A0A077Z3Y6_TRITR Loading...

Lig chan and Lig chan-Glu bd domain containing pr otein

AlphaFold DB , UniProt , Accession A0A077Z3Y6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,289 aa.

						>A0A077Z3Y6_TRITR|A0A077Z3Y6
MKEHRKGTVMLKTILKYHGWSEAVQVKNITGAISESALRSAIDIKRNASYVIISFISNQITRKSLLALSRKLNLWVVQIAEEFTATTNWKNDRPNEYVVITTPWTTMLGALISVLTDANMANLTIVYDEEYESLAKQLPIELRRNAPVQLIMLGSLFKRRGSNTFCLRVTFASNIVIMTNTEAAEQFLGEITNCASILEKFVFTKDCTSSSNLTTYADVLWIRPHFVKIPTCIDAVISWTVAGRLQNGLFIIGKELEIAFYDDIARLVVSLTEAPARSDSISEAVYSCLVKKPTMDSFCNESKRAPFVYRRDFENGTWLYYGYCIDILETLSRNLNFTYEIYEVEDGEYGRKNAIGRMNGLAAELFNGDANIALASFVPTAEREALVDFSCPFHEVTGLAVLLKDHARESALILLTIATWRVWLAVIAAASIAALLSFRNVAKPITQLEQLFQQNGIKYSVVADSSAGYYFSRLAELEDLMDLQWRTSMIKSSFDLESKVMLGYWDYPFQISYRQLWKLMRDVGMPTTIDEAVSRVLASPSPTHGFAFIATEPTVEFLEMSDCNLRMVKSKLFARHYAIGVQQGSELGPLVSKQILLLKADGFMGQLKKKWWNESGKGSCEYVEPKSEEVDMYDLVPVFSVLVTEGKKEHDVWIHQIQVIAQYQAQDALETEFMVPHANETLSQKAVSNTAVKSTALVLISFVLNSTAQMALRSYAQRKNICMIQLNFECKETQNHLQDDADDQFLLIQPPWITMANFLSSLTEEMDQSDIVILYDEAHWFLTDTLWIRPSPRRSIKKLDAFIEWSDKMKISKTVVDIGLELEIAFHWDLVSTALFLHSFPVHSRSMRRMAISCMNGTTKSGNMTYAEELCNQKPFFGSYRLLQSGTLKQDILLRIYRVIGTEQNMDMFLVANWTLENGITQFYDFGLSSAIKFARHYRIAAVEEAPFVEKYTLFSDSKPRYQGYCIDLLQLIATALNFTYEIYILPESSFGYVNAIGRVDGLVSELHNGNAHIALAPIETSFDRELFVDFTYPLNEARGMAVLIKQQQQIEPPKTLLTIVDWSVWLCLLIALCVTSSGRLPRNMSGRIIVTAWWLFTFSIIASYTANLAARLKYLDPQSELETLDQLLRQTKILYSAVSGTAEARYFQRLYEIETEFYRRWSKTVESPSLTPSERVDKSFWDYPFQLKYASVWRFMNEVGMLRSYKEGIERVLQSDRHNRSFALIGKQQIGWLKILQLMQTQELKRLEEKWWAKKATVENCEPINDDIESVSMEEIYGFNIGGGKGIM
					

Structure Viewer

Loading PAE data...

(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	34.5	Very low	60.9	Low	162 Å²	162	80.3 Å²	80.3	80%	0.798	37%	0.369	S	S	*	.				0	-61.8	0	-86.3	-119.7	-97.4	0	0	114	E3 H4 T30	M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3Å; M1-H4 PolarHBondContact O-N 3.09Å; M1-T30 HydrophobicContact CG-CG2 4.42Å; M1-T30 HydrophobicContact SD-CG2 3.96Å
2	K	42.1	Very low	62.3	Low	180 Å²	180	82.6 Å²	82.6	78%	0.783	38%	0.378	S	S	*	.	H	α-helix	trans	-59.9	-37.3	176.6	-83.8	-178.3	178.8	173.5	0	112.4	R5 K6	K2-R5 PolarHBondContact O-N 3.26Å; K2-K6 PolarHBondContact O-N 3.08Å
3	E	50.4	Low	63.1	Low	68 Å²	68	82.8 Å²	82.8	32%	0.318	39%	0.389	S	S	.	.	H	α-helix	trans	-65.2	-49.4	178.6	-68	177.9	163.9	0	0	112.3	M1 R5 K6 G7 R223	M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3Å; E3-R5 PolarHBondContact O-N 2.67Å; E3-R5 VanDerWaalsContact O-N 3.1Å; E3-K6 WeakPolarHBondContact O-CA 3.24Å; E3-K6 WeakPolarHBondContact O-CB 3.38Å; E3-K6 PolarHBondContact O-N 2.89Å; E3-G7 PolarHBondContact O-N 2.77Å; E3-R223 IonicContact OE1-CZ 3Å; E3-R223 IonicContact OE1-NH1 3.42Å; E3-R223 PolarHBondContact OE1-NH1 2.84Å; E3-R223 IonicContact OE1-NH2 2.68Å
4	H	55.4	Low	63.6	Low	13 Å²	13	78.5 Å²	78.5	6%	0.06	37%	0.369	C	S	.	.	H	α-helix	trans	-53.5	-35.8	176.2	-59.7	-36.7	0	0	0	113.8	M1 T8 N28 F55 E81	M1-H4 PolarHBondContact O-N 3.09Å; H4-T8 VanDerWaalsContact O-CB 3.31Å; H4-T8 WeakPolarHBondContact O-CB 3.16Å; H4-T8 PolarHBondContact O-N 2.9Å; H4-T8 PolarHBondContact O-OG1 3.31Å; H4-N28 VanDerWaalsContact CB-ND2 3.28Å; H4-N28 WeakPolarHBondContact CB-ND2 3.41Å; H4-F55 HydrophobicContact CB-CB 4.29Å; H4-E81 IonicContact CE1-OE1 2.9Å; H4-E81 PolarHBondContact CE1-OE1 3.04Å; H4-E81 IonicContact CE1-OE2 3.35Å; H4-E81 PolarHBondContact CE1-OE2 3.05Å; H4-E81 VanDerWaalsContact ND1-CD 3.3Å; H4-E81 IonicContact ND1-OE1 3.54Å; H4-E81 PolarHBondContact ND1-OE1 2.73Å; H4-E81 IonicContact ND1-OE2 3.36Å; H4-E81 PolarHBondContact ND1-OE2 2.85Å; H4-E81 IonicContact NE2-OE2 3.01Å
5	R	60.5	Low	64.3	Low	193 Å²	193	73.7 Å²	73.7	73%	0.728	35%	0.347	S	S	*	.	H	α-helix	trans	-65.4	-40.5	175.1	-89.2	-172.3	179.4	-177.5	0.5	112	K2 E3 V9	K2-R5 PolarHBondContact O-N 3.26Å; E3-R5 PolarHBondContact O-N 2.67Å; E3-R5 VanDerWaalsContact O-N 3.1Å; R5-V9 VanDerWaalsContact O-CG2 3.3Å; R5-V9 WeakPolarHBondContact O-CG2 3.49Å; R5-V9 PolarHBondContact O-N 2.68Å; R5-V9 VanDerWaalsContact O-N 3.14Å
6	K	65.1	Low	65	Low	114 Å²	114	78.9 Å²	78.9	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-68.1	-48.8	178.7	-70.2	-176.2	177.7	-179	0	111.6	K2 E3 T8 V9 M10	K2-K6 PolarHBondContact O-N 3.08Å; E3-K6 WeakPolarHBondContact O-CA 3.24Å; E3-K6 WeakPolarHBondContact O-CB 3.38Å; E3-K6 PolarHBondContact O-N 2.89Å; K6-T8 VanDerWaalsContact C-N 3.27Å; K6-T8 PolarHBondContact O-N 3.21Å; K6-V9 PolarHBondContact O-N 2.75Å; K6-M10 PolarHBondContact O-N 3.16Å
7	G	67.6	Low	65.3	Low	1 Å²	1	85.8 Å²	85.8	1%	0.01	39%	0.392	C	S	.	.	H	α-helix	trans	-58.7	-39.4	176.6	0	0	0	0	0	112.6	E3 V9 M10 L11 Y261	E3-G7 PolarHBondContact O-N 2.77Å; G7-V9 PolarHBondContact O-N 3.42Å; G7-M10 PolarHBondContact O-N 3.44Å; G7-L11 WeakPolarHBondContact O-CB 3.43Å; G7-L11 PolarHBondContact O-N 3.1Å; G7-Y261 WeakPolarHBondContact CA-OH 3.47Å
8	T	72.5	Confident	65.3	Low	13 Å²	13	85.1 Å²	85.1	8%	0.08	39%	0.388	C	S	.	.	H	α-helix	trans	-60.5	-44.1	173.4	-60.1	0	0	0	0	112.1	H4 K6 K12 V26 F55	H4-T8 VanDerWaalsContact O-CB 3.31Å; H4-T8 WeakPolarHBondContact O-CB 3.16Å; H4-T8 PolarHBondContact O-N 2.9Å; H4-T8 PolarHBondContact O-OG1 3.31Å; K6-T8 VanDerWaalsContact C-N 3.27Å; K6-T8 PolarHBondContact O-N 3.21Å; T8-K12 HydrophobicContact CG2-CD 4.19Å; T8-K12 WeakPolarHBondContact O-CB 3.45Å; T8-K12 VanDerWaalsContact O-CG 3.23Å; T8-K12 WeakPolarHBondContact O-CG 3.46Å; T8-K12 PolarHBondContact O-N 2.85Å; T8-K12 VanDerWaalsContact O-N 3.09Å; T8-V26 HydrophobicContact CG2-CG1 3.89Å; T8-F55 WeakPolarHBondContact OG1-CD2 3.4Å; T8-F55 WeakPolarHBondContact OG1-CE2 3.46Å
9	V	72.4	Confident	65.4	Low	91 Å²	91	83.8 Å²	83.8	55%	0.552	40%	0.401	S	S	*	.	H	α-helix	trans	-67.3	-43.4	179.6	170.5	0	0	0	0	110.8	R5 K6 G7 K12 T13	R5-V9 VanDerWaalsContact O-CG2 3.3Å; R5-V9 WeakPolarHBondContact O-CG2 3.49Å; R5-V9 PolarHBondContact O-N 2.68Å; R5-V9 VanDerWaalsContact O-N 3.14Å; K6-V9 PolarHBondContact O-N 2.75Å; G7-V9 PolarHBondContact O-N 3.42Å; V9-K12 PolarHBondContact O-N 3.38Å; V9-T13 WeakPolarHBondContact O-CB 3.28Å; V9-T13 PolarHBondContact O-N 3.37Å; V9-T13 PolarHBondContact O-OG1 3.08Å
10	M	71.6	Confident	65.5	Low	48 Å²	48	83.7 Å²	83.7	24%	0.236	40%	0.396	C	S	.	.	H	α-helix	trans	-63.1	-49.7	-179.3	-169.2	156.6	178.2	0	0	111.6	K6 G7 K12 T13 I14 E257 I258 Y261	K6-M10 PolarHBondContact O-N 3.16Å; G7-M10 PolarHBondContact O-N 3.44Å; M10-K12 PolarHBondContact O-N 3.24Å; M10-T13 WeakPolarHBondContact O-CA 3.39Å; M10-T13 WeakPolarHBondContact O-CB 3.33Å; M10-T13 PolarHBondContact O-N 2.75Å; M10-I14 HydrophobicContact CG-CD1 4.16Å; M10-I14 WeakPolarHBondContact O-CG1 3.31Å; M10-I14 PolarHBondContact O-N 3.48Å; M10-E257 HydrophobicContact CE-CG 4.22Å; M10-E257 HydrophobicContact SD-CG 4.1Å; M10-I258 HydrophobicContact CE-CB 4.01Å; M10-I258 HydrophobicContact CE-CD1 4.49Å; M10-I258 HydrophobicContact CE-CG1 3.25Å; M10-Y261 HydrophobicContact CB-CD2 4.2Å; M10-Y261 HydrophobicContact CB-CE2 4.41Å; M10-Y261 HydrophobicContact CE-CD2 4.24Å; M10-Y261 HydrophobicContact CG-CD2 3.84Å; M10-Y261 HydrophobicContact CG-CE2 4.42Å; M10-Y261 HydrophobicContact CG-CG 4.48Å; M10-Y261 HydrophobicContact SD-CD2 3.75Å; M10-Y261 HydrophobicContact SD-CE2 4.06Å
11	L	77.5	Confident	65.2	Low	0 Å²	0	83.7 Å²	83.7	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-63.7	-40.2	178.2	-171.3	64	0	0	0	112.4	G7 T13 I14 L15 V26 I53 I79 Y261 I264 A265	G7-L11 WeakPolarHBondContact O-CB 3.43Å; G7-L11 PolarHBondContact O-N 3.1Å; L11-T13 VanDerWaalsContact C-N 3.26Å; L11-T13 PolarHBondContact O-N 3.3Å; L11-I14 PolarHBondContact O-N 3.41Å; L11-L15 HydrophobicContact CG-CD1 4.14Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 3.5Å; L11-V26 HydrophobicContact CD2-CG1 4.22Å; L11-V26 HydrophobicContact CD2-CG2 4.35Å; L11-I53 HydrophobicContact CD2-CB 4.33Å; L11-I53 HydrophobicContact CD2-CD1 3.53Å; L11-I53 HydrophobicContact CD2-CG2 3.72Å; L11-I53 HydrophobicContact CG-CD1 4.31Å; L11-I79 HydrophobicContact CD2-CD1 4.22Å; L11-Y261 HydrophobicContact CB-CD1 4.15Å; L11-Y261 HydrophobicContact CD1-CD1 4.16Å; L11-Y261 VanDerWaalsContact CD1-O 3.32Å; L11-Y261 WeakPolarHBondContact CD1-O 3.48Å; L11-I264 HydrophobicContact CD1-CB 4.17Å; L11-I264 HydrophobicContact CD1-CG2 3.88Å; L11-I264 HydrophobicContact CD2-CG2 4.11Å; L11-A265 HydrophobicContact CD1-CB 4.45Å
12	K	77.7	Confident	66.6	Low	108 Å²	108	84.3 Å²	84.3	47%	0.47	41%	0.407	S	S	.	.	H	α-helix	trans	-61.3	-36.1	172.7	-78.9	-178.9	179.1	-171.5	0	112.4	T8 V9 M10 K16 V26	T8-K12 HydrophobicContact CG2-CD 4.19Å; T8-K12 WeakPolarHBondContact O-CB 3.45Å; T8-K12 VanDerWaalsContact O-CG 3.23Å; T8-K12 WeakPolarHBondContact O-CG 3.46Å; T8-K12 PolarHBondContact O-N 2.85Å; T8-K12 VanDerWaalsContact O-N 3.09Å; V9-K12 PolarHBondContact O-N 3.38Å; M10-K12 PolarHBondContact O-N 3.24Å; K12-K16 WeakPolarHBondContact O-CB 3.46Å; K12-K16 PolarHBondContact O-N 2.9Å; K12-V26 WeakPolarHBondContact CE-O 3.29Å; K12-V26 HydrophobicContact CG-CB 3.98Å; K12-V26 HydrophobicContact CG-CG1 4.49Å; K12-V26 HydrophobicContact CG-CG2 4.02Å
13	T	72.8	Confident	67.8	Low	86 Å²	86	76.6 Å²	76.6	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-69.4	-43.3	178.6	-54.2	0	0	0	0	110.7	V9 M10 L11 K16 Y17	V9-T13 WeakPolarHBondContact O-CB 3.28Å; V9-T13 PolarHBondContact O-N 3.37Å; V9-T13 PolarHBondContact O-OG1 3.08Å; M10-T13 WeakPolarHBondContact O-CA 3.39Å; M10-T13 WeakPolarHBondContact O-CB 3.33Å; M10-T13 PolarHBondContact O-N 2.75Å; L11-T13 VanDerWaalsContact C-N 3.26Å; L11-T13 PolarHBondContact O-N 3.3Å; T13-K16 PolarHBondContact O-N 2.91Å; T13-Y17 WeakPolarHBondContact O-CB 3.22Å; T13-Y17 PolarHBondContact O-N 3.37Å
14	I	70.7	Confident	68.9	Low	22 Å²	22	74 Å²	74	11%	0.113	37%	0.365	C	S	.	.	H	α-helix	trans	-66	-45.2	177	-66.5	165.6	0	0	0	111	M10 L11 K16 Y17 H18 A265	M10-I14 HydrophobicContact CG-CD1 4.16Å; M10-I14 WeakPolarHBondContact O-CG1 3.31Å; M10-I14 PolarHBondContact O-N 3.48Å; L11-I14 PolarHBondContact O-N 3.41Å; I14-K16 VanDerWaalsContact C-N 3.3Å; I14-K16 PolarHBondContact O-N 3.09Å; I14-Y17 WeakPolarHBondContact O-CB 3.39Å; I14-Y17 PolarHBondContact O-N 3.37Å; I14-Y17 VanDerWaalsContact O-N 3.15Å; I14-H18 PolarHBondContact O-CD2 2.96Å; I14-H18 VanDerWaalsContact O-CD2 3.25Å; I14-H18 PolarHBondContact O-N 3.33Å; I14-A265 HydrophobicContact CG2-CB 3.62Å
15	L	73.7	Confident	69.9	Low	6 Å²	6	74.7 Å²	74.7	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-39.1	174.7	-73.9	167.5	0	0	0	111.9	L11 H18 G19 W20 V24 V26 I53 A265 V268	L11-L15 HydrophobicContact CG-CD1 4.14Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 3.5Å; L15-H18 PolarHBondContact O-N 3.12Å; L15-G19 PolarHBondContact O-N 3.14Å; L15-G19 VanDerWaalsContact O-N 3.17Å; L15-W20 HydrophobicContact CD2-CB 4.48Å; L15-W20 PolarHBondContact O-N 3.31Å; L15-V24 HydrophobicContact CD1-CB 4.29Å; L15-V24 HydrophobicContact CD1-CG1 3.77Å; L15-V24 HydrophobicContact CD2-CG2 4.42Å; L15-V26 HydrophobicContact CD1-CG2 3.65Å; L15-I53 HydrophobicContact CD1-CD1 4.25Å; L15-A265 HydrophobicContact CD2-CB 4.12Å; L15-V268 HydrophobicContact CD2-CG1 4.37Å
16	K	75.2	Confident	70.7	Confident	157 Å²	157	66 Å²	66	68%	0.683	34%	0.336	S	S	*	.	H	α-helix	trans	-65.4	-39.7	174.6	-174	-179.5	179.6	-175.3	0	111.6	K12 T13 I14 H18 G19	K12-K16 WeakPolarHBondContact O-CB 3.46Å; K12-K16 PolarHBondContact O-N 2.9Å; T13-K16 PolarHBondContact O-N 2.91Å; I14-K16 VanDerWaalsContact C-N 3.3Å; I14-K16 PolarHBondContact O-N 3.09Å; K16-H18 VanDerWaalsContact C-N 3.34Å; K16-G19 PolarHBondContact O-N 3.33Å; K16-G19 VanDerWaalsContact O-N 3.1Å
17	Y	70.2	Confident	71.2	Confident	197 Å²	197	64.1 Å²	64.1	77%	0.773	33%	0.328	S	S	*	.	H	α-helix	trans	-61.4	-42.7	176	177.3	-95.2	0	0	0	111.6	T13 I14 G19	T13-Y17 WeakPolarHBondContact O-CB 3.22Å; T13-Y17 PolarHBondContact O-N 3.37Å; I14-Y17 WeakPolarHBondContact O-CB 3.39Å; I14-Y17 PolarHBondContact O-N 3.37Å; I14-Y17 VanDerWaalsContact O-N 3.15Å; Y17-G19 PolarHBondContact O-N 3.41Å
18	H	65.7	Low	71.5	Confident	72 Å²	72	66.5 Å²	66.5	33%	0.333	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-1.5	175	-67.3	-60.8	0	0	0	113.8	I14 L15 K16 W20 D262	I14-H18 PolarHBondContact O-CD2 2.96Å; I14-H18 VanDerWaalsContact O-CD2 3.25Å; I14-H18 PolarHBondContact O-N 3.33Å; L15-H18 PolarHBondContact O-N 3.12Å; K16-H18 VanDerWaalsContact C-N 3.34Å; H18-W20 PolarHBondContact O-NE1 2.9Å; H18-D262 IonicContact CE1-OD1 3.82Å; H18-D262 IonicContact NE2-OD1 2.85Å; H18-D262 PolarHBondContact NE2-OD1 2.94Å; H18-D262 VanDerWaalsContact NE2-OD1 3.08Å
19	G	67.7	Low	71.5	Confident	61 Å²	61	66.4 Å²	66.4	63%	0.629	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	8.4	177.6	0	0	0	0	0	116.2	L15 K16 Y17	L15-G19 PolarHBondContact O-N 3.14Å; L15-G19 VanDerWaalsContact O-N 3.17Å; K16-G19 PolarHBondContact O-N 3.33Å; K16-G19 VanDerWaalsContact O-N 3.1Å; Y17-G19 PolarHBondContact O-N 3.41Å
20	W	65.8	Low	71.3	Confident	81 Å²	81	65 Å²	65	31%	0.307	33%	0.332	S	S	.	.			trans	-104.8	36.7	-166.5	-70.5	97.3	0	0	0	115.6	L15 H18 E22 A23 V269 E273	L15-W20 HydrophobicContact CD2-CB 4.48Å; L15-W20 PolarHBondContact O-N 3.31Å; H18-W20 PolarHBondContact O-NE1 2.9Å; W20-E22 VanDerWaalsContact C-N 3.34Å; W20-E22 PolarHBondContact O-N 3.38Å; W20-A23 HydrophobicContact CE3-CB 4.22Å; W20-V269 HydrophobicContact CG-CG2 4.29Å; W20-V269 HydrophobicContact CZ2-CG1 4.29Å; W20-E273 HydrophobicContact CH2-CG 4.24Å
21	S	59.4	Low	71.1	Confident	85 Å²	85	64.5 Å²	64.5	59%	0.594	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-18	-176.2	68.3	0	0	0	0	115.5
22	E	64.5	Low	70.9	Confident	175 Å²	175	67.4 Å²	67.4	82%	0.818	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-32.2	-172.9	-61.5	-165.9	165.4	0	0	113.9	W20	W20-E22 VanDerWaalsContact C-N 3.34Å; W20-E22 PolarHBondContact O-N 3.38Å
23	A	66.6	Low	70.8	Confident	18 Å²	18	64.3 Å²	64.3	15%	0.149	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-15.9	-177.6	0	0	0	0	0	113.8	W20 T272	W20-A23 HydrophobicContact CE3-CB 4.22Å; A23-T272 HydrophobicContact CB-CG2 4.16Å
24	V	73.7	Confident	71	Confident	12 Å²	12	63.1 Å²	63.1	7%	0.073	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.6	-168.6	-175.6	0	0	0	0	111.3	L15 V26 I53 V268 T272	L15-V24 HydrophobicContact CD1-CB 4.29Å; L15-V24 HydrophobicContact CD1-CG1 3.77Å; L15-V24 HydrophobicContact CD2-CG2 4.42Å; V24-V26 HydrophobicContact CG1-CG2 4.35Å; V24-I53 HydrophobicContact CG1-CD1 3.87Å; V24-I53 HydrophobicContact CG1-CG1 4.13Å; V24-V268 HydrophobicContact CB-CG1 4.2Å; V24-V268 HydrophobicContact CG1-CG1 3.76Å; V24-V268 HydrophobicContact CG2-CG1 3.33Å; V24-T272 HydrophobicContact CG2-CG2 4.46Å
25	Q	76.6	Confident	71.3	Confident	29 Å²	29	64.5 Å²	64.5	14%	0.136	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.7	172.7	-72.8	-170.5	15.7	0	0	111.8	D43 V51 I52 I53	Q25-D43 PolarHBondContact NE2-O 3.5Å; Q25-V51 PolarHBondContact N-O 2.86Å; Q25-I52 WeakPolarHBondContact O-CA 3.5Å; Q25-I53 PolarHBondContact O-N 3.29Å
26	V	76.9	Confident	71.4	Confident	9 Å²	9	68.7 Å²	68.7	6%	0.055	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.3	171.2	-168.1	0	0	0	0	109.7	T8 L11 K12 L15 V24 I53 F55	T8-V26 HydrophobicContact CG2-CG1 3.89Å; L11-V26 HydrophobicContact CD2-CG1 4.22Å; L11-V26 HydrophobicContact CD2-CG2 4.35Å; K12-V26 WeakPolarHBondContact CE-O 3.29Å; K12-V26 HydrophobicContact CG-CB 3.98Å; K12-V26 HydrophobicContact CG-CG1 4.49Å; K12-V26 HydrophobicContact CG-CG2 4.02Å; L15-V26 HydrophobicContact CD1-CG2 3.65Å; V24-V26 HydrophobicContact CG1-CG2 4.35Å; V26-I53 HydrophobicContact CG1-CB 4.32Å; V26-I53 HydrophobicContact CG2-CB 4.38Å; V26-I53 HydrophobicContact CG2-CD1 4.17Å; V26-F55 HydrophobicContact CG1-CE2 3.92Å
27	K	76.9	Confident	71.5	Confident	75 Å²	75	62.9 Å²	62.9	33%	0.326	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.9	-178.8	-66.8	-77.4	175.9	162.4	0	110.3	I29 A41 I53 S54 F55	K27-I29 HydrophobicContact CB-CD1 4.42Å; K27-I29 HydrophobicContact CB-CG1 4.14Å; K27-A41 WeakPolarHBondContact CE-O 3.47Å; K27-A41 PolarHBondContact NZ-O 3.13Å; K27-I53 PolarHBondContact N-O 3.3Å; K27-S54 WeakPolarHBondContact O-CA 3.39Å; K27-F55 PolarHBondContact O-N 3.37Å
28	N	74	Confident	71.7	Confident	51 Å²	51	53.5 Å²	53.5	27%	0.273	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.3	171.4	179.7	-1	0	0	0	107.7	H4	H4-N28 VanDerWaalsContact CB-ND2 3.28Å; H4-N28 WeakPolarHBondContact CB-ND2 3.41Å
29	I	71.7	Confident	72.1	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.062	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	101.6	-171.1	-49.1	-174.2	0	0	0	109.5	K27 I33 L38 S54 F55 T61	K27-I29 HydrophobicContact CB-CD1 4.42Å; K27-I29 HydrophobicContact CB-CG1 4.14Å; I29-I33 HydrophobicContact CG2-CD1 3.3Å; I29-I33 HydrophobicContact CG2-CG1 3.94Å; I29-L38 HydrophobicContact CD1-CD2 3.63Å; I29-S54 WeakPolarHBondContact CD1-OG 3.27Å; I29-F55 PolarHBondContact N-O 3.22Å; I29-T61 HydrophobicContact CB-CG2 4.17Å; I29-T61 HydrophobicContact CG2-CG2 3.44Å; I29-T61 VanDerWaalsContact CG2-CG2 3.44Å
30	T	68.3	Low	72.4	Confident	62 Å²	62	58.1 Å²	58.1	38%	0.38	34%	0.337	S	S	.	.			trans	-103.4	138.8	179.8	55.6	0	0	0	0	111.4	M1	M1-T30 HydrophobicContact CG-CG2 4.42Å; M1-T30 HydrophobicContact SD-CG2 3.96Å
31	G	68.8	Low	72.6	Confident	37 Å²	37	56.5 Å²	56.5	38%	0.381	34%	0.34	S	S	.	.	S	Bend	trans	89.9	178.3	-179.5	0	0	0	0	0	113.4	N58 T61	G31-N58 WeakPolarHBondContact O-CB 3.32Å; G31-T61 PolarHBondContact O-OG1 3.41Å
32	A	72.8	Confident	73.2	Confident	60 Å²	60	52.8 Å²	52.8	50%	0.496	31%	0.314	S	S	.	.			trans	-85.7	109.9	176.5	0	0	0	0	0	109.7	I60 T61	A32-I60 HydrophobicContact CB-CB 4.06Å; A32-I60 HydrophobicContact CB-CD1 3.8Å; A32-I60 HydrophobicContact CB-CG2 4.17Å; A32-T61 WeakPolarHBondContact CA-OG1 3.5Å
33	I	74.6	Confident	73.2	Confident	44 Å²	44	48.7 Å²	48.7	23%	0.226	30%	0.298	C	S	.	.			trans	-112.2	130.7	-178.7	-53	-162	0	0	0	109.1	I29 A37 L38 T61 S64	I29-I33 HydrophobicContact CG2-CD1 3.3Å; I29-I33 HydrophobicContact CG2-CG1 3.94Å; I33-A37 HydrophobicContact CG2-CB 3.47Å; I33-A37 VanDerWaalsContact CG2-CB 3.47Å; I33-L38 HydrophobicContact CB-CD1 4.23Å; I33-L38 HydrophobicContact CB-CG 4.33Å; I33-L38 HydrophobicContact CG2-CB 4.44Å; I33-L38 HydrophobicContact CG2-CD1 4.19Å; I33-L38 HydrophobicContact CG2-CG 3.9Å; I33-T61 HydrophobicContact CB-CG2 4.38Å; I33-T61 PolarHBondContact N-OG1 3.3Å; I33-S64 PolarHBondContact O-OG 3.46Å
34	S	78.3	Confident	73	Confident	60 Å²	60	51.3 Å²	51.3	42%	0.42	31%	0.308	S	S	.	.			trans	-69.7	158.6	174.2	65.1	0	0	0	0	111.6	S36 A37 L38	S34-S36 VanDerWaalsContact C-N 3.26Å; S34-S36 PolarHBondContact O-N 3.41Å; S34-S36 PolarHBondContact OG-OG 3.45Å; S34-A37 PolarHBondContact O-N 2.96Å; S34-A37 VanDerWaalsContact O-N 3.13Å; S34-A37 WeakPolarHBondContact OG-CB 3.41Å; S34-A37 PolarHBondContact OG-N 2.91Å; S34-L38 PolarHBondContact O-N 2.85Å
35	E	75.7	Confident	72.2	Confident	52 Å²	52	57.3 Å²	57.3	24%	0.243	33%	0.334	C	S	.	.	H	α-helix	trans	-55.8	-39.8	177	-163.4	-162.1	134.4	0	0	112.5	L38 R39 S64 L68 K71	E35-L38 PolarHBondContact O-N 3.3Å; E35-R39 PolarHBondContact O-N 2.98Å; E35-S64 PolarHBondContact N-OG 2.94Å; E35-L68 HydrophobicContact CG-CD1 4.19Å; E35-K71 VanDerWaalsContact OE1-CD 3.22Å; E35-K71 WeakPolarHBondContact OE1-CD 3.49Å; E35-K71 WeakPolarHBondContact OE1-CE 3.37Å; E35-K71 IonicContact OE1-NZ 3Å; E35-K71 PolarHBondContact OE1-NZ 2.81Å; E35-K71 IonicContact OE2-NZ 2.9Å; E35-K71 PolarHBondContact OE2-NZ 3.43Å
36	S	76.3	Confident	71	Confident	93 Å²	93	67.7 Å²	67.7	65%	0.65	37%	0.371	S	S	*	.	H	α-helix	trans	-63.5	-42.2	177.4	52.9	0	0	0	0	112.7	S34 R39 S40	S34-S36 VanDerWaalsContact C-N 3.26Å; S34-S36 PolarHBondContact O-N 3.41Å; S34-S36 PolarHBondContact OG-OG 3.45Å; S36-R39 PolarHBondContact O-N 3.35Å; S36-S40 PolarHBondContact O-N 3.23Å
37	A	76.7	Confident	69.7	Low	35 Å²	35	75.2 Å²	75.2	29%	0.289	41%	0.411	S	S	.	.	H	α-helix	trans	-70.9	-37.7	177.7	0	0	0	0	0	111.7	I33 S34 R39 S40 A41	I33-A37 HydrophobicContact CG2-CB 3.47Å; I33-A37 VanDerWaalsContact CG2-CB 3.47Å; S34-A37 PolarHBondContact O-N 2.96Å; S34-A37 VanDerWaalsContact O-N 3.13Å; S34-A37 WeakPolarHBondContact OG-CB 3.41Å; S34-A37 PolarHBondContact OG-N 2.91Å; A37-R39 VanDerWaalsContact C-N 3.33Å; A37-R39 PolarHBondContact O-N 2.95Å; A37-S40 PolarHBondContact O-N 3.25Å; A37-S40 PolarHBondContact O-OG 2.85Å; A37-A41 PolarHBondContact O-N 3.06Å
38	L	74.5	Confident	68.3	Low	0 Å²	0	73.4 Å²	73.4	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-59.3	-43.1	172.6	-99	145	0	0	0	112.2	I29 I33 S34 E35 S40 A41 I42 T61 L65	I29-L38 HydrophobicContact CD1-CD2 3.63Å; I33-L38 HydrophobicContact CB-CD1 4.23Å; I33-L38 HydrophobicContact CB-CG 4.33Å; I33-L38 HydrophobicContact CG2-CB 4.44Å; I33-L38 HydrophobicContact CG2-CD1 4.19Å; I33-L38 HydrophobicContact CG2-CG 3.9Å; S34-L38 PolarHBondContact O-N 2.85Å; E35-L38 PolarHBondContact O-N 3.3Å; L38-S40 PolarHBondContact O-N 3.22Å; L38-A41 PolarHBondContact O-N 3.34Å; L38-I42 HydrophobicContact CD2-CD1 4.1Å; L38-I42 PolarHBondContact O-N 3.46Å; L38-I42 VanDerWaalsContact O-N 3.12Å; L38-T61 HydrophobicContact CD1-CG2 4.23Å; L38-L65 HydrophobicContact CD2-CB 4.31Å; L38-L65 HydrophobicContact CD2-CD1 3.56Å
39	R	74.4	Confident	67.3	Low	130 Å²	130	75 Å²	75	49%	0.491	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-31.8	177	-161.6	173.1	-172.3	166.2	2.6	112.9	E35 S36 A37 I44 L68	E35-R39 PolarHBondContact O-N 2.98Å; S36-R39 PolarHBondContact O-N 3.35Å; A37-R39 VanDerWaalsContact C-N 3.33Å; A37-R39 PolarHBondContact O-N 2.95Å; R39-I44 HydrophobicContact CG-CD1 3.91Å; R39-L68 HydrophobicContact CB-CD1 3.87Å; R39-L68 HydrophobicContact CG-CD1 4.08Å
40	S	73.3	Confident	66.9	Low	101 Å²	101	75.7 Å²	75.7	71%	0.706	43%	0.428	S	S	*	.	H	α-helix	trans	-77.4	-24.5	173.6	71.7	0	0	0	0	113.5	S36 A37 L38	S36-S40 PolarHBondContact O-N 3.23Å; A37-S40 PolarHBondContact O-N 3.25Å; A37-S40 PolarHBondContact O-OG 2.85Å; L38-S40 PolarHBondContact O-N 3.22Å
41	A	70.2	Confident	66.6	Low	46 Å²	46	72.8 Å²	72.8	38%	0.38	41%	0.41	S	S	.	.	H	α-helix	trans	-84.2	-22.5	-178.7	0	0	0	0	0	113.5	K27 A37 L38	K27-A41 WeakPolarHBondContact CE-O 3.47Å; K27-A41 PolarHBondContact NZ-O 3.13Å; A37-A41 PolarHBondContact O-N 3.06Å; L38-A41 PolarHBondContact O-N 3.34Å
42	I	71.4	Confident	66.4	Low	8 Å²	8	71 Å²	71	4%	0.041	39%	0.392	C	S	.	.	S	Bend	trans	-97.5	125.2	179.4	-66.8	159	0	0	0	108.3	L38 I44 I52 L65 L68	L38-I42 HydrophobicContact CD2-CD1 4.1Å; L38-I42 PolarHBondContact O-N 3.46Å; L38-I42 VanDerWaalsContact O-N 3.12Å; I42-I44 HydrophobicContact CG2-CG1 4.13Å; I42-I44 PolarHBondContact O-N 3.11Å; I42-I52 HydrophobicContact CD1-CD1 3.71Å; I42-I52 HydrophobicContact CG1-CD1 4.09Å; I42-I52 HydrophobicContact CG2-CD1 3.73Å; I42-L65 HydrophobicContact CD1-CD1 3.97Å; I42-L68 HydrophobicContact CD1-CD2 3.26Å
43	D	66.1	Low	66	Low	89 Å²	89	68.2 Å²	68.2	48%	0.476	37%	0.368	S	S	.	.			trans	-85	100.2	-177	-170.3	8.1	0	0	0	109.3	Q25 K45	Q25-D43 PolarHBondContact NE2-O 3.5Å; D43-K45 PolarHBondContact O-N 3.34Å
44	I	62.3	Low	65.7	Low	73 Å²	73	66.1 Å²	66.1	37%	0.374	36%	0.357	S	S	.	.			trans	-92.2	75.1	-175.8	-51.1	159.8	0	0	0	108.5	R39 I42 L72	R39-I44 HydrophobicContact CG-CD1 3.91Å; I42-I44 HydrophobicContact CG2-CG1 4.13Å; I42-I44 PolarHBondContact O-N 3.11Å; I44-L72 HydrophobicContact CD1-CD1 3.45Å; I44-L72 VanDerWaalsContact CD1-CD1 3.45Å; I44-L72 HydrophobicContact CD1-CD2 4.38Å; I44-L72 HydrophobicContact CG1-CD1 4.11Å
45	K	57.3	Low	65.1	Low	138 Å²	138	63.3 Å²	63.3	60%	0.6	34%	0.338	S	S	*	.			trans	-79.6	134.3	167.8	-74.5	-175.2	-178.2	179	0	109.7	D43 N47 Y50	D43-K45 PolarHBondContact O-N 3.34Å; K45-N47 VanDerWaalsContact C-N 3.25Å; K45-N47 PolarHBondContact O-N 3.29Å; K45-Y50 VanDerWaalsContact CB-OH 3.31Å; K45-Y50 WeakPolarHBondContact CB-OH 3.24Å; K45-Y50 WeakPolarHBondContact O-CE2 3.38Å; K45-Y50 VanDerWaalsContact O-CZ 3.31Å; K45-Y50 PolarHBondContact O-OH 2.96Å
46	R	50.2	Low	64.6	Low	247 Å²	247	61.1 Å²	61.1	93%	0.932	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-6.1	-162.1	-83.1	-176.8	174.9	178.5	-1.9	118.8
47	N	49.4	Very low	63.7	Low	166 Å²	166	59.2 Å²	59.2	89%	0.888	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	12.1	-165	-88.6	17.2	0	0	0	117.7	K45	K45-N47 VanDerWaalsContact C-N 3.25Å; K45-N47 PolarHBondContact O-N 3.29Å
48	A	48	Very low	63.4	Low	38 Å²	38	59.8 Å²	59.8	31%	0.314	31%	0.313	S	S	.	.			trans	-119.5	142.4	173.2	0	0	0	0	0	112.5	Y50	A48-Y50 VanDerWaalsContact C-N 3.33Å; A48-Y50 HydrophobicContact CB-CD1 4.12Å; A48-Y50 HydrophobicContact CB-CD2 4.37Å; A48-Y50 HydrophobicContact CB-CE1 3.67Å; A48-Y50 HydrophobicContact CB-CE2 3.92Å; A48-Y50 HydrophobicContact CB-CG 4.45Å; A48-Y50 WeakPolarHBondContact O-CD2 3.31Å; A48-Y50 WeakPolarHBondContact O-CE2 3.24Å; A48-Y50 PolarHBondContact O-N 2.73Å
49	S	53.8	Low	63.3	Low	85 Å²	85	63.2 Å²	63.2	59%	0.594	33%	0.329	S	S	*	.			trans	-70.2	88.3	166.2	-53.6	0	0	0	0	107.9
50	Y	61.8	Low	63.2	Low	26 Å²	26	61.6 Å²	61.6	10%	0.102	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-80.1	128.9	-173.4	-58.3	-83.4	0	0	0	112.4	K45 A48 L74 W75	K45-Y50 VanDerWaalsContact CB-OH 3.31Å; K45-Y50 WeakPolarHBondContact CB-OH 3.24Å; K45-Y50 WeakPolarHBondContact O-CE2 3.38Å; K45-Y50 VanDerWaalsContact O-CZ 3.31Å; K45-Y50 PolarHBondContact O-OH 2.96Å; A48-Y50 VanDerWaalsContact C-N 3.33Å; A48-Y50 HydrophobicContact CB-CD1 4.12Å; A48-Y50 HydrophobicContact CB-CD2 4.37Å; A48-Y50 HydrophobicContact CB-CE1 3.67Å; A48-Y50 HydrophobicContact CB-CE2 3.92Å; A48-Y50 HydrophobicContact CB-CG 4.45Å; A48-Y50 WeakPolarHBondContact O-CD2 3.31Å; A48-Y50 WeakPolarHBondContact O-CE2 3.24Å; A48-Y50 PolarHBondContact O-N 2.73Å; Y50-L74 HydrophobicContact CD2-CD2 4.21Å; Y50-W75 PolarHBondContact O-N 2.94Å
51	V	62	Low	63.2	Low	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.5	158.2	-176.4	0	0	0	0	108.4	Q25 W75 V77 V268 L271 T272	Q25-V51 PolarHBondContact N-O 2.86Å; V51-W75 CarbonylContact C-O 3.53Å; V51-W75 WeakPolarHBondContact CA-O 3.4Å; V51-W75 HydrophobicContact CB-CB 4.49Å; V51-W75 HydrophobicContact CG1-CB 4.46Å; V51-W75 HydrophobicContact CG2-CB 4.03Å; V51-V77 HydrophobicContact CG1-CG2 3.99Å; V51-V268 HydrophobicContact CB-CG1 4.07Å; V51-V268 HydrophobicContact CG1-CG1 4.08Å; V51-V268 HydrophobicContact CG1-CG2 4.2Å; V51-V268 HydrophobicContact CG2-CG1 4.32Å; V51-L271 HydrophobicContact CG1-CD1 4.5Å; V51-L271 HydrophobicContact CG2-CB 3.92Å; V51-T272 HydrophobicContact CG2-CG2 3.82Å
52	I	65.2	Low	63.4	Low	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.7	174.6	-58.4	175.1	0	0	0	109	Q25 I42 L74 W75 V76 V77	Q25-I52 WeakPolarHBondContact O-CA 3.5Å; I42-I52 HydrophobicContact CD1-CD1 3.71Å; I42-I52 HydrophobicContact CG1-CD1 4.09Å; I42-I52 HydrophobicContact CG2-CD1 3.73Å; I52-L74 HydrophobicContact CD1-CD1 3.81Å; I52-W75 PolarHBondContact N-O 3.25Å; I52-V76 HydrophobicContact CB-CG2 4.32Å; I52-V76 WeakPolarHBondContact O-CA 3.44Å; I52-V77 PolarHBondContact O-N 3.01Å
53	I	64.4	Low	63.7	Low	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.3	172.1	-49.2	178.9	0	0	0	108.4	L11 L15 V24 Q25 V26 K27 V77 I79 I264 V268	L11-I53 HydrophobicContact CD2-CB 4.33Å; L11-I53 HydrophobicContact CD2-CD1 3.53Å; L11-I53 HydrophobicContact CD2-CG2 3.72Å; L11-I53 HydrophobicContact CG-CD1 4.31Å; L15-I53 HydrophobicContact CD1-CD1 4.25Å; V24-I53 HydrophobicContact CG1-CD1 3.87Å; V24-I53 HydrophobicContact CG1-CG1 4.13Å; Q25-I53 PolarHBondContact O-N 3.29Å; V26-I53 HydrophobicContact CG1-CB 4.32Å; V26-I53 HydrophobicContact CG2-CB 4.38Å; V26-I53 HydrophobicContact CG2-CD1 4.17Å; K27-I53 PolarHBondContact N-O 3.3Å; I53-V77 VanDerWaalsContact CA-O 3.3Å; I53-V77 WeakPolarHBondContact CA-O 3.23Å; I53-I79 HydrophobicContact CG2-CD1 3.8Å; I53-I79 HydrophobicContact CG2-CG1 4.17Å; I53-I264 HydrophobicContact CD1-CG2 4.33Å; I53-V268 HydrophobicContact CD1-CG1 4.48Å; I53-V268 HydrophobicContact CD1-CG2 3.5Å; I53-V268 HydrophobicContact CG1-CG2 4.1Å
54	S	67.6	Low	64.4	Low	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.1	-172.8	-164.2	0	0	0	0	112.3	K27 I29 I56 V77 Q78 I79	K27-S54 WeakPolarHBondContact O-CA 3.39Å; I29-S54 WeakPolarHBondContact CD1-OG 3.27Å; S54-I56 WeakPolarHBondContact OG-CG1 3.48Å; S54-V77 PolarHBondContact N-O 2.81Å; S54-Q78 WeakPolarHBondContact O-CA 2.79Å; S54-I79 PolarHBondContact O-N 3.21Å
55	F	66.6	Low	65.1	Low	1 Å²	1	55.1 Å²	55.1	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	107.1	166.4	-60.2	-92.8	0	0	0	107.6	H4 T8 V26 K27 I29 I79 Y261	H4-F55 HydrophobicContact CB-CB 4.29Å; T8-F55 WeakPolarHBondContact OG1-CD2 3.4Å; T8-F55 WeakPolarHBondContact OG1-CE2 3.46Å; V26-F55 HydrophobicContact CG1-CE2 3.92Å; K27-F55 PolarHBondContact O-N 3.37Å; I29-F55 PolarHBondContact N-O 3.22Å; F55-I79 HydrophobicContact CD1-CB 4Å; F55-I79 HydrophobicContact CD1-CG2 4.17Å; F55-I79 HydrophobicContact CE1-CB 3.92Å; F55-I79 HydrophobicContact CE1-CD1 3.77Å; F55-I79 HydrophobicContact CE1-CG1 4.43Å; F55-I79 HydrophobicContact CE1-CG2 3.92Å; F55-I79 HydrophobicContact CZ-CD1 3.73Å; F55-Y261 HydrophobicContact CZ-CE1 4.41Å
56	I	64.1	Low	66.1	Low	6 Å²	6	50.1 Å²	50.1	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.7	-174.5	-52.6	171.3	0	0	0	109.8	S54 N58 T61 R62 L65 Q78	S54-I56 WeakPolarHBondContact OG-CG1 3.48Å; I56-N58 VanDerWaalsContact CG2-O 3.27Å; I56-N58 WeakPolarHBondContact CG2-O 3.3Å; I56-T61 HydrophobicContact CG2-CG2 4.01Å; I56-R62 HydrophobicContact CG2-CB 4.36Å; I56-L65 HydrophobicContact CD1-CB 4.39Å; I56-L65 HydrophobicContact CD1-CD2 3.46Å; I56-L65 VanDerWaalsContact CD1-CD2 3.46Å; I56-Q78 HydrophobicContact CD1-CG 4.28Å
57	S	59.2	Low	67.5	Low	54 Å²	54	40 Å²	40	38%	0.378	22%	0.222	S	C	.	.			trans	-110.4	9	174.3	75.2	0	0	0	0	113.7	E82	S57-E82 VanDerWaalsContact O-OE1 3.09Å
58	N	70.4	Confident	68.7	Low	47 Å²	47	32.1 Å²	32.1	25%	0.251	18%	0.18	S	C	.	.			trans	-133.9	129.8	-175.2	-167.4	-46.8	0	0	0	112.4	G31 I56 I60 T61 R62	G31-N58 WeakPolarHBondContact O-CB 3.32Å; I56-N58 VanDerWaalsContact CG2-O 3.27Å; I56-N58 WeakPolarHBondContact CG2-O 3.3Å; N58-I60 VanDerWaalsContact C-N 3.3Å; N58-I60 PolarHBondContact O-N 2.97Å; N58-I60 WeakPolarHBondContact OD1-CB 3.36Å; N58-I60 PolarHBondContact OD1-N 3.35Å; N58-T61 PolarHBondContact O-N 3.29Å; N58-R62 PolarHBondContact O-N 3.5Å
59	Q	70.5	Confident	70.1	Confident	71 Å²	71	30.4 Å²	30.4	33%	0.332	17%	0.166	S	C	.	.	H	α-helix	trans	-61.1	-32.7	179.2	-67.2	-72	-7.1	0	0	113.6	R62 K63	Q59-R62 VanDerWaalsContact NE2-NH1 3.11Å; Q59-R62 PolarHBondContact O-N 3.42Å; Q59-K63 WeakPolarHBondContact O-CG 3.36Å; Q59-K63 PolarHBondContact O-N 2.94Å
60	I	73	Confident	71.2	Confident	96 Å²	96	33.1 Å²	33.1	49%	0.492	16%	0.163	S	C	.	.	H	α-helix	trans	-65.7	-49	177.9	-61.8	170.3	0	0	0	109.7	A32 N58 R62 K63 S64	A32-I60 HydrophobicContact CB-CB 4.06Å; A32-I60 HydrophobicContact CB-CD1 3.8Å; A32-I60 HydrophobicContact CB-CG2 4.17Å; N58-I60 VanDerWaalsContact C-N 3.3Å; N58-I60 PolarHBondContact O-N 2.97Å; N58-I60 WeakPolarHBondContact OD1-CB 3.36Å; N58-I60 PolarHBondContact OD1-N 3.35Å; I60-R62 VanDerWaalsContact C-N 3.33Å; I60-R62 PolarHBondContact O-N 3.38Å; I60-K63 WeakPolarHBondContact O-CB 3.3Å; I60-K63 PolarHBondContact O-N 2.97Å; I60-S64 PolarHBondContact O-N 3Å; I60-S64 PolarHBondContact O-OG 2.89Å
61	T	74.1	Confident	71.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-39.1	177.9	-56.9	0	0	0	0	111.7	I29 G31 A32 I33 L38 I56 N58 K63 S64 L65	I29-T61 HydrophobicContact CB-CG2 4.17Å; I29-T61 HydrophobicContact CG2-CG2 3.44Å; I29-T61 VanDerWaalsContact CG2-CG2 3.44Å; G31-T61 PolarHBondContact O-OG1 3.41Å; A32-T61 WeakPolarHBondContact CA-OG1 3.5Å; I33-T61 HydrophobicContact CB-CG2 4.38Å; I33-T61 PolarHBondContact N-OG1 3.3Å; L38-T61 HydrophobicContact CD1-CG2 4.23Å; I56-T61 HydrophobicContact CG2-CG2 4.01Å; N58-T61 PolarHBondContact O-N 3.29Å; T61-K63 PolarHBondContact O-N 2.92Å; T61-S64 PolarHBondContact O-N 3.06Å; T61-L65 WeakPolarHBondContact O-CB 2.89Å; T61-L65 PolarHBondContact O-N 2.97Å
62	R	73.3	Confident	72.4	Confident	24 Å²	24	40.2 Å²	40.2	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-46.9	173.3	-178.4	-176.3	-84.1	152.3	-4.6	111.1	I56 N58 Q59 I60 L65 L66 Q78	I56-R62 HydrophobicContact CG2-CB 4.36Å; N58-R62 PolarHBondContact O-N 3.5Å; Q59-R62 VanDerWaalsContact NE2-NH1 3.11Å; Q59-R62 PolarHBondContact O-N 3.42Å; I60-R62 VanDerWaalsContact C-N 3.33Å; I60-R62 PolarHBondContact O-N 3.38Å; R62-L65 PolarHBondContact O-N 2.8Å; R62-L66 WeakPolarHBondContact O-CB 3.41Å; R62-L66 PolarHBondContact O-N 3Å; R62-Q78 VanDerWaalsContact NE-NE2 3.16Å
63	K	78.9	Confident	72.7	Confident	138 Å²	138	44.9 Å²	44.9	60%	0.6	22%	0.221	S	C	*	.	H	α-helix	trans	-61.9	-42.8	175.7	-76.5	-179.8	177.7	-177.5	0	112.4	Q59 I60 T61 A67	Q59-K63 WeakPolarHBondContact O-CG 3.36Å; Q59-K63 PolarHBondContact O-N 2.94Å; I60-K63 WeakPolarHBondContact O-CB 3.3Å; I60-K63 PolarHBondContact O-N 2.97Å; T61-K63 PolarHBondContact O-N 2.92Å; K63-A67 PolarHBondContact O-N 3.31Å; K63-A67 VanDerWaalsContact O-N 3.07Å
64	S	80	Confident	73.2	Confident	19 Å²	19	45.5 Å²	45.5	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-68	-37.8	178.4	-65.9	0	0	0	0	112.9	I33 E35 I60 T61 A67 L68	I33-S64 PolarHBondContact O-OG 3.46Å; E35-S64 PolarHBondContact N-OG 2.94Å; I60-S64 PolarHBondContact O-N 3Å; I60-S64 PolarHBondContact O-OG 2.89Å; T61-S64 PolarHBondContact O-N 3.06Å; S64-A67 PolarHBondContact O-N 2.72Å; S64-L68 WeakPolarHBondContact O-CB 3.4Å; S64-L68 PolarHBondContact O-N 3.48Å
65	L	77.5	Confident	73.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-39.1	176.9	-169.8	70	0	0	0	111.7	L38 I42 I56 T61 R62 L68 S69 V76 Y97	L38-L65 HydrophobicContact CD2-CB 4.31Å; L38-L65 HydrophobicContact CD2-CD1 3.56Å; I42-L65 HydrophobicContact CD1-CD1 3.97Å; I56-L65 HydrophobicContact CD1-CB 4.39Å; I56-L65 HydrophobicContact CD1-CD2 3.46Å; I56-L65 VanDerWaalsContact CD1-CD2 3.46Å; T61-L65 WeakPolarHBondContact O-CB 2.89Å; T61-L65 PolarHBondContact O-N 2.97Å; R62-L65 PolarHBondContact O-N 2.8Å; L65-L68 WeakPolarHBondContact O-CB 3.42Å; L65-L68 PolarHBondContact O-N 3.47Å; L65-S69 PolarHBondContact O-N 2.84Å; L65-V76 HydrophobicContact CD2-CG1 3.53Å; L65-V76 HydrophobicContact CG-CG1 4.06Å; L65-Y97 HydrophobicContact CB-CE2 4.49Å; L65-Y97 HydrophobicContact CD2-CE2 4.11Å; L65-Y97 HydrophobicContact CG-CE2 4.21Å
66	L	77.6	Confident	74.2	Confident	34 Å²	34	48.1 Å²	48.1	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-44.1	173.3	-170.6	78	0	0	0	112.1	R62 L68 S69 R70 P94 Y97	R62-L66 WeakPolarHBondContact O-CB 3.41Å; R62-L66 PolarHBondContact O-N 3Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 2.96Å; L66-S69 PolarHBondContact O-N 3.21Å; L66-S69 PolarHBondContact O-OG 2.77Å; L66-R70 WeakPolarHBondContact O-CG 3.2Å; L66-R70 PolarHBondContact O-N 3.38Å; L66-P94 HydrophobicContact CD1-CG 3.99Å; L66-Y97 HydrophobicContact CB-CE2 4.49Å; L66-Y97 HydrophobicContact CD1-CD1 3.97Å; L66-Y97 HydrophobicContact CD1-CD2 3.67Å; L66-Y97 HydrophobicContact CD1-CE2 4.23Å; L66-Y97 HydrophobicContact CD1-CG 3.54Å
67	A	79	Confident	74.9	Confident	33 Å²	33	47.9 Å²	47.9	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-37.2	176	0	0	0	0	0	111.8	K63 S64 K71	K63-A67 PolarHBondContact O-N 3.31Å; K63-A67 VanDerWaalsContact O-N 3.07Å; S64-A67 PolarHBondContact O-N 2.72Å; A67-K71 WeakPolarHBondContact O-CG 3.5Å; A67-K71 PolarHBondContact O-N 3.28Å
68	L	76.5	Confident	75.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-70.3	-42	177.7	-162.5	89.2	0	0	0	112.2	E35 R39 I42 S64 L65 L66 R70 K71 L72	E35-L68 HydrophobicContact CG-CD1 4.19Å; R39-L68 HydrophobicContact CB-CD1 3.87Å; R39-L68 HydrophobicContact CG-CD1 4.08Å; I42-L68 HydrophobicContact CD1-CD2 3.26Å; S64-L68 WeakPolarHBondContact O-CB 3.4Å; S64-L68 PolarHBondContact O-N 3.48Å; L65-L68 WeakPolarHBondContact O-CB 3.42Å; L65-L68 PolarHBondContact O-N 3.47Å; L66-L68 VanDerWaalsContact C-N 3.28Å; L66-L68 PolarHBondContact O-N 2.96Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-R70 PolarHBondContact O-N 2.64Å; L68-K71 PolarHBondContact O-N 3.09Å; L68-K71 VanDerWaalsContact O-N 3.14Å; L68-L72 HydrophobicContact CD1-CD1 4.07Å; L68-L72 HydrophobicContact CD2-CD1 3.99Å; L68-L72 HydrophobicContact CG-CD1 3.74Å; L68-L72 HydrophobicContact CG-CG 4.35Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 PolarHBondContact O-N 3.44Å
69	S	77.6	Confident	76.2	Confident	2 Å²	2	43 Å²	43	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-56.6	-48.2	178	100.4	0	0	0	0	110.1	L65 L66 K71 L72 N73 L74	L65-S69 PolarHBondContact O-N 2.84Å; L66-S69 PolarHBondContact O-N 3.21Å; L66-S69 PolarHBondContact O-OG 2.77Å; S69-K71 VanDerWaalsContact C-N 3.35Å; S69-K71 PolarHBondContact O-N 2.84Å; S69-L72 PolarHBondContact O-N 2.84Å; S69-N73 VanDerWaalsContact O-CA 3.27Å; S69-N73 WeakPolarHBondContact O-CA 3.49Å; S69-N73 PolarHBondContact O-N 3Å; S69-L74 WeakPolarHBondContact CB-O 3.44Å; S69-L74 PolarHBondContact O-N 3.06Å; S69-L74 VanDerWaalsContact O-N 3.13Å
70	R	75.9	Confident	76.2	Confident	142 Å²	142	39.7 Å²	39.7	54%	0.536	19%	0.187	S	C	.	.	H	α-helix	trans	-60.9	-38.4	176.4	-69.3	179.4	-179.4	-177.2	-1.2	113.4	L66 L68	L66-R70 WeakPolarHBondContact O-CG 3.2Å; L66-R70 PolarHBondContact O-N 3.38Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-R70 PolarHBondContact O-N 2.64Å
71	K	75.5	Confident	75.6	Confident	133 Å²	133	37.2 Å²	37.2	58%	0.578	17%	0.174	S	C	*	.	H	α-helix	trans	-75.5	-32.8	-178.2	-81.4	179.4	-176.7	172.4	0	113	E35 A67 L68 S69	E35-K71 VanDerWaalsContact OE1-CD 3.22Å; E35-K71 WeakPolarHBondContact OE1-CD 3.49Å; E35-K71 WeakPolarHBondContact OE1-CE 3.37Å; E35-K71 IonicContact OE1-NZ 3Å; E35-K71 PolarHBondContact OE1-NZ 2.81Å; E35-K71 IonicContact OE2-NZ 2.9Å; E35-K71 PolarHBondContact OE2-NZ 3.43Å; A67-K71 WeakPolarHBondContact O-CG 3.5Å; A67-K71 PolarHBondContact O-N 3.28Å; L68-K71 PolarHBondContact O-N 3.09Å; L68-K71 VanDerWaalsContact O-N 3.14Å; S69-K71 VanDerWaalsContact C-N 3.35Å; S69-K71 PolarHBondContact O-N 2.84Å
72	L	73.3	Confident	74.7	Confident	42 Å²	42	39.8 Å²	39.8	22%	0.22	19%	0.186	C	C	.	.	H	α-helix	trans	-104.9	-3	-175.3	-62.7	179.2	0	0	0	113	I44 L68 S69 L74	I44-L72 HydrophobicContact CD1-CD1 3.45Å; I44-L72 VanDerWaalsContact CD1-CD1 3.45Å; I44-L72 HydrophobicContact CD1-CD2 4.38Å; I44-L72 HydrophobicContact CG1-CD1 4.11Å; L68-L72 HydrophobicContact CD1-CD1 4.07Å; L68-L72 HydrophobicContact CD2-CD1 3.99Å; L68-L72 HydrophobicContact CG-CD1 3.74Å; L68-L72 HydrophobicContact CG-CG 4.35Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 PolarHBondContact O-N 3.44Å; S69-L72 PolarHBondContact O-N 2.84Å; L72-L74 HydrophobicContact CB-CD1 3.66Å; L72-L74 HydrophobicContact CB-CG 3.65Å; L72-L74 HydrophobicContact CD1-CD1 3.81Å; L72-L74 HydrophobicContact CG-CD1 4.41Å
73	N	71.3	Confident	73.4	Confident	99 Å²	99	42 Å²	42	53%	0.529	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	52.8	-175.6	-158.5	7.5	0	0	0	111.3	S69 E96	S69-N73 VanDerWaalsContact O-CA 3.27Å; S69-N73 WeakPolarHBondContact O-CA 3.49Å; S69-N73 PolarHBondContact O-N 3Å; N73-E96 VanDerWaalsContact OD1-CD 3.24Å; N73-E96 PolarHBondContact OD1-OE1 2.89Å; N73-E96 VanDerWaalsContact OD1-OE1 3.06Å
74	L	74.9	Confident	71.7	Confident	13 Å²	13	37.5 Å²	37.5	7%	0.068	18%	0.181	C	C	.	.			trans	-109.6	136.8	-176.4	-66.1	177.5	0	0	0	110.3	Y50 I52 S69 L72	Y50-L74 HydrophobicContact CD2-CD2 4.21Å; I52-L74 HydrophobicContact CD1-CD1 3.81Å; S69-L74 WeakPolarHBondContact CB-O 3.44Å; S69-L74 PolarHBondContact O-N 3.06Å; S69-L74 VanDerWaalsContact O-N 3.13Å; L72-L74 HydrophobicContact CB-CD1 3.66Å; L72-L74 HydrophobicContact CB-CG 3.65Å; L72-L74 HydrophobicContact CD1-CD1 3.81Å; L72-L74 HydrophobicContact CG-CD1 4.41Å
75	W	77.1	Confident	69.9	Low	55 Å²	55	38.8 Å²	38.8	21%	0.208	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.1	172	-57.6	103.6	0	0	0	109.8	Y50 V51 I52 N95 E96 L271 D279 I281	Y50-W75 PolarHBondContact O-N 2.94Å; V51-W75 CarbonylContact C-O 3.53Å; V51-W75 WeakPolarHBondContact CA-O 3.4Å; V51-W75 HydrophobicContact CB-CB 4.49Å; V51-W75 HydrophobicContact CG1-CB 4.46Å; V51-W75 HydrophobicContact CG2-CB 4.03Å; I52-W75 PolarHBondContact N-O 3.25Å; W75-N95 WeakPolarHBondContact CZ3-O 3.35Å; W75-E96 WeakPolarHBondContact CA-O 3.07Å; W75-E96 HydrophobicContact CE3-CB 4.49Å; W75-L271 HydrophobicContact CE3-CD2 4.42Å; W75-D279 WeakPolarHBondContact CH2-O 3.46Å; W75-I281 HydrophobicContact CB-CD1 4.11Å; W75-I281 HydrophobicContact CD2-CD1 4.34Å; W75-I281 HydrophobicContact CD2-CG1 4.34Å; W75-I281 HydrophobicContact CE3-CB 3.66Å; W75-I281 HydrophobicContact CE3-CD1 3.49Å; W75-I281 VanDerWaalsContact CE3-CD1 3.49Å; W75-I281 HydrophobicContact CE3-CG1 3.3Å; W75-I281 HydrophobicContact CZ3-CB 3.48Å; W75-I281 VanDerWaalsContact CZ3-CB 3.48Å; W75-I281 HydrophobicContact CZ3-CD1 4.25Å; W75-I281 HydrophobicContact CZ3-CG1 3.6Å
76	V	78.7	Confident	68	Low	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.5	179.9	-178.6	0	0	0	0	110.7	I52 L65 E96 Y97 V98	I52-V76 HydrophobicContact CB-CG2 4.32Å; I52-V76 WeakPolarHBondContact O-CA 3.44Å; L65-V76 HydrophobicContact CD2-CG1 3.53Å; L65-V76 HydrophobicContact CG-CG1 4.06Å; V76-E96 PolarHBondContact N-O 3.07Å; V76-Y97 HydrophobicContact CB-CD2 3.51Å; V76-Y97 HydrophobicContact CB-CE2 3.84Å; V76-Y97 HydrophobicContact CB-CG 4.27Å; V76-Y97 HydrophobicContact CG1-CD2 3.66Å; V76-Y97 HydrophobicContact CG1-CE2 3.41Å; V76-Y97 VanDerWaalsContact CG1-CE2 3.41Å; V76-Y97 HydrophobicContact CG2-CD2 4.15Å; V76-Y97 HydrophobicContact CG2-CE2 4.49Å; V76-Y97 WeakPolarHBondContact O-CA 3.43Å; V76-V98 PolarHBondContact O-N 3.37Å
77	V	78.8	Confident	66.1	Low	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	108.1	172.3	-177.4	0	0	0	0	108.3	V51 I52 I53 S54 V98 I100 L271	V51-V77 HydrophobicContact CG1-CG2 3.99Å; I52-V77 PolarHBondContact O-N 3.01Å; I53-V77 VanDerWaalsContact CA-O 3.3Å; I53-V77 WeakPolarHBondContact CA-O 3.23Å; S54-V77 PolarHBondContact N-O 2.81Å; V77-V98 HydrophobicContact CB-CG1 4.29Å; V77-V98 HydrophobicContact CG1-CG1 4Å; V77-V98 HydrophobicContact CG2-CG1 4.07Å; V77-I100 HydrophobicContact CG1-CD1 3.85Å; V77-I100 HydrophobicContact CG1-CG1 4.46Å; V77-L271 HydrophobicContact CG2-CD1 3.99Å
78	Q	80.6	Confident	64.2	Low	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.1	174.9	178.7	179.7	-0.1	0	0	110	S54 I56 R62 Y97 V98 V99 I100	S54-Q78 WeakPolarHBondContact O-CA 2.79Å; I56-Q78 HydrophobicContact CD1-CG 4.28Å; R62-Q78 VanDerWaalsContact NE-NE2 3.16Å; Q78-Y97 HydrophobicContact CB-CE1 4.2Å; Q78-Y97 PolarHBondContact OE1-OH 3.23Å; Q78-V98 PolarHBondContact N-O 2.74Å; Q78-V99 HydrophobicContact CB-CG1 4.47Å; Q78-V99 HydrophobicContact CB-CG2 4.18Å; Q78-V99 HydrophobicContact CG-CG1 4.37Å; Q78-V99 CarbonylContact O-C 3.56Å; Q78-V99 WeakPolarHBondContact O-CA 3.31Å; Q78-I100 PolarHBondContact O-N 3.5Å
79	I	77.3	Confident	62.3	Low	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110	167.7	-58.4	174	0	0	0	107.4	L11 I53 S54 F55 I100 T102 F260 Y261 I264	L11-I79 HydrophobicContact CD2-CD1 4.22Å; I53-I79 HydrophobicContact CG2-CD1 3.8Å; I53-I79 HydrophobicContact CG2-CG1 4.17Å; S54-I79 PolarHBondContact O-N 3.21Å; F55-I79 HydrophobicContact CD1-CB 4Å; F55-I79 HydrophobicContact CD1-CG2 4.17Å; F55-I79 HydrophobicContact CE1-CB 3.92Å; F55-I79 HydrophobicContact CE1-CD1 3.77Å; F55-I79 HydrophobicContact CE1-CG1 4.43Å; F55-I79 HydrophobicContact CE1-CG2 3.92Å; F55-I79 HydrophobicContact CZ-CD1 3.73Å; I79-I100 WeakPolarHBondContact CA-O 3.46Å; I79-T102 HydrophobicContact CG2-CG2 3.67Å; I79-F260 HydrophobicContact CG2-CE1 4.36Å; I79-F260 HydrophobicContact CG2-CZ 4.32Å; I79-Y261 HydrophobicContact CD1-CE1 4.31Å; I79-I264 HydrophobicContact CD1-CG2 4.34Å
80	A	68.6	Low	60.4	Low	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.2	-178.4	0	0	0	0	0	111.1	V99 I100	A80-V99 HydrophobicContact CB-CG1 3.64Å; A80-I100 PolarHBondContact N-O 3.22Å
81	E	60.6	Low	58.9	Low	45 Å²	45	69.1 Å²	69.1	21%	0.21	35%	0.348	C	S	.	.			trans	-97.6	-1.1	169.7	-76	174	-157.4	0	0	112.3	H4 T102 T105	H4-E81 IonicContact CE1-OE1 2.9Å; H4-E81 PolarHBondContact CE1-OE1 3.04Å; H4-E81 IonicContact CE1-OE2 3.35Å; H4-E81 PolarHBondContact CE1-OE2 3.05Å; H4-E81 VanDerWaalsContact ND1-CD 3.3Å; H4-E81 IonicContact ND1-OE1 3.54Å; H4-E81 PolarHBondContact ND1-OE1 2.73Å; H4-E81 IonicContact ND1-OE2 3.36Å; H4-E81 PolarHBondContact ND1-OE2 2.85Å; H4-E81 IonicContact NE2-OE2 3.01Å; E81-T102 HydrophobicContact CG-CG2 4.35Å; E81-T105 WeakPolarHBondContact O-CG2 3.16Å
82	E	55.1	Low	57.4	Low	54 Å²	54	67.4 Å²	67.4	25%	0.252	35%	0.345	S	S	.	.	S	Bend	trans	-98.9	137.3	178.2	-69.9	179.3	-169.7	0	0	112	S57 T84	S57-E82 VanDerWaalsContact O-OE1 3.09Å; E82-T84 PolarHBondContact O-N 2.98Å; E82-T84 VanDerWaalsContact O-N 3.12Å; E82-T84 PolarHBondContact OE2-OG1 3.06Å; E82-T84 VanDerWaalsContact OE2-OG1 3.09Å
83	F	46.7	Very low	56.2	Low	69 Å²	69	75.2 Å²	75.2	30%	0.303	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-62.4	-15.1	172.8	-127.6	-87.7	0	0	0	113.4	A85 T86 T105 L108 I112	F83-A85 PolarHBondContact O-N 2.79Å; F83-T86 PolarHBondContact O-N 2.9Å; F83-T86 PolarHBondContact O-OG1 3.3Å; F83-T105 WeakPolarHBondContact CE2-O 3.47Å; F83-L108 HydrophobicContact CE2-CB 4.44Å; F83-I112 HydrophobicContact CE2-CD1 4.43Å
84	T	43.9	Very low	55.3	Low	45 Å²	45	72 Å²	72	28%	0.276	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-65.3	-4	-176	63.6	0	0	0	0	114.4	E82 T86 T87	E82-T84 PolarHBondContact O-N 2.98Å; E82-T84 VanDerWaalsContact O-N 3.12Å; E82-T84 PolarHBondContact OE2-OG1 3.06Å; E82-T84 VanDerWaalsContact OE2-OG1 3.09Å; T84-T86 PolarHBondContact O-N 2.78Å; T84-T86 VanDerWaalsContact O-N 3.14Å; T84-T87 PolarHBondContact O-N 3.19Å; T84-T87 PolarHBondContact O-OG1 2.97Å; T84-T87 VanDerWaalsContact O-OG1 3.14Å
85	A	40.8	Very low	54.7	Low	46 Å²	46	75.7 Å²	75.7	38%	0.38	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-64	-13.4	174.9	0	0	0	0	0	113.9	F83 V99 T101	F83-A85 PolarHBondContact O-N 2.79Å; A85-V99 HydrophobicContact CB-CG1 4.32Å; A85-T101 HydrophobicContact CB-CG2 4.25Å
86	T	39	Very low	54.2	Low	114 Å²	114	75.3 Å²	75.3	70%	0.699	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-86	-1.8	179.4	52.8	0	0	0	0	114.8	F83 T84 N88	F83-T86 PolarHBondContact O-N 2.9Å; F83-T86 PolarHBondContact O-OG1 3.3Å; T84-T86 PolarHBondContact O-N 2.78Å; T84-T86 VanDerWaalsContact O-N 3.14Å; T86-N88 PolarHBondContact O-N 3.15Å
87	T	36.6	Very low	53.9	Low	88 Å²	88	76.3 Å²	76.3	54%	0.54	38%	0.38	S	S	.	.	S	Bend	trans	-75.1	94.7	177.4	56	0	0	0	0	111.8	T84 W89	T84-T87 PolarHBondContact O-N 3.19Å; T84-T87 PolarHBondContact O-OG1 2.97Å; T84-T87 VanDerWaalsContact O-OG1 3.14Å; T87-W89 PolarHBondContact O-N 2.57Å
88	N	38.5	Very low	53.7	Low	158 Å²	158	77.4 Å²	77.4	85%	0.845	39%	0.387	S	S	*	.			trans	53.5	26.5	145.3	-73.5	-12.9	0	0	0	120	T86 K90	T86-N88 PolarHBondContact O-N 3.15Å; N88-K90 VanDerWaalsContact C-N 3.25Å; N88-K90 PolarHBondContact O-N 3.05Å; N88-K90 VanDerWaalsContact O-N 3.12Å
89	W	38	Very low	53.5	Low	150 Å²	150	80 Å²	80	57%	0.568	40%	0.403	S	S	*	.			trans	-86.9	66.8	164.3	-107.6	-61.1	0	0	0	111.2	T87	T87-W89 PolarHBondContact O-N 2.57Å
90	K	38.3	Very low	53.4	Low	191 Å²	191	81.1 Å²	81.1	83%	0.83	41%	0.409	S	S	*	.			trans	-80	-13.8	171.7	-102.2	-175.7	175.8	-178.7	0	113.7	N88	N88-K90 VanDerWaalsContact C-N 3.25Å; N88-K90 PolarHBondContact O-N 3.05Å; N88-K90 VanDerWaalsContact O-N 3.12Å
91	N	43.2	Very low	53.6	Low	149 Å²	149	84 Å²	84	80%	0.797	43%	0.426	S	S	*	.	S	Bend	trans	-124.4	-9.5	-162.9	-74	-0.1	0	0	0	117.9
92	D	44.7	Very low	54.2	Low	97 Å²	97	81.8 Å²	81.8	52%	0.519	42%	0.416	S	S	.	.			trans	-122.5	94	173.9	-73.9	-28.8	0	0	0	108.2	P94	D92-P94 VanDerWaalsContact C-CD 3.47Å; D92-P94 WeakPolarHBondContact O-CD 3.34Å
93	R	47.6	Very low	54.8	Low	206 Å²	206	80.5 Å²	80.5	78%	0.777	41%	0.412	S	S	*	.			trans	-87.8	94.8	166.3	-68.1	-174.8	-175.9	-175.5	1.4	107.7	N95	R93-N95 PolarHBondContact O-N 3.48Å
94	P	52.3	Low	55.7	Low	32 Å²	32	79.8 Å²	79.8	21%	0.208	41%	0.408	C	S	.	.			trans	-67.6	120.7	164.7	28.8	-33.2	0	0	0	107.1	L66 D92 E96 Y97	L66-P94 HydrophobicContact CD1-CG 3.99Å; D92-P94 VanDerWaalsContact C-CD 3.47Å; D92-P94 WeakPolarHBondContact O-CD 3.34Å; P94-E96 PolarHBondContact O-N 3.2Å; P94-Y97 PolarHBondContact O-N 3.26Å
95	N	61.7	Low	56.8	Low	90 Å²	90	78.2 Å²	78.2	48%	0.481	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-3.7	177.3	-79.7	-5.2	0	0	0	113.6	W75 R93 S280 I281	W75-N95 WeakPolarHBondContact CZ3-O 3.35Å; R93-N95 PolarHBondContact O-N 3.48Å; N95-S280 VanDerWaalsContact CG-CB 3.46Å; N95-S280 WeakPolarHBondContact OD1-CB 3.47Å; N95-I281 VanDerWaalsContact O-CB 3.26Å; N95-I281 WeakPolarHBondContact O-CB 3.5Å; N95-I281 PolarHBondContact O-N 2.93Å
96	E	67.8	Low	57.9	Low	46 Å²	46	80.2 Å²	80.2	22%	0.215	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-1.6	-171.6	-65.6	160.1	-150.2	0	0	114.3	N73 W75 V76 P94	N73-E96 VanDerWaalsContact OD1-CD 3.24Å; N73-E96 PolarHBondContact OD1-OE1 2.89Å; N73-E96 VanDerWaalsContact OD1-OE1 3.06Å; W75-E96 WeakPolarHBondContact CA-O 3.07Å; W75-E96 HydrophobicContact CE3-CB 4.49Å; V76-E96 PolarHBondContact N-O 3.07Å; P94-E96 PolarHBondContact O-N 3.2Å
97	Y	72.8	Confident	59.1	Low	22 Å²	22	76.6 Å²	76.6	9%	0.086	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124	-173.7	-168	-76.8	0	0	0	112.2	L65 L66 V76 Q78 P94 V99	L65-Y97 HydrophobicContact CB-CE2 4.49Å; L65-Y97 HydrophobicContact CD2-CE2 4.11Å; L65-Y97 HydrophobicContact CG-CE2 4.21Å; L66-Y97 HydrophobicContact CB-CE2 4.49Å; L66-Y97 HydrophobicContact CD1-CD1 3.97Å; L66-Y97 HydrophobicContact CD1-CD2 3.67Å; L66-Y97 HydrophobicContact CD1-CE2 4.23Å; L66-Y97 HydrophobicContact CD1-CG 3.54Å; V76-Y97 HydrophobicContact CB-CD2 3.51Å; V76-Y97 HydrophobicContact CB-CE2 3.84Å; V76-Y97 HydrophobicContact CB-CG 4.27Å; V76-Y97 HydrophobicContact CG1-CD2 3.66Å; V76-Y97 HydrophobicContact CG1-CE2 3.41Å; V76-Y97 VanDerWaalsContact CG1-CE2 3.41Å; V76-Y97 HydrophobicContact CG2-CD2 4.15Å; V76-Y97 HydrophobicContact CG2-CE2 4.49Å; V76-Y97 WeakPolarHBondContact O-CA 3.43Å; Q78-Y97 HydrophobicContact CB-CE1 4.2Å; Q78-Y97 PolarHBondContact OE1-OH 3.23Å; P94-Y97 PolarHBondContact O-N 3.26Å; Y97-V99 HydrophobicContact CD1-CG2 4.27Å; Y97-V99 HydrophobicContact CE1-CG2 3.69Å
98	V	74.4	Confident	60.3	Low	24 Å²	24	73.8 Å²	73.8	15%	0.145	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.6	176.6	89.8	0	0	0	0	112.3	V76 V77 Q78 I100 I281 V285	V76-V98 PolarHBondContact O-N 3.37Å; V77-V98 HydrophobicContact CB-CG1 4.29Å; V77-V98 HydrophobicContact CG1-CG1 4Å; V77-V98 HydrophobicContact CG2-CG1 4.07Å; Q78-V98 PolarHBondContact N-O 2.74Å; V98-I100 HydrophobicContact CG1-CD1 4.23Å; V98-I100 HydrophobicContact CG1-CG1 4.15Å; V98-I281 HydrophobicContact CB-CG2 3.8Å; V98-I281 HydrophobicContact CG2-CG2 4.33Å; V98-V285 HydrophobicContact CB-CG2 4.2Å; V98-V285 HydrophobicContact CG1-CG2 4Å; V98-V285 HydrophobicContact CG2-CG1 4.33Å; V98-V285 HydrophobicContact CG2-CG2 3.94Å
99	V	75.5	Confident	61.5	Low	55 Å²	55	67.2 Å²	67.2	33%	0.333	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.7	173.6	-174.5	0	0	0	0	108.8	Q78 A80 A85 Y97	Q78-V99 HydrophobicContact CB-CG1 4.47Å; Q78-V99 HydrophobicContact CB-CG2 4.18Å; Q78-V99 HydrophobicContact CG-CG1 4.37Å; Q78-V99 CarbonylContact O-C 3.56Å; Q78-V99 WeakPolarHBondContact O-CA 3.31Å; A80-V99 HydrophobicContact CB-CG1 3.64Å; A85-V99 HydrophobicContact CB-CG1 4.32Å; Y97-V99 HydrophobicContact CD1-CG2 4.27Å; Y97-V99 HydrophobicContact CE1-CG2 3.69Å
100	I	75.9	Confident	62.8	Low	22 Å²	22	62.4 Å²	62.4	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.7	176.5	-57.8	173.7	0	0	0	108.2	V77 Q78 I79 A80 V98 F260 I264 L267 L289	V77-I100 HydrophobicContact CG1-CD1 3.85Å; V77-I100 HydrophobicContact CG1-CG1 4.46Å; Q78-I100 PolarHBondContact O-N 3.5Å; I79-I100 WeakPolarHBondContact CA-O 3.46Å; A80-I100 PolarHBondContact N-O 3.22Å; V98-I100 HydrophobicContact CG1-CD1 4.23Å; V98-I100 HydrophobicContact CG1-CG1 4.15Å; I100-F260 HydrophobicContact CG2-CE2 3.84Å; I100-F260 HydrophobicContact CG2-CZ 4.13Å; I100-I264 HydrophobicContact CB-CD1 4.24Å; I100-I264 HydrophobicContact CD1-CD1 3.38Å; I100-I264 HydrophobicContact CG1-CD1 4.39Å; I100-I264 HydrophobicContact CG2-CD1 3.98Å; I100-L267 HydrophobicContact CD1-CD2 3.57Å; I100-L289 HydrophobicContact CD1-CD1 3.92Å
101	T	72.4	Confident	64.1	Low	60 Å²	60	53.6 Å²	53.6	37%	0.368	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145	173.6	51.3	0	0	0	0	109.5	A85	A85-T101 HydrophobicContact CB-CG2 4.25Å
102	T	72.9	Confident	65.2	Low	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.			trans	-73.3	155	-179.4	59.5	0	0	0	0	112.4	I79 E81 W104 T105 T106 F260	I79-T102 HydrophobicContact CG2-CG2 3.67Å; E81-T102 HydrophobicContact CG-CG2 4.35Å; T102-W104 HydrophobicContact CG2-CH2 4.2Å; T102-W104 HydrophobicContact CG2-CZ2 3.44Å; T102-W104 VanDerWaalsContact CG2-CZ2 3.44Å; T102-W104 PolarHBondContact O-N 3.12Å; T102-W104 PolarHBondContact OG1-NE1 2.84Å; T102-T105 WeakPolarHBondContact CA-OG1 3.34Å; T102-T105 PolarHBondContact N-OG1 2.75Å; T102-T105 PolarHBondContact O-N 3.33Å; T102-T105 PolarHBondContact O-OG1 2.92Å; T102-T105 PolarHBondContact OG1-N 2.88Å; T102-T105 PolarHBondContact OG1-OG1 3.02Å; T102-T106 PolarHBondContact O-N 2.65Å; T102-T106 PolarHBondContact O-OG1 3.08Å; T102-F260 HydrophobicContact CG2-CE1 4.04Å; T102-F260 HydrophobicContact CG2-CZ 4.12Å
103	P	67.7	Low	66.3	Low	26 Å²	26	46 Å²	46	17%	0.169	25%	0.25	C	S	.	.	H	α-helix	trans	-57.5	-37.4	177.2	-24.2	32.9	0	0	0	112.7	T105 T106 M107 L256 F260	P103-T105 PolarHBondContact O-N 2.01Å; P103-T106 WeakPolarHBondContact O-CB 3.01Å; P103-T106 PolarHBondContact O-N 3.25Å; P103-T106 VanDerWaalsContact O-N 3.14Å; P103-M107 WeakPolarHBondContact O-CG 3.36Å; P103-M107 PolarHBondContact O-N 3.26Å; P103-L256 HydrophobicContact CB-CD2 3.76Å; P103-L256 HydrophobicContact CB-CG 4.18Å; P103-L256 HydrophobicContact CG-CD2 4.46Å; P103-L256 HydrophobicContact CG-CG 4.36Å; P103-F260 HydrophobicContact CG-CB 3.86Å; P103-F260 HydrophobicContact CG-CD2 3.8Å; P103-F260 HydrophobicContact CG-CG 3.85Å
104	W	65.8	Low	67.2	Low	55 Å²	55	39.6 Å²	39.6	21%	0.208	23%	0.234	C	C	.	.	H	α-helix	trans	-70.3	-26.4	177.9	47.2	89.7	0	0	0	113.8	T102 L108 E257 F260 Y261	T102-W104 HydrophobicContact CG2-CH2 4.2Å; T102-W104 HydrophobicContact CG2-CZ2 3.44Å; T102-W104 VanDerWaalsContact CG2-CZ2 3.44Å; T102-W104 PolarHBondContact O-N 3.12Å; T102-W104 PolarHBondContact OG1-NE1 2.84Å; W104-L108 PolarHBondContact O-N 3.38Å; W104-E257 HydrophobicContact CH2-CG 4.13Å; W104-E257 HydrophobicContact CZ3-CB 4.32Å; W104-E257 HydrophobicContact CZ3-CG 3.99Å; W104-F260 HydrophobicContact CH2-CD1 4.23Å; W104-Y261 HydrophobicContact CH2-CE2 4.23Å
105	T	66.3	Low	67.9	Low	12 Å²	12	38.1 Å²	38.1	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-40.4	166.9	32.9	0	0	0	0	111.8	E81 F83 T102 P103 M107 L108 G109	E81-T105 WeakPolarHBondContact O-CG2 3.16Å; F83-T105 WeakPolarHBondContact CE2-O 3.47Å; T102-T105 WeakPolarHBondContact CA-OG1 3.34Å; T102-T105 PolarHBondContact N-OG1 2.75Å; T102-T105 PolarHBondContact O-N 3.33Å; T102-T105 PolarHBondContact O-OG1 2.92Å; T102-T105 PolarHBondContact OG1-N 2.88Å; T102-T105 PolarHBondContact OG1-OG1 3.02Å; P103-T105 PolarHBondContact O-N 2.01Å; T105-M107 VanDerWaalsContact C-N 3.34Å; T105-L108 WeakPolarHBondContact O-CB 3.03Å; T105-L108 PolarHBondContact O-N 2.96Å; T105-G109 PolarHBondContact O-N 2.85Å
106	T	65.7	Low	68.1	Low	88 Å²	88	36.7 Å²	36.7	54%	0.54	22%	0.219	S	C	.	.	H	α-helix	trans	-65	-40.6	175.3	-42.8	0	0	0	0	111.2	T102 P103 L108 G109 A110	T102-T106 PolarHBondContact O-N 2.65Å; T102-T106 PolarHBondContact O-OG1 3.08Å; P103-T106 WeakPolarHBondContact O-CB 3.01Å; P103-T106 PolarHBondContact O-N 3.25Å; P103-T106 VanDerWaalsContact O-N 3.14Å; T106-L108 VanDerWaalsContact C-N 3.31Å; T106-L108 PolarHBondContact O-N 3.38Å; T106-G109 WeakPolarHBondContact O-CA 3.31Å; T106-G109 PolarHBondContact O-N 3.2Å; T106-A110 PolarHBondContact O-N 3.42Å; T106-A110 VanDerWaalsContact O-N 3.1Å
107	M	62.6	Low	67.8	Low	38 Å²	38	41 Å²	41	19%	0.187	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-41.3	171.7	-71.8	177.9	68.9	0	0	111.7	P103 T105 G109 A110 L111 W221 I252	P103-M107 WeakPolarHBondContact O-CG 3.36Å; P103-M107 PolarHBondContact O-N 3.26Å; T105-M107 VanDerWaalsContact C-N 3.34Å; M107-G109 PolarHBondContact O-N 2.95Å; M107-A110 CarbonylContact O-C 3.52Å; M107-A110 WeakPolarHBondContact O-CA 3.35Å; M107-A110 WeakPolarHBondContact O-CB 3.32Å; M107-A110 PolarHBondContact O-N 3.48Å; M107-L111 PolarHBondContact O-N 3.2Å; M107-W221 HydrophobicContact CB-CH2 3.76Å; M107-W221 HydrophobicContact CB-CZ2 4.46Å; M107-W221 HydrophobicContact CB-CZ3 4.39Å; M107-W221 HydrophobicContact CE-CD2 4.47Å; M107-W221 HydrophobicContact CE-CE3 4.33Å; M107-W221 HydrophobicContact CE-CH2 3.69Å; M107-W221 HydrophobicContact CE-CZ2 3.7Å; M107-W221 HydrophobicContact CE-CZ3 4Å; M107-W221 WeakPolarHBondContact O-CH2 3.14Å; M107-I252 HydrophobicContact CE-CD1 3.28Å; M107-I252 HydrophobicContact CG-CD1 4.26Å; M107-I252 HydrophobicContact SD-CD1 3.23Å; M107-I252 WeakPolarHBondContact SD-CD1 3.37Å
108	L	62.3	Low	67	Low	28 Å²	28	41.9 Å²	41.9	15%	0.147	26%	0.256	C	S	.	.	H	α-helix	trans	-55.2	-36.3	173.8	-140.2	101	0	0	0	111.8	F83 W104 T105 T106 L111 I112 L134	F83-L108 HydrophobicContact CE2-CB 4.44Å; W104-L108 PolarHBondContact O-N 3.38Å; T105-L108 WeakPolarHBondContact O-CB 3.03Å; T105-L108 PolarHBondContact O-N 2.96Å; T106-L108 VanDerWaalsContact C-N 3.31Å; T106-L108 PolarHBondContact O-N 3.38Å; L108-L111 WeakPolarHBondContact O-CB 3.35Å; L108-L111 PolarHBondContact O-N 2.91Å; L108-I112 HydrophobicContact CD2-CD1 4.49Å; L108-I112 WeakPolarHBondContact O-CD1 3.45Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.42Å; L108-I112 PolarHBondContact O-N 3.35Å; L108-L134 HydrophobicContact CD1-CD1 3.47Å; L108-L134 VanDerWaalsContact CD1-CD1 3.47Å; L108-L134 HydrophobicContact CD1-CD2 3.82Å; L108-L134 HydrophobicContact CD1-CG 4.33Å; L108-L134 HydrophobicContact CD2-CD1 3.51Å; L108-L134 HydrophobicContact CG-CD1 3.86Å
109	G	64.7	Low	66.1	Low	20 Å²	20	48.1 Å²	48.1	21%	0.206	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-41.5	171.3	0	0	0	0	0	113	T105 T106 M107 L111 I112 S113	T105-G109 PolarHBondContact O-N 2.85Å; T106-G109 WeakPolarHBondContact O-CA 3.31Å; T106-G109 PolarHBondContact O-N 3.2Å; M107-G109 PolarHBondContact O-N 2.95Å; G109-L111 VanDerWaalsContact C-N 3.34Å; G109-I112 PolarHBondContact O-N 3.25Å; G109-S113 PolarHBondContact O-N 3.32Å
110	A	65	Low	65.3	Low	49 Å²	49	45.9 Å²	45.9	41%	0.405	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-38.8	172.9	0	0	0	0	0	112	T106 M107 S113 V114	T106-A110 PolarHBondContact O-N 3.42Å; T106-A110 VanDerWaalsContact O-N 3.1Å; M107-A110 CarbonylContact O-C 3.52Å; M107-A110 WeakPolarHBondContact O-CA 3.35Å; M107-A110 WeakPolarHBondContact O-CB 3.32Å; M107-A110 PolarHBondContact O-N 3.48Å; A110-S113 WeakPolarHBondContact O-CA 3.29Å; A110-S113 VanDerWaalsContact O-CB 3.26Å; A110-S113 WeakPolarHBondContact O-CB 3.45Å; A110-S113 PolarHBondContact O-N 2.88Å; A110-V114 WeakPolarHBondContact O-CG2 3.25Å; A110-V114 PolarHBondContact O-N 3.42Å
111	L	65.7	Low	64.5	Low	6 Å²	6	48.3 Å²	48.3	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-49.2	172.6	171.5	59.5	0	0	0	111.2	M107 L108 G109 S113 V114 L115 L138 F203 W221	M107-L111 PolarHBondContact O-N 3.2Å; L108-L111 WeakPolarHBondContact O-CB 3.35Å; L108-L111 PolarHBondContact O-N 2.91Å; G109-L111 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 3.24Å; L111-V114 PolarHBondContact O-N 3.44Å; L111-L115 HydrophobicContact CD1-CD1 3.81Å; L111-L115 HydrophobicContact CD1-CG 3.9Å; L111-L115 HydrophobicContact CG-CD1 3.93Å; L111-L115 HydrophobicContact CG-CG 4.41Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.88Å; L111-L138 HydrophobicContact CD2-CD1 4.26Å; L111-F203 HydrophobicContact CD1-CE1 3.47Å; L111-F203 VanDerWaalsContact CD1-CE1 3.47Å; L111-F203 HydrophobicContact CD1-CE2 3.88Å; L111-F203 HydrophobicContact CD1-CZ 3.04Å; L111-F203 HydrophobicContact CD2-CD1 4.32Å; L111-F203 HydrophobicContact CD2-CE1 3.83Å; L111-F203 HydrophobicContact CD2-CZ 4.01Å; L111-F203 HydrophobicContact CG-CE1 4.21Å; L111-F203 HydrophobicContact CG-CZ 4.13Å; L111-W221 HydrophobicContact CB-CH2 3.94Å; L111-W221 HydrophobicContact CB-CZ3 4.08Å; L111-W221 HydrophobicContact CD2-CZ3 4.48Å
112	I	66.2	Low	64.5	Low	20 Å²	20	47.6 Å²	47.6	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-43.1	175.3	-68.7	158.4	0	0	0	109.4	F83 L108 G109 L115 T116 L138 E141 L142	F83-I112 HydrophobicContact CE2-CD1 4.43Å; L108-I112 HydrophobicContact CD2-CD1 4.49Å; L108-I112 WeakPolarHBondContact O-CD1 3.45Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.42Å; L108-I112 PolarHBondContact O-N 3.35Å; G109-I112 PolarHBondContact O-N 3.25Å; I112-L115 PolarHBondContact O-N 2.77Å; I112-T116 HydrophobicContact CG2-CG2 4.29Å; I112-T116 WeakPolarHBondContact O-CB 3.38Å; I112-T116 WeakPolarHBondContact O-CG2 3.43Å; I112-T116 PolarHBondContact O-N 3.42Å; I112-T116 PolarHBondContact O-OG1 3.05Å; I112-L138 HydrophobicContact CG1-CD1 4Å; I112-E141 HydrophobicContact CD1-CB 3.65Å; I112-E141 HydrophobicContact CD1-CG 4.24Å; I112-E141 HydrophobicContact CG1-CB 4.37Å; I112-L142 HydrophobicContact CG2-CD2 4.18Å
113	S	67.6	Low	64.8	Low	66 Å²	66	47.8 Å²	47.8	46%	0.462	29%	0.293	S	S	.	.	H	α-helix	trans	-57.5	-51.1	175.8	-167.6	0	0	0	0	112.4	G109 A110 L111 L115 T116 D117	G109-S113 PolarHBondContact O-N 3.32Å; A110-S113 WeakPolarHBondContact O-CA 3.29Å; A110-S113 VanDerWaalsContact O-CB 3.26Å; A110-S113 WeakPolarHBondContact O-CB 3.45Å; A110-S113 PolarHBondContact O-N 2.88Å; L111-S113 PolarHBondContact O-N 3.24Å; S113-L115 VanDerWaalsContact C-N 3.34Å; S113-L115 PolarHBondContact O-N 3.22Å; S113-T116 VanDerWaalsContact C-OG1 3.3Å; S113-T116 VanDerWaalsContact CA-OG1 3.23Å; S113-T116 WeakPolarHBondContact CA-OG1 3.47Å; S113-T116 PolarHBondContact O-N 3.17Å; S113-T116 PolarHBondContact O-OG1 3Å; S113-D117 WeakPolarHBondContact O-CB 3.26Å; S113-D117 PolarHBondContact O-N 3.26Å
114	V	65.6	Low	65.5	Low	73 Å²	73	46.7 Å²	46.7	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-45.6	178.4	171.3	0	0	0	0	110.8	A110 L111 T116 D117 A118 F201	A110-V114 WeakPolarHBondContact O-CG2 3.25Å; A110-V114 PolarHBondContact O-N 3.42Å; L111-V114 PolarHBondContact O-N 3.44Å; V114-T116 VanDerWaalsContact C-N 3.31Å; V114-T116 PolarHBondContact O-N 3.38Å; V114-D117 PolarHBondContact O-N 3.23Å; V114-A118 PolarHBondContact O-N 3Å; V114-F201 HydrophobicContact CG1-CE1 4.05Å
115	L	67.6	Low	66.4	Low	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-33.6	178.7	-68	175.3	0	0	0	112.2	L111 I112 S113 M120 L123 L138 L142 R144 V176 F201	L111-L115 HydrophobicContact CD1-CD1 3.81Å; L111-L115 HydrophobicContact CD1-CG 3.9Å; L111-L115 HydrophobicContact CG-CD1 3.93Å; L111-L115 HydrophobicContact CG-CG 4.41Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.88Å; I112-L115 PolarHBondContact O-N 2.77Å; S113-L115 VanDerWaalsContact C-N 3.34Å; S113-L115 PolarHBondContact O-N 3.22Å; L115-M120 HydrophobicContact CB-CE 4.4Å; L115-M120 HydrophobicContact CD2-CE 3.4Å; L115-M120 HydrophobicContact CG-CE 4.49Å; L115-L123 HydrophobicContact CD2-CD1 4.39Å; L115-L138 HydrophobicContact CD1-CD2 3.64Å; L115-L138 HydrophobicContact CD1-CG 4.29Å; L115-L142 HydrophobicContact CB-CD2 3.83Å; L115-R144 PolarHBondContact O-NH2 2.89Å; L115-V176 HydrophobicContact CD1-CG2 4.45Å; L115-V176 HydrophobicContact CD2-CG2 3.71Å; L115-F201 HydrophobicContact CD2-CG 4.47Å
116	T	65.6	Low	67.3	Low	61 Å²	61	43.5 Å²	43.5	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-69.6	-43.3	174.7	46.7	0	0	0	0	112.4	I112 S113 V114 L142 R144	I112-T116 HydrophobicContact CG2-CG2 4.29Å; I112-T116 WeakPolarHBondContact O-CB 3.38Å; I112-T116 WeakPolarHBondContact O-CG2 3.43Å; I112-T116 PolarHBondContact O-N 3.42Å; I112-T116 PolarHBondContact O-OG1 3.05Å; S113-T116 VanDerWaalsContact C-OG1 3.3Å; S113-T116 VanDerWaalsContact CA-OG1 3.23Å; S113-T116 WeakPolarHBondContact CA-OG1 3.47Å; S113-T116 PolarHBondContact O-N 3.17Å; S113-T116 PolarHBondContact O-OG1 3Å; V114-T116 VanDerWaalsContact C-N 3.31Å; V114-T116 PolarHBondContact O-N 3.38Å; T116-L142 HydrophobicContact CG2-CD2 3.79Å; T116-R144 PolarHBondContact O-NH2 3.26Å; T116-R144 VanDerWaalsContact O-NH2 3.1Å
117	D	61.9	Low	68.3	Low	135 Å²	135	40 Å²	40	72%	0.722	25%	0.249	S	C	*	.	H	α-helix	trans	-74.8	-29.9	-170.3	-147.8	14.8	0	0	0	112.9	S113 V114 N119	S113-D117 WeakPolarHBondContact O-CB 3.26Å; S113-D117 PolarHBondContact O-N 3.26Å; V114-D117 PolarHBondContact O-N 3.23Å; D117-N119 PolarHBondContact O-N 2.93Å
118	A	55.6	Low	69.3	Low	41 Å²	41	39.4 Å²	39.4	34%	0.339	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	8.7	178.7	0	0	0	0	0	115	V114 M120	V114-A118 PolarHBondContact O-N 3Å; A118-M120 HydrophobicContact CB-CE 4.04Å; A118-M120 HydrophobicContact CB-CG 3.34Å; A118-M120 HydrophobicContact CB-SD 3.6Å; A118-M120 VanDerWaalsContact CB-SD 3.6Å; A118-M120 WeakPolarHBondContact O-CG 3.34Å; A118-M120 PolarHBondContact O-N 2.64Å
119	N	56	Low	69.9	Low	156 Å²	156	45.6 Å²	45.6	83%	0.834	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	33.6	174.1	-130.4	-0.2	0	0	0	113.2	D117 A121	D117-N119 PolarHBondContact O-N 2.93Å; N119-A121 PolarHBondContact O-N 3.28Å
120	M	58.7	Low	70.2	Confident	7 Å²	7	50.4 Å²	50.4	3%	0.034	29%	0.292	C	S	.	.			trans	-78.7	113	-163.1	-51.3	-149.8	-87.1	0	0	111.2	L115 A118 N122 L123 R144 N174 F201	L115-M120 HydrophobicContact CB-CE 4.4Å; L115-M120 HydrophobicContact CD2-CE 3.4Å; L115-M120 HydrophobicContact CG-CE 4.49Å; A118-M120 HydrophobicContact CB-CE 4.04Å; A118-M120 HydrophobicContact CB-CG 3.34Å; A118-M120 HydrophobicContact CB-SD 3.6Å; A118-M120 VanDerWaalsContact CB-SD 3.6Å; A118-M120 WeakPolarHBondContact O-CG 3.34Å; A118-M120 PolarHBondContact O-N 2.64Å; M120-N122 PolarHBondContact O-N 3.22Å; M120-L123 HydrophobicContact CE-CD1 3.82Å; M120-R144 PolarHBondContact O-NH1 3.19Å; M120-N174 HydrophobicContact CB-CB 4.44Å; M120-N174 WeakPolarHBondContact CB-ND2 3.49Å; M120-N174 HydrophobicContact CE-CB 4.05Å; M120-N174 HydrophobicContact CG-CB 4.39Å; M120-N174 VanDerWaalsContact CG-ND2 3.25Å; M120-N174 WeakPolarHBondContact CG-ND2 3.29Å; M120-N174 HydrophobicContact SD-CB 3.23Å; M120-N174 WeakPolarHBondContact SD-CB 3.38Å; M120-N174 PolarHBondContact SD-ND2 3.24Å; M120-F201 HydrophobicContact CE-CD2 4.22Å; M120-F201 HydrophobicContact CE-CE2 3.53Å; M120-F201 HydrophobicContact CE-CZ 3.84Å; M120-F201 HydrophobicContact SD-CE2 3.68Å; M120-F201 HydrophobicContact SD-CZ 4.07Å
121	A	59.2	Low	70.7	Confident	74 Å²	74	48.6 Å²	48.6	61%	0.612	28%	0.275	S	S	*	.	S	Bend	trans	-64.2	-39.8	-175	0	0	0	0	0	113.8	N119 A146	N119-A121 PolarHBondContact O-N 3.28Å; A121-A146 WeakPolarHBondContact O-CB 3.37Å
122	N	72.8	Confident	71.1	Confident	45 Å²	45	51.1 Å²	51.1	24%	0.241	29%	0.286	C	S	.	.			trans	-137.7	132.3	178.5	-75.3	-33	0	0	0	110.1	M120 F171 S173 N174	M120-N122 PolarHBondContact O-N 3.22Å; N122-F171 WeakPolarHBondContact ND2-CB 3.34Å; N122-S173 WeakPolarHBondContact O-CA 3.45Å; N122-N174 PolarHBondContact O-N 3.08Å
123	L	78.4	Confident	71.1	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129	-178	-169.3	75.2	0	0	0	110.5	L115 M120 I125 L142 V148 Q149 N174 V176	L115-L123 HydrophobicContact CD2-CD1 4.39Å; M120-L123 HydrophobicContact CE-CD1 3.82Å; L123-I125 HydrophobicContact CD2-CD1 4.16Å; L123-I125 HydrophobicContact CD2-CG1 4.03Å; L123-I125 HydrophobicContact CG-CG1 4.29Å; L123-L142 HydrophobicContact CD2-CD1 3.74Å; L123-V148 HydrophobicContact CB-CG1 4.43Å; L123-V148 HydrophobicContact CB-CG2 4.42Å; L123-V148 HydrophobicContact CD2-CG1 4.23Å; L123-V148 WeakPolarHBondContact O-CA 3.49Å; L123-Q149 PolarHBondContact O-N 3.4Å; L123-N174 HydrophobicContact CD1-CB 4.26Å; L123-V176 HydrophobicContact CD1-CG2 3.75Å; L123-V176 HydrophobicContact CG-CG2 4.37Å
124	T	81.9	Confident	71.1	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.1	173.7	-56.7	0	0	0	0	108.9	V126 Q149 I151 F165 S173 N174 I175 V176	T124-V126 HydrophobicContact CG2-CG2 4.25Å; T124-Q149 CarbonylContact C-O 3.56Å; T124-Q149 WeakPolarHBondContact CA-O 3.48Å; T124-Q149 HydrophobicContact CG2-CB 4.33Å; T124-I151 HydrophobicContact CG2-CD1 3.58Å; T124-I151 HydrophobicContact CG2-CG1 4.3Å; T124-F165 HydrophobicContact CG2-CZ 4.45Å; T124-S173 PolarHBondContact OG1-OG 2.77Å; T124-N174 PolarHBondContact N-O 2.96Å; T124-I175 CarbonylContact O-C 3.58Å; T124-I175 WeakPolarHBondContact O-CA 3.17Å; T124-V176 PolarHBondContact O-N 3.01Å
125	I	84.5	Confident	71.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115	177.8	-55.6	171.9	0	0	0	108.3	L123 Y127 A135 L138 P139 V148 Q149 L150 I151 V176 M178	L123-I125 HydrophobicContact CD2-CD1 4.16Å; L123-I125 HydrophobicContact CD2-CG1 4.03Å; L123-I125 HydrophobicContact CG-CG1 4.29Å; I125-Y127 HydrophobicContact CG2-CD1 4.25Å; I125-A135 HydrophobicContact CG2-CB 3.97Å; I125-L138 HydrophobicContact CD1-CB 4.05Å; I125-L138 HydrophobicContact CD1-CD2 3.7Å; I125-L138 HydrophobicContact CD1-CG 4.39Å; I125-L138 HydrophobicContact CG1-CD2 4.49Å; I125-P139 HydrophobicContact CD1-CG 4.21Å; I125-V148 HydrophobicContact CD1-CG1 3.57Å; I125-V148 HydrophobicContact CG1-CG1 3.85Å; I125-Q149 PolarHBondContact N-O 3.45Å; I125-L150 HydrophobicContact CB-CD2 3.92Å; I125-L150 HydrophobicContact CD1-CD2 4.2Å; I125-L150 HydrophobicContact CG2-CD2 4.19Å; I125-I151 PolarHBondContact O-N 3.22Å; I125-V176 CarbonylContact C-O 3.45Å; I125-V176 WeakPolarHBondContact CA-O 2.98Å; I125-V176 HydrophobicContact CG1-CB 4.23Å; I125-V176 HydrophobicContact CG2-CG1 4.42Å; I125-M178 HydrophobicContact CG2-CG 4.48Å; I125-M178 HydrophobicContact CG2-SD 4.01Å
126	V	85.5	Confident	72	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.9	174.7	-166.4	0	0	0	0	108.6	T124 I151 L153 L156 F165 I175 V176 I177 M178 F187	T124-V126 HydrophobicContact CG2-CG2 4.25Å; V126-I151 VanDerWaalsContact CA-O 3.27Å; V126-I151 WeakPolarHBondContact CA-O 3.14Å; V126-L153 HydrophobicContact CG1-CB 4.41Å; V126-L153 HydrophobicContact CG1-CD1 3.49Å; V126-L153 VanDerWaalsContact CG1-CD1 3.49Å; V126-L153 HydrophobicContact CG1-CG 4.45Å; V126-L156 HydrophobicContact CG1-CD1 3.87Å; V126-F165 HydrophobicContact CG2-CE2 4.44Å; V126-F165 HydrophobicContact CG2-CZ 4.39Å; V126-I175 HydrophobicContact CG2-CG2 4.01Å; V126-V176 PolarHBondContact N-O 3.14Å; V126-I177 CarbonylContact O-C 3.54Å; V126-I177 WeakPolarHBondContact O-CA 3.39Å; V126-M178 PolarHBondContact O-N 3.12Å; V126-F187 HydrophobicContact CB-CE1 4.34Å; V126-F187 HydrophobicContact CG1-CE1 4.19Å; V126-F187 HydrophobicContact CG1-CZ 4.19Å; V126-F187 HydrophobicContact CG2-CE1 4Å; V126-F187 HydrophobicContact CG2-CZ 4.06Å
127	Y	87.4	Confident	72.3	Confident	15 Å²	15	54.2 Å²	54.2	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.3	-172.6	63.7	-83.9	0	0	0	112.3	I125 E132 A135 L150 I151 M152 L153 M178	I125-Y127 HydrophobicContact CG2-CD1 4.25Å; Y127-E132 HydrophobicContact CD2-CB 4.03Å; Y127-E132 HydrophobicContact CE2-CB 3.77Å; Y127-E132 HydrophobicContact CE2-CG 3.81Å; Y127-A135 HydrophobicContact CD1-CB 3.38Å; Y127-A135 HydrophobicContact CD2-CB 3.75Å; Y127-A135 HydrophobicContact CE1-CB 3.9Å; Y127-A135 HydrophobicContact CE2-CB 4.25Å; Y127-A135 HydrophobicContact CG-CB 3.29Å; Y127-L150 HydrophobicContact CD1-CD2 4.08Å; Y127-L150 HydrophobicContact CE1-CB 3.94Å; Y127-L150 HydrophobicContact CE1-CD2 3.65Å; Y127-L150 HydrophobicContact CE1-CG 4.38Å; Y127-I151 WeakPolarHBondContact CD1-O 3.27Å; Y127-I151 PolarHBondContact N-O 3.08Å; Y127-M152 HydrophobicContact CD2-CG 4.27Å; Y127-M152 HydrophobicContact CE2-CB 4.24Å; Y127-M152 HydrophobicContact CE2-CG 3.84Å; Y127-M152 CarbonylContact O-C 3.48Å; Y127-M152 VanDerWaalsContact O-CA 3.29Å; Y127-M152 WeakPolarHBondContact O-CA 3.37Å; Y127-L153 PolarHBondContact O-N 3.31Å; Y127-M178 VanDerWaalsContact CA-O 3.29Å; Y127-M178 WeakPolarHBondContact CA-O 3.38Å
128	D	82.9	Confident	72.8	Confident	25 Å²	25	47.9 Å²	47.9	13%	0.134	26%	0.259	C	S	.	.			trans	-93.7	179.7	170.1	69.2	25.4	0	0	0	112.7	E130 Y131 E132 M178 T179	D128-E130 PolarHBondContact O-N 3.31Å; D128-E130 WeakPolarHBondContact OD1-CA 3.11Å; D128-E130 WeakPolarHBondContact OD1-CB 3.4Å; D128-E130 PolarHBondContact OD1-N 3.37Å; D128-Y131 PolarHBondContact O-N 2.7Å; D128-Y131 VanDerWaalsContact OD1-CD2 3.29Å; D128-Y131 WeakPolarHBondContact OD1-CD2 3.42Å; D128-Y131 PolarHBondContact OD1-N 3.44Å; D128-Y131 VanDerWaalsContact OD1-N 3.13Å; D128-E132 PolarHBondContact O-N 3.49Å; D128-M178 PolarHBondContact N-O 3.02Å; D128-M178 VanDerWaalsContact N-O 3.14Å; D128-T179 VanDerWaalsContact OD2-CA 3.28Å; D128-T179 WeakPolarHBondContact OD2-CA 3.24Å; D128-T179 WeakPolarHBondContact OD2-CB 3.2Å; D128-T179 PolarHBondContact OD2-OG1 3.39Å
129	E	76.2	Confident	73.6	Confident	157 Å²	157	47.5 Å²	47.5	73%	0.734	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28	179.8	-67.3	-176.5	180	0	0	113.7	M152	E129-M152 HydrophobicContact CG-SD 4.15Å
130	E	69.1	Low	74.2	Confident	122 Å²	122	46 Å²	46	57%	0.57	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-36.6	179.2	-71.6	-169.7	154.8	0	0	111.8	D128 K205	D128-E130 PolarHBondContact O-N 3.31Å; D128-E130 WeakPolarHBondContact OD1-CA 3.11Å; D128-E130 WeakPolarHBondContact OD1-CB 3.4Å; D128-E130 PolarHBondContact OD1-N 3.37Å; E130-K205 IonicContact OE1-NZ 3.57Å; E130-K205 IonicContact OE2-NZ 3.46Å; E130-K205 PolarHBondContact OE2-NZ 3.41Å
131	Y	75.5	Confident	74.5	Confident	11 Å²	11	48.5 Å²	48.5	4%	0.043	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.8	-180	-68.2	-83.5	0	0	0	113.9	D128 S133 L134 A135 M178 K205	D128-Y131 PolarHBondContact O-N 2.7Å; D128-Y131 VanDerWaalsContact OD1-CD2 3.29Å; D128-Y131 WeakPolarHBondContact OD1-CD2 3.42Å; D128-Y131 PolarHBondContact OD1-N 3.44Å; D128-Y131 VanDerWaalsContact OD1-N 3.13Å; Y131-S133 VanDerWaalsContact C-N 3.33Å; Y131-S133 PolarHBondContact O-N 3.23Å; Y131-L134 HydrophobicContact CD1-CD2 4.39Å; Y131-L134 PolarHBondContact O-N 3.05Å; Y131-A135 WeakPolarHBondContact O-CB 3.27Å; Y131-A135 PolarHBondContact O-N 3.16Å; Y131-M178 HydrophobicContact CD1-CB 4.04Å; Y131-M178 HydrophobicContact CD1-CE 3.83Å; Y131-M178 VanDerWaalsContact CD2-C 3.41Å; Y131-M178 HydrophobicContact CD2-CB 4.17Å; Y131-M178 WeakPolarHBondContact CD2-O 3.48Å; Y131-M178 HydrophobicContact CG-CB 3.73Å; Y131-M178 HydrophobicContact CG-CE 4.46Å; Y131-K205 WeakPolarHBondContact OH-CB 3.44Å; Y131-K205 PolarHBondContact OH-N 2.9Å
132	E	75	Confident	75	Confident	58 Å²	58	45.3 Å²	45.3	27%	0.271	23%	0.228	S	C	.	.	H	α-helix	trans	-54.4	-43.9	-175.2	178.4	173.6	-169.1	0	0	113.8	Y127 D128 L134 K136	Y127-E132 HydrophobicContact CD2-CB 4.03Å; Y127-E132 HydrophobicContact CE2-CB 3.77Å; Y127-E132 HydrophobicContact CE2-CG 3.81Å; D128-E132 PolarHBondContact O-N 3.49Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.36Å; E132-K136 HydrophobicContact CG-CD 3.97Å; E132-K136 WeakPolarHBondContact O-CB 3.26Å; E132-K136 VanDerWaalsContact O-CG 3.32Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 3.5Å; E132-K136 VanDerWaalsContact OE1-CE 3.3Å; E132-K136 WeakPolarHBondContact OE1-CE 3.42Å; E132-K136 IonicContact OE1-NZ 2.65Å; E132-K136 PolarHBondContact OE1-NZ 2.93Å
133	S	67.1	Low	74.6	Confident	86 Å²	86	53.8 Å²	53.8	60%	0.601	26%	0.256	S	S	*	.	H	α-helix	trans	-61.7	-43.8	179.1	-173.5	0	0	0	0	111.5	Y131 Q137	Y131-S133 VanDerWaalsContact C-N 3.33Å; Y131-S133 PolarHBondContact O-N 3.23Å; S133-Q137 PolarHBondContact O-N 3.25Å; S133-Q137 VanDerWaalsContact O-N 3.15Å
134	L	67.4	Low	73.7	Confident	23 Å²	23	56.4 Å²	56.4	12%	0.12	27%	0.266	C	S	.	.	H	α-helix	trans	-72	-44.3	-178.2	176.3	53.4	0	0	0	111	L108 Y131 E132 K136 Q137 L138 M178	L108-L134 HydrophobicContact CD1-CD1 3.47Å; L108-L134 VanDerWaalsContact CD1-CD1 3.47Å; L108-L134 HydrophobicContact CD1-CD2 3.82Å; L108-L134 HydrophobicContact CD1-CG 4.33Å; L108-L134 HydrophobicContact CD2-CD1 3.51Å; L108-L134 HydrophobicContact CG-CD1 3.86Å; Y131-L134 HydrophobicContact CD1-CD2 4.39Å; Y131-L134 PolarHBondContact O-N 3.05Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.36Å; L134-K136 VanDerWaalsContact C-N 3.27Å; L134-K136 PolarHBondContact O-N 3.45Å; L134-Q137 PolarHBondContact O-N 3.17Å; L134-Q137 VanDerWaalsContact O-N 3.1Å; L134-L138 PolarHBondContact O-N 3.22Å; L134-M178 HydrophobicContact CB-CE 4.3Å; L134-M178 HydrophobicContact CD2-CE 3.25Å; L134-M178 HydrophobicContact CG-CE 3.54Å
135	A	76.5	Confident	72.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-36.5	176.8	0	0	0	0	0	112.1	I125 Y127 Y131 P139 L150 M178	I125-A135 HydrophobicContact CG2-CB 3.97Å; Y127-A135 HydrophobicContact CD1-CB 3.38Å; Y127-A135 HydrophobicContact CD2-CB 3.75Å; Y127-A135 HydrophobicContact CE1-CB 3.9Å; Y127-A135 HydrophobicContact CE2-CB 4.25Å; Y127-A135 HydrophobicContact CG-CB 3.29Å; Y131-A135 WeakPolarHBondContact O-CB 3.27Å; Y131-A135 PolarHBondContact O-N 3.16Å; A135-P139 WeakPolarHBondContact O-CD 3.45Å; A135-L150 HydrophobicContact CB-CD2 4.02Å; A135-L150 WeakPolarHBondContact O-CD2 3.32Å; A135-M178 HydrophobicContact CB-SD 4.46Å
136	K	75.6	Confident	71.5	Confident	103 Å²	103	66.2 Å²	66.2	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-73.3	-29.3	174.9	-75.1	175.2	172.4	175.3	0	113.6	E132 L134	E132-K136 HydrophobicContact CG-CD 3.97Å; E132-K136 WeakPolarHBondContact O-CB 3.26Å; E132-K136 VanDerWaalsContact O-CG 3.32Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 3.5Å; E132-K136 VanDerWaalsContact OE1-CE 3.3Å; E132-K136 WeakPolarHBondContact OE1-CE 3.42Å; E132-K136 IonicContact OE1-NZ 2.65Å; E132-K136 PolarHBondContact OE1-NZ 2.93Å; L134-K136 VanDerWaalsContact C-N 3.27Å; L134-K136 PolarHBondContact O-N 3.45Å
137	Q	70.2	Confident	70.6	Confident	74 Å²	74	71 Å²	71	35%	0.346	35%	0.354	S	S	.	.	H	α-helix	trans	-78.1	-36.1	176.9	-87.8	-177	-34.4	0	0	113	S133 L134 P139 I140 E141	S133-Q137 PolarHBondContact O-N 3.25Å; S133-Q137 VanDerWaalsContact O-N 3.15Å; L134-Q137 PolarHBondContact O-N 3.17Å; L134-Q137 VanDerWaalsContact O-N 3.1Å; Q137-P139 VanDerWaalsContact C-CD 3.49Å; Q137-I140 WeakPolarHBondContact O-CB 3.48Å; Q137-I140 PolarHBondContact O-N 3.28Å; Q137-E141 PolarHBondContact O-N 3.37Å; Q137-E141 VanDerWaalsContact O-N 3.1Å
138	L	73.2	Confident	70.1	Confident	1 Å²	1	72 Å²	72	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-54.3	-43.9	-173.4	-152.8	72.8	0	0	0	114.1	L111 I112 L115 I125 L134 I140 E141 L142	L111-L138 HydrophobicContact CD2-CD1 4.26Å; I112-L138 HydrophobicContact CG1-CD1 4Å; L115-L138 HydrophobicContact CD1-CD2 3.64Å; L115-L138 HydrophobicContact CD1-CG 4.29Å; I125-L138 HydrophobicContact CD1-CB 4.05Å; I125-L138 HydrophobicContact CD1-CD2 3.7Å; I125-L138 HydrophobicContact CD1-CG 4.39Å; I125-L138 HydrophobicContact CG1-CD2 4.49Å; L134-L138 PolarHBondContact O-N 3.22Å; L138-I140 VanDerWaalsContact C-N 3.3Å; L138-I140 PolarHBondContact O-N 3.19Å; L138-E141 PolarHBondContact O-N 3.19Å; L138-L142 HydrophobicContact CG-CD1 4.18Å; L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 WeakPolarHBondContact O-CD1 3.15Å; L138-L142 VanDerWaalsContact O-CG 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.5Å; L138-L142 PolarHBondContact O-N 3.31Å
139	P	72	Confident	69.9	Low	33 Å²	33	74.9 Å²	74.9	21%	0.214	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-34.2	177.1	-21	31.6	0	0	0	113.5	I125 A135 Q137 V148 L150	I125-P139 HydrophobicContact CD1-CG 4.21Å; A135-P139 WeakPolarHBondContact O-CD 3.45Å; Q137-P139 VanDerWaalsContact C-CD 3.49Å; P139-V148 HydrophobicContact CB-CB 4.1Å; P139-V148 HydrophobicContact CB-CG1 4.35Å; P139-V148 HydrophobicContact CB-CG2 4.17Å; P139-V148 HydrophobicContact CG-CB 4.18Å; P139-V148 HydrophobicContact CG-CG1 3.92Å; P139-L150 HydrophobicContact CG-CD1 4.21Å; P139-L150 HydrophobicContact CG-CD2 4.46Å; P139-L150 HydrophobicContact CG-CG 4.43Å
140	I	69.3	Low	70.2	Confident	125 Å²	125	70.5 Å²	70.5	64%	0.641	36%	0.356	S	S	*	.	H	α-helix	trans	-67.7	-44.7	179.4	-56.7	171.9	0	0	0	109.1	Q137 L138 R143	Q137-I140 WeakPolarHBondContact O-CB 3.48Å; Q137-I140 PolarHBondContact O-N 3.28Å; L138-I140 VanDerWaalsContact C-N 3.3Å; L138-I140 PolarHBondContact O-N 3.19Å; I140-R143 PolarHBondContact O-N 3.39Å
141	E	65.4	Low	70.8	Confident	59 Å²	59	65.8 Å²	65.8	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-73.9	-32.5	-178.5	-66	-61.7	165.9	0	0	113.3	I112 Q137 L138 R143	I112-E141 HydrophobicContact CD1-CB 3.65Å; I112-E141 HydrophobicContact CD1-CG 4.24Å; I112-E141 HydrophobicContact CG1-CB 4.37Å; Q137-E141 PolarHBondContact O-N 3.37Å; Q137-E141 VanDerWaalsContact O-N 3.1Å; L138-E141 PolarHBondContact O-N 3.19Å; E141-R143 PolarHBondContact O-N 3.03Å; E141-R143 VanDerWaalsContact O-N 3.09Å
142	L	68.3	Low	71.1	Confident	8 Å²	8	68 Å²	68	4%	0.042	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.6	176.3	-79	164.8	0	0	0	113.2	I112 L115 T116 L123 L138 R144	I112-L142 HydrophobicContact CG2-CD2 4.18Å; L115-L142 HydrophobicContact CB-CD2 3.83Å; T116-L142 HydrophobicContact CG2-CD2 3.79Å; L123-L142 HydrophobicContact CD2-CD1 3.74Å; L138-L142 HydrophobicContact CG-CD1 4.18Å; L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 WeakPolarHBondContact O-CD1 3.15Å; L138-L142 VanDerWaalsContact O-CG 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.5Å; L138-L142 PolarHBondContact O-N 3.31Å; L142-R144 HydrophobicContact CB-CG 4.28Å; L142-R144 WeakPolarHBondContact O-CG 3.39Å; L142-R144 PolarHBondContact O-N 3.45Å
143	R	64.5	Low	71.2	Confident	223 Å²	223	65.7 Å²	65.7	84%	0.842	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	34.4	-177.5	-65.6	-173.7	-175.7	173.1	3.3	113.5	I140 E141	I140-R143 PolarHBondContact O-N 3.39Å; E141-R143 PolarHBondContact O-N 3.03Å; E141-R143 VanDerWaalsContact O-N 3.09Å
144	R	59.7	Low	71.2	Confident	57 Å²	57	63.8 Å²	63.8	22%	0.215	33%	0.329	C	S	.	.			trans	-89.8	140.7	-175.5	-83.3	-174.3	173	-169.3	-1.1	111.4	L115 T116 M120 L142 A146	L115-R144 PolarHBondContact O-NH2 2.89Å; T116-R144 PolarHBondContact O-NH2 3.26Å; T116-R144 VanDerWaalsContact O-NH2 3.1Å; M120-R144 PolarHBondContact O-NH1 3.19Å; L142-R144 HydrophobicContact CB-CG 4.28Å; L142-R144 WeakPolarHBondContact O-CG 3.39Å; L142-R144 PolarHBondContact O-N 3.45Å; R144-A146 VanDerWaalsContact C-N 3.3Å
145	N	59.4	Low	70.8	Confident	176 Å²	176	65.7 Å²	65.7	94%	0.941	34%	0.344	S	S	*	.	S	Bend	trans	-78.7	-15.6	168.4	-73	-14.7	0	0	0	112.6
146	A	62.2	Low	69.8	Low	34 Å²	34	67.5 Å²	67.5	28%	0.281	35%	0.354	S	S	.	.	S	Bend	trans	-75.1	138.8	177.1	0	0	0	0	0	110.9	A121 R144 V148	A121-A146 WeakPolarHBondContact O-CB 3.37Å; R144-A146 VanDerWaalsContact C-N 3.3Å; A146-V148 PolarHBondContact O-N 2.96Å
147	P	66.6	Low	68.8	Low	101 Å²	101	66.6 Å²	66.6	66%	0.656	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-65.4	123.1	180	26.4	-32.6	0	0	0	110.7
148	V	75.7	Confident	67.9	Low	37 Å²	37	72 Å²	72	22%	0.224	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.1	170.8	-177.2	0	0	0	0	108.8	L123 I125 P139 A146	L123-V148 HydrophobicContact CB-CG1 4.43Å; L123-V148 HydrophobicContact CB-CG2 4.42Å; L123-V148 HydrophobicContact CD2-CG1 4.23Å; L123-V148 WeakPolarHBondContact O-CA 3.49Å; I125-V148 HydrophobicContact CD1-CG1 3.57Å; I125-V148 HydrophobicContact CG1-CG1 3.85Å; P139-V148 HydrophobicContact CB-CB 4.1Å; P139-V148 HydrophobicContact CB-CG1 4.35Å; P139-V148 HydrophobicContact CB-CG2 4.17Å; P139-V148 HydrophobicContact CG-CB 4.18Å; P139-V148 HydrophobicContact CG-CG1 3.92Å; A146-V148 PolarHBondContact O-N 2.96Å
149	Q	80.1	Confident	66.7	Low	84 Å²	84	81.9 Å²	81.9	39%	0.393	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.7	178.4	-166.6	173.6	2.6	0	0	110.1	L123 T124 I125 I151	L123-Q149 PolarHBondContact O-N 3.4Å; T124-Q149 CarbonylContact C-O 3.56Å; T124-Q149 WeakPolarHBondContact CA-O 3.48Å; T124-Q149 HydrophobicContact CG2-CB 4.33Å; I125-Q149 PolarHBondContact N-O 3.45Å; Q149-I151 HydrophobicContact CG-CD1 4.18Å; Q149-I151 HydrophobicContact CG-CG1 4.06Å
150	L	81.5	Confident	65.6	Low	66 Å²	66	90.1 Å²	90.1	35%	0.346	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.8	176.8	-77.9	167.7	0	0	0	110.2	I125 Y127 A135 P139	I125-L150 HydrophobicContact CB-CD2 3.92Å; I125-L150 HydrophobicContact CD1-CD2 4.2Å; I125-L150 HydrophobicContact CG2-CD2 4.19Å; Y127-L150 HydrophobicContact CD1-CD2 4.08Å; Y127-L150 HydrophobicContact CE1-CB 3.94Å; Y127-L150 HydrophobicContact CE1-CD2 3.65Å; Y127-L150 HydrophobicContact CE1-CG 4.38Å; A135-L150 HydrophobicContact CB-CD2 4.02Å; A135-L150 WeakPolarHBondContact O-CD2 3.32Å; P139-L150 HydrophobicContact CG-CD1 4.21Å; P139-L150 HydrophobicContact CG-CD2 4.46Å; P139-L150 HydrophobicContact CG-CG 4.43Å
151	I	81.5	Confident	64.9	Low	23 Å²	23	86.9 Å²	86.9	12%	0.118	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	117.5	-178.6	-55.7	174	0	0	0	109.2	T124 I125 V126 Y127 Q149 L156 F165	T124-I151 HydrophobicContact CG2-CD1 3.58Å; T124-I151 HydrophobicContact CG2-CG1 4.3Å; I125-I151 PolarHBondContact O-N 3.22Å; V126-I151 VanDerWaalsContact CA-O 3.27Å; V126-I151 WeakPolarHBondContact CA-O 3.14Å; Y127-I151 WeakPolarHBondContact CD1-O 3.27Å; Y127-I151 PolarHBondContact N-O 3.08Å; Q149-I151 HydrophobicContact CG-CD1 4.18Å; Q149-I151 HydrophobicContact CG-CG1 4.06Å; I151-L156 HydrophobicContact CG2-CD1 3.44Å; I151-L156 VanDerWaalsContact CG2-CD1 3.44Å; I151-L156 HydrophobicContact CG2-CD2 4.34Å; I151-L156 HydrophobicContact CG2-CG 3.73Å; I151-F165 HydrophobicContact CD1-CD2 4.34Å; I151-F165 HydrophobicContact CD1-CE2 3.69Å
152	M	82.1	Confident	64.4	Low	57 Å²	57	85.5 Å²	85.5	28%	0.281	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.4	174.9	-153.5	-151.1	-73.9	0	0	109.7	Y127 E129 G154 S155	Y127-M152 HydrophobicContact CD2-CG 4.27Å; Y127-M152 HydrophobicContact CE2-CB 4.24Å; Y127-M152 HydrophobicContact CE2-CG 3.84Å; Y127-M152 CarbonylContact O-C 3.48Å; Y127-M152 VanDerWaalsContact O-CA 3.29Å; Y127-M152 WeakPolarHBondContact O-CA 3.37Å; E129-M152 HydrophobicContact CG-SD 4.15Å; M152-G154 VanDerWaalsContact C-N 3.3Å; M152-G154 PolarHBondContact O-N 2.99Å; M152-S155 VanDerWaalsContact O-CB 3.32Å; M152-S155 WeakPolarHBondContact O-CB 3.41Å; M152-S155 PolarHBondContact O-N 2.77Å; M152-S155 PolarHBondContact O-OG 2.95Å
153	L	77.2	Confident	64	Low	10 Å²	10	91 Å²	91	5%	0.052	46%	0.46	C	S	.	.	H	α-helix	trans	-57.4	-39.8	-173.1	-156.5	103.2	0	0	0	112.1	V126 Y127 S155 L156 F157 T179 A183 F187	V126-L153 HydrophobicContact CG1-CB 4.41Å; V126-L153 HydrophobicContact CG1-CD1 3.49Å; V126-L153 VanDerWaalsContact CG1-CD1 3.49Å; V126-L153 HydrophobicContact CG1-CG 4.45Å; Y127-L153 PolarHBondContact O-N 3.31Å; L153-S155 PolarHBondContact O-N 3.47Å; L153-S155 VanDerWaalsContact O-N 3.12Å; L153-L156 WeakPolarHBondContact O-CB 3.29Å; L153-L156 PolarHBondContact O-N 3.41Å; L153-F157 HydrophobicContact CD2-CD2 4.28Å; L153-F157 HydrophobicContact CD2-CE2 3.71Å; L153-F157 HydrophobicContact CG-CD2 4.39Å; L153-F157 HydrophobicContact CG-CE2 4.02Å; L153-F157 PolarHBondContact O-N 3.45Å; L153-T179 HydrophobicContact CD1-CG2 4.39Å; L153-T179 HydrophobicContact CD2-CG2 4.45Å; L153-A183 HydrophobicContact CD2-CB 3.73Å; L153-F187 HydrophobicContact CD1-CB 4.24Å; L153-F187 HydrophobicContact CD1-CD1 4.49Å; L153-F187 HydrophobicContact CD1-CD2 4.37Å; L153-F187 HydrophobicContact CD1-CG 4.11Å
154	G	67.3	Low	64	Low	45 Å²	45	83.1 Å²	83.1	46%	0.464	44%	0.437	S	S	.	.	H	α-helix	trans	-60.4	-23.1	176	0	0	0	0	0	114.1	M152	M152-G154 VanDerWaalsContact C-N 3.3Å; M152-G154 PolarHBondContact O-N 2.99Å
155	S	58.2	Low	64.5	Low	64 Å²	64	80.9 Å²	80.9	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-80.5	-25.5	175.6	78.6	0	0	0	0	113.6	M152 L153	M152-S155 VanDerWaalsContact O-CB 3.32Å; M152-S155 WeakPolarHBondContact O-CB 3.41Å; M152-S155 PolarHBondContact O-N 2.77Å; M152-S155 PolarHBondContact O-OG 2.95Å; L153-S155 PolarHBondContact O-N 3.47Å; L153-S155 VanDerWaalsContact O-N 3.12Å
156	L	55.4	Low	64.9	Low	37 Å²	37	73.9 Å²	73.9	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-73	-53.4	178.7	-82.1	155.5	0	0	0	111	V126 I151 L153 K158 R159 F165 F187	V126-L156 HydrophobicContact CG1-CD1 3.87Å; I151-L156 HydrophobicContact CG2-CD1 3.44Å; I151-L156 VanDerWaalsContact CG2-CD1 3.44Å; I151-L156 HydrophobicContact CG2-CD2 4.34Å; I151-L156 HydrophobicContact CG2-CG 3.73Å; L153-L156 WeakPolarHBondContact O-CB 3.29Å; L153-L156 PolarHBondContact O-N 3.41Å; L156-K158 PolarHBondContact O-N 3.4Å; L156-R159 PolarHBondContact O-N 3.04Å; L156-F165 HydrophobicContact CD2-CB 4.26Å; L156-F165 HydrophobicContact CD2-CD2 3.72Å; L156-F165 HydrophobicContact CD2-CG 4.36Å; L156-F187 HydrophobicContact CD1-CD2 4.4Å; L156-F187 HydrophobicContact CD1-CE2 3.66Å; L156-F187 HydrophobicContact CD1-CZ 4.14Å
157	F	54.9	Low	65.1	Low	84 Å²	84	78.7 Å²	78.7	37%	0.368	41%	0.413	S	S	.	.	H	α-helix	trans	-60.4	-33.5	-178.2	-77.8	-68.7	0	0	0	113.2	L153 Q186	L153-F157 HydrophobicContact CD2-CD2 4.28Å; L153-F157 HydrophobicContact CD2-CE2 3.71Å; L153-F157 HydrophobicContact CG-CD2 4.39Å; L153-F157 HydrophobicContact CG-CE2 4.02Å; L153-F157 PolarHBondContact O-N 3.45Å; F157-Q186 HydrophobicContact CE1-CG 4.04Å; F157-Q186 HydrophobicContact CZ-CB 4.39Å; F157-Q186 HydrophobicContact CZ-CG 3.91Å
158	K	51.9	Low	64.9	Low	188 Å²	188	83 Å²	83	82%	0.817	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.7	-177.4	-86.3	-178.2	176.9	173.4	0	115	L156	L156-K158 PolarHBondContact O-N 3.4Å
159	R	46.8	Very low	64.2	Low	208 Å²	208	81.7 Å²	81.7	79%	0.785	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-8.9	-160.2	-87.4	-169	-180	-173.9	2.4	120.6	L156	L156-R159 PolarHBondContact O-N 3.04Å
160	R	50.1	Low	63	Low	207 Å²	207	82.5 Å²	82.5	78%	0.781	42%	0.419	S	S	*	.	S	Bend	trans	158.8	131.8	165.4	-90.1	146.3	-164.8	-159.2	4.2	107	T164	R160-T164 WeakPolarHBondContact CB-OG1 3.44Å; R160-T164 PolarHBondContact O-OG1 2.85Å
161	G	54.2	Low	61.8	Low	56 Å²	56	85.9 Å²	85.9	58%	0.577	43%	0.431	S	S	*	.			trans	-54.4	172	-169	0	0	0	0	0	117	N163 T164	G161-N163 PolarHBondContact O-N 2.82Å; G161-T164 PolarHBondContact O-N 3.42Å; G161-T164 PolarHBondContact O-OG1 2.85Å
162	S	55	Low	60.5	Low	31 Å²	31	87.3 Å²	87.3	22%	0.217	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-32	-167.7	84.3	0	0	0	0	116.4	T164 F165 C166 E190	S162-T164 PolarHBondContact O-N 3.32Å; S162-T164 VanDerWaalsContact O-N 3.13Å; S162-F165 WeakPolarHBondContact O-CA 3.48Å; S162-F165 WeakPolarHBondContact O-CB 3.48Å; S162-F165 PolarHBondContact O-N 2.92Å; S162-C166 PolarHBondContact O-N 2.99Å; S162-E190 WeakPolarHBondContact CB-O 3.37Å; S162-E190 PolarHBondContact OG-O 3Å
163	N	60.8	Low	59.7	Low	124 Å²	124	84.7 Å²	84.7	66%	0.663	43%	0.434	S	S	*	.	H	α-helix	trans	-54.6	-34.3	175.9	-85.6	-6.1	0	0	0	113	G161 F165 L167	G161-N163 PolarHBondContact O-N 2.82Å; N163-F165 VanDerWaalsContact C-N 3.32Å; N163-L167 WeakPolarHBondContact O-CD1 3.46Å; N163-L167 VanDerWaalsContact O-CG 3.3Å; N163-L167 WeakPolarHBondContact O-CG 3.01Å; N163-L167 PolarHBondContact O-N 3.08Å
164	T	63.8	Low	59.7	Low	57 Å²	57	84.6 Å²	84.6	35%	0.35	43%	0.434	S	S	.	.	H	α-helix	trans	-70.8	-30.1	178.1	-17.6	0	0	0	0	112.3	R160 G161 S162 R168	R160-T164 WeakPolarHBondContact CB-OG1 3.44Å; R160-T164 PolarHBondContact O-OG1 2.85Å; G161-T164 PolarHBondContact O-N 3.42Å; G161-T164 PolarHBondContact O-OG1 2.85Å; S162-T164 PolarHBondContact O-N 3.32Å; S162-T164 VanDerWaalsContact O-N 3.13Å; T164-R168 WeakPolarHBondContact O-CB 3.35Å; T164-R168 PolarHBondContact O-N 2.91Å
165	F	69.7	Low	60.5	Low	10 Å²	10	82.5 Å²	82.5	4%	0.044	41%	0.412	C	S	.	.	H	α-helix	trans	-69.9	-49.5	175.4	-179.7	-95.8	0	0	0	110.5	T124 V126 I151 L156 S162 N163 L167 R168 V169 I175 F187 I191	T124-F165 HydrophobicContact CG2-CZ 4.45Å; V126-F165 HydrophobicContact CG2-CE2 4.44Å; V126-F165 HydrophobicContact CG2-CZ 4.39Å; I151-F165 HydrophobicContact CD1-CD2 4.34Å; I151-F165 HydrophobicContact CD1-CE2 3.69Å; L156-F165 HydrophobicContact CD2-CB 4.26Å; L156-F165 HydrophobicContact CD2-CD2 3.72Å; L156-F165 HydrophobicContact CD2-CG 4.36Å; S162-F165 WeakPolarHBondContact O-CA 3.48Å; S162-F165 WeakPolarHBondContact O-CB 3.48Å; S162-F165 PolarHBondContact O-N 2.92Å; N163-F165 VanDerWaalsContact C-N 3.32Å; F165-L167 PolarHBondContact O-N 2.88Å; F165-R168 PolarHBondContact O-N 2.8Å; F165-V169 HydrophobicContact CD1-CG2 4.33Å; F165-V169 HydrophobicContact CE1-CG2 3.93Å; F165-V169 HydrophobicContact CE2-CG2 4.16Å; F165-V169 HydrophobicContact CZ-CG2 3.84Å; F165-V169 WeakPolarHBondContact O-CG2 2.98Å; F165-V169 PolarHBondContact O-N 3.35Å; F165-I175 HydrophobicContact CE1-CD1 3.67Å; F165-I175 HydrophobicContact CZ-CD1 3.74Å; F165-F187 HydrophobicContact CD1-CZ 4.28Å; F165-F187 HydrophobicContact CD2-CZ 4.35Å; F165-F187 AromaticContact CE1-CZ 3.92Å; F165-F187 HydrophobicContact CE1-CZ 3.92Å; F165-F187 AromaticContact CE2-CZ 3.98Å; F165-F187 HydrophobicContact CE2-CZ 3.98Å; F165-F187 HydrophobicContact CG-CZ 4.48Å; F165-F187 AromaticContact CZ-CZ 3.77Å; F165-F187 HydrophobicContact CZ-CZ 3.77Å; F165-I191 HydrophobicContact CD1-CG2 3.69Å; F165-I191 HydrophobicContact CE1-CG2 4.02Å
166	C	68.5	Low	61.8	Low	29 Å²	29	79.4 Å²	79.4	20%	0.196	39%	0.39	C	S	.	.	H	α-helix	trans	-56.2	-36.7	176	-57	0	0	0	0	112.1	S162 C194	S162-C166 PolarHBondContact O-N 2.99Å; C166-C194 VanDerWaalsContact CA-SG 3.51Å; C166-C194 HydrophobicContact CB-CB 3.85Å; C166-C194 WeakPolarHBondContact CB-SG 3.49Å; C166-C194 VanDerWaalsContact SG-CA 3.56Å; C166-C194 WeakPolarHBondContact SG-CB 3.46Å; C166-C194 CovalentContact SG-SG 2.02Å; C166-C194 PolarHBondContact SG-SG 2.91Å
167	L	66.7	Low	63.3	Low	135 Å²	135	77.7 Å²	77.7	71%	0.707	38%	0.381	S	S	*	.	H	α-helix	trans	-74.8	-31.3	178	-73	168	0	0	0	113.8	N163 F165	N163-L167 WeakPolarHBondContact O-CD1 3.46Å; N163-L167 VanDerWaalsContact O-CG 3.3Å; N163-L167 WeakPolarHBondContact O-CG 3.01Å; N163-L167 PolarHBondContact O-N 3.08Å; F165-L167 PolarHBondContact O-N 2.88Å
168	R	61.6	Low	64.7	Low	192 Å²	192	73.7 Å²	73.7	73%	0.725	36%	0.364	S	S	*	.	H	α-helix	trans	-78.2	-29.9	179.3	-101	-177.1	172.2	175.7	-2.8	113.1	T164 F165 T170	T164-R168 WeakPolarHBondContact O-CB 3.35Å; T164-R168 PolarHBondContact O-N 2.91Å; F165-R168 PolarHBondContact O-N 2.8Å; R168-T170 PolarHBondContact O-N 2.86Å
169	V	61	Low	66.2	Low	8 Å²	8	64.9 Å²	64.9	5%	0.048	33%	0.325	C	S	.	.			trans	-76.8	76.1	171.5	-178.4	0	0	0	0	107.3	F165 F171 S173 S196	F165-V169 HydrophobicContact CD1-CG2 4.33Å; F165-V169 HydrophobicContact CE1-CG2 3.93Å; F165-V169 HydrophobicContact CE2-CG2 4.16Å; F165-V169 HydrophobicContact CZ-CG2 3.84Å; F165-V169 WeakPolarHBondContact O-CG2 2.98Å; F165-V169 PolarHBondContact O-N 3.35Å; V169-F171 WeakPolarHBondContact CG1-O 3.36Å; V169-F171 PolarHBondContact O-N 3.4Å; V169-S173 WeakPolarHBondContact CG1-OG 3.23Å; V169-S196 WeakPolarHBondContact O-CB 3.36Å; V169-S196 PolarHBondContact O-OG 3.05Å
170	T	55	Low	67.8	Low	102 Å²	102	56.8 Å²	56.8	63%	0.626	30%	0.298	S	S	*	.			trans	-71.5	-11.9	-172.7	52.5	0	0	0	0	113.7	R168	R168-T170 PolarHBondContact O-N 2.86Å
171	F	57.1	Low	69.1	Low	136 Å²	136	47 Å²	47	60%	0.596	26%	0.261	S	S	*	.	S	Bend	trans	-129.4	148	-180	-61.4	-74.9	0	0	0	109.4	N122 V169 S173	N122-F171 WeakPolarHBondContact ND2-CB 3.34Å; V169-F171 WeakPolarHBondContact CG1-O 3.36Å; V169-F171 PolarHBondContact O-N 3.4Å; F171-S173 PolarHBondContact O-N 2.94Å
172	A	53.8	Low	70.2	Confident	53 Å²	53	49.9 Å²	49.9	44%	0.438	26%	0.26	S	S	.	.			trans	-47.7	99.7	169.4	0	0	0	0	0	109.6	S196 L198	A172-S196 WeakPolarHBondContact CA-O 3.33Å; A172-L198 HydrophobicContact CB-CD1 3.73Å; A172-L198 HydrophobicContact CB-CD2 4.38Å; A172-L198 HydrophobicContact CB-CG 3.86Å
173	S	65.3	Low	71.4	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.3	-174.6	80.5	0	0	0	0	110	N122 T124 V169 F171 S196 L198	N122-S173 WeakPolarHBondContact O-CA 3.45Å; T124-S173 PolarHBondContact OG1-OG 2.77Å; V169-S173 WeakPolarHBondContact CG1-OG 3.23Å; F171-S173 PolarHBondContact O-N 2.94Å; S173-S196 PolarHBondContact N-O 3.33Å; S173-S196 VanDerWaalsContact N-O 3.1Å; S173-L198 PolarHBondContact O-N 3.38Å
174	N	77.7	Confident	72.4	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136.1	172.3	-68.3	-46.7	0	0	0	108.7	M120 N122 L123 T124 L198 E199 F201	M120-N174 HydrophobicContact CB-CB 4.44Å; M120-N174 WeakPolarHBondContact CB-ND2 3.49Å; M120-N174 HydrophobicContact CE-CB 4.05Å; M120-N174 HydrophobicContact CG-CB 4.39Å; M120-N174 VanDerWaalsContact CG-ND2 3.25Å; M120-N174 WeakPolarHBondContact CG-ND2 3.29Å; M120-N174 HydrophobicContact SD-CB 3.23Å; M120-N174 WeakPolarHBondContact SD-CB 3.38Å; M120-N174 PolarHBondContact SD-ND2 3.24Å; N122-N174 PolarHBondContact O-N 3.08Å; L123-N174 HydrophobicContact CD1-CB 4.26Å; T124-N174 PolarHBondContact N-O 2.96Å; N174-L198 WeakPolarHBondContact OD1-CB 3.32Å; N174-E199 WeakPolarHBondContact CA-O 3.38Å; N174-E199 WeakPolarHBondContact OD1-CA 3.45Å; N174-E199 VanDerWaalsContact OD1-CB 3.31Å; N174-E199 WeakPolarHBondContact OD1-CB 3.42Å; N174-E199 PolarHBondContact OD1-N 3.4Å; N174-F201 HydrophobicContact CB-CE2 4.36Å
175	I	83.7	Confident	73.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.6	-174.2	-64.9	178.3	0	0	0	109	T124 V126 F165 I177 I191 I197 E199 F201	T124-I175 CarbonylContact O-C 3.58Å; T124-I175 WeakPolarHBondContact O-CA 3.17Å; V126-I175 HydrophobicContact CG2-CG2 4.01Å; F165-I175 HydrophobicContact CE1-CD1 3.67Å; F165-I175 HydrophobicContact CZ-CD1 3.74Å; I175-I177 HydrophobicContact CG2-CD1 4.29Å; I175-I177 HydrophobicContact CG2-CG1 3.71Å; I175-I191 HydrophobicContact CD1-CD1 4.47Å; I175-I197 HydrophobicContact CD1-CB 4.33Å; I175-I197 HydrophobicContact CD1-CD1 3.51Å; I175-I197 HydrophobicContact CD1-CG1 3.58Å; I175-I197 HydrophobicContact CD1-CG2 3.82Å; I175-I197 HydrophobicContact CG1-CG2 4.11Å; I175-E199 PolarHBondContact N-O 3.1Å; I175-F201 PolarHBondContact O-N 2.62Å
176	V	84.5	Confident	73.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.4	172	175.6	0	0	0	0	107.9	L115 L123 T124 I125 V126 M178 F201 F203	L115-V176 HydrophobicContact CD1-CG2 4.45Å; L115-V176 HydrophobicContact CD2-CG2 3.71Å; L123-V176 HydrophobicContact CD1-CG2 3.75Å; L123-V176 HydrophobicContact CG-CG2 4.37Å; T124-V176 PolarHBondContact O-N 3.01Å; I125-V176 CarbonylContact C-O 3.45Å; I125-V176 WeakPolarHBondContact CA-O 2.98Å; I125-V176 HydrophobicContact CG1-CB 4.23Å; I125-V176 HydrophobicContact CG2-CG1 4.42Å; V126-V176 PolarHBondContact N-O 3.14Å; V176-M178 HydrophobicContact CG1-CG 3.84Å; V176-M178 HydrophobicContact CG1-SD 4.14Å; V176-F201 CarbonylContact C-O 3.54Å; V176-F201 WeakPolarHBondContact CA-O 3.12Å; V176-F201 HydrophobicContact CG2-CB 4.15Å; V176-F203 HydrophobicContact CG1-CD2 3.71Å; V176-F203 HydrophobicContact CG1-CE2 3.74Å
177	I	86.3	Confident	74.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.7	179.6	-58.7	170	0	0	0	108.2	V126 I175 T179 A184 F187 L188 F201 V202 F203	V126-I177 CarbonylContact O-C 3.54Å; V126-I177 WeakPolarHBondContact O-CA 3.39Å; I175-I177 HydrophobicContact CG2-CD1 4.29Å; I175-I177 HydrophobicContact CG2-CG1 3.71Å; I177-T179 HydrophobicContact CG2-CG2 3.82Å; I177-A184 HydrophobicContact CG2-CB 4.1Å; I177-F187 HydrophobicContact CD1-CD1 3.71Å; I177-F187 HydrophobicContact CD1-CE1 4.02Å; I177-F187 HydrophobicContact CG1-CD1 4.14Å; I177-F187 HydrophobicContact CG1-CE1 4.19Å; I177-L188 HydrophobicContact CD1-CD1 4.35Å; I177-L188 HydrophobicContact CD1-CD2 3.51Å; I177-L188 HydrophobicContact CD1-CG 3.72Å; I177-F201 PolarHBondContact N-O 3.28Å; I177-V202 HydrophobicContact CB-CG1 4.46Å; I177-V202 HydrophobicContact CB-CG2 4.42Å; I177-V202 HydrophobicContact CD1-CG2 4.23Å; I177-F203 PolarHBondContact O-N 2.73Å
178	M	84.5	Confident	74.7	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	88.7	-178.3	-50.3	-174.6	67.9	0	0	109.5	I125 V126 Y127 D128 Y131 L134 A135 V176 F203	I125-M178 HydrophobicContact CG2-CG 4.48Å; I125-M178 HydrophobicContact CG2-SD 4.01Å; V126-M178 PolarHBondContact O-N 3.12Å; Y127-M178 VanDerWaalsContact CA-O 3.29Å; Y127-M178 WeakPolarHBondContact CA-O 3.38Å; D128-M178 PolarHBondContact N-O 3.02Å; D128-M178 VanDerWaalsContact N-O 3.14Å; Y131-M178 HydrophobicContact CD1-CB 4.04Å; Y131-M178 HydrophobicContact CD1-CE 3.83Å; Y131-M178 VanDerWaalsContact CD2-C 3.41Å; Y131-M178 HydrophobicContact CD2-CB 4.17Å; Y131-M178 WeakPolarHBondContact CD2-O 3.48Å; Y131-M178 HydrophobicContact CG-CB 3.73Å; Y131-M178 HydrophobicContact CG-CE 4.46Å; L134-M178 HydrophobicContact CB-CE 4.3Å; L134-M178 HydrophobicContact CD2-CE 3.25Å; L134-M178 HydrophobicContact CG-CE 3.54Å; A135-M178 HydrophobicContact CB-SD 4.46Å; V176-M178 HydrophobicContact CG1-CG 3.84Å; V176-M178 HydrophobicContact CG1-SD 4.14Å; M178-F203 WeakPolarHBondContact CA-O 3.38Å; M178-F203 HydrophobicContact CB-CB 4.47Å; M178-F203 HydrophobicContact CG-CB 4.19Å; M178-F203 HydrophobicContact CG-CD2 4.29Å
179	T	84.8	Confident	75.4	Confident	2 Å²	2	31 Å²	31	1%	0.012	17%	0.172	C	C	.	.	S	Bend	trans	-161.1	179.5	-177.4	-168.3	0	0	0	0	110.9	D128 L153 I177 A183 A184 F203 T204	D128-T179 VanDerWaalsContact OD2-CA 3.28Å; D128-T179 WeakPolarHBondContact OD2-CA 3.24Å; D128-T179 WeakPolarHBondContact OD2-CB 3.2Å; D128-T179 PolarHBondContact OD2-OG1 3.39Å; L153-T179 HydrophobicContact CD1-CG2 4.39Å; L153-T179 HydrophobicContact CD2-CG2 4.45Å; I177-T179 HydrophobicContact CG2-CG2 3.82Å; T179-A183 HydrophobicContact CG2-CB 4.01Å; T179-A184 HydrophobicContact CG2-CB 3.74Å; T179-F203 PolarHBondContact N-O 3.23Å; T179-F203 VanDerWaalsContact N-O 3.15Å; T179-T204 VanDerWaalsContact O-CA 3.23Å; T179-T204 WeakPolarHBondContact O-CA 3.28Å
180	N	80.2	Confident	76.1	Confident	38 Å²	38	34.1 Å²	34.1	20%	0.203	19%	0.186	C	C	.	.			trans	-68.7	163	176.3	73.1	-26.5	0	0	0	112.5	E182 A183 A184 D206	N180-E182 VanDerWaalsContact C-N 3.34Å; N180-E182 PolarHBondContact O-N 3.42Å; N180-A183 PolarHBondContact O-N 3.39Å; N180-A183 WeakPolarHBondContact OD1-CB 3.28Å; N180-A183 PolarHBondContact OD1-N 3.4Å; N180-A184 WeakPolarHBondContact O-CB 3.35Å; N180-A184 PolarHBondContact O-N 2.9Å; N180-D206 WeakPolarHBondContact CA-OD1 3.41Å; N180-D206 WeakPolarHBondContact CB-OD1 3.34Å
181	T	76.3	Confident	77.1	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-49.7	-52.7	-177.3	-35	0	0	0	0	111.8	A183 A184 E185 T204 D206 C207 S209 L213	T181-A183 PolarHBondContact O-N 2.96Å; T181-A184 PolarHBondContact O-N 3.47Å; T181-E185 WeakPolarHBondContact O-CB 3.23Å; T181-E185 PolarHBondContact O-N 3.5Å; T181-T204 WeakPolarHBondContact CA-OG1 3.19Å; T181-T204 PolarHBondContact N-OG1 3.34Å; T181-T204 PolarHBondContact OG1-OG1 3.23Å; T181-D206 PolarHBondContact N-OD1 3.49Å; T181-D206 PolarHBondContact OG1-O 3.43Å; T181-D206 PolarHBondContact OG1-OD1 2.9Å; T181-C207 PolarHBondContact OG1-N 3.28Å; T181-S209 WeakPolarHBondContact CG2-O 3.42Å; T181-L213 HydrophobicContact CG2-CD1 3.24Å; T181-L213 WeakPolarHBondContact O-CD1 3.41Å
182	E	77.3	Confident	77.8	Confident	116 Å²	116	25.5 Å²	25.5	54%	0.542	14%	0.144	S	C	.	.	H	α-helix	trans	-63.4	-45.5	-174.5	-70.6	174.6	-177.8	0	0	112.6	N180 A184 E185 Q186	N180-E182 VanDerWaalsContact C-N 3.34Å; N180-E182 PolarHBondContact O-N 3.42Å; E182-A184 VanDerWaalsContact C-N 3.34Å; E182-E185 PolarHBondContact O-N 3.38Å; E182-Q186 WeakPolarHBondContact O-CB 3.16Å; E182-Q186 PolarHBondContact O-N 3.4Å
183	A	80.2	Confident	78.7	Confident	15 Å²	15	30.3 Å²	30.3	12%	0.124	16%	0.162	C	C	.	.	H	α-helix	trans	-72.8	-31.3	-179.4	0	0	0	0	0	111.9	L153 T179 N180 T181 F187	L153-A183 HydrophobicContact CD2-CB 3.73Å; T179-A183 HydrophobicContact CG2-CB 4.01Å; N180-A183 PolarHBondContact O-N 3.39Å; N180-A183 WeakPolarHBondContact OD1-CB 3.28Å; N180-A183 PolarHBondContact OD1-N 3.4Å; T181-A183 PolarHBondContact O-N 2.96Å; A183-F187 VanDerWaalsContact O-CB 3.27Å; A183-F187 WeakPolarHBondContact O-CB 3.48Å; A183-F187 PolarHBondContact O-N 3.02Å
184	A	81.7	Confident	79	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-46.1	172.4	0	0	0	0	0	110.7	I177 T179 N180 T181 E182 F187 L188 V202 L213	I177-A184 HydrophobicContact CG2-CB 4.1Å; T179-A184 HydrophobicContact CG2-CB 3.74Å; N180-A184 WeakPolarHBondContact O-CB 3.35Å; N180-A184 PolarHBondContact O-N 2.9Å; T181-A184 PolarHBondContact O-N 3.47Å; E182-A184 VanDerWaalsContact C-N 3.34Å; A184-F187 PolarHBondContact O-N 2.98Å; A184-L188 VanDerWaalsContact O-CB 3.24Å; A184-L188 WeakPolarHBondContact O-CB 3.23Å; A184-L188 WeakPolarHBondContact O-CD1 3.28Å; A184-L188 WeakPolarHBondContact O-CG 3.28Å; A184-L188 PolarHBondContact O-N 3.3Å; A184-V202 HydrophobicContact CB-CG1 3.94Å; A184-L213 HydrophobicContact CB-CD1 4.45Å; A184-L213 HydrophobicContact CB-CD2 4.37Å
185	E	78.9	Confident	78.5	Confident	27 Å²	27	35.5 Å²	35.5	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-47.7	176.2	-114.1	170.6	-162.5	0	0	112	T181 E182 F187 L188 G189 S209 N212 L213	T181-E185 WeakPolarHBondContact O-CB 3.23Å; T181-E185 PolarHBondContact O-N 3.5Å; E182-E185 PolarHBondContact O-N 3.38Å; E185-F187 PolarHBondContact O-N 3.02Å; E185-L188 PolarHBondContact O-N 3.26Å; E185-G189 PolarHBondContact O-N 3.49Å; E185-S209 WeakPolarHBondContact OE2-CB 3.35Å; E185-S209 PolarHBondContact OE2-OG 2.77Å; E185-N212 HydrophobicContact CG-CB 3.94Å; E185-N212 WeakPolarHBondContact OE1-CB 3.36Å; E185-N212 PolarHBondContact OE1-N 3.04Å; E185-L213 HydrophobicContact CB-CD1 4.14Å; E185-L213 HydrophobicContact CG-CB 4.08Å; E185-L213 HydrophobicContact CG-CD1 3.63Å; E185-L213 HydrophobicContact CG-CG 3.78Å; E185-L213 PolarHBondContact OE1-N 3.13Å
186	Q	78.8	Confident	77.8	Confident	108 Å²	108	36.8 Å²	36.8	51%	0.505	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-45.6	178.6	-171.7	178.5	2.8	0	0	111.5	F157 E182 E190	F157-Q186 HydrophobicContact CE1-CG 4.04Å; F157-Q186 HydrophobicContact CZ-CB 4.39Å; F157-Q186 HydrophobicContact CZ-CG 3.91Å; E182-Q186 WeakPolarHBondContact O-CB 3.16Å; E182-Q186 PolarHBondContact O-N 3.4Å; Q186-E190 PolarHBondContact O-N 2.79Å
187	F	80.2	Confident	76.9	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-41.7	179	-178	-108.3	0	0	0	112.4	V126 L153 L156 F165 I177 A183 A184 E185 E190 I191	V126-F187 HydrophobicContact CB-CE1 4.34Å; V126-F187 HydrophobicContact CG1-CE1 4.19Å; V126-F187 HydrophobicContact CG1-CZ 4.19Å; V126-F187 HydrophobicContact CG2-CE1 4Å; V126-F187 HydrophobicContact CG2-CZ 4.06Å; L153-F187 HydrophobicContact CD1-CB 4.24Å; L153-F187 HydrophobicContact CD1-CD1 4.49Å; L153-F187 HydrophobicContact CD1-CD2 4.37Å; L153-F187 HydrophobicContact CD1-CG 4.11Å; L156-F187 HydrophobicContact CD1-CD2 4.4Å; L156-F187 HydrophobicContact CD1-CE2 3.66Å; L156-F187 HydrophobicContact CD1-CZ 4.14Å; F165-F187 HydrophobicContact CD1-CZ 4.28Å; F165-F187 HydrophobicContact CD2-CZ 4.35Å; F165-F187 AromaticContact CE1-CZ 3.92Å; F165-F187 HydrophobicContact CE1-CZ 3.92Å; F165-F187 AromaticContact CE2-CZ 3.98Å; F165-F187 HydrophobicContact CE2-CZ 3.98Å; F165-F187 HydrophobicContact CG-CZ 4.48Å; F165-F187 AromaticContact CZ-CZ 3.77Å; F165-F187 HydrophobicContact CZ-CZ 3.77Å; I177-F187 HydrophobicContact CD1-CD1 3.71Å; I177-F187 HydrophobicContact CD1-CE1 4.02Å; I177-F187 HydrophobicContact CG1-CD1 4.14Å; I177-F187 HydrophobicContact CG1-CE1 4.19Å; A183-F187 VanDerWaalsContact O-CB 3.27Å; A183-F187 WeakPolarHBondContact O-CB 3.48Å; A183-F187 PolarHBondContact O-N 3.02Å; A184-F187 PolarHBondContact O-N 2.98Å; E185-F187 PolarHBondContact O-N 3.02Å; F187-E190 WeakPolarHBondContact O-CB 3.12Å; F187-E190 PolarHBondContact O-N 2.92Å; F187-I191 HydrophobicContact CD1-CD1 4.08Å; F187-I191 HydrophobicContact CE1-CD1 3.74Å; F187-I191 HydrophobicContact CE1-CG2 4.39Å; F187-I191 HydrophobicContact CE2-CG2 4.1Å; F187-I191 HydrophobicContact CZ-CD1 4.32Å; F187-I191 HydrophobicContact CZ-CG2 4.02Å; F187-I191 WeakPolarHBondContact O-CG1 3.47Å; F187-I191 PolarHBondContact O-N 3.17Å
188	L	79.2	Confident	76.2	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-42.9	176.9	-78.4	164	0	0	0	111.9	I177 A184 E185 E190 I191 T192 K200 V202 L213 Y216	I177-L188 HydrophobicContact CD1-CD1 4.35Å; I177-L188 HydrophobicContact CD1-CD2 3.51Å; I177-L188 HydrophobicContact CD1-CG 3.72Å; A184-L188 VanDerWaalsContact O-CB 3.24Å; A184-L188 WeakPolarHBondContact O-CB 3.23Å; A184-L188 WeakPolarHBondContact O-CD1 3.28Å; A184-L188 WeakPolarHBondContact O-CG 3.28Å; A184-L188 PolarHBondContact O-N 3.3Å; E185-L188 PolarHBondContact O-N 3.26Å; L188-E190 VanDerWaalsContact C-N 3.28Å; L188-E190 PolarHBondContact O-N 3.48Å; L188-I191 HydrophobicContact CD2-CD1 4.24Å; L188-I191 WeakPolarHBondContact O-CG1 3.48Å; L188-I191 PolarHBondContact O-N 2.8Å; L188-T192 WeakPolarHBondContact O-CG2 3.25Å; L188-T192 PolarHBondContact O-N 3.26Å; L188-K200 HydrophobicContact CD2-CB 4.34Å; L188-K200 HydrophobicContact CD2-CD 4Å; L188-K200 HydrophobicContact CD2-CG 4.4Å; L188-V202 HydrophobicContact CD1-CG2 3.79Å; L188-V202 HydrophobicContact CD2-CG2 4.44Å; L188-L213 HydrophobicContact CD1-CD2 4.28Å; L188-L213 HydrophobicContact CD1-CG 4.41Å; L188-Y216 HydrophobicContact CB-CD2 4.09Å; L188-Y216 HydrophobicContact CB-CG 4.11Å
189	G	76.9	Confident	75.9	Confident	27 Å²	27	46.8 Å²	46.8	28%	0.278	27%	0.265	S	S	.	.	H	α-helix	trans	-57.9	-41	175.4	0	0	0	0	0	112.2	E185 I191 T192	E185-G189 PolarHBondContact O-N 3.49Å; G189-I191 PolarHBondContact O-N 2.77Å; G189-T192 WeakPolarHBondContact O-CG2 3.5Å; G189-T192 PolarHBondContact O-OG1 2.83Å
190	E	76.2	Confident	75.7	Confident	73 Å²	73	48.4 Å²	48.4	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-68.5	-29.8	179.4	-86.6	-170.5	-157.9	0	0	114.6	S162 Q186 F187 L188	S162-E190 WeakPolarHBondContact CB-O 3.37Å; S162-E190 PolarHBondContact OG-O 3Å; Q186-E190 PolarHBondContact O-N 2.79Å; F187-E190 WeakPolarHBondContact O-CB 3.12Å; F187-E190 PolarHBondContact O-N 2.92Å; L188-E190 VanDerWaalsContact C-N 3.28Å; L188-E190 PolarHBondContact O-N 3.48Å
191	I	76	Confident	75.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-100.1	4	-177.6	69.5	-177.2	0	0	0	113.7	F165 I175 F187 L188 G189 N193 C194 I197	F165-I191 HydrophobicContact CD1-CG2 3.69Å; F165-I191 HydrophobicContact CE1-CG2 4.02Å; I175-I191 HydrophobicContact CD1-CD1 4.47Å; F187-I191 HydrophobicContact CD1-CD1 4.08Å; F187-I191 HydrophobicContact CE1-CD1 3.74Å; F187-I191 HydrophobicContact CE1-CG2 4.39Å; F187-I191 HydrophobicContact CE2-CG2 4.1Å; F187-I191 HydrophobicContact CZ-CD1 4.32Å; F187-I191 HydrophobicContact CZ-CG2 4.02Å; F187-I191 WeakPolarHBondContact O-CG1 3.47Å; F187-I191 PolarHBondContact O-N 3.17Å; L188-I191 HydrophobicContact CD2-CD1 4.24Å; L188-I191 WeakPolarHBondContact O-CG1 3.48Å; L188-I191 PolarHBondContact O-N 2.8Å; G189-I191 PolarHBondContact O-N 2.77Å; I191-N193 PolarHBondContact O-N 3.41Å; I191-N193 VanDerWaalsContact O-N 3.08Å; I191-C194 WeakPolarHBondContact O-CB 3.17Å; I191-C194 PolarHBondContact O-N 2.71Å; I191-I197 HydrophobicContact CB-CD1 3.98Å; I191-I197 HydrophobicContact CD1-CD1 3.81Å; I191-I197 HydrophobicContact CG1-CD1 4.04Å
192	T	72.2	Confident	76	Confident	58 Å²	58	46.6 Å²	46.6	36%	0.356	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-36.7	-179.5	42.3	0	0	0	0	113.7	L188 G189 Y216	L188-T192 WeakPolarHBondContact O-CG2 3.25Å; L188-T192 PolarHBondContact O-N 3.26Å; G189-T192 WeakPolarHBondContact O-CG2 3.5Å; G189-T192 PolarHBondContact O-OG1 2.83Å; T192-Y216 HydrophobicContact CG2-CD1 3.56Å; T192-Y216 HydrophobicContact CG2-CE1 3.21Å
193	N	71	Confident	75.9	Confident	153 Å²	153	41.7 Å²	41.7	82%	0.818	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	1.4	-179.2	-68.9	-24.7	0	0	0	114.5	I191 A195	I191-N193 PolarHBondContact O-N 3.41Å; I191-N193 VanDerWaalsContact O-N 3.08Å; N193-A195 PolarHBondContact O-N 3.48Å
194	C	72.5	Confident	75.7	Confident	12 Å²	12	41.1 Å²	41.1	8%	0.081	23%	0.234	C	C	.	.			trans	-75.3	106.3	177.3	-58.6	0	0	0	0	110.3	C166 I191 S196 I197	C166-C194 VanDerWaalsContact CA-SG 3.51Å; C166-C194 HydrophobicContact CB-CB 3.85Å; C166-C194 WeakPolarHBondContact CB-SG 3.49Å; C166-C194 VanDerWaalsContact SG-CA 3.56Å; C166-C194 WeakPolarHBondContact SG-CB 3.46Å; C166-C194 CovalentContact SG-SG 2.02Å; C166-C194 PolarHBondContact SG-SG 2.91Å; I191-C194 WeakPolarHBondContact O-CB 3.17Å; I191-C194 PolarHBondContact O-N 2.71Å; C194-S196 PolarHBondContact O-N 3.26Å; C194-I197 HydrophobicContact CB-CD1 3.54Å; C194-I197 HydrophobicContact CB-CG1 3.88Å
195	A	66.9	Low	75	Confident	108 Å²	108	43.3 Å²	43.3	89%	0.893	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.1	176.6	0	0	0	0	0	114.4	N193	N193-A195 PolarHBondContact O-N 3.48Å
196	S	68.5	Low	74.3	Confident	28 Å²	28	43.1 Å²	43.1	20%	0.196	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	8	-177.5	52.5	0	0	0	0	114.5	V169 A172 S173 C194	V169-S196 WeakPolarHBondContact O-CB 3.36Å; V169-S196 PolarHBondContact O-OG 3.05Å; A172-S196 WeakPolarHBondContact CA-O 3.33Å; S173-S196 PolarHBondContact N-O 3.33Å; S173-S196 VanDerWaalsContact N-O 3.1Å; C194-S196 PolarHBondContact O-N 3.26Å
197	I	67.2	Low	73.4	Confident	22 Å²	22	38.5 Å²	38.5	11%	0.113	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125	179.6	-54.5	171.2	0	0	0	108.4	I175 I191 C194 K200	I175-I197 HydrophobicContact CD1-CB 4.33Å; I175-I197 HydrophobicContact CD1-CD1 3.51Å; I175-I197 HydrophobicContact CD1-CG1 3.58Å; I175-I197 HydrophobicContact CD1-CG2 3.82Å; I175-I197 HydrophobicContact CG1-CG2 4.11Å; I191-I197 HydrophobicContact CB-CD1 3.98Å; I191-I197 HydrophobicContact CD1-CD1 3.81Å; I191-I197 HydrophobicContact CG1-CD1 4.04Å; C194-I197 HydrophobicContact CB-CD1 3.54Å; C194-I197 HydrophobicContact CB-CG1 3.88Å; I197-K200 HydrophobicContact CG2-CG 3.72Å
198	L	70.2	Confident	72.5	Confident	108 Å²	108	41.8 Å²	41.8	57%	0.565	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86	-68.5	179	-77.1	168.2	0	0	0	110.5	A172 S173 N174	A172-L198 HydrophobicContact CB-CD1 3.73Å; A172-L198 HydrophobicContact CB-CD2 4.38Å; A172-L198 HydrophobicContact CB-CG 3.86Å; S173-L198 PolarHBondContact O-N 3.38Å; N174-L198 WeakPolarHBondContact OD1-CB 3.32Å
199	E	78.7	Confident	71.4	Confident	80 Å²	80	43.6 Å²	43.6	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.6	-180	-61.4	179.1	162.7	0	0	111.4	N174 I175 F201 D218	N174-E199 WeakPolarHBondContact CA-O 3.38Å; N174-E199 WeakPolarHBondContact OD1-CA 3.45Å; N174-E199 VanDerWaalsContact OD1-CB 3.31Å; N174-E199 WeakPolarHBondContact OD1-CB 3.42Å; N174-E199 PolarHBondContact OD1-N 3.4Å; I175-E199 PolarHBondContact N-O 3.1Å; E199-F201 HydrophobicContact CB-CD2 4.27Å; E199-F201 HydrophobicContact CB-CE2 3.6Å; E199-F201 HydrophobicContact CB-CZ 4.21Å; E199-F201 WeakPolarHBondContact OE2-CE2 3.33Å; E199-F201 WeakPolarHBondContact OE2-CZ 3.33Å; E199-D218 WeakPolarHBondContact CA-OD2 3.23Å
200	K	80.9	Confident	70.3	Confident	36 Å²	36	43.2 Å²	43.2	16%	0.157	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	100.3	-178	-61.6	160	-173.2	169.3	0	109.2	L188 I197 Y216 D218 V219	L188-K200 HydrophobicContact CD2-CB 4.34Å; L188-K200 HydrophobicContact CD2-CD 4Å; L188-K200 HydrophobicContact CD2-CG 4.4Å; I197-K200 HydrophobicContact CG2-CG 3.72Å; K200-Y216 WeakPolarHBondContact CD-O 3.15Å; K200-D218 PolarHBondContact N-OD2 3.46Å; K200-D218 PolarHBondContact O-N 3.09Å; K200-V219 PolarHBondContact O-N 3.03Å
201	F	81	Confident	69.3	Low	4 Å²	4	43.4 Å²	43.4	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.2	173.7	-60.9	-97.5	0	0	0	109.1	V114 L115 M120 N174 I175 V176 I177 E199 F203 V219	V114-F201 HydrophobicContact CG1-CE1 4.05Å; L115-F201 HydrophobicContact CD2-CG 4.47Å; M120-F201 HydrophobicContact CE-CD2 4.22Å; M120-F201 HydrophobicContact CE-CE2 3.53Å; M120-F201 HydrophobicContact CE-CZ 3.84Å; M120-F201 HydrophobicContact SD-CE2 3.68Å; M120-F201 HydrophobicContact SD-CZ 4.07Å; N174-F201 HydrophobicContact CB-CE2 4.36Å; I175-F201 PolarHBondContact O-N 2.62Å; V176-F201 CarbonylContact C-O 3.54Å; V176-F201 WeakPolarHBondContact CA-O 3.12Å; V176-F201 HydrophobicContact CG2-CB 4.15Å; I177-F201 PolarHBondContact N-O 3.28Å; E199-F201 HydrophobicContact CB-CD2 4.27Å; E199-F201 HydrophobicContact CB-CE2 3.6Å; E199-F201 HydrophobicContact CB-CZ 4.21Å; E199-F201 WeakPolarHBondContact OE2-CE2 3.33Å; E199-F201 WeakPolarHBondContact OE2-CZ 3.33Å; F201-F203 HydrophobicContact CB-CE2 3.81Å; F201-F203 HydrophobicContact CB-CZ 4.49Å; F201-V219 CarbonylContact C-O 3.59Å; F201-V219 WeakPolarHBondContact CA-O 3.37Å; F201-V219 HydrophobicContact CD1-CB 3.53Å; F201-V219 HydrophobicContact CD1-CG1 3.95Å; F201-V219 HydrophobicContact CD1-CG2 3.74Å; F201-V219 HydrophobicContact CE1-CB 3.93Å; F201-V219 HydrophobicContact CE1-CG1 4.4Å; F201-V219 HydrophobicContact CE1-CG2 3.58Å; F201-V219 HydrophobicContact CG-CB 4.33Å; F201-V219 HydrophobicContact CZ-CG2 4.43Å
202	V	80.7	Confident	68.6	Low	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125	-176.8	-173.3	0	0	0	0	110.4	I177 A184 L188 L213 A217 V219 L220 W221	I177-V202 HydrophobicContact CB-CG1 4.46Å; I177-V202 HydrophobicContact CB-CG2 4.42Å; I177-V202 HydrophobicContact CD1-CG2 4.23Å; A184-V202 HydrophobicContact CB-CG1 3.94Å; L188-V202 HydrophobicContact CD1-CG2 3.79Å; L188-V202 HydrophobicContact CD2-CG2 4.44Å; V202-L213 HydrophobicContact CB-CD2 4.28Å; V202-L213 HydrophobicContact CG1-CD2 3.58Å; V202-A217 HydrophobicContact CB-CB 4.08Å; V202-A217 HydrophobicContact CG2-CB 3.5Å; V202-A217 VanDerWaalsContact CG2-CB 3.5Å; V202-V219 PolarHBondContact N-O 3.35Å; V202-L220 HydrophobicContact CB-CD1 3.99Å; V202-L220 HydrophobicContact CG1-CD1 4.09Å; V202-W221 PolarHBondContact O-N 3.45Å
203	F	76.3	Confident	68.2	Low	13 Å²	13	44.8 Å²	44.8	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	102.9	178.3	-65	-86.3	0	0	0	108.3	L111 V176 I177 M178 T179 F201 W221	L111-F203 HydrophobicContact CD1-CE1 3.47Å; L111-F203 VanDerWaalsContact CD1-CE1 3.47Å; L111-F203 HydrophobicContact CD1-CE2 3.88Å; L111-F203 HydrophobicContact CD1-CZ 3.04Å; L111-F203 HydrophobicContact CD2-CD1 4.32Å; L111-F203 HydrophobicContact CD2-CE1 3.83Å; L111-F203 HydrophobicContact CD2-CZ 4.01Å; L111-F203 HydrophobicContact CG-CE1 4.21Å; L111-F203 HydrophobicContact CG-CZ 4.13Å; V176-F203 HydrophobicContact CG1-CD2 3.71Å; V176-F203 HydrophobicContact CG1-CE2 3.74Å; I177-F203 PolarHBondContact O-N 2.73Å; M178-F203 WeakPolarHBondContact CA-O 3.38Å; M178-F203 HydrophobicContact CB-CB 4.47Å; M178-F203 HydrophobicContact CG-CB 4.19Å; M178-F203 HydrophobicContact CG-CD2 4.29Å; T179-F203 PolarHBondContact N-O 3.23Å; T179-F203 VanDerWaalsContact N-O 3.15Å; F201-F203 HydrophobicContact CB-CE2 3.81Å; F201-F203 HydrophobicContact CB-CZ 4.49Å; F203-W221 WeakPolarHBondContact CA-O 3.29Å; F203-W221 HydrophobicContact CD1-CB 3.4Å; F203-W221 VanDerWaalsContact CD1-CB 3.4Å; F203-W221 AromaticContact CD1-CD2 3.97Å; F203-W221 HydrophobicContact CD1-CD2 3.97Å; F203-W221 AromaticContact CD1-CE3 3.47Å; F203-W221 HydrophobicContact CD1-CE3 3.47Å; F203-W221 VanDerWaalsContact CD1-CE3 3.47Å; F203-W221 HydrophobicContact CD1-CG 4.02Å; F203-W221 HydrophobicContact CD1-CZ3 4.34Å; F203-W221 HydrophobicContact CE1-CB 3.4Å; F203-W221 VanDerWaalsContact CE1-CB 3.4Å; F203-W221 AromaticContact CE1-CD2 3.51Å; F203-W221 HydrophobicContact CE1-CD2 3.51Å; F203-W221 AromaticContact CE1-CE3 3.27Å; F203-W221 HydrophobicContact CE1-CE3 3.27Å; F203-W221 AromaticContact CE1-CG 3.64Å; F203-W221 HydrophobicContact CE1-CG 3.64Å; F203-W221 AromaticContact CE1-CZ3 3.99Å; F203-W221 HydrophobicContact CE1-CZ3 3.99Å; F203-W221 HydrophobicContact CG-CB 4.29Å; F203-W221 HydrophobicContact CZ-CB 4.28Å
204	T	75.7	Confident	67.7	Low	3 Å²	3	38.4 Å²	38.4	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	154.3	179.3	179.3	0	0	0	0	112	T179 T181 D206 L220 W221 I222 R223	T179-T204 VanDerWaalsContact O-CA 3.23Å; T179-T204 WeakPolarHBondContact O-CA 3.28Å; T181-T204 WeakPolarHBondContact CA-OG1 3.19Å; T181-T204 PolarHBondContact N-OG1 3.34Å; T181-T204 PolarHBondContact OG1-OG1 3.23Å; T204-D206 WeakPolarHBondContact CG2-O 3.26Å; T204-D206 PolarHBondContact OG1-N 2.8Å; T204-D206 PolarHBondContact OG1-O 3.09Å; T204-D206 PolarHBondContact OG1-OD1 3.01Å; T204-L220 HydrophobicContact CG2-CD1 4Å; T204-W221 PolarHBondContact N-O 2.89Å; T204-I222 HydrophobicContact CG2-CB 4.49Å; T204-I222 HydrophobicContact CG2-CG1 3.98Å; T204-I222 CarbonylContact O-C 3.49Å; T204-I222 WeakPolarHBondContact O-CA 3.41Å; T204-R223 WeakPolarHBondContact O-CB 3.48Å; T204-R223 PolarHBondContact O-N 2.87Å
205	K	67.7	Low	67.5	Low	45 Å²	45	42.8 Å²	42.8	20%	0.196	26%	0.257	C	S	.	.	S	Bend	trans	-93.8	-15.8	177.7	66.3	-176.8	179.7	-170.4	0	113.7	E130 Y131 R223	E130-K205 IonicContact OE1-NZ 3.57Å; E130-K205 IonicContact OE2-NZ 3.46Å; E130-K205 PolarHBondContact OE2-NZ 3.41Å; Y131-K205 WeakPolarHBondContact OH-CB 3.44Å; Y131-K205 PolarHBondContact OH-N 2.9Å; K205-R223 HydrophobicContact CB-CB 4.37Å; K205-R223 VanDerWaalsContact O-O 3.08Å
206	D	62.8	Low	67.7	Low	24 Å²	24	41.1 Å²	41.1	13%	0.128	23%	0.228	C	C	.	.			trans	-140.3	169.5	-167.4	36.3	10.3	0	0	0	110.6	N180 T181 T204 T208 F226	N180-D206 WeakPolarHBondContact CA-OD1 3.41Å; N180-D206 WeakPolarHBondContact CB-OD1 3.34Å; T181-D206 PolarHBondContact N-OD1 3.49Å; T181-D206 PolarHBondContact OG1-O 3.43Å; T181-D206 PolarHBondContact OG1-OD1 2.9Å; T204-D206 WeakPolarHBondContact CG2-O 3.26Å; T204-D206 PolarHBondContact OG1-N 2.8Å; T204-D206 PolarHBondContact OG1-O 3.09Å; T204-D206 PolarHBondContact OG1-OD1 3.01Å; D206-T208 HydrophobicContact CB-CG2 4.42Å; D206-F226 HydrophobicContact CB-CB 4.16Å
207	C	60.7	Low	67.9	Low	10 Å²	10	40.1 Å²	40.1	7%	0.068	22%	0.221	C	C	.	.			trans	-141.6	60.9	-177.7	-159.7	0	0	0	0	108.1	T181 I222 C232	T181-C207 PolarHBondContact OG1-N 3.28Å; C207-I222 HydrophobicContact CB-CD1 4.48Å; C207-C232 HydrophobicContact CB-CB 3.65Å; C207-C232 WeakPolarHBondContact CB-SG 3.33Å; C207-C232 WeakPolarHBondContact SG-CB 3.44Å; C207-C232 CovalentContact SG-SG 2.02Å; C207-C232 PolarHBondContact SG-SG 3.25Å
208	T	61.7	Low	68.3	Low	74 Å²	74	42.6 Å²	42.6	45%	0.454	24%	0.235	S	C	.	.	S	Bend	trans	-80.6	-34.2	-176.1	51.5	0	0	0	0	112.3	D206	D206-T208 HydrophobicContact CB-CG2 4.42Å
209	S	54.9	Low	68.3	Low	38 Å²	38	39.6 Å²	39.6	27%	0.266	22%	0.221	S	C	.	.			trans	-135.2	110.2	168.3	48.5	0	0	0	0	108.3	T181 E185	T181-S209 WeakPolarHBondContact CG2-O 3.42Å; E185-S209 WeakPolarHBondContact OE2-CB 3.35Å; E185-S209 PolarHBondContact OE2-OG 2.77Å
210	S	53.7	Low	67.9	Low	19 Å²	19	36.4 Å²	36.4	13%	0.133	21%	0.206	C	C	.	.			trans	-98.7	-17.8	-177	52.3	0	0	0	0	113.3	N212 T214 A235	S210-N212 VanDerWaalsContact C-N 3.32Å; S210-N212 PolarHBondContact O-N 2.87Å; S210-T214 WeakPolarHBondContact O-CG2 3.24Å; S210-T214 PolarHBondContact O-N 2.85Å; S210-T214 PolarHBondContact O-OG1 2.81Å; S210-A235 WeakPolarHBondContact OG-CB 3.17Å
211	S	56.1	Low	67.2	Low	77 Å²	77	37 Å²	37	54%	0.538	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.5	-168.9	62.5	0	0	0	0	112.9	T214 T215	S211-T214 PolarHBondContact O-OG1 3.11Å; S211-T214 VanDerWaalsContact O-OG1 3.13Å; S211-T215 PolarHBondContact O-OG1 3.34Å
212	N	62.2	Low	66.5	Low	82 Å²	82	38 Å²	38	44%	0.439	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-37.8	-176	-67.2	-7.9	0	0	0	111.9	E185 S210 T214 T215 Y216	E185-N212 HydrophobicContact CG-CB 3.94Å; E185-N212 WeakPolarHBondContact OE1-CB 3.36Å; E185-N212 PolarHBondContact OE1-N 3.04Å; S210-N212 VanDerWaalsContact C-N 3.32Å; S210-N212 PolarHBondContact O-N 2.87Å; N212-T214 VanDerWaalsContact C-N 3.26Å; N212-T214 PolarHBondContact O-N 3.2Å; N212-T215 WeakPolarHBondContact O-CA 3.48Å; N212-T215 VanDerWaalsContact O-CB 3.23Å; N212-T215 WeakPolarHBondContact O-CB 3.25Å; N212-T215 PolarHBondContact O-N 3.17Å; N212-T215 PolarHBondContact O-OG1 3.3Å; N212-Y216 HydrophobicContact CB-CE2 4.13Å; N212-Y216 WeakPolarHBondContact O-CD2 3.39Å; N212-Y216 PolarHBondContact O-N 3.07Å
213	L	62.7	Low	65.3	Low	4 Å²	4	41.7 Å²	41.7	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-55.1	-41.6	176.9	-116.5	135.7	0	0	0	113.2	T181 A184 E185 L188 V202 T215 Y216 A217 L220	T181-L213 HydrophobicContact CG2-CD1 3.24Å; T181-L213 WeakPolarHBondContact O-CD1 3.41Å; A184-L213 HydrophobicContact CB-CD1 4.45Å; A184-L213 HydrophobicContact CB-CD2 4.37Å; E185-L213 HydrophobicContact CB-CD1 4.14Å; E185-L213 HydrophobicContact CG-CB 4.08Å; E185-L213 HydrophobicContact CG-CD1 3.63Å; E185-L213 HydrophobicContact CG-CG 3.78Å; E185-L213 PolarHBondContact OE1-N 3.13Å; L188-L213 HydrophobicContact CD1-CD2 4.28Å; L188-L213 HydrophobicContact CD1-CG 4.41Å; V202-L213 HydrophobicContact CB-CD2 4.28Å; V202-L213 HydrophobicContact CG1-CD2 3.58Å; L213-T215 PolarHBondContact O-N 3.33Å; L213-Y216 PolarHBondContact O-N 3.04Å; L213-Y216 VanDerWaalsContact O-N 3.12Å; L213-A217 WeakPolarHBondContact O-CB 3.39Å; L213-A217 PolarHBondContact O-N 3.27Å; L213-L220 HydrophobicContact CD2-CD1 3.62Å
214	T	61.1	Low	64.1	Low	20 Å²	20	42.3 Å²	42.3	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-21.2	176.3	49.5	0	0	0	0	113.3	S210 S211 N212 L220 W239	S210-T214 WeakPolarHBondContact O-CG2 3.24Å; S210-T214 PolarHBondContact O-N 2.85Å; S210-T214 PolarHBondContact O-OG1 2.81Å; S211-T214 PolarHBondContact O-OG1 3.11Å; S211-T214 VanDerWaalsContact O-OG1 3.13Å; N212-T214 VanDerWaalsContact C-N 3.26Å; N212-T214 PolarHBondContact O-N 3.2Å; T214-L220 HydrophobicContact CG2-CD2 4.4Å; T214-W239 HydrophobicContact CG2-CB 4.04Å; T214-W239 HydrophobicContact CG2-CD2 4.5Å; T214-W239 HydrophobicContact CG2-CG 3.94Å; T214-W239 PolarHBondContact O-NE1 2.94Å
215	T	67.2	Low	62.8	Low	103 Å²	103	44.7 Å²	44.7	63%	0.632	24%	0.243	S	C	*	.	H	α-helix	trans	-82.6	-24.1	176.8	-46	0	0	0	0	111.9	S211 N212 L213	S211-T215 PolarHBondContact O-OG1 3.34Å; N212-T215 WeakPolarHBondContact O-CA 3.48Å; N212-T215 VanDerWaalsContact O-CB 3.23Å; N212-T215 WeakPolarHBondContact O-CB 3.25Å; N212-T215 PolarHBondContact O-N 3.17Å; N212-T215 PolarHBondContact O-OG1 3.3Å; L213-T215 PolarHBondContact O-N 3.33Å
216	Y	72.2	Confident	61.7	Low	73 Å²	73	47.2 Å²	47.2	29%	0.286	25%	0.254	S	S	.	.	H	α-helix	trans	-110.6	-26.1	-171	-60.2	-55.4	0	0	0	115.3	L188 T192 K200 N212 L213	L188-Y216 HydrophobicContact CB-CD2 4.09Å; L188-Y216 HydrophobicContact CB-CG 4.11Å; T192-Y216 HydrophobicContact CG2-CD1 3.56Å; T192-Y216 HydrophobicContact CG2-CE1 3.21Å; K200-Y216 WeakPolarHBondContact CD-O 3.15Å; N212-Y216 HydrophobicContact CB-CE2 4.13Å; N212-Y216 WeakPolarHBondContact O-CD2 3.39Å; N212-Y216 PolarHBondContact O-N 3.07Å; L213-Y216 PolarHBondContact O-N 3.04Å; L213-Y216 VanDerWaalsContact O-N 3.12Å
217	A	72.8	Confident	60.8	Low	8 Å²	8	48 Å²	48	7%	0.066	26%	0.26	C	S	.	.			trans	-90.7	136.1	-176.2	0	0	0	0	0	112.1	V202 L213 L220	V202-A217 HydrophobicContact CB-CB 4.08Å; V202-A217 HydrophobicContact CG2-CB 3.5Å; V202-A217 VanDerWaalsContact CG2-CB 3.5Å; L213-A217 WeakPolarHBondContact O-CB 3.39Å; L213-A217 PolarHBondContact O-N 3.27Å; A217-L220 HydrophobicContact CB-CB 4.43Å
218	D	75	Confident	60	Low	73 Å²	73	55.6 Å²	55.6	39%	0.39	29%	0.292	S	S	.	.	S	Bend	trans	-83.8	-38.3	174.7	-61.2	-62.9	0	0	0	111.2	E199 K200	E199-D218 WeakPolarHBondContact CA-OD2 3.23Å; K200-D218 PolarHBondContact N-OD2 3.46Å; K200-D218 PolarHBondContact O-N 3.09Å
219	V	70.9	Confident	59.6	Low	45 Å²	45	55.2 Å²	55.2	27%	0.273	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.8	172.9	179.3	0	0	0	0	108.2	K200 F201 V202	K200-V219 PolarHBondContact O-N 3.03Å; F201-V219 CarbonylContact C-O 3.59Å; F201-V219 WeakPolarHBondContact CA-O 3.37Å; F201-V219 HydrophobicContact CD1-CB 3.53Å; F201-V219 HydrophobicContact CD1-CG1 3.95Å; F201-V219 HydrophobicContact CD1-CG2 3.74Å; F201-V219 HydrophobicContact CE1-CB 3.93Å; F201-V219 HydrophobicContact CE1-CG1 4.4Å; F201-V219 HydrophobicContact CE1-CG2 3.58Å; F201-V219 HydrophobicContact CG-CB 4.33Å; F201-V219 HydrophobicContact CZ-CG2 4.43Å; V202-V219 PolarHBondContact N-O 3.35Å
220	L	69.4	Low	59.5	Low	13 Å²	13	57.9 Å²	57.9	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.2	177.9	-178.9	62.2	0	0	0	110.2	V202 T204 L213 T214 A217 I222	V202-L220 HydrophobicContact CB-CD1 3.99Å; V202-L220 HydrophobicContact CG1-CD1 4.09Å; T204-L220 HydrophobicContact CG2-CD1 4Å; L213-L220 HydrophobicContact CD2-CD1 3.62Å; T214-L220 HydrophobicContact CG2-CD2 4.4Å; A217-L220 HydrophobicContact CB-CB 4.43Å; L220-I222 HydrophobicContact CD1-CG1 4.4Å; L220-I222 HydrophobicContact CD2-CD1 4.14Å; L220-I222 HydrophobicContact CD2-CG1 4.28Å; L220-I222 HydrophobicContact CG-CD1 4.44Å; L220-I222 HydrophobicContact CG-CG1 4.04Å
221	W	67.3	Low	59.7	Low	48 Å²	48	61.3 Å²	61.3	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.9	171.3	-119.8	39.9	0	0	0	110	M107 L111 V202 F203 T204	M107-W221 HydrophobicContact CB-CH2 3.76Å; M107-W221 HydrophobicContact CB-CZ2 4.46Å; M107-W221 HydrophobicContact CB-CZ3 4.39Å; M107-W221 HydrophobicContact CE-CD2 4.47Å; M107-W221 HydrophobicContact CE-CE3 4.33Å; M107-W221 HydrophobicContact CE-CH2 3.69Å; M107-W221 HydrophobicContact CE-CZ2 3.7Å; M107-W221 HydrophobicContact CE-CZ3 4Å; M107-W221 WeakPolarHBondContact O-CH2 3.14Å; L111-W221 HydrophobicContact CB-CH2 3.94Å; L111-W221 HydrophobicContact CB-CZ3 4.08Å; L111-W221 HydrophobicContact CD2-CZ3 4.48Å; V202-W221 PolarHBondContact O-N 3.45Å; F203-W221 WeakPolarHBondContact CA-O 3.29Å; F203-W221 HydrophobicContact CD1-CB 3.4Å; F203-W221 VanDerWaalsContact CD1-CB 3.4Å; F203-W221 AromaticContact CD1-CD2 3.97Å; F203-W221 HydrophobicContact CD1-CD2 3.97Å; F203-W221 AromaticContact CD1-CE3 3.47Å; F203-W221 HydrophobicContact CD1-CE3 3.47Å; F203-W221 VanDerWaalsContact CD1-CE3 3.47Å; F203-W221 HydrophobicContact CD1-CG 4.02Å; F203-W221 HydrophobicContact CD1-CZ3 4.34Å; F203-W221 HydrophobicContact CE1-CB 3.4Å; F203-W221 VanDerWaalsContact CE1-CB 3.4Å; F203-W221 AromaticContact CE1-CD2 3.51Å; F203-W221 HydrophobicContact CE1-CD2 3.51Å; F203-W221 AromaticContact CE1-CE3 3.27Å; F203-W221 HydrophobicContact CE1-CE3 3.27Å; F203-W221 AromaticContact CE1-CG 3.64Å; F203-W221 HydrophobicContact CE1-CG 3.64Å; F203-W221 AromaticContact CE1-CZ3 3.99Å; F203-W221 HydrophobicContact CE1-CZ3 3.99Å; F203-W221 HydrophobicContact CG-CB 4.29Å; F203-W221 HydrophobicContact CZ-CB 4.28Å; T204-W221 PolarHBondContact N-O 2.89Å
222	I	64.9	Low	59.6	Low	27 Å²	27	57.9 Å²	57.9	14%	0.138	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.2	177.7	-52.5	179.2	0	0	0	107.9	T204 C207 L220 V227 V236	T204-I222 HydrophobicContact CG2-CB 4.49Å; T204-I222 HydrophobicContact CG2-CG1 3.98Å; T204-I222 CarbonylContact O-C 3.49Å; T204-I222 WeakPolarHBondContact O-CA 3.41Å; C207-I222 HydrophobicContact CB-CD1 4.48Å; L220-I222 HydrophobicContact CD1-CG1 4.4Å; L220-I222 HydrophobicContact CD2-CD1 4.14Å; L220-I222 HydrophobicContact CD2-CG1 4.28Å; L220-I222 HydrophobicContact CG-CD1 4.44Å; L220-I222 HydrophobicContact CG-CG1 4.04Å; I222-V227 HydrophobicContact CG2-CG2 4.15Å; I222-V236 HydrophobicContact CD1-CG2 4.25Å
223	R	56.5	Low	59.3	Low	76 Å²	76	57.5 Å²	57.5	29%	0.287	30%	0.296	S	S	.	.			trans	-68.3	130.3	174.5	-126.2	-177.6	-178.6	-149.8	-4.6	108	E3 T204 K205 H225	E3-R223 IonicContact OE1-CZ 3Å; E3-R223 IonicContact OE1-NH1 3.42Å; E3-R223 PolarHBondContact OE1-NH1 2.84Å; E3-R223 IonicContact OE1-NH2 2.68Å; T204-R223 WeakPolarHBondContact O-CB 3.48Å; T204-R223 PolarHBondContact O-N 2.87Å; K205-R223 HydrophobicContact CB-CB 4.37Å; K205-R223 VanDerWaalsContact O-O 3.08Å; R223-H225 VanDerWaalsContact C-N 3.26Å; R223-H225 PolarHBondContact O-N 3.48Å
224	P	52	Low	59.1	Low	27 Å²	27	62.2 Å²	62.2	18%	0.175	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-60.4	-21.2	-165.6	-29.1	35.1	0	0	0	117.6	F226 I252	P224-F226 PolarHBondContact O-N 3.13Å; P224-I252 WeakPolarHBondContact CA-O 3.35Å; P224-I252 HydrophobicContact CB-CG2 4.48Å; P224-I252 WeakPolarHBondContact CB-O 3.33Å; P224-I252 HydrophobicContact CG-CB 3.83Å; P224-I252 HydrophobicContact CG-CG2 3.71Å; P224-I252 VanDerWaalsContact CG-O 3.24Å; P224-I252 WeakPolarHBondContact CG-O 3.41Å
225	H	47.4	Very low	58.8	Low	52 Å²	52	62.2 Å²	62.2	24%	0.241	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.4	-13	-159.8	-86.2	-35	0	0	0	115.1	R223 E257	R223-H225 VanDerWaalsContact C-N 3.26Å; R223-H225 PolarHBondContact O-N 3.48Å; H225-E257 VanDerWaalsContact CE1-CD 3.44Å; H225-E257 IonicContact CE1-OE1 3.83Å; H225-E257 PolarHBondContact CE1-OE1 3.25Å; H225-E257 VanDerWaalsContact CE1-OE1 3.31Å; H225-E257 IonicContact CE1-OE2 2.61Å; H225-E257 PolarHBondContact CE1-OE2 2.83Å; H225-E257 IonicContact ND1-OE2 2.83Å; H225-E257 PolarHBondContact ND1-OE2 2.98Å; H225-E257 VanDerWaalsContact ND1-OE2 3.12Å
226	F	43.6	Very low	58.2	Low	99 Å²	99	57.5 Å²	57.5	43%	0.434	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-137.2	18.7	-171.5	-65.8	-81.6	0	0	0	117.2	D206 P224 K228	D206-F226 HydrophobicContact CB-CB 4.16Å; P224-F226 PolarHBondContact O-N 3.13Å; F226-K228 VanDerWaalsContact C-N 3.27Å; F226-K228 PolarHBondContact O-N 2.9Å
227	V	44.1	Very low	57.4	Low	41 Å²	41	58 Å²	58	25%	0.248	30%	0.301	C	S	.	.			trans	-75.6	82.4	170.7	-167.1	0	0	0	0	109.3	I222 C232 I233	I222-V227 HydrophobicContact CG2-CG2 4.15Å; V227-C232 HydrophobicContact CG1-CB 4.39Å; V227-I233 HydrophobicContact CG1-CD1 4.47Å; V227-I233 HydrophobicContact CG1-CG1 4.11Å
228	K	45	Very low	56.5	Low	168 Å²	168	60.9 Å²	60.9	73%	0.73	32%	0.321	S	S	*	.			trans	-97	-1.9	173.6	-84.1	-169.2	175	-172.7	0	113	F226	F226-K228 VanDerWaalsContact C-N 3.27Å; F226-K228 PolarHBondContact O-N 2.9Å
229	I	52.1	Low	55.2	Low	66 Å²	66	59.1 Å²	59.1	34%	0.338	31%	0.309	S	S	.	.			trans	-118.6	109.4	-163.1	-44	178.9	0	0	0	109	T231 C232	I229-T231 HydrophobicContact CG2-CG2 4.44Å; I229-T231 WeakPolarHBondContact CG2-OG1 3.25Å; I229-T231 PolarHBondContact O-N 3.39Å; I229-C232 VanDerWaalsContact O-CB 3.3Å; I229-C232 WeakPolarHBondContact O-CB 3.28Å; I229-C232 PolarHBondContact O-N 3.24Å
230	P	54.2	Low	54.2	Low	94 Å²	94	59.8 Å²	59.8	61%	0.61	31%	0.313	S	S	*	.	H	α-helix	trans	-51.2	-36.2	175.9	-28	34.7	0	0	0	113.1	C232 I233 D234	P230-C232 PolarHBondContact O-N 2.99Å; P230-I233 WeakPolarHBondContact O-CB 3.09Å; P230-I233 PolarHBondContact O-N 3.47Å; P230-D234 PolarHBondContact O-N 3.34Å
231	T	56.8	Low	53.5	Low	92 Å²	92	64.8 Å²	64.8	56%	0.564	34%	0.344	S	S	*	.	H	α-helix	trans	-61.9	-27	177.5	65.4	0	0	0	0	113.6	I229 A235	I229-T231 HydrophobicContact CG2-CG2 4.44Å; I229-T231 WeakPolarHBondContact CG2-OG1 3.25Å; I229-T231 PolarHBondContact O-N 3.39Å; T231-A235 VanDerWaalsContact O-CB 3.32Å; T231-A235 WeakPolarHBondContact O-CB 3.42Å; T231-A235 PolarHBondContact O-N 2.87Å
232	C	54.4	Low	52.8	Low	4 Å²	4	66.6 Å²	66.6	3%	0.027	37%	0.369	C	S	.	.	H	α-helix	trans	-66.6	-44.5	172.5	169.3	0	0	0	0	110.7	C207 V227 I229 P230 D234 A235 V236	C207-C232 HydrophobicContact CB-CB 3.65Å; C207-C232 WeakPolarHBondContact CB-SG 3.33Å; C207-C232 WeakPolarHBondContact SG-CB 3.44Å; C207-C232 CovalentContact SG-SG 2.02Å; C207-C232 PolarHBondContact SG-SG 3.25Å; V227-C232 HydrophobicContact CG1-CB 4.39Å; I229-C232 VanDerWaalsContact O-CB 3.3Å; I229-C232 WeakPolarHBondContact O-CB 3.28Å; I229-C232 PolarHBondContact O-N 3.24Å; P230-C232 PolarHBondContact O-N 2.99Å; C232-D234 VanDerWaalsContact C-N 3.34Å; C232-A235 PolarHBondContact O-N 3.18Å; C232-V236 WeakPolarHBondContact O-CB 3.47Å; C232-V236 WeakPolarHBondContact O-CG2 3.47Å; C232-V236 PolarHBondContact O-N 3.1Å
233	I	56.1	Low	51.9	Low	74 Å²	74	66.4 Å²	66.4	38%	0.379	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-46.4	178.2	-63.6	175.4	0	0	0	109.2	V227 P230 A235 V236 I237	V227-I233 HydrophobicContact CG1-CD1 4.47Å; V227-I233 HydrophobicContact CG1-CG1 4.11Å; P230-I233 WeakPolarHBondContact O-CB 3.09Å; P230-I233 PolarHBondContact O-N 3.47Å; I233-A235 PolarHBondContact O-N 3.35Å; I233-V236 PolarHBondContact O-N 3.45Å; I233-I237 HydrophobicContact CG2-CD1 3.61Å; I233-I237 HydrophobicContact CG2-CG1 4.26Å; I233-I237 WeakPolarHBondContact O-CB 3.23Å; I233-I237 VanDerWaalsContact O-CG1 3.24Å; I233-I237 WeakPolarHBondContact O-CG1 3.25Å; I233-I237 PolarHBondContact O-N 3.14Å
234	D	58.9	Low	51.2	Low	103 Å²	103	74.8 Å²	74.8	55%	0.551	41%	0.405	S	S	*	.	H	α-helix	trans	-62.2	-42.4	178.4	-68.7	-29.6	0	0	0	112.7	P230 C232 I237 S238	P230-D234 PolarHBondContact O-N 3.34Å; C232-D234 VanDerWaalsContact C-N 3.34Å; D234-I237 PolarHBondContact O-N 2.93Å; D234-S238 WeakPolarHBondContact O-CB 3.23Å; D234-S238 PolarHBondContact O-N 2.94Å
235	A	55.3	Low	50.6	Low	21 Å²	21	77.3 Å²	77.3	17%	0.174	42%	0.417	C	S	.	.	H	α-helix	trans	-65.2	-41.9	177.6	0	0	0	0	0	111.7	S210 T231 C232 I233 S238 W239	S210-A235 WeakPolarHBondContact OG-CB 3.17Å; T231-A235 VanDerWaalsContact O-CB 3.32Å; T231-A235 WeakPolarHBondContact O-CB 3.42Å; T231-A235 PolarHBondContact O-N 2.87Å; C232-A235 PolarHBondContact O-N 3.18Å; I233-A235 PolarHBondContact O-N 3.35Å; A235-S238 PolarHBondContact O-N 3.17Å; A235-S238 PolarHBondContact O-OG 2.93Å; A235-W239 WeakPolarHBondContact O-CB 3.46Å; A235-W239 PolarHBondContact O-N 2.8Å
236	V	53.2	Low	50.4	Low	3 Å²	3	83.9 Å²	83.9	2%	0.018	45%	0.448	C	S	.	.	H	α-helix	trans	-66.2	-39.9	177.1	170.9	0	0	0	0	111.1	I222 C232 I233 W239 T240 L249 I251	I222-V236 HydrophobicContact CD1-CG2 4.25Å; C232-V236 WeakPolarHBondContact O-CB 3.47Å; C232-V236 WeakPolarHBondContact O-CG2 3.47Å; C232-V236 PolarHBondContact O-N 3.1Å; I233-V236 PolarHBondContact O-N 3.45Å; V236-W239 WeakPolarHBondContact O-CB 3.39Å; V236-W239 PolarHBondContact O-N 2.82Å; V236-T240 PolarHBondContact O-N 2.93Å; V236-T240 PolarHBondContact O-OG1 3.28Å; V236-L249 HydrophobicContact CG1-CD1 3.64Å; V236-L249 HydrophobicContact CG1-CD2 3.17Å; V236-L249 HydrophobicContact CG1-CG 4.01Å; V236-I251 HydrophobicContact CG1-CD1 3.9Å; V236-I251 HydrophobicContact CG1-CG1 4.35Å
237	I	56.2	Low	50.2	Low	83 Å²	83	85.1 Å²	85.1	43%	0.426	46%	0.459	S	S	.	.	H	α-helix	trans	-64.7	-44.1	172	-69.4	170.1	0	0	0	110.6	I233 D234 W239 T240 V241	I233-I237 HydrophobicContact CG2-CD1 3.61Å; I233-I237 HydrophobicContact CG2-CG1 4.26Å; I233-I237 WeakPolarHBondContact O-CB 3.23Å; I233-I237 VanDerWaalsContact O-CG1 3.24Å; I233-I237 WeakPolarHBondContact O-CG1 3.25Å; I233-I237 PolarHBondContact O-N 3.14Å; D234-I237 PolarHBondContact O-N 2.93Å; I237-W239 PolarHBondContact O-N 2.7Å; I237-T240 WeakPolarHBondContact CA-OG1 3.45Å; I237-T240 PolarHBondContact O-N 3.42Å; I237-T240 PolarHBondContact O-OG1 3.18Å; I237-V241 HydrophobicContact CG2-CG2 4.38Å; I237-V241 VanDerWaalsContact O-CG2 3.25Å; I237-V241 WeakPolarHBondContact O-CG2 3.34Å; I237-V241 PolarHBondContact O-N 3.37Å
238	S	54.1	Low	50.1	Low	70 Å²	70	85.7 Å²	85.7	49%	0.49	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-34.2	177.2	88.8	0	0	0	0	111.3	D234 A235 V241 A242	D234-S238 WeakPolarHBondContact O-CB 3.23Å; D234-S238 PolarHBondContact O-N 2.94Å; A235-S238 PolarHBondContact O-N 3.17Å; A235-S238 PolarHBondContact O-OG 2.93Å; S238-V241 PolarHBondContact O-N 3.03Å; S238-A242 WeakPolarHBondContact O-CB 3.34Å; S238-A242 PolarHBondContact O-N 2.84Å
239	W	48	Very low	49.9	Very low	35 Å²	35	80.1 Å²	80.1	13%	0.133	45%	0.451	C	S	.	.	H	α-helix	trans	-71.5	-42.4	176.9	177.8	81	0	0	0	112	T214 A235 V236 I237 V241 A242 G243 L245 L249	T214-W239 HydrophobicContact CG2-CB 4.04Å; T214-W239 HydrophobicContact CG2-CD2 4.5Å; T214-W239 HydrophobicContact CG2-CG 3.94Å; T214-W239 PolarHBondContact O-NE1 2.94Å; A235-W239 WeakPolarHBondContact O-CB 3.46Å; A235-W239 PolarHBondContact O-N 2.8Å; V236-W239 WeakPolarHBondContact O-CB 3.39Å; V236-W239 PolarHBondContact O-N 2.82Å; I237-W239 PolarHBondContact O-N 2.7Å; W239-V241 PolarHBondContact O-N 2.71Å; W239-A242 PolarHBondContact O-N 3.07Å; W239-G243 WeakPolarHBondContact O-CA 3.25Å; W239-G243 PolarHBondContact O-N 3.25Å; W239-L245 HydrophobicContact CH2-CD1 3.32Å; W239-L245 HydrophobicContact CZ2-CD1 3.14Å; W239-L245 HydrophobicContact CZ3-CD1 4.15Å; W239-L249 HydrophobicContact CZ3-CD1 4.22Å
240	T	49.7	Very low	49.5	Very low	60 Å²	60	83.5 Å²	83.5	37%	0.368	46%	0.463	S	S	.	.	H	α-helix	trans	-64.6	-28.6	174.1	52.3	0	0	0	0	112.3	V236 I237 L249	V236-T240 PolarHBondContact O-N 2.93Å; V236-T240 PolarHBondContact O-OG1 3.28Å; I237-T240 WeakPolarHBondContact CA-OG1 3.45Å; I237-T240 PolarHBondContact O-N 3.42Å; I237-T240 PolarHBondContact O-OG1 3.18Å; T240-L249 HydrophobicContact CG2-CB 3.92Å; T240-L249 HydrophobicContact CG2-CD2 3.58Å; T240-L249 HydrophobicContact CG2-CG 4.31Å
241	V	54	Low	49.1	Very low	118 Å²	118	83.5 Å²	83.5	72%	0.715	46%	0.457	S	S	*	.	H	α-helix	trans	-80.6	-40.7	175.6	176.8	0	0	0	0	111.9	I237 S238 W239	I237-V241 HydrophobicContact CG2-CG2 4.38Å; I237-V241 VanDerWaalsContact O-CG2 3.25Å; I237-V241 WeakPolarHBondContact O-CG2 3.34Å; I237-V241 PolarHBondContact O-N 3.37Å; S238-V241 PolarHBondContact O-N 3.03Å; W239-V241 PolarHBondContact O-N 2.71Å
242	A	52.6	Low	48.7	Very low	86 Å²	86	80.8 Å²	80.8	71%	0.711	44%	0.439	S	S	*	.	H	α-helix	trans	-81.7	-37.9	-176.3	0	0	0	0	0	113	S238 W239	S238-A242 WeakPolarHBondContact O-CB 3.34Å; S238-A242 PolarHBondContact O-N 2.84Å; W239-A242 PolarHBondContact O-N 3.07Å
243	G	44.9	Very low	48.6	Very low	22 Å²	22	81.8 Å²	81.8	23%	0.227	45%	0.45	C	S	.	.	S	Bend	trans	-84.1	118.4	172.9	0	0	0	0	0	109.5	W239 L245	W239-G243 WeakPolarHBondContact O-CA 3.25Å; W239-G243 PolarHBondContact O-N 3.25Å; G243-L245 PolarHBondContact O-N 2.94Å
244	R	43	Very low	48.4	Very low	252 Å²	252	82.3 Å²	82.3	95%	0.951	45%	0.45	S	S	*	.			trans	-68.5	49.5	170.3	-70.8	-179.7	174.2	170.9	-2.4	112	Q246	R244-Q246 PolarHBondContact O-N 3.49Å
245	L	39.6	Very low	48.3	Very low	80 Å²	80	83.8 Å²	83.8	42%	0.419	45%	0.453	S	S	.	.			trans	-81.4	109.1	179.6	-92.8	154.6	0	0	0	109.3	W239 G243 N247	W239-L245 HydrophobicContact CH2-CD1 3.32Å; W239-L245 HydrophobicContact CZ2-CD1 3.14Å; W239-L245 HydrophobicContact CZ3-CD1 4.15Å; G243-L245 PolarHBondContact O-N 2.94Å; L245-N247 HydrophobicContact CD2-CB 4.36Å; L245-N247 PolarHBondContact O-N 2.97Å
246	Q	42	Very low	48.7	Very low	191 Å²	191	86.2 Å²	86.2	89%	0.893	46%	0.463	S	S	*	.			trans	-68.1	-4.5	163.7	-73.6	-164.6	-33.7	0	0	112.8	R244	R244-Q246 PolarHBondContact O-N 3.49Å
247	N	39.9	Very low	49.2	Very low	125 Å²	125	87.2 Å²	87.2	67%	0.668	47%	0.468	S	S	*	.	S	Bend	trans	-119.7	87.7	-169.7	-66.2	-10.2	0	0	0	112.4	L245	L245-N247 HydrophobicContact CD2-CB 4.36Å; L245-N247 PolarHBondContact O-N 2.97Å
248	G	42.6	Very low	49.5	Very low	52 Å²	52	87.4 Å²	87.4	54%	0.536	47%	0.468	S	S	.	.			trans	47	93.3	144.4	0	0	0	0	0	120
249	L	41	Very low	50.1	Low	51 Å²	51	86 Å²	86	27%	0.267	46%	0.461	S	S	.	.			trans	-84.8	127.4	154.4	178.6	80.9	0	0	0	109.6	V236 W239 T240 I251	V236-L249 HydrophobicContact CG1-CD1 3.64Å; V236-L249 HydrophobicContact CG1-CD2 3.17Å; V236-L249 HydrophobicContact CG1-CG 4.01Å; W239-L249 HydrophobicContact CZ3-CD1 4.22Å; T240-L249 HydrophobicContact CG2-CB 3.92Å; T240-L249 HydrophobicContact CG2-CD2 3.58Å; T240-L249 HydrophobicContact CG2-CG 4.31Å; L249-I251 HydrophobicContact CD2-CD1 3.74Å; L249-I251 HydrophobicContact CD2-CG1 3.78Å; L249-I251 HydrophobicContact CG-CG1 4.08Å
250	F	42.4	Very low	51.6	Low	137 Å²	137	85.1 Å²	85.1	60%	0.601	46%	0.458	S	S	*	.			trans	-111.9	96.4	171.8	-75.2	-90.2	0	0	0	109.9
251	I	45.7	Very low	52.9	Low	94 Å²	94	82.4 Å²	82.4	48%	0.482	44%	0.441	S	S	.	.			trans	-86.7	125.1	166	-59.4	169.4	0	0	0	107.3	V236 L249	V236-I251 HydrophobicContact CG1-CD1 3.9Å; V236-I251 HydrophobicContact CG1-CG1 4.35Å; L249-I251 HydrophobicContact CD2-CD1 3.74Å; L249-I251 HydrophobicContact CD2-CG1 3.78Å; L249-I251 HydrophobicContact CG-CG1 4.08Å
252	I	48.6	Very low	53.9	Low	35 Å²	35	78.7 Å²	78.7	18%	0.179	42%	0.417	C	S	.	.			trans	-121.2	121.9	169.9	-64.3	174	0	0	0	106.1	M107 P224 L256	M107-I252 HydrophobicContact CE-CD1 3.28Å; M107-I252 HydrophobicContact CG-CD1 4.26Å; M107-I252 HydrophobicContact SD-CD1 3.23Å; M107-I252 WeakPolarHBondContact SD-CD1 3.37Å; P224-I252 WeakPolarHBondContact CA-O 3.35Å; P224-I252 HydrophobicContact CB-CG2 4.48Å; P224-I252 WeakPolarHBondContact CB-O 3.33Å; P224-I252 HydrophobicContact CG-CB 3.83Å; P224-I252 HydrophobicContact CG-CG2 3.71Å; P224-I252 VanDerWaalsContact CG-O 3.24Å; P224-I252 WeakPolarHBondContact CG-O 3.41Å; I252-L256 HydrophobicContact CD1-CD2 4.27Å; I252-L256 HydrophobicContact CG2-CB 3.67Å; I252-L256 HydrophobicContact CG2-CD2 3.47Å; I252-L256 VanDerWaalsContact CG2-CD2 3.47Å; I252-L256 HydrophobicContact CG2-CG 4.21Å
253	G	51.8	Low	54.9	Low	26 Å²	26	77.3 Å²	77.3	27%	0.268	40%	0.398	S	S	.	.			trans	-93.3	-178.1	176.7	0	0	0	0	0	112.4	E255 L256	G253-E255 WeakPolarHBondContact CA-OE2 3.49Å; G253-E255 PolarHBondContact O-N 3.32Å; G253-E255 VanDerWaalsContact O-N 3.13Å; G253-L256 PolarHBondContact O-N 3.39Å
254	K	52.5	Low	56.6	Low	85 Å²	85	76.3 Å²	76.3	37%	0.37	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-18.5	179.5	-70.5	176.8	-178.3	168.7	0	112.5	L256 E257 I258	K254-L256 PolarHBondContact O-N 3.29Å; K254-E257 PolarHBondContact O-N 2.92Å; K254-E257 VanDerWaalsContact O-N 3.13Å; K254-I258 HydrophobicContact CB-CD1 4.38Å; K254-I258 WeakPolarHBondContact O-CG1 3.5Å; K254-I258 PolarHBondContact O-N 3.18Å
255	E	57.1	Low	58.1	Low	133 Å²	133	64.3 Å²	64.3	62%	0.621	34%	0.342	S	S	*	.	H	α-helix	trans	-57.5	-37.1	179.2	-55	73.2	-153.3	0	0	110.5	G253 A259	G253-E255 WeakPolarHBondContact CA-OE2 3.49Å; G253-E255 PolarHBondContact O-N 3.32Å; G253-E255 VanDerWaalsContact O-N 3.13Å; E255-A259 WeakPolarHBondContact O-CB 3.39Å; E255-A259 PolarHBondContact O-N 2.87Å
256	L	63.3	Low	59.7	Low	72 Å²	72	66.4 Å²	66.4	38%	0.377	34%	0.344	S	S	.	.	H	α-helix	trans	-69.2	-37.7	178.5	-172.8	67.9	0	0	0	112.3	P103 I252 G253 K254 F260	P103-L256 HydrophobicContact CB-CD2 3.76Å; P103-L256 HydrophobicContact CB-CG 4.18Å; P103-L256 HydrophobicContact CG-CD2 4.46Å; P103-L256 HydrophobicContact CG-CG 4.36Å; I252-L256 HydrophobicContact CD1-CD2 4.27Å; I252-L256 HydrophobicContact CG2-CB 3.67Å; I252-L256 HydrophobicContact CG2-CD2 3.47Å; I252-L256 VanDerWaalsContact CG2-CD2 3.47Å; I252-L256 HydrophobicContact CG2-CG 4.21Å; G253-L256 PolarHBondContact O-N 3.39Å; K254-L256 PolarHBondContact O-N 3.29Å; L256-F260 VanDerWaalsContact O-CB 3.29Å; L256-F260 WeakPolarHBondContact O-CB 2.93Å; L256-F260 PolarHBondContact O-N 2.98Å
257	E	63.1	Low	61.3	Low	25 Å²	25	57.3 Å²	57.3	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-72.3	-41.7	178.1	-173.9	-179.5	-172.4	0	0	111.2	M10 W104 H225 K254 F260 Y261	M10-E257 HydrophobicContact CE-CG 4.22Å; M10-E257 HydrophobicContact SD-CG 4.1Å; W104-E257 HydrophobicContact CH2-CG 4.13Å; W104-E257 HydrophobicContact CZ3-CB 4.32Å; W104-E257 HydrophobicContact CZ3-CG 3.99Å; H225-E257 VanDerWaalsContact CE1-CD 3.44Å; H225-E257 IonicContact CE1-OE1 3.83Å; H225-E257 PolarHBondContact CE1-OE1 3.25Å; H225-E257 VanDerWaalsContact CE1-OE1 3.31Å; H225-E257 IonicContact CE1-OE2 2.61Å; H225-E257 PolarHBondContact CE1-OE2 2.83Å; H225-E257 IonicContact ND1-OE2 2.83Å; H225-E257 PolarHBondContact ND1-OE2 2.98Å; H225-E257 VanDerWaalsContact ND1-OE2 3.12Å; K254-E257 PolarHBondContact O-N 2.92Å; K254-E257 VanDerWaalsContact O-N 3.13Å; E257-F260 PolarHBondContact O-N 3.22Å; E257-Y261 HydrophobicContact CG-CD2 3.79Å; E257-Y261 HydrophobicContact CG-CE2 3.57Å; E257-Y261 VanDerWaalsContact O-CD2 3.24Å; E257-Y261 WeakPolarHBondContact O-CD2 3.27Å; E257-Y261 PolarHBondContact O-N 3.45Å
258	I	63.6	Low	62.9	Low	86 Å²	86	51.3 Å²	51.3	44%	0.441	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-49.4	172.3	-64.7	165.5	0	0	0	109.7	M10 K254 F260 Y261 D262	M10-I258 HydrophobicContact CE-CB 4.01Å; M10-I258 HydrophobicContact CE-CD1 4.49Å; M10-I258 HydrophobicContact CE-CG1 3.25Å; K254-I258 HydrophobicContact CB-CD1 4.38Å; K254-I258 WeakPolarHBondContact O-CG1 3.5Å; K254-I258 PolarHBondContact O-N 3.18Å; I258-F260 PolarHBondContact O-N 3.47Å; I258-Y261 PolarHBondContact O-N 3.11Å; I258-D262 WeakPolarHBondContact O-CB 3.48Å; I258-D262 PolarHBondContact O-N 3Å
259	A	67.4	Low	64.2	Low	40 Å²	40	50.1 Å²	50.1	33%	0.331	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-44.7	178.2	0	0	0	0	0	111.6	E255 D262 D263	E255-A259 WeakPolarHBondContact O-CB 3.39Å; E255-A259 PolarHBondContact O-N 2.87Å; A259-D262 PolarHBondContact O-N 2.86Å; A259-D263 WeakPolarHBondContact O-CB 3.25Å; A259-D263 PolarHBondContact O-N 2.77Å
260	F	78	Confident	65.5	Low	18 Å²	18	49.6 Å²	49.6	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-49.8	177.1	173.3	-106.3	0	0	0	112.1	I79 I100 T102 P103 W104 L256 E257 I258 D262 D263 I264	I79-F260 HydrophobicContact CG2-CE1 4.36Å; I79-F260 HydrophobicContact CG2-CZ 4.32Å; I100-F260 HydrophobicContact CG2-CE2 3.84Å; I100-F260 HydrophobicContact CG2-CZ 4.13Å; T102-F260 HydrophobicContact CG2-CE1 4.04Å; T102-F260 HydrophobicContact CG2-CZ 4.12Å; P103-F260 HydrophobicContact CG-CB 3.86Å; P103-F260 HydrophobicContact CG-CD2 3.8Å; P103-F260 HydrophobicContact CG-CG 3.85Å; W104-F260 HydrophobicContact CH2-CD1 4.23Å; L256-F260 VanDerWaalsContact O-CB 3.29Å; L256-F260 WeakPolarHBondContact O-CB 2.93Å; L256-F260 PolarHBondContact O-N 2.98Å; E257-F260 PolarHBondContact O-N 3.22Å; I258-F260 PolarHBondContact O-N 3.47Å; F260-D262 VanDerWaalsContact C-N 3.29Å; F260-D262 PolarHBondContact O-N 3.21Å; F260-D263 PolarHBondContact O-N 2.9Å; F260-I264 HydrophobicContact CD2-CG1 4.49Å; F260-I264 HydrophobicContact CE1-CG1 4.18Å; F260-I264 HydrophobicContact CE2-CD1 4.14Å; F260-I264 HydrophobicContact CE2-CG1 4.12Å; F260-I264 HydrophobicContact CZ-CD1 4.07Å; F260-I264 HydrophobicContact CZ-CG1 3.95Å; F260-I264 VanDerWaalsContact O-CG1 3.26Å; F260-I264 WeakPolarHBondContact O-CG1 2.86Å; F260-I264 PolarHBondContact O-N 3.36Å
261	Y	78.3	Confident	66.8	Low	3 Å²	3	43.3 Å²	43.3	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-70.1	-27.2	179.3	-71.4	-57.7	0	0	0	112.9	G7 M10 L11 F55 I79 W104 E257 I258 A265	G7-Y261 WeakPolarHBondContact CA-OH 3.47Å; M10-Y261 HydrophobicContact CB-CD2 4.2Å; M10-Y261 HydrophobicContact CB-CE2 4.41Å; M10-Y261 HydrophobicContact CE-CD2 4.24Å; M10-Y261 HydrophobicContact CG-CD2 3.84Å; M10-Y261 HydrophobicContact CG-CE2 4.42Å; M10-Y261 HydrophobicContact CG-CG 4.48Å; M10-Y261 HydrophobicContact SD-CD2 3.75Å; M10-Y261 HydrophobicContact SD-CE2 4.06Å; L11-Y261 HydrophobicContact CB-CD1 4.15Å; L11-Y261 HydrophobicContact CD1-CD1 4.16Å; L11-Y261 VanDerWaalsContact CD1-O 3.32Å; L11-Y261 WeakPolarHBondContact CD1-O 3.48Å; F55-Y261 HydrophobicContact CZ-CE1 4.41Å; I79-Y261 HydrophobicContact CD1-CE1 4.31Å; W104-Y261 HydrophobicContact CH2-CE2 4.23Å; E257-Y261 HydrophobicContact CG-CD2 3.79Å; E257-Y261 HydrophobicContact CG-CE2 3.57Å; E257-Y261 VanDerWaalsContact O-CD2 3.24Å; E257-Y261 WeakPolarHBondContact O-CD2 3.27Å; E257-Y261 PolarHBondContact O-N 3.45Å; I258-Y261 PolarHBondContact O-N 3.11Å; Y261-A265 WeakPolarHBondContact O-CB 3.18Å; Y261-A265 PolarHBondContact O-N 3.33Å
262	D	74.4	Confident	67.9	Low	39 Å²	39	40 Å²	40	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-41.6	171.2	-175.9	70.9	0	0	0	112.2	H18 I258 A259 F260 I264 A265 R266	H18-D262 IonicContact CE1-OD1 3.82Å; H18-D262 IonicContact NE2-OD1 2.85Å; H18-D262 PolarHBondContact NE2-OD1 2.94Å; H18-D262 VanDerWaalsContact NE2-OD1 3.08Å; I258-D262 WeakPolarHBondContact O-CB 3.48Å; I258-D262 PolarHBondContact O-N 3Å; A259-D262 PolarHBondContact O-N 2.86Å; F260-D262 VanDerWaalsContact C-N 3.29Å; F260-D262 PolarHBondContact O-N 3.21Å; D262-I264 VanDerWaalsContact C-N 3.31Å; D262-I264 PolarHBondContact O-N 3.3Å; D262-A265 WeakPolarHBondContact O-CB 3.39Å; D262-A265 PolarHBondContact O-N 2.7Å; D262-A265 VanDerWaalsContact O-N 3.12Å; D262-R266 PolarHBondContact O-N 3.39Å; D262-R266 IonicContact OD2-CZ 3.62Å; D262-R266 IonicContact OD2-NE 3.52Å; D262-R266 PolarHBondContact OD2-NE 2.69Å; D262-R266 IonicContact OD2-NH2 3.77Å; D262-R266 PolarHBondContact OD2-NH2 3.19Å
263	D	74.4	Confident	68.6	Low	57 Å²	57	44.3 Å²	44.3	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-42.5	172.3	-71.6	-22.7	0	0	0	110.9	A259 F260 R266 L267 L289	A259-D263 WeakPolarHBondContact O-CB 3.25Å; A259-D263 PolarHBondContact O-N 2.77Å; F260-D263 PolarHBondContact O-N 2.9Å; D263-R266 PolarHBondContact O-N 2.96Å; D263-R266 IonicContact OD1-CZ 2.72Å; D263-R266 VanDerWaalsContact OD1-CZ 3.23Å; D263-R266 IonicContact OD1-NH1 3.91Å; D263-R266 IonicContact OD1-NH2 3.79Å; D263-R266 PolarHBondContact OD1-NH2 3.32Å; D263-L267 WeakPolarHBondContact O-CB 3.3Å; D263-L267 PolarHBondContact O-N 3.21Å; D263-L289 HydrophobicContact CB-CD2 3.88Å
264	I	79.1	Confident	68.7	Low	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-42	173.6	-64	-67.4	0	0	0	111	L11 I53 I79 I100 F260 D262 L267 V268	L11-I264 HydrophobicContact CD1-CB 4.17Å; L11-I264 HydrophobicContact CD1-CG2 3.88Å; L11-I264 HydrophobicContact CD2-CG2 4.11Å; I53-I264 HydrophobicContact CD1-CG2 4.33Å; I79-I264 HydrophobicContact CD1-CG2 4.34Å; I100-I264 HydrophobicContact CB-CD1 4.24Å; I100-I264 HydrophobicContact CD1-CD1 3.38Å; I100-I264 HydrophobicContact CG1-CD1 4.39Å; I100-I264 HydrophobicContact CG2-CD1 3.98Å; F260-I264 HydrophobicContact CD2-CG1 4.49Å; F260-I264 HydrophobicContact CE1-CG1 4.18Å; F260-I264 HydrophobicContact CE2-CD1 4.14Å; F260-I264 HydrophobicContact CE2-CG1 4.12Å; F260-I264 HydrophobicContact CZ-CD1 4.07Å; F260-I264 HydrophobicContact CZ-CG1 3.95Å; F260-I264 VanDerWaalsContact O-CG1 3.26Å; F260-I264 WeakPolarHBondContact O-CG1 2.86Å; F260-I264 PolarHBondContact O-N 3.36Å; D262-I264 VanDerWaalsContact C-N 3.31Å; D262-I264 PolarHBondContact O-N 3.3Å; I264-L267 PolarHBondContact O-N 3.37Å; I264-V268 HydrophobicContact CG2-CG2 4.35Å; I264-V268 WeakPolarHBondContact O-CB 3.22Å; I264-V268 WeakPolarHBondContact O-CG2 2.92Å; I264-V268 PolarHBondContact O-N 2.83Å
265	A	75.2	Confident	68.5	Low	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-42.8	177.7	0	0	0	0	0	111.6	L11 I14 L15 Y261 D262 V268 V269	L11-A265 HydrophobicContact CD1-CB 4.45Å; I14-A265 HydrophobicContact CG2-CB 3.62Å; L15-A265 HydrophobicContact CD2-CB 4.12Å; Y261-A265 WeakPolarHBondContact O-CB 3.18Å; Y261-A265 PolarHBondContact O-N 3.33Å; D262-A265 WeakPolarHBondContact O-CB 3.39Å; D262-A265 PolarHBondContact O-N 2.7Å; D262-A265 VanDerWaalsContact O-N 3.12Å; A265-V268 PolarHBondContact O-N 2.89Å; A265-V269 WeakPolarHBondContact O-CG2 3.34Å; A265-V269 PolarHBondContact O-N 3.39Å
266	R	72.6	Confident	68	Low	124 Å²	124	44.4 Å²	44.4	47%	0.468	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-43.8	174.8	-78.6	-174	-92.6	152.3	-0.8	112.6	D262 D263 V268 V269 S270	D262-R266 PolarHBondContact O-N 3.39Å; D262-R266 IonicContact OD2-CZ 3.62Å; D262-R266 IonicContact OD2-NE 3.52Å; D262-R266 PolarHBondContact OD2-NE 2.69Å; D262-R266 IonicContact OD2-NH2 3.77Å; D262-R266 PolarHBondContact OD2-NH2 3.19Å; D263-R266 PolarHBondContact O-N 2.96Å; D263-R266 IonicContact OD1-CZ 2.72Å; D263-R266 VanDerWaalsContact OD1-CZ 3.23Å; D263-R266 IonicContact OD1-NH1 3.91Å; D263-R266 IonicContact OD1-NH2 3.79Å; D263-R266 PolarHBondContact OD1-NH2 3.32Å; R266-V268 VanDerWaalsContact C-N 3.29Å; R266-V268 PolarHBondContact O-N 3.37Å; R266-V269 PolarHBondContact O-N 3.27Å; R266-S270 PolarHBondContact O-N 3.05Å
267	L	75.5	Confident	67.4	Low	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-46.1	173.4	172	64.6	0	0	0	111.1	I100 D263 I264 V269 S270 L271 V285 C288 L289	I100-L267 HydrophobicContact CD1-CD2 3.57Å; D263-L267 WeakPolarHBondContact O-CB 3.3Å; D263-L267 PolarHBondContact O-N 3.21Å; I264-L267 PolarHBondContact O-N 3.37Å; L267-V269 VanDerWaalsContact C-N 3.33Å; L267-V269 PolarHBondContact O-N 2.95Å; L267-S270 PolarHBondContact O-N 3.07Å; L267-L271 HydrophobicContact CD1-CD1 4.32Å; L267-L271 HydrophobicContact CD1-CG 4.34Å; L267-L271 HydrophobicContact CG-CD1 4.18Å; L267-L271 WeakPolarHBondContact O-CG 3.1Å; L267-L271 PolarHBondContact O-N 3.33Å; L267-V285 HydrophobicContact CD1-CB 4.24Å; L267-V285 HydrophobicContact CD1-CG2 3.65Å; L267-V285 HydrophobicContact CD2-CG2 3.84Å; L267-V285 HydrophobicContact CG-CG2 4.35Å; L267-C288 HydrophobicContact CD1-CB 4.16Å; L267-L289 HydrophobicContact CD2-CD1 3.9Å
268	V	73.5	Confident	66.7	Low	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-39.4	-178.4	171.7	0	0	0	0	111.2	L15 V24 V51 I53 I264 A265 R266 L271 T272	L15-V268 HydrophobicContact CD2-CG1 4.37Å; V24-V268 HydrophobicContact CB-CG1 4.2Å; V24-V268 HydrophobicContact CG1-CG1 3.76Å; V24-V268 HydrophobicContact CG2-CG1 3.33Å; V51-V268 HydrophobicContact CB-CG1 4.07Å; V51-V268 HydrophobicContact CG1-CG1 4.08Å; V51-V268 HydrophobicContact CG1-CG2 4.2Å; V51-V268 HydrophobicContact CG2-CG1 4.32Å; I53-V268 HydrophobicContact CD1-CG1 4.48Å; I53-V268 HydrophobicContact CD1-CG2 3.5Å; I53-V268 HydrophobicContact CG1-CG2 4.1Å; I264-V268 HydrophobicContact CG2-CG2 4.35Å; I264-V268 WeakPolarHBondContact O-CB 3.22Å; I264-V268 WeakPolarHBondContact O-CG2 2.92Å; I264-V268 PolarHBondContact O-N 2.83Å; A265-V268 PolarHBondContact O-N 2.89Å; R266-V268 VanDerWaalsContact C-N 3.29Å; R266-V268 PolarHBondContact O-N 3.37Å; V268-L271 PolarHBondContact O-N 3.04Å; V268-T272 PolarHBondContact O-N 2.8Å; V268-T272 PolarHBondContact O-OG1 3.43Å
269	V	70	Confident	66	Low	26 Å²	26	55.7 Å²	55.7	16%	0.158	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-47	174.1	175	0	0	0	0	110.8	W20 A265 R266 L267 L271 T272 E273	W20-V269 HydrophobicContact CG-CG2 4.29Å; W20-V269 HydrophobicContact CZ2-CG1 4.29Å; A265-V269 WeakPolarHBondContact O-CG2 3.34Å; A265-V269 PolarHBondContact O-N 3.39Å; R266-V269 PolarHBondContact O-N 3.27Å; L267-V269 VanDerWaalsContact C-N 3.33Å; L267-V269 PolarHBondContact O-N 2.95Å; V269-L271 VanDerWaalsContact C-N 3.27Å; V269-L271 PolarHBondContact O-N 2.94Å; V269-T272 WeakPolarHBondContact CA-OG1 3.46Å; V269-T272 PolarHBondContact O-N 2.85Å; V269-T272 VanDerWaalsContact O-N 3.07Å; V269-T272 PolarHBondContact O-OG1 3.37Å; V269-E273 HydrophobicContact CG1-CG 4.41Å; V269-E273 PolarHBondContact O-N 3.29Å
270	S	68.6	Low	65.7	Low	40 Å²	40	54.6 Å²	54.6	28%	0.28	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-38.1	176.7	177.5	0	0	0	0	112.3	R266 L267 A274	R266-S270 PolarHBondContact O-N 3.05Å; L267-S270 PolarHBondContact O-N 3.07Å; S270-A274 WeakPolarHBondContact O-CB 3.27Å; S270-A274 PolarHBondContact O-N 2.94Å
271	L	70.1	Confident	64.8	Low	5 Å²	5	53.8 Å²	53.8	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-70.3	-29.4	176.5	-70.1	174.5	0	0	0	113.6	V51 W75 V77 L267 V268 V269 I281 A284	V51-L271 HydrophobicContact CG1-CD1 4.5Å; V51-L271 HydrophobicContact CG2-CB 3.92Å; W75-L271 HydrophobicContact CE3-CD2 4.42Å; V77-L271 HydrophobicContact CG2-CD1 3.99Å; L267-L271 HydrophobicContact CD1-CD1 4.32Å; L267-L271 HydrophobicContact CD1-CG 4.34Å; L267-L271 HydrophobicContact CG-CD1 4.18Å; L267-L271 WeakPolarHBondContact O-CG 3.1Å; L267-L271 PolarHBondContact O-N 3.33Å; V268-L271 PolarHBondContact O-N 3.04Å; V269-L271 VanDerWaalsContact C-N 3.27Å; V269-L271 PolarHBondContact O-N 2.94Å; L271-I281 HydrophobicContact CD1-CD1 3.94Å; L271-I281 HydrophobicContact CD1-CG1 3.8Å; L271-I281 HydrophobicContact CD2-CD1 4.39Å; L271-I281 HydrophobicContact CD2-CG1 3.44Å; L271-I281 VanDerWaalsContact CD2-CG1 3.44Å; L271-I281 HydrophobicContact CG-CG1 4.28Å; L271-A284 HydrophobicContact CD2-CB 3.46Å; L271-A284 VanDerWaalsContact CD2-CB 3.46Å; L271-A284 HydrophobicContact CG-CB 4.42Å
272	T	68.6	Low	63.9	Low	26 Å²	26	55.5 Å²	55.5	16%	0.16	31%	0.308	C	S	.	.	H	α-helix	trans	-80.2	-31.8	176.4	48.3	0	0	0	0	113.3	A23 V24 V51 V268 V269	A23-T272 HydrophobicContact CB-CG2 4.16Å; V24-T272 HydrophobicContact CG2-CG2 4.46Å; V51-T272 HydrophobicContact CG2-CG2 3.82Å; V268-T272 PolarHBondContact O-N 2.8Å; V268-T272 PolarHBondContact O-OG1 3.43Å; V269-T272 WeakPolarHBondContact CA-OG1 3.46Å; V269-T272 PolarHBondContact O-N 2.85Å; V269-T272 VanDerWaalsContact O-N 3.07Å; V269-T272 PolarHBondContact O-OG1 3.37Å
273	E	62.8	Low	63.2	Low	125 Å²	125	58.9 Å²	58.9	58%	0.584	32%	0.323	S	S	*	.	H	α-helix	trans	-86.2	-22.7	-179.4	-70.6	-178.2	170.5	0	0	113.4	W20 V269 P275	W20-E273 HydrophobicContact CH2-CG 4.24Å; V269-E273 HydrophobicContact CG1-CG 4.41Å; V269-E273 PolarHBondContact O-N 3.29Å; E273-P275 VanDerWaalsContact O-N 3.14Å
274	A	53.6	Low	62.5	Low	42 Å²	42	56.8 Å²	56.8	35%	0.347	31%	0.313	S	S	.	.	S	Bend	trans	-55.5	121	179.3	0	0	0	0	0	110.2	S270 A276	S270-A274 WeakPolarHBondContact O-CB 3.27Å; S270-A274 PolarHBondContact O-N 2.94Å; A274-A276 PolarHBondContact O-N 3.43Å
275	P	49.6	Very low	61.6	Low	110 Å²	110	57.6 Å²	57.6	71%	0.714	32%	0.318	S	S	*	.			trans	-56.2	134.2	-179.8	21.4	-30.7	0	0	0	109	E273 R277	E273-P275 VanDerWaalsContact O-N 3.14Å; P275-R277 PolarHBondContact O-N 2.85Å; P275-R277 VanDerWaalsContact O-N 3.07Å
276	A	47.3	Very low	60.5	Low	94 Å²	94	64 Å²	64	78%	0.777	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	118.5	-175.8	0	0	0	0	0	111.8	A274	A274-A276 PolarHBondContact O-N 3.43Å
277	R	48.9	Very low	59.7	Low	230 Å²	230	61.5 Å²	61.5	87%	0.868	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.3	-5.5	146.9	-64.9	175.2	169.9	173.7	-2.4	121.9	P275	P275-R277 PolarHBondContact O-N 2.85Å; P275-R277 VanDerWaalsContact O-N 3.07Å
278	S	49.1	Very low	58.6	Low	96 Å²	96	63.8 Å²	63.8	67%	0.671	36%	0.36	S	S	*	.	S	Bend	trans	-96.1	-36.7	179.9	63	0	0	0	0	115.5
279	D	49.4	Very low	57.8	Low	94 Å²	94	66.4 Å²	66.4	50%	0.503	37%	0.374	S	S	.	.	S	Bend	trans	-104.8	134.6	-162.9	-58.8	-4	0	0	0	111.5	W75	W75-D279 WeakPolarHBondContact CH2-O 3.46Å
280	S	60.1	Low	57	Low	17 Å²	17	69.2 Å²	69.2	12%	0.119	39%	0.391	C	S	.	.			trans	-65.2	149.9	176.7	67.6	0	0	0	0	111.2	N95 S282 E283 A284	N95-S280 VanDerWaalsContact CG-CB 3.46Å; N95-S280 WeakPolarHBondContact OD1-CB 3.47Å; S280-S282 VanDerWaalsContact CB-OG 3.3Å; S280-S282 WeakPolarHBondContact CB-OG 3.37Å; S280-S282 PolarHBondContact O-N 3.42Å; S280-S282 VanDerWaalsContact O-N 3.09Å; S280-S282 PolarHBondContact OG-OG 3.39Å; S280-E283 WeakPolarHBondContact O-CA 3.42Å; S280-E283 WeakPolarHBondContact O-CB 3.46Å; S280-E283 PolarHBondContact O-N 3.44Å; S280-E283 WeakPolarHBondContact OG-CB 3.5Å; S280-E283 PolarHBondContact OG-N 3.4Å; S280-E283 VanDerWaalsContact OG-N 3.17Å; S280-A284 PolarHBondContact O-N 3.43Å; S280-A284 VanDerWaalsContact O-N 3.13Å
281	I	59.7	Low	55.8	Low	1 Å²	1	73.2 Å²	73.2	1%	0.005	40%	0.403	C	S	.	.	H	α-helix	trans	-55	-35.3	174.3	-137.5	176.4	0	0	0	109.2	W75 N95 V98 L271 E283 A284 V285	W75-I281 HydrophobicContact CB-CD1 4.11Å; W75-I281 HydrophobicContact CD2-CD1 4.34Å; W75-I281 HydrophobicContact CD2-CG1 4.34Å; W75-I281 HydrophobicContact CE3-CB 3.66Å; W75-I281 HydrophobicContact CE3-CD1 3.49Å; W75-I281 VanDerWaalsContact CE3-CD1 3.49Å; W75-I281 HydrophobicContact CE3-CG1 3.3Å; W75-I281 HydrophobicContact CZ3-CB 3.48Å; W75-I281 VanDerWaalsContact CZ3-CB 3.48Å; W75-I281 HydrophobicContact CZ3-CD1 4.25Å; W75-I281 HydrophobicContact CZ3-CG1 3.6Å; N95-I281 VanDerWaalsContact O-CB 3.26Å; N95-I281 WeakPolarHBondContact O-CB 3.5Å; N95-I281 PolarHBondContact O-N 2.93Å; V98-I281 HydrophobicContact CB-CG2 3.8Å; V98-I281 HydrophobicContact CG2-CG2 4.33Å; L271-I281 HydrophobicContact CD1-CD1 3.94Å; L271-I281 HydrophobicContact CD1-CG1 3.8Å; L271-I281 HydrophobicContact CD2-CD1 4.39Å; L271-I281 HydrophobicContact CD2-CG1 3.44Å; L271-I281 VanDerWaalsContact CD2-CG1 3.44Å; L271-I281 HydrophobicContact CG-CG1 4.28Å; I281-E283 PolarHBondContact O-N 2.73Å; I281-A284 PolarHBondContact O-N 3.05Å; I281-V285 VanDerWaalsContact O-CB 3.26Å; I281-V285 WeakPolarHBondContact O-CB 3.09Å; I281-V285 WeakPolarHBondContact O-CG2 3.46Å; I281-V285 PolarHBondContact O-N 3.29Å
282	S	58.7	Low	54.2	Low	38 Å²	38	80.7 Å²	80.7	27%	0.266	44%	0.436	S	S	.	.	H	α-helix	trans	-61.2	-33	177.3	33.7	0	0	0	0	112.1	S280 Y286	S280-S282 VanDerWaalsContact CB-OG 3.3Å; S280-S282 WeakPolarHBondContact CB-OG 3.37Å; S280-S282 PolarHBondContact O-N 3.42Å; S280-S282 VanDerWaalsContact O-N 3.09Å; S280-S282 PolarHBondContact OG-OG 3.39Å; S282-Y286 WeakPolarHBondContact O-CA 3.43Å; S282-Y286 WeakPolarHBondContact O-CB 3.3Å; S282-Y286 PolarHBondContact O-N 3.01Å
283	E	60.9	Low	52.8	Low	111 Å²	111	83.6 Å²	83.6	52%	0.519	46%	0.455	S	S	.	.	H	α-helix	trans	-80.1	-37	178.9	-165.1	152.5	-153.1	0	0	111.6	S280 I281 Y286 S287	S280-E283 WeakPolarHBondContact O-CA 3.42Å; S280-E283 WeakPolarHBondContact O-CB 3.46Å; S280-E283 PolarHBondContact O-N 3.44Å; S280-E283 WeakPolarHBondContact OG-CB 3.5Å; S280-E283 PolarHBondContact OG-N 3.4Å; S280-E283 VanDerWaalsContact OG-N 3.17Å; I281-E283 PolarHBondContact O-N 2.73Å; E283-Y286 PolarHBondContact O-N 3.2Å; E283-S287 WeakPolarHBondContact O-CA 3.27Å; E283-S287 WeakPolarHBondContact O-CB 3.1Å; E283-S287 PolarHBondContact O-N 2.89Å
284	A	59.7	Low	51.4	Low	13 Å²	13	81.3 Å²	81.3	11%	0.107	45%	0.45	C	S	.	.	H	α-helix	trans	-64.3	-43.7	168.8	0	0	0	0	0	111.9	L271 S280 I281 S287 C288	L271-A284 HydrophobicContact CD2-CB 3.46Å; L271-A284 VanDerWaalsContact CD2-CB 3.46Å; L271-A284 HydrophobicContact CG-CB 4.42Å; S280-A284 PolarHBondContact O-N 3.43Å; S280-A284 VanDerWaalsContact O-N 3.13Å; I281-A284 PolarHBondContact O-N 3.05Å; A284-S287 PolarHBondContact O-N 3.49Å; A284-C288 WeakPolarHBondContact O-CB 3.25Å; A284-C288 PolarHBondContact O-N 3.31Å
285	V	59	Low	50.1	Low	18 Å²	18	85.2 Å²	85.2	11%	0.109	46%	0.462	C	S	.	.	H	α-helix	trans	-63.2	-44.6	174.1	170.9	0	0	0	0	110.7	V98 L267 I281 L289	V98-V285 HydrophobicContact CB-CG2 4.2Å; V98-V285 HydrophobicContact CG1-CG2 4Å; V98-V285 HydrophobicContact CG2-CG1 4.33Å; V98-V285 HydrophobicContact CG2-CG2 3.94Å; L267-V285 HydrophobicContact CD1-CB 4.24Å; L267-V285 HydrophobicContact CD1-CG2 3.65Å; L267-V285 HydrophobicContact CD2-CG2 3.84Å; L267-V285 HydrophobicContact CG-CG2 4.35Å; I281-V285 VanDerWaalsContact O-CB 3.26Å; I281-V285 WeakPolarHBondContact O-CB 3.09Å; I281-V285 WeakPolarHBondContact O-CG2 3.46Å; I281-V285 PolarHBondContact O-N 3.29Å; V285-L289 HydrophobicContact CG1-CD1 4.33Å; V285-L289 WeakPolarHBondContact O-CB 2.94Å; V285-L289 PolarHBondContact O-N 2.84Å
286	Y	53.2	Low	49.1	Very low	134 Å²	134	87.1 Å²	87.1	53%	0.525	47%	0.466	S	S	.	.	I	π-helix	trans	-63.8	-50.6	176.8	-166.9	-91.9	0	0	0	109.7	S282 E283 C288 V290 K291	S282-Y286 WeakPolarHBondContact O-CA 3.43Å; S282-Y286 WeakPolarHBondContact O-CB 3.3Å; S282-Y286 PolarHBondContact O-N 3.01Å; E283-Y286 PolarHBondContact O-N 3.2Å; Y286-C288 VanDerWaalsContact C-N 3.34Å; Y286-C288 PolarHBondContact O-N 3.4Å; Y286-V290 HydrophobicContact CD2-CB 3.66Å; Y286-V290 HydrophobicContact CD2-CG1 3.65Å; Y286-V290 HydrophobicContact CD2-CG2 4.22Å; Y286-V290 HydrophobicContact CE2-CB 4Å; Y286-V290 HydrophobicContact CE2-CG1 3.46Å; Y286-V290 VanDerWaalsContact CE2-CG1 3.46Å; Y286-V290 HydrophobicContact CG-CB 4.1Å; Y286-V290 HydrophobicContact CG-CG1 4.46Å; Y286-V290 CarbonylContact O-C 3.53Å; Y286-V290 PolarHBondContact O-N 3.2Å; Y286-K291 HydrophobicContact CD1-CB 4.25Å; Y286-K291 HydrophobicContact CD1-CG 4.47Å; Y286-K291 HydrophobicContact CE1-CB 4.36Å; Y286-K291 HydrophobicContact CE1-CG 4.22Å; Y286-K291 WeakPolarHBondContact O-CA 2.97Å; Y286-K291 VanDerWaalsContact O-CB 3.28Å; Y286-K291 WeakPolarHBondContact O-CB 3.22Å; Y286-K291 PolarHBondContact O-N 3Å
287	S	54.7	Low	48.2	Very low	71 Å²	71	86 Å²	86	50%	0.497	45%	0.453	S	S	.	.	I	π-helix	trans	-53	-44.9	175.8	171.7	0	0	0	0	113.5	E283 A284	E283-S287 WeakPolarHBondContact O-CA 3.27Å; E283-S287 WeakPolarHBondContact O-CB 3.1Å; E283-S287 PolarHBondContact O-N 2.89Å; A284-S287 PolarHBondContact O-N 3.49Å
288	C	53	Low	47.5	Very low	48 Å²	48	79 Å²	79	32%	0.324	43%	0.429	S	S	.	.	I	π-helix	trans	-88.5	-40	-171.6	-162.9	0	0	0	0	113.3	L267 A284 Y286	L267-C288 HydrophobicContact CD1-CB 4.16Å; A284-C288 WeakPolarHBondContact O-CB 3.25Å; A284-C288 PolarHBondContact O-N 3.31Å; Y286-C288 VanDerWaalsContact C-N 3.34Å; Y286-C288 PolarHBondContact O-N 3.4Å
289	L	57.3	Low	46.5	Very low	55 Å²	55	76.7 Å²	76.7	29%	0.288	41%	0.412	S	S	.	.	I	π-helix	trans	-108.6	-31.1	-172.2	-60.1	-177.6	0	0	0	114.7	I100 D263 L267 V285	I100-L289 HydrophobicContact CD1-CD1 3.92Å; D263-L289 HydrophobicContact CB-CD2 3.88Å; L267-L289 HydrophobicContact CD2-CD1 3.9Å; V285-L289 HydrophobicContact CG1-CD1 4.33Å; V285-L289 WeakPolarHBondContact O-CB 2.94Å; V285-L289 PolarHBondContact O-N 2.84Å
290	V	52.8	Low	45.7	Very low	86 Å²	86	79.5 Å²	79.5	52%	0.521	43%	0.427	S	S	.	.	I	π-helix	trans	-107.3	-45	-169	-176.3	0	0	0	0	113	Y286 K292	Y286-V290 HydrophobicContact CD2-CB 3.66Å; Y286-V290 HydrophobicContact CD2-CG1 3.65Å; Y286-V290 HydrophobicContact CD2-CG2 4.22Å; Y286-V290 HydrophobicContact CE2-CB 4Å; Y286-V290 HydrophobicContact CE2-CG1 3.46Å; Y286-V290 VanDerWaalsContact CE2-CG1 3.46Å; Y286-V290 HydrophobicContact CG-CB 4.1Å; Y286-V290 HydrophobicContact CG-CG1 4.46Å; Y286-V290 CarbonylContact O-C 3.53Å; Y286-V290 PolarHBondContact O-N 3.2Å; V290-K292 PolarHBondContact O-N 3.22Å
291	K	42.6	Very low	44.5	Very low	124 Å²	124	82.8 Å²	82.8	54%	0.539	44%	0.441	S	S	.	.			trans	-63.1	69.3	150	-124.2	-173.8	-174.4	-179.6	0	105.6	Y286 P293	Y286-K291 HydrophobicContact CD1-CB 4.25Å; Y286-K291 HydrophobicContact CD1-CG 4.47Å; Y286-K291 HydrophobicContact CE1-CB 4.36Å; Y286-K291 HydrophobicContact CE1-CG 4.22Å; Y286-K291 WeakPolarHBondContact O-CA 2.97Å; Y286-K291 VanDerWaalsContact O-CB 3.28Å; Y286-K291 WeakPolarHBondContact O-CB 3.22Å; Y286-K291 PolarHBondContact O-N 3Å; K291-P293 WeakPolarHBondContact O-CD 3.13Å
292	K	36.9	Very low	43.4	Very low	162 Å²	162	84.3 Å²	84.3	70%	0.704	45%	0.451	S	S	*	.			trans	-42.8	120.1	134.1	-81.9	-173.4	172.7	-176.4	0	103.4	V290 T294	V290-K292 PolarHBondContact O-N 3.22Å; K292-T294 VanDerWaalsContact C-N 3.32Å; K292-T294 WeakPolarHBondContact O-CA 3.33Å; K292-T294 PolarHBondContact O-N 2.94Å
293	P	38.7	Very low	42.6	Very low	86 Å²	86	89.9 Å²	89.9	56%	0.558	47%	0.471	S	S	*	.			trans	-45.3	114	167.8	19	-29.6	0	0	0	104.5	K291 M295 F298	K291-P293 WeakPolarHBondContact O-CD 3.13Å; P293-M295 VanDerWaalsContact C-N 3.33Å; P293-M295 WeakPolarHBondContact O-CA 3.35Å; P293-M295 PolarHBondContact O-N 2.86Å; P293-F298 HydrophobicContact CB-CD2 4.34Å; P293-F298 HydrophobicContact CB-CG 4.41Å
294	T	33.2	Very low	42.1	Very low	78 Å²	78	86.1 Å²	86.1	48%	0.479	45%	0.452	S	S	.	.			trans	-56.3	98.7	-159.2	32.9	0	0	0	0	107.2	K292 D296 S297 F298	K292-T294 VanDerWaalsContact C-N 3.32Å; K292-T294 WeakPolarHBondContact O-CA 3.33Å; K292-T294 PolarHBondContact O-N 2.94Å; T294-D296 PolarHBondContact O-N 3.42Å; T294-S297 PolarHBondContact O-N 2.95Å; T294-S297 VanDerWaalsContact O-N 3.11Å; T294-S297 PolarHBondContact OG1-OG 2.88Å; T294-F298 WeakPolarHBondContact O-CA 3.49Å; T294-F298 WeakPolarHBondContact O-CB 3.14Å; T294-F298 PolarHBondContact O-N 3.16Å
295	M	27.8	Very low	42	Very low	123 Å²	123	88 Å²	88	61%	0.606	47%	0.467	S	S	*	.	H	α-helix	trans	-59.4	-28.7	-166.6	-130	-154.4	81.2	0	0	110.9	P293 C299	P293-M295 VanDerWaalsContact C-N 3.33Å; P293-M295 WeakPolarHBondContact O-CA 3.35Å; P293-M295 PolarHBondContact O-N 2.86Å; M295-C299 WeakPolarHBondContact CE-SG 3.38Å; M295-C299 WeakPolarHBondContact O-CB 3.24Å; M295-C299 PolarHBondContact O-N 3.25Å; M295-C299 PolarHBondContact O-SG 2.99Å
296	D	27.8	Very low	42.4	Very low	150 Å²	150	87.6 Å²	87.6	80%	0.802	47%	0.465	S	S	*	.	H	α-helix	trans	-82	-19.7	-176.1	-62.2	-27.1	0	0	0	114.5	T294	T294-D296 PolarHBondContact O-N 3.42Å
297	S	29.3	Very low	43.6	Very low	72 Å²	72	82 Å²	82	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-104.1	-18.7	166.8	69.7	0	0	0	0	113.1	T294	T294-S297 PolarHBondContact O-N 2.95Å; T294-S297 VanDerWaalsContact O-N 3.11Å; T294-S297 PolarHBondContact OG1-OG 2.88Å
298	F	34	Very low	44.8	Very low	81 Å²	81	80.8 Å²	80.8	36%	0.355	43%	0.433	S	S	.	.	H	α-helix	trans	-81.9	-29	177.5	-161.5	-95.1	0	0	0	112	P293 T294 S302	P293-F298 HydrophobicContact CB-CD2 4.34Å; P293-F298 HydrophobicContact CB-CG 4.41Å; T294-F298 WeakPolarHBondContact O-CA 3.49Å; T294-F298 WeakPolarHBondContact O-CB 3.14Å; T294-F298 PolarHBondContact O-N 3.16Å; F298-S302 PolarHBondContact O-N 2.87Å
299	C	27.9	Very low	45.9	Very low	49 Å²	49	81.8 Å²	81.8	33%	0.331	43%	0.431	S	S	.	.	S	Bend	trans	-76.6	-32.6	178.6	-74	0	0	0	0	113.6	M295 E301 S302	M295-C299 WeakPolarHBondContact CE-SG 3.38Å; M295-C299 WeakPolarHBondContact O-CB 3.24Å; M295-C299 PolarHBondContact O-N 3.25Å; M295-C299 PolarHBondContact O-SG 2.99Å; C299-E301 PolarHBondContact O-N 3.4Å; C299-S302 PolarHBondContact O-N 3.32Å; C299-S302 PolarHBondContact O-OG 3.13Å; C299-S302 VanDerWaalsContact O-OG 3.06Å
300	N	31.8	Very low	47	Very low	153 Å²	153	84 Å²	84	82%	0.818	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-13.9	175.7	-82.5	-2	0	0	0	113.5
301	E	36.3	Very low	47.9	Very low	85 Å²	85	84.8 Å²	84.8	40%	0.397	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.3	172.6	-75	-175.5	-178.9	0	0	113.7	C299 K303 R304	C299-E301 PolarHBondContact O-N 3.4Å; E301-K303 PolarHBondContact O-N 3.02Å; E301-K303 VanDerWaalsContact O-N 3.08Å; E301-R304 WeakPolarHBondContact O-CG 3.3Å
302	S	36.4	Very low	49.4	Very low	33 Å²	33	83.2 Å²	83.2	23%	0.231	43%	0.426	C	S	.	.			trans	-67.5	-6.9	-176.1	71.5	0	0	0	0	115	F298 C299 R304	F298-S302 PolarHBondContact O-N 2.87Å; C299-S302 PolarHBondContact O-N 3.32Å; C299-S302 PolarHBondContact O-OG 3.13Å; C299-S302 VanDerWaalsContact O-OG 3.06Å; S302-R304 PolarHBondContact O-N 3.16Å
303	K	40.5	Very low	51.1	Low	155 Å²	155	79.1 Å²	79.1	67%	0.674	41%	0.409	S	S	*	.			trans	-74.9	65.2	168.3	-69.1	-170.9	175.5	-170.8	0	110.8	E301	E301-K303 PolarHBondContact O-N 3.02Å; E301-K303 VanDerWaalsContact O-N 3.08Å
304	R	52	Low	52.8	Low	33 Å²	33	84.9 Å²	84.9	13%	0.125	43%	0.428	C	S	.	.			trans	-97.5	117.5	177.2	-66.9	175.6	178.9	179.9	1.9	110.5	E301 S302 Y321 F557	E301-R304 WeakPolarHBondContact O-CG 3.3Å; S302-R304 PolarHBondContact O-N 3.16Å; R304-Y321 HydrophobicContact CG-CE2 4.5Å; R304-Y321 PolarHBondContact NE-OH 3.17Å; R304-F557 WeakPolarHBondContact O-CE2 3.41Å; R304-F557 WeakPolarHBondContact O-CZ 3.23Å
305	A	57.8	Low	54.6	Low	52 Å²	52	87.5 Å²	87.5	43%	0.43	44%	0.439	S	S	.	.			trans	-58.7	125.5	166.9	0	0	0	0	0	109.1	F307	A305-F307 VanDerWaalsContact C-N 3.33Å; A305-F307 PolarHBondContact O-N 2.79Å
306	P	65.6	Low	56.7	Low	10 Å²	10	84.2 Å²	84.2	7%	0.065	44%	0.437	C	S	.	.	S	Bend	trans	-73.9	-21.3	-164.7	25	-33.4	0	0	0	113.8	Y323 W611 W612	P306-Y323 WeakPolarHBondContact O-CB 3.48Å; P306-Y323 PolarHBondContact O-N 2.99Å; P306-W611 HydrophobicContact CB-CB 4.31Å; P306-W612 HydrophobicContact CB-CD2 4.34Å; P306-W612 HydrophobicContact CB-CE3 4.19Å; P306-W612 HydrophobicContact CB-CH2 3.72Å; P306-W612 HydrophobicContact CB-CZ2 3.88Å; P306-W612 HydrophobicContact CB-CZ3 3.88Å; P306-W612 HydrophobicContact CG-CH2 3.86Å; P306-W612 HydrophobicContact CG-CZ2 3.58Å; P306-W612 HydrophobicContact CG-CZ3 4.48Å
307	F	80.3	Confident	58.9	Low	16 Å²	16	80.7 Å²	80.7	7%	0.07	42%	0.421	C	S	.	.	S	Bend	trans	-82.5	-58	-170.6	-66	-78.3	0	0	0	113.6	A305 G322 Y323 C324 F393 P553 Y577 W612	A305-F307 VanDerWaalsContact C-N 3.33Å; A305-F307 PolarHBondContact O-N 2.79Å; F307-G322 CarbonylContact O-C 3.52Å; F307-G322 WeakPolarHBondContact O-CA 3.43Å; F307-Y323 HydrophobicContact CD1-CD1 4.25Å; F307-Y323 HydrophobicContact CE1-CD1 4.41Å; F307-Y323 PolarHBondContact O-N 2.98Å; F307-Y323 VanDerWaalsContact O-N 3.17Å; F307-C324 WeakPolarHBondContact O-CB 3.37Å; F307-C324 PolarHBondContact O-N 3.01Å; F307-F393 HydrophobicContact CD1-CE2 4.49Å; F307-F393 HydrophobicContact CE1-CE2 4.32Å; F307-P553 HydrophobicContact CZ-CB 4.48Å; F307-Y577 AromaticContact CE1-CD2 3.76Å; F307-Y577 HydrophobicContact CE1-CD2 3.76Å; F307-Y577 AromaticContact CE1-CE2 3.94Å; F307-Y577 HydrophobicContact CE1-CE2 3.94Å; F307-Y577 HydrophobicContact CE2-CE2 4.18Å; F307-Y577 AromaticContact CZ-CD2 3.74Å; F307-Y577 HydrophobicContact CZ-CD2 3.74Å; F307-Y577 AromaticContact CZ-CE2 3.41Å; F307-Y577 HydrophobicContact CZ-CE2 3.41Å; F307-Y577 VanDerWaalsContact CZ-CE2 3.41Å; F307-W612 HydrophobicContact CD1-CH2 4.39Å; F307-W612 AromaticContact CE1-CH2 3.75Å; F307-W612 HydrophobicContact CE1-CH2 3.75Å; F307-W612 HydrophobicContact CE1-CZ2 4.27Å; F307-W612 HydrophobicContact CE2-CH2 4.14Å; F307-W612 AromaticContact CE2-CZ2 3.98Å; F307-W612 HydrophobicContact CE2-CZ2 3.98Å; F307-W612 AromaticContact CZ-CH2 3.59Å; F307-W612 HydrophobicContact CZ-CH2 3.59Å; F307-W612 AromaticContact CZ-CZ2 3.63Å; F307-W612 HydrophobicContact CZ-CZ2 3.63Å
308	V	79.6	Confident	60.7	Low	46 Å²	46	84.5 Å²	84.5	28%	0.279	43%	0.425	S	S	.	.			trans	-143.3	130.9	176.2	179	0	0	0	0	107.8	Y320 C324 I325 L374	V308-Y320 HydrophobicContact CG1-CD1 4.22Å; V308-C324 HydrophobicContact CG2-CB 3.78Å; V308-I325 HydrophobicContact CG1-CD1 4.05Å; V308-I325 HydrophobicContact CG1-CG1 4.34Å; V308-I325 HydrophobicContact CG2-CD1 4.11Å; V308-I325 HydrophobicContact CG2-CG1 4.36Å; V308-L374 HydrophobicContact CG2-CB 4.34Å; V308-L374 WeakPolarHBondContact CG2-O 3.46Å
309	Y	76.5	Confident	63	Low	68 Å²	68	85.2 Å²	85.2	27%	0.267	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.4	179.3	-174.7	-85.8	0	0	0	109.8	R311 Y320 Y321	Y309-R311 HydrophobicContact CE1-CB 4.24Å; Y309-Y320 CarbonylContact O-C 3.53Å; Y309-Y320 VanDerWaalsContact O-CA 3.31Å; Y309-Y320 WeakPolarHBondContact O-CA 3.5Å; Y309-Y321 HydrophobicContact CD1-CD1 4.37Å; Y309-Y321 HydrophobicContact CD1-CD2 4.33Å; Y309-Y321 AromaticContact CD1-CE1 3.6Å; Y309-Y321 HydrophobicContact CD1-CE1 3.6Å; Y309-Y321 AromaticContact CD1-CE2 3.52Å; Y309-Y321 HydrophobicContact CD1-CE2 3.52Å; Y309-Y321 AromaticContact CD1-CZ 3.1Å; Y309-Y321 WeakPolarHBondContact CD1-OH 3.1Å; Y309-Y321 HydrophobicContact CE1-CE1 4.11Å; Y309-Y321 HydrophobicContact CE1-CE2 4.37Å; Y309-Y321 AromaticContact CE1-CZ 3.61Å; Y309-Y321 WeakPolarHBondContact CE1-OH 3.47Å; Y309-Y321 AromaticContact CG-CE2 3.81Å; Y309-Y321 HydrophobicContact CG-CE2 3.81Å; Y309-Y321 AromaticContact CG-CZ 3.88Å; Y309-Y321 PolarHBondContact N-O 3.1Å; Y309-Y321 PolarHBondContact O-N 3.41Å
310	R	78.6	Confident	65.6	Low	103 Å²	103	84.6 Å²	84.6	39%	0.389	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.1	175.1	-166.1	-176.4	79.4	-153.8	3.6	109.8	D312 W318 Y320 E343	R310-D312 IonicContact CZ-OD1 3.75Å; R310-D312 IonicContact CZ-OD2 2.83Å; R310-D312 IonicContact NE-OD1 2.59Å; R310-D312 PolarHBondContact NE-OD1 3.15Å; R310-D312 IonicContact NE-OD2 3.72Å; R310-D312 PolarHBondContact NE-OD2 2.98Å; R310-D312 IonicContact NH2-OD1 2.86Å; R310-D312 IonicContact NH2-OD2 3.34Å; R310-D312 PolarHBondContact NH2-OD2 3.37Å; R310-W318 HydrophobicContact CG-CB 4.02Å; R310-W318 HydrophobicContact CG-CG 4.38Å; R310-Y320 HydrophobicContact CB-CD1 3.94Å; R310-Y320 HydrophobicContact CB-CE1 3.67Å; R310-Y320 HydrophobicContact CG-CD1 4.06Å; R310-Y320 HydrophobicContact CG-CE1 3.58Å; R310-E343 IonicContact CZ-OE2 2.88Å; R310-E343 IonicContact NH1-OE2 3.92Å; R310-E343 PolarHBondContact NH1-OE2 2.91Å
311	R	72.3	Confident	67.9	Low	101 Å²	101	78.8 Å²	78.8	38%	0.381	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.3	171.3	-179.9	-176.7	-166	169.8	8.2	110.1	Y309 F313 W318 L319 Y321	Y309-R311 HydrophobicContact CE1-CB 4.24Å; R311-F313 HydrophobicContact CG-CZ 4.45Å; R311-W318 CarbonylContact O-C 3.59Å; R311-W318 WeakPolarHBondContact O-CA 3.41Å; R311-L319 PolarHBondContact N-O 2.76Å; R311-L319 PolarHBondContact O-N 2.51Å; R311-Y321 HydrophobicContact CB-CD1 4.33Å; R311-Y321 HydrophobicContact CB-CE1 3.65Å; R311-Y321 HydrophobicContact CG-CE1 4.48Å
312	D	75.1	Confident	70.2	Confident	91 Å²	91	74.8 Å²	74.8	49%	0.487	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128	174.4	-57.5	-27.2	0	0	0	108.8	R310 W318	R310-D312 IonicContact CZ-OD1 3.75Å; R310-D312 IonicContact CZ-OD2 2.83Å; R310-D312 IonicContact NE-OD1 2.59Å; R310-D312 PolarHBondContact NE-OD1 3.15Å; R310-D312 IonicContact NE-OD2 3.72Å; R310-D312 PolarHBondContact NE-OD2 2.98Å; R310-D312 IonicContact NH2-OD1 2.86Å; R310-D312 IonicContact NH2-OD2 3.34Å; R310-D312 PolarHBondContact NH2-OD2 3.37Å; D312-W318 VanDerWaalsContact OD1-CB 3.31Å; D312-W318 WeakPolarHBondContact OD1-CB 3.22Å
313	F	71.4	Confident	72.6	Confident	77 Å²	77	73.2 Å²	73.2	34%	0.338	36%	0.36	S	S	.	.			trans	-93.9	150.9	172.6	-64.9	-87.2	0	0	0	109.5	R311 N315 G316 T317 L319	R311-F313 HydrophobicContact CG-CZ 4.45Å; F313-N315 PolarHBondContact O-N 2.92Å; F313-G316 PolarHBondContact O-N 3.34Å; F313-T317 WeakPolarHBondContact CB-O 3.41Å; F313-T317 WeakPolarHBondContact CD2-O 3.28Å; F313-T317 PolarHBondContact N-O 3.05Å; F313-L319 HydrophobicContact CE2-CB 3.69Å; F313-L319 HydrophobicContact CZ-CB 4.4Å
314	E	75.6	Confident	74.9	Confident	206 Å²	206	65.9 Å²	65.9	96%	0.963	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.2	178.5	-64.1	-178	172.8	0	0	113.2	G316	E314-G316 PolarHBondContact O-N 3.29Å
315	N	70.5	Confident	76.7	Confident	133 Å²	133	65 Å²	65	71%	0.711	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.6	177.9	-35.3	29.4	0	0	0	113.1	F313 T317	F313-N315 PolarHBondContact O-N 2.92Å; N315-T317 VanDerWaalsContact C-N 3.28Å
316	G	71.6	Confident	78.2	Confident	55 Å²	55	64.1 Å²	64.1	57%	0.567	31%	0.313	S	S	*	.	S	Bend	trans	81	1.5	-170.3	0	0	0	0	0	114.3	F313 E314	F313-G316 PolarHBondContact O-N 3.34Å; E314-G316 PolarHBondContact O-N 3.29Å
317	T	73	Confident	79.4	Confident	76 Å²	76	63.6 Å²	63.6	47%	0.466	31%	0.31	S	S	.	.			trans	-86.2	149.1	171.8	55.1	0	0	0	0	110.1	F313 N315	F313-T317 WeakPolarHBondContact CB-O 3.41Å; F313-T317 WeakPolarHBondContact CD2-O 3.28Å; F313-T317 PolarHBondContact N-O 3.05Å; N315-T317 VanDerWaalsContact C-N 3.28Å
318	W	68.8	Low	79.9	Confident	152 Å²	152	63.1 Å²	63.1	58%	0.576	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.7	174.6	56.9	88.7	0	0	0	111.6	R310 R311 D312 Y320	R310-W318 HydrophobicContact CG-CB 4.02Å; R310-W318 HydrophobicContact CG-CG 4.38Å; R311-W318 CarbonylContact O-C 3.59Å; R311-W318 WeakPolarHBondContact O-CA 3.41Å; D312-W318 VanDerWaalsContact OD1-CB 3.31Å; D312-W318 WeakPolarHBondContact OD1-CB 3.22Å; W318-Y320 AromaticContact CD1-CE2 3.55Å; W318-Y320 AromaticContact CD1-CZ 3.95Å; W318-Y320 AromaticContact NE1-CE2 3.7Å
319	L	80.8	Confident	80.4	Confident	95 Å²	95	63.8 Å²	63.8	50%	0.497	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.1	175.3	-179.7	72.9	0	0	0	109.9	R311 F313	R311-L319 PolarHBondContact N-O 2.76Å; R311-L319 PolarHBondContact O-N 2.51Å; F313-L319 HydrophobicContact CE2-CB 3.69Å; F313-L319 HydrophobicContact CZ-CB 4.4Å
320	Y	82.5	Confident	81.1	Confident	37 Å²	37	61.8 Å²	61.8	15%	0.145	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.9	173	-65.3	-77.5	0	0	0	111	V308 Y309 R310 W318 I341	V308-Y320 HydrophobicContact CG1-CD1 4.22Å; Y309-Y320 CarbonylContact O-C 3.53Å; Y309-Y320 VanDerWaalsContact O-CA 3.31Å; Y309-Y320 WeakPolarHBondContact O-CA 3.5Å; R310-Y320 HydrophobicContact CB-CD1 3.94Å; R310-Y320 HydrophobicContact CB-CE1 3.67Å; R310-Y320 HydrophobicContact CG-CD1 4.06Å; R310-Y320 HydrophobicContact CG-CE1 3.58Å; W318-Y320 AromaticContact CD1-CE2 3.55Å; W318-Y320 AromaticContact CD1-CZ 3.95Å; W318-Y320 AromaticContact NE1-CE2 3.7Å; Y320-I341 HydrophobicContact CD1-CG2 4.43Å; Y320-I341 HydrophobicContact CD2-CB 3.94Å; Y320-I341 HydrophobicContact CD2-CG2 3.8Å; Y320-I341 HydrophobicContact CE2-CB 4.15Å; Y320-I341 HydrophobicContact CE2-CG2 3.93Å; Y320-I341 WeakPolarHBondContact CE2-O 3.46Å; Y320-I341 HydrophobicContact CG-CG2 4.07Å
321	Y	81.7	Confident	81.6	Confident	31 Å²	31	57 Å²	57	12%	0.122	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.9	170.2	60.6	-104.4	0	0	0	110.4	R304 Y309 R311 W611	R304-Y321 HydrophobicContact CG-CE2 4.5Å; R304-Y321 PolarHBondContact NE-OH 3.17Å; Y309-Y321 HydrophobicContact CD1-CD1 4.37Å; Y309-Y321 HydrophobicContact CD1-CD2 4.33Å; Y309-Y321 AromaticContact CD1-CE1 3.6Å; Y309-Y321 HydrophobicContact CD1-CE1 3.6Å; Y309-Y321 AromaticContact CD1-CE2 3.52Å; Y309-Y321 HydrophobicContact CD1-CE2 3.52Å; Y309-Y321 AromaticContact CD1-CZ 3.1Å; Y309-Y321 WeakPolarHBondContact CD1-OH 3.1Å; Y309-Y321 HydrophobicContact CE1-CE1 4.11Å; Y309-Y321 HydrophobicContact CE1-CE2 4.37Å; Y309-Y321 AromaticContact CE1-CZ 3.61Å; Y309-Y321 WeakPolarHBondContact CE1-OH 3.47Å; Y309-Y321 AromaticContact CG-CE2 3.81Å; Y309-Y321 HydrophobicContact CG-CE2 3.81Å; Y309-Y321 AromaticContact CG-CZ 3.88Å; Y309-Y321 PolarHBondContact N-O 3.1Å; Y309-Y321 PolarHBondContact O-N 3.41Å; R311-Y321 HydrophobicContact CB-CD1 4.33Å; R311-Y321 HydrophobicContact CB-CE1 3.65Å; R311-Y321 HydrophobicContact CG-CE1 4.48Å; Y321-W611 AromaticContact CD2-CH2 3.57Å; Y321-W611 HydrophobicContact CD2-CH2 3.57Å; Y321-W611 AromaticContact CD2-CZ3 3.72Å; Y321-W611 HydrophobicContact CD2-CZ3 3.72Å; Y321-W611 HydrophobicContact CE2-CH2 4.47Å; Y321-W611 HydrophobicContact CE2-CZ3 4.23Å; Y321-W611 HydrophobicContact CG-CH2 4.27Å
322	G	83.8	Confident	82.4	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	150.5	172.8	-179.5	0	0	0	0	0	112.2	F307 C324 I325 D326 W611	F307-G322 CarbonylContact O-C 3.52Å; F307-G322 WeakPolarHBondContact O-CA 3.43Å; G322-C324 VanDerWaalsContact C-N 3.32Å; G322-C324 PolarHBondContact O-N 2.8Å; G322-I325 WeakPolarHBondContact O-CB 3.48Å; G322-I325 PolarHBondContact O-N 2.89Å; G322-D326 PolarHBondContact O-N 3.1Å; G322-W611 WeakPolarHBondContact O-CZ2 3.39Å
323	Y	86.4	Confident	83.2	Confident	1 Å²	1	57.1 Å²	57.1	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-43.4	177.9	-177.8	-86	0	0	0	112.1	P306 F307 I325 I327 F393 M604 L607 W611 W612	P306-Y323 WeakPolarHBondContact O-CB 3.48Å; P306-Y323 PolarHBondContact O-N 2.99Å; F307-Y323 HydrophobicContact CD1-CD1 4.25Å; F307-Y323 HydrophobicContact CE1-CD1 4.41Å; F307-Y323 PolarHBondContact O-N 2.98Å; F307-Y323 VanDerWaalsContact O-N 3.17Å; Y323-I325 VanDerWaalsContact C-N 3.35Å; Y323-I327 HydrophobicContact CD1-CD1 3.76Å; Y323-I327 HydrophobicContact CE1-CD1 3.33Å; Y323-I327 HydrophobicContact CE1-CG1 4.48Å; Y323-I327 WeakPolarHBondContact O-CG1 3.37Å; Y323-I327 PolarHBondContact O-N 3.25Å; Y323-F393 HydrophobicContact CD1-CD2 4.32Å; Y323-F393 HydrophobicContact CD1-CE2 4.01Å; Y323-F393 AromaticContact CE1-CD2 3.52Å; Y323-F393 HydrophobicContact CE1-CD2 3.52Å; Y323-F393 AromaticContact CE1-CE2 3.63Å; Y323-F393 HydrophobicContact CE1-CE2 3.63Å; Y323-F393 PolarHBondContact OH-O 3.37Å; Y323-M604 PolarHBondContact OH-SD 3.08Å; Y323-M604 VanDerWaalsContact OH-SD 3.34Å; Y323-L607 HydrophobicContact CD2-CB 3.6Å; Y323-L607 HydrophobicContact CD2-CD1 4.48Å; Y323-L607 HydrophobicContact CE2-CB 3.35Å; Y323-L607 HydrophobicContact CE2-CD1 4.32Å; Y323-W611 HydrophobicContact CD2-CB 4.39Å; Y323-W611 AromaticContact CD2-CD1 3.8Å; Y323-W611 HydrophobicContact CD2-CG 4.35Å; Y323-W612 HydrophobicContact CD2-CE3 4.47Å; Y323-W612 HydrophobicContact CD2-CH2 4.36Å; Y323-W612 AromaticContact CD2-CZ3 3.56Å; Y323-W612 HydrophobicContact CD2-CZ3 3.56Å; Y323-W612 HydrophobicContact CE2-CZ3 4.12Å; Y323-W612 HydrophobicContact CG-CH2 4.33Å; Y323-W612 AromaticContact CG-CZ3 3.91Å; Y323-W612 HydrophobicContact CG-CZ3 3.91Å
324	C	89.2	Confident	84	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-72.8	-28.6	176.6	-63.2	0	0	0	0	112.4	F307 V308 G322 I327 L328 L374	F307-C324 WeakPolarHBondContact O-CB 3.37Å; F307-C324 PolarHBondContact O-N 3.01Å; V308-C324 HydrophobicContact CG2-CB 3.78Å; G322-C324 VanDerWaalsContact C-N 3.32Å; G322-C324 PolarHBondContact O-N 2.8Å; C324-I327 PolarHBondContact O-N 3.45Å; C324-L328 WeakPolarHBondContact O-CB 3.43Å; C324-L328 PolarHBondContact O-N 3.38Å; C324-L374 HydrophobicContact CB-CB 4.1Å; C324-L374 HydrophobicContact CB-CD2 4.39Å
325	I	90.2	Very high	84.6	Confident	13 Å²	13	50.1 Å²	50.1	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-71.8	-42.6	177.7	-55.5	-56.5	0	0	0	110.8	V308 G322 Y323 I327 L328 E329 I341	V308-I325 HydrophobicContact CG1-CD1 4.05Å; V308-I325 HydrophobicContact CG1-CG1 4.34Å; V308-I325 HydrophobicContact CG2-CD1 4.11Å; V308-I325 HydrophobicContact CG2-CG1 4.36Å; G322-I325 WeakPolarHBondContact O-CB 3.48Å; G322-I325 PolarHBondContact O-N 2.89Å; Y323-I325 VanDerWaalsContact C-N 3.35Å; I325-I327 VanDerWaalsContact C-N 3.27Å; I325-I327 PolarHBondContact O-N 3.27Å; I325-L328 PolarHBondContact O-N 3.4Å; I325-L328 VanDerWaalsContact O-N 3.15Å; I325-E329 PolarHBondContact O-N 2.87Å; I325-I341 HydrophobicContact CD1-CD1 3.71Å
326	D	89.3	Confident	85.5	Confident	34 Å²	34	51 Å²	51	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-37.4	174.3	-75.6	-8.4	0	0	0	111.4	G322 T330 L607 K610 W611	G322-D326 PolarHBondContact O-N 3.1Å; D326-T330 WeakPolarHBondContact O-CB 3.41Å; D326-T330 PolarHBondContact O-N 2.87Å; D326-T330 VanDerWaalsContact O-N 3.13Å; D326-T330 PolarHBondContact O-OG1 3.38Å; D326-L607 HydrophobicContact CB-CD1 4.16Å; D326-L607 HydrophobicContact CB-CD2 3.68Å; D326-L607 WeakPolarHBondContact OD2-CD2 3.2Å; D326-K610 IonicContact OD1-NZ 3.11Å; D326-K610 IonicContact OD2-NZ 2.71Å; D326-K610 PolarHBondContact OD2-NZ 3.03Å; D326-W611 WeakPolarHBondContact OD2-CZ2 3.4Å; D326-W611 PolarHBondContact OD2-NE1 3.15Å
327	I	90.5	Very high	86.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-46.9	172.5	-68.6	169.6	0	0	0	110.4	Y323 C324 I325 E329 T330 L331 F393 I579 M604 L607	Y323-I327 HydrophobicContact CD1-CD1 3.76Å; Y323-I327 HydrophobicContact CE1-CD1 3.33Å; Y323-I327 HydrophobicContact CE1-CG1 4.48Å; Y323-I327 WeakPolarHBondContact O-CG1 3.37Å; Y323-I327 PolarHBondContact O-N 3.25Å; C324-I327 PolarHBondContact O-N 3.45Å; I325-I327 VanDerWaalsContact C-N 3.27Å; I325-I327 PolarHBondContact O-N 3.27Å; I327-E329 PolarHBondContact O-N 3.08Å; I327-T330 WeakPolarHBondContact O-CB 3.21Å; I327-T330 PolarHBondContact O-N 3.1Å; I327-L331 HydrophobicContact CG2-CD1 3.84Å; I327-L331 HydrophobicContact CG2-CG 4.16Å; I327-L331 VanDerWaalsContact O-CG 3.31Å; I327-L331 WeakPolarHBondContact O-CG 3.13Å; I327-L331 PolarHBondContact O-N 3.19Å; I327-F393 HydrophobicContact CD1-CB 4.19Å; I327-F393 HydrophobicContact CD1-CD2 3.93Å; I327-F393 HydrophobicContact CD1-CE2 4.5Å; I327-F393 HydrophobicContact CD1-CG 4.12Å; I327-I579 HydrophobicContact CG2-CD1 3.97Å; I327-M604 HydrophobicContact CD1-CE 4.02Å; I327-M604 HydrophobicContact CD1-SD 3.88Å; I327-M604 HydrophobicContact CG1-CE 4.29Å; I327-M604 HydrophobicContact CG1-SD 4.3Å; I327-L607 HydrophobicContact CD1-CD1 4.38Å; I327-L607 HydrophobicContact CG1-CD1 3.68Å
328	L	91.2	Very high	87.2	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-46.1	179.3	-177.6	69.7	0	0	0	112.1	C324 I325 T330 L331 S332 F337 Y339 I341 L374	C324-L328 WeakPolarHBondContact O-CB 3.43Å; C324-L328 PolarHBondContact O-N 3.38Å; I325-L328 PolarHBondContact O-N 3.4Å; I325-L328 VanDerWaalsContact O-N 3.15Å; L328-T330 PolarHBondContact O-N 3.08Å; L328-L331 PolarHBondContact O-N 3.09Å; L328-S332 VanDerWaalsContact O-CB 3.32Å; L328-S332 WeakPolarHBondContact O-CB 3.27Å; L328-S332 PolarHBondContact O-N 2.85Å; L328-F337 HydrophobicContact CD1-CE2 4Å; L328-F337 HydrophobicContact CD1-CZ 3.93Å; L328-Y339 HydrophobicContact CD2-CD1 3.91Å; L328-Y339 HydrophobicContact CD2-CD2 3.46Å; L328-Y339 VanDerWaalsContact CD2-CD2 3.46Å; L328-Y339 HydrophobicContact CD2-CE1 3.95Å; L328-Y339 HydrophobicContact CD2-CE2 3.53Å; L328-Y339 HydrophobicContact CD2-CG 3.65Å; L328-Y339 HydrophobicContact CG-CD1 4.03Å; L328-Y339 HydrophobicContact CG-CD2 4.44Å; L328-Y339 HydrophobicContact CG-CE1 4.06Å; L328-Y339 HydrophobicContact CG-CG 4.21Å; L328-I341 HydrophobicContact CD2-CD1 3.65Å; L328-I341 HydrophobicContact CD2-CG1 4.08Å; L328-L374 HydrophobicContact CB-CD1 3.74Å; L328-L374 HydrophobicContact CD1-CD1 3.96Å; L328-L374 HydrophobicContact CD2-CD1 3.52Å; L328-L374 HydrophobicContact CG-CD1 3.9Å
329	E	90.4	Very high	88.2	Confident	60 Å²	60	50.7 Å²	50.7	28%	0.28	25%	0.25	S	C	.	.	H	α-helix	trans	-58.4	-41.2	177	-179.6	64.3	-161.2	0	0	110.8	I325 I327 S332 R333 Y339	I325-E329 PolarHBondContact O-N 2.87Å; I327-E329 PolarHBondContact O-N 3.08Å; E329-S332 PolarHBondContact O-N 3.37Å; E329-R333 WeakPolarHBondContact O-CG 3.33Å; E329-R333 PolarHBondContact O-N 2.87Å; E329-R333 VanDerWaalsContact O-N 3.09Å; E329-R333 IonicContact OE1-CZ 3.42Å; E329-R333 IonicContact OE1-NE 2.8Å; E329-R333 PolarHBondContact OE1-NE 3.19Å; E329-R333 IonicContact OE1-NH2 3.43Å; E329-R333 PolarHBondContact OE1-NH2 2.96Å; E329-Y339 PolarHBondContact OE2-OH 2.97Å
330	T	89.3	Confident	88.5	Confident	27 Å²	27	54.5 Å²	54.5	17%	0.166	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-42.2	177	-53	0	0	0	0	111.7	D326 I327 L328 R333 N334 L598 F603	D326-T330 WeakPolarHBondContact O-CB 3.41Å; D326-T330 PolarHBondContact O-N 2.87Å; D326-T330 VanDerWaalsContact O-N 3.13Å; D326-T330 PolarHBondContact O-OG1 3.38Å; I327-T330 WeakPolarHBondContact O-CB 3.21Å; I327-T330 PolarHBondContact O-N 3.1Å; L328-T330 PolarHBondContact O-N 3.08Å; T330-R333 PolarHBondContact O-N 2.84Å; T330-N334 WeakPolarHBondContact O-CB 3.26Å; T330-N334 VanDerWaalsContact O-CG 3.28Å; T330-N334 PolarHBondContact O-N 3.4Å; T330-L598 HydrophobicContact CG2-CD1 3.93Å; T330-L598 HydrophobicContact CG2-CD2 3.6Å; T330-L598 HydrophobicContact CG2-CG 4.4Å; T330-F603 HydrophobicContact CG2-CE1 4.24Å
331	L	89.4	Confident	88.7	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-43	175.1	-70.6	174.3	0	0	0	111.5	I327 L328 R333 N334 L335 F337 I579 V591 Q594	I327-L331 HydrophobicContact CG2-CD1 3.84Å; I327-L331 HydrophobicContact CG2-CG 4.16Å; I327-L331 VanDerWaalsContact O-CG 3.31Å; I327-L331 WeakPolarHBondContact O-CG 3.13Å; I327-L331 PolarHBondContact O-N 3.19Å; L328-L331 PolarHBondContact O-N 3.09Å; L331-R333 PolarHBondContact O-N 2.98Å; L331-N334 PolarHBondContact O-N 2.89Å; L331-L335 VanDerWaalsContact O-CB 3.3Å; L331-L335 WeakPolarHBondContact O-CB 3.44Å; L331-L335 PolarHBondContact O-N 3.24Å; L331-F337 HydrophobicContact CB-CE1 4.01Å; L331-F337 HydrophobicContact CB-CZ 4.04Å; L331-F337 WeakPolarHBondContact O-CE1 3.41Å; L331-I579 HydrophobicContact CD1-CD1 3.71Å; L331-V591 HydrophobicContact CD1-CG1 3.94Å; L331-Q594 HydrophobicContact CD2-CB 3.42Å; L331-Q594 VanDerWaalsContact CD2-CB 3.42Å; L331-Q594 HydrophobicContact CD2-CG 4.25Å
332	S	90.3	Very high	89	Confident	18 Å²	18	58.5 Å²	58.5	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-45.8	178	167.9	0	0	0	0	111.4	L328 E329 N336 F337	L328-S332 VanDerWaalsContact O-CB 3.32Å; L328-S332 WeakPolarHBondContact O-CB 3.27Å; L328-S332 PolarHBondContact O-N 2.85Å; E329-S332 PolarHBondContact O-N 3.37Å; S332-N336 WeakPolarHBondContact O-CA 2.98Å; S332-N336 PolarHBondContact O-N 2.79Å; S332-F337 VanDerWaalsContact CA-CE1 3.43Å; S332-F337 WeakPolarHBondContact CB-O 3.16Å; S332-F337 PolarHBondContact O-N 2.93Å; S332-F337 PolarHBondContact OG-O 3.04Å
333	R	90.8	Very high	89	Confident	176 Å²	176	63.7 Å²	63.7	66%	0.664	31%	0.308	S	S	*	.	H	α-helix	trans	-66.8	-42.3	176.2	-68.8	174.7	-171.5	-175.2	3	112.8	E329 T330 L331	E329-R333 WeakPolarHBondContact O-CG 3.33Å; E329-R333 PolarHBondContact O-N 2.87Å; E329-R333 VanDerWaalsContact O-N 3.09Å; E329-R333 IonicContact OE1-CZ 3.42Å; E329-R333 IonicContact OE1-NE 2.8Å; E329-R333 PolarHBondContact OE1-NE 3.19Å; E329-R333 IonicContact OE1-NH2 3.43Å; E329-R333 PolarHBondContact OE1-NH2 2.96Å; T330-R333 PolarHBondContact O-N 2.84Å; L331-R333 PolarHBondContact O-N 2.98Å
334	N	89.1	Confident	88.9	Confident	87 Å²	87	64.4 Å²	64.4	47%	0.465	31%	0.312	S	S	.	.	H	α-helix	trans	-75.6	-34.7	-175.8	-72.8	0.5	0	0	0	113.3	T330 L331 Q594	T330-N334 WeakPolarHBondContact O-CB 3.26Å; T330-N334 VanDerWaalsContact O-CG 3.28Å; T330-N334 PolarHBondContact O-N 3.4Å; L331-N334 PolarHBondContact O-N 2.89Å; N334-Q594 PolarHBondContact ND2-OE1 3.07Å
335	L	87.9	Confident	88.4	Confident	49 Å²	49	73.8 Å²	73.8	26%	0.257	36%	0.356	S	S	.	.	H	α-helix	trans	-99.2	-4.3	-179.8	-64.2	175.4	0	0	0	112.8	L331 F337 L590 V591 Q594	L331-L335 VanDerWaalsContact O-CB 3.3Å; L331-L335 WeakPolarHBondContact O-CB 3.44Å; L331-L335 PolarHBondContact O-N 3.24Å; L335-F337 HydrophobicContact CB-CD1 3.69Å; L335-F337 HydrophobicContact CB-CE1 3.98Å; L335-F337 HydrophobicContact CD1-CD1 4.5Å; L335-F337 HydrophobicContact CD1-CE1 4.15Å; L335-L590 HydrophobicContact CD1-CB 4.49Å; L335-L590 HydrophobicContact CD2-CB 4.5Å; L335-V591 HydrophobicContact CD1-CG2 4.32Å; L335-Q594 HydrophobicContact CD1-CG 4.06Å; L335-Q594 HydrophobicContact CD2-CG 3.66Å; L335-Q594 HydrophobicContact CG-CG 3.84Å
336	N	89.3	Confident	87.7	Confident	152 Å²	152	76.5 Å²	76.5	81%	0.813	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	51	178.7	-164.5	36	0	0	0	113.6	S332	S332-N336 WeakPolarHBondContact O-CA 2.98Å; S332-N336 PolarHBondContact O-N 2.79Å
337	F	89.3	Confident	87	Confident	47 Å²	47	77.4 Å²	77.4	21%	0.206	39%	0.388	C	S	.	.			trans	-117.5	152.2	172.9	70.2	-93.8	0	0	0	111.4	L328 L331 S332 L335 Y339	L328-F337 HydrophobicContact CD1-CE2 4Å; L328-F337 HydrophobicContact CD1-CZ 3.93Å; L331-F337 HydrophobicContact CB-CE1 4.01Å; L331-F337 HydrophobicContact CB-CZ 4.04Å; L331-F337 WeakPolarHBondContact O-CE1 3.41Å; S332-F337 VanDerWaalsContact CA-CE1 3.43Å; S332-F337 WeakPolarHBondContact CB-O 3.16Å; S332-F337 PolarHBondContact O-N 2.93Å; S332-F337 PolarHBondContact OG-O 3.04Å; L335-F337 HydrophobicContact CB-CD1 3.69Å; L335-F337 HydrophobicContact CB-CE1 3.98Å; L335-F337 HydrophobicContact CD1-CD1 4.5Å; L335-F337 HydrophobicContact CD1-CE1 4.15Å; F337-Y339 HydrophobicContact CE2-CD1 4.06Å; F337-Y339 HydrophobicContact CE2-CG 4.49Å
338	T	90.4	Very high	86.6	Confident	141 Å²	141	81.1 Å²	81.1	87%	0.865	41%	0.405	S	S	*	.			trans	-98.2	151	169.8	54.1	0	0	0	0	110
339	Y	89.8	Confident	86.1	Confident	88 Å²	88	85 Å²	85	35%	0.345	42%	0.42	S	S	.	.			trans	-136.5	157.9	-178.1	62.4	-96.7	0	0	0	111.4	L328 E329 F337 I341	L328-Y339 HydrophobicContact CD2-CD1 3.91Å; L328-Y339 HydrophobicContact CD2-CD2 3.46Å; L328-Y339 VanDerWaalsContact CD2-CD2 3.46Å; L328-Y339 HydrophobicContact CD2-CE1 3.95Å; L328-Y339 HydrophobicContact CD2-CE2 3.53Å; L328-Y339 HydrophobicContact CD2-CG 3.65Å; L328-Y339 HydrophobicContact CG-CD1 4.03Å; L328-Y339 HydrophobicContact CG-CD2 4.44Å; L328-Y339 HydrophobicContact CG-CE1 4.06Å; L328-Y339 HydrophobicContact CG-CG 4.21Å; E329-Y339 PolarHBondContact OE2-OH 2.97Å; F337-Y339 HydrophobicContact CE2-CD1 4.06Å; F337-Y339 HydrophobicContact CE2-CG 4.49Å; Y339-I341 HydrophobicContact CD2-CD1 3.95Å; Y339-I341 HydrophobicContact CD2-CG1 3.56Å; Y339-I341 HydrophobicContact CE2-CD1 3.57Å; Y339-I341 HydrophobicContact CE2-CG1 3.69Å
340	E	88.6	Confident	85.5	Confident	176 Å²	176	82.2 Å²	82.2	82%	0.822	41%	0.408	S	S	*	.			trans	-122.5	138	167.2	-176.8	171.3	-173.6	0	0	107.7
341	I	87.1	Confident	84.8	Confident	44 Å²	44	86.2 Å²	86.2	23%	0.226	42%	0.42	C	S	.	.			trans	-116.8	128.3	-179.3	-51.6	-177.3	0	0	0	108.4	Y320 I325 L328 Y339	Y320-I341 HydrophobicContact CD1-CG2 4.43Å; Y320-I341 HydrophobicContact CD2-CB 3.94Å; Y320-I341 HydrophobicContact CD2-CG2 3.8Å; Y320-I341 HydrophobicContact CE2-CB 4.15Å; Y320-I341 HydrophobicContact CE2-CG2 3.93Å; Y320-I341 WeakPolarHBondContact CE2-O 3.46Å; Y320-I341 HydrophobicContact CG-CG2 4.07Å; I325-I341 HydrophobicContact CD1-CD1 3.71Å; L328-I341 HydrophobicContact CD2-CD1 3.65Å; L328-I341 HydrophobicContact CD2-CG1 4.08Å; Y339-I341 HydrophobicContact CD2-CD1 3.95Å; Y339-I341 HydrophobicContact CD2-CG1 3.56Å; Y339-I341 HydrophobicContact CE2-CD1 3.57Å; Y339-I341 HydrophobicContact CE2-CG1 3.69Å
342	Y	86.8	Confident	84.1	Confident	107 Å²	107	90.8 Å²	90.8	42%	0.42	44%	0.44	S	S	.	.			trans	-134.8	161.8	169.2	65.2	-89.1	0	0	0	109.5	E364 D369 A370	Y342-E364 WeakPolarHBondContact CE2-OE2 3.49Å; Y342-E364 VanDerWaalsContact CZ-OE2 3.25Å; Y342-E364 PolarHBondContact OH-OE2 3.44Å; Y342-D369 PolarHBondContact OH-O 3.49Å; Y342-A370 WeakPolarHBondContact OH-CB 2.97Å
343	E	83.4	Confident	83.2	Confident	110 Å²	110	93.5 Å²	93.5	51%	0.514	45%	0.453	S	S	.	.			trans	-94.2	135.6	177.8	-173.8	174.3	-172.5	0	0	109.1	R310	R310-E343 IonicContact CZ-OE2 2.88Å; R310-E343 IonicContact NH1-OE2 3.92Å; R310-E343 PolarHBondContact NH1-OE2 2.91Å
344	V	84.8	Confident	82.2	Confident	15 Å²	15	90.6 Å²	90.6	9%	0.091	47%	0.467	C	S	.	.			trans	-63.5	135	177.4	177.2	0	0	0	0	109.8	D346 G347 L361 E364	V344-D346 VanDerWaalsContact C-N 3.27Å; V344-D346 WeakPolarHBondContact CG1-OD1 3.36Å; V344-D346 PolarHBondContact O-N 3.19Å; V344-G347 PolarHBondContact O-N 3.23Å; V344-L361 HydrophobicContact CG2-CD2 3.39Å; V344-L361 HydrophobicContact CG2-CG 3.87Å; V344-E364 WeakPolarHBondContact CG1-OE1 3.46Å
345	E	78.9	Confident	81.4	Confident	198 Å²	198	93.4 Å²	93.4	93%	0.925	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-34.4	-171.4	-64.6	-170.1	162.4	0	0	114.3
346	D	76.1	Confident	80.4	Confident	71 Å²	71	92.7 Å²	92.7	38%	0.38	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.2	-179.2	70.4	3.9	0	0	0	114	V344 E348 N359 G360	V344-D346 VanDerWaalsContact C-N 3.27Å; V344-D346 WeakPolarHBondContact CG1-OD1 3.36Å; V344-D346 PolarHBondContact O-N 3.19Å; D346-E348 HydrophobicContact CB-CG 4.48Å; D346-E348 PolarHBondContact O-N 3.29Å; D346-E348 WeakPolarHBondContact OD1-CB 3.32Å; D346-E348 PolarHBondContact OD1-N 3.29Å; D346-N359 VanDerWaalsContact OD2-CB 3.23Å; D346-N359 WeakPolarHBondContact OD2-CB 3.35Å; D346-N359 VanDerWaalsContact OD2-CG 3.27Å; D346-N359 PolarHBondContact OD2-ND2 3.34Å; D346-G360 VanDerWaalsContact OD1-CA 3.3Å; D346-G360 WeakPolarHBondContact OD1-CA 3.06Å; D346-G360 PolarHBondContact OD2-N 2.57Å
347	G	74.3	Confident	79.9	Confident	53 Å²	53	94.5 Å²	94.5	55%	0.546	48%	0.48	S	S	.	.			trans	66.1	11.5	-177.7	0	0	0	0	0	115.1	V344	V344-G347 PolarHBondContact O-N 3.23Å
348	E	81.4	Confident	79.4	Confident	78 Å²	78	93.3 Å²	93.3	36%	0.364	48%	0.475	S	S	.	.			trans	-96.3	154.2	-174.1	-68.7	-72	178.6	0	0	112.3	D346 G360 L361	D346-E348 HydrophobicContact CB-CG 4.48Å; D346-E348 PolarHBondContact O-N 3.29Å; D346-E348 WeakPolarHBondContact OD1-CB 3.32Å; D346-E348 PolarHBondContact OD1-N 3.29Å; E348-G360 CarbonylContact O-C 3.46Å; E348-G360 WeakPolarHBondContact O-CA 3.41Å; E348-L361 PolarHBondContact O-N 3.43Å
349	Y	80.7	Confident	79.2	Confident	85 Å²	85	89 Å²	89	33%	0.333	45%	0.447	S	S	.	.	S	Bend	trans	-80	-27.4	177.5	-68.1	-89.5	0	0	0	112.8	L361 A362 A375 S376 F377 R383	Y349-L361 HydrophobicContact CD1-CD1 4.11Å; Y349-A362 PolarHBondContact O-N 2.88Å; Y349-A375 HydrophobicContact CD1-CB 4.14Å; Y349-A375 HydrophobicContact CE1-CB 3.53Å; Y349-S376 PolarHBondContact OH-OG 3.27Å; Y349-F377 AromaticContact CD1-CD2 3.82Å; Y349-F377 HydrophobicContact CD1-CD2 3.82Å; Y349-F377 HydrophobicContact CG-CD2 4.43Å; Y349-F377 WeakPolarHBondContact O-CE2 3.12Å; Y349-R383 VanDerWaalsContact CB-NH2 3.33Å
350	G	78.3	Confident	79.1	Confident	3 Å²	3	85 Å²	85	3%	0.031	43%	0.433	C	S	.	.			trans	129.5	106.3	-179.9	0	0	0	0	0	112.3	N359 R383	G350-N359 WeakPolarHBondContact CA-O 3.21Å; G350-R383 PolarHBondContact O-NE 3.28Å; G350-R383 VanDerWaalsContact O-NE 3.1Å; G350-R383 PolarHBondContact O-NH2 3.12Å; G350-R383 VanDerWaalsContact O-NH2 3.1Å
351	R	75.1	Confident	79.1	Confident	110 Å²	110	78.1 Å²	78.1	42%	0.415	40%	0.402	S	S	.	.			trans	-118.6	131.8	-179.6	171.7	-177.2	-171.1	169	19.1	108.6	N353 M358 N359 D464	R351-N353 PolarHBondContact O-N 2.6Å; R351-M358 WeakPolarHBondContact O-CA 3.3Å; R351-N359 WeakPolarHBondContact CA-OD1 3.49Å; R351-N359 WeakPolarHBondContact CB-OD1 3.21Å; R351-N359 PolarHBondContact N-OD1 2.87Å; R351-N359 PolarHBondContact O-N 3.33Å; R351-N359 PolarHBondContact O-OD1 2.9Å; R351-D464 IonicContact CZ-OD1 3.31Å; R351-D464 IonicContact CZ-OD2 2.72Å; R351-D464 IonicContact NE-OD1 2.67Å; R351-D464 PolarHBondContact NE-OD1 2.88Å; R351-D464 IonicContact NE-OD2 3.52Å; R351-D464 IonicContact NH1-OD1 3.23Å; R351-D464 IonicContact NH1-OD2 2.66Å; R351-D464 PolarHBondContact NH1-OD2 2.94Å; R351-D464 IonicContact NH2-OD1 2.96Å; R351-D464 PolarHBondContact NH2-OD1 3.38Å; R351-D464 IonicContact NH2-OD2 2.85Å; R351-D464 PolarHBondContact NH2-OD2 3.18Å
352	K	73.6	Confident	79.1	Confident	99 Å²	99	76 Å²	76	43%	0.43	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-79.6	120.2	173.8	-163.1	170.9	-178.5	175.3	0	109.9	G356 R357 M358	K352-G356 VanDerWaalsContact CE-CA 3.42Å; K352-G356 WeakPolarHBondContact CE-O 3.31Å; K352-R357 WeakPolarHBondContact CA-O 3.34Å; K352-M358 HydrophobicContact CB-CG 4.04Å; K352-M358 HydrophobicContact CG-CG 4.31Å
353	N	72.8	Confident	79.1	Confident	74 Å²	74	71.5 Å²	71.5	40%	0.396	38%	0.375	S	S	.	.			trans	-75.7	170.2	173.2	65.5	22.5	0	0	0	111.2	R351 I355 G356 R357	R351-N353 PolarHBondContact O-N 2.6Å; N353-I355 PolarHBondContact O-N 3.33Å; N353-I355 PolarHBondContact OD1-N 2.91Å; N353-G356 PolarHBondContact O-N 3.03Å; N353-G356 PolarHBondContact OD1-N 2.54Å; N353-G356 VanDerWaalsContact OD1-N 3.13Å; N353-R357 PolarHBondContact N-O 3.24Å; N353-R357 PolarHBondContact OD1-N 3.14Å; N353-R357 PolarHBondContact OD1-O 2.91Å; N353-R357 VanDerWaalsContact OD1-O 3.09Å
354	A	69.8	Low	79.5	Confident	116 Å²	116	67.7 Å²	67.7	96%	0.959	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.2	-179.2	0	0	0	0	0	114.2	G356	A354-G356 VanDerWaalsContact C-N 3.33Å
355	I	70.7	Confident	79.7	Confident	146 Å²	146	67 Å²	67	75%	0.749	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.5	179.7	-52.3	169.5	0	0	0	110.8	N353	N353-I355 PolarHBondContact O-N 3.33Å; N353-I355 PolarHBondContact OD1-N 2.91Å
356	G	68.4	Low	80.1	Confident	34 Å²	34	62.5 Å²	62.5	35%	0.351	33%	0.331	S	S	.	.	S	Bend	trans	90.8	4.2	178.7	0	0	0	0	0	115.1	K352 N353 A354	K352-G356 VanDerWaalsContact CE-CA 3.42Å; K352-G356 WeakPolarHBondContact CE-O 3.31Å; N353-G356 PolarHBondContact O-N 3.03Å; N353-G356 PolarHBondContact OD1-N 2.54Å; N353-G356 VanDerWaalsContact OD1-N 3.13Å; A354-G356 VanDerWaalsContact C-N 3.33Å
357	R	77.9	Confident	80.6	Confident	189 Å²	189	64.2 Å²	64.2	71%	0.713	34%	0.34	S	S	*	.			trans	-84.2	139.2	172.7	-70.7	-176.9	175.4	168.6	-2.2	110.1	K352 N353	K352-R357 WeakPolarHBondContact CA-O 3.34Å; N353-R357 PolarHBondContact N-O 3.24Å; N353-R357 PolarHBondContact OD1-N 3.14Å; N353-R357 PolarHBondContact OD1-O 2.91Å; N353-R357 VanDerWaalsContact OD1-O 3.09Å
358	M	79.2	Confident	81	Confident	22 Å²	22	63.1 Å²	63.1	11%	0.108	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-89.2	153.2	169.8	-74.7	177.6	71.3	0	0	110.4	R351 K352 A362 A363 E382 R383 L386	R351-M358 WeakPolarHBondContact O-CA 3.3Å; K352-M358 HydrophobicContact CB-CG 4.04Å; K352-M358 HydrophobicContact CG-CG 4.31Å; M358-A362 HydrophobicContact CE-CB 3.33Å; M358-A363 HydrophobicContact CB-CB 4.43Å; M358-A363 WeakPolarHBondContact O-CB 3.12Å; M358-E382 VanDerWaalsContact SD-O 3.37Å; M358-R383 HydrophobicContact CE-CB 4.19Å; M358-R383 HydrophobicContact CE-CG 3.42Å; M358-R383 VanDerWaalsContact CE-CG 3.42Å; M358-L386 HydrophobicContact CB-CD1 4.18Å; M358-L386 HydrophobicContact CG-CD1 3.9Å; M358-L386 HydrophobicContact SD-CD1 3.29Å; M358-L386 WeakPolarHBondContact SD-CD1 3.25Å; M358-L386 HydrophobicContact SD-CG 4Å
359	N	85.3	Confident	81.3	Confident	51 Å²	51	64.3 Å²	64.3	27%	0.273	34%	0.338	S	S	.	.			trans	-112.2	-166.2	167.9	74.3	-31.8	0	0	0	110.3	D346 G350 R351 A363	D346-N359 VanDerWaalsContact OD2-CB 3.23Å; D346-N359 WeakPolarHBondContact OD2-CB 3.35Å; D346-N359 VanDerWaalsContact OD2-CG 3.27Å; D346-N359 PolarHBondContact OD2-ND2 3.34Å; G350-N359 WeakPolarHBondContact CA-O 3.21Å; R351-N359 WeakPolarHBondContact CA-OD1 3.49Å; R351-N359 WeakPolarHBondContact CB-OD1 3.21Å; R351-N359 PolarHBondContact N-OD1 2.87Å; R351-N359 PolarHBondContact O-N 3.33Å; R351-N359 PolarHBondContact O-OD1 2.9Å; N359-A363 VanDerWaalsContact CA-CB 3.49Å; N359-A363 VanDerWaalsContact O-CB 3.27Å; N359-A363 WeakPolarHBondContact O-CB 3.41Å; N359-A363 PolarHBondContact O-N 3.21Å
360	G	87.5	Confident	81.8	Confident	4 Å²	4	60.9 Å²	60.9	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	65	-164.2	172.8	0	0	0	0	0	116.4	D346 E348 A362 A363 E364	D346-G360 VanDerWaalsContact OD1-CA 3.3Å; D346-G360 WeakPolarHBondContact OD1-CA 3.06Å; D346-G360 PolarHBondContact OD2-N 2.57Å; E348-G360 CarbonylContact O-C 3.46Å; E348-G360 WeakPolarHBondContact O-CA 3.41Å; G360-A362 PolarHBondContact O-N 3.48Å; G360-A362 VanDerWaalsContact O-N 3.17Å; G360-A363 WeakPolarHBondContact O-CB 3.34Å; G360-A363 PolarHBondContact O-N 3.15Å; G360-E364 PolarHBondContact O-N 3.36Å
361	L	88.7	Confident	82.2	Confident	32 Å²	32	65.6 Å²	65.6	17%	0.168	35%	0.352	C	S	.	.	H	α-helix	trans	-50.2	-41.3	177.9	-72.1	166.5	0	0	0	113.1	V344 E348 Y349 A363 L365 A373 A375	V344-L361 HydrophobicContact CG2-CD2 3.39Å; V344-L361 HydrophobicContact CG2-CG 3.87Å; E348-L361 PolarHBondContact O-N 3.43Å; Y349-L361 HydrophobicContact CD1-CD1 4.11Å; L361-A363 PolarHBondContact O-N 3.01Å; L361-L365 WeakPolarHBondContact O-CB 3.44Å; L361-L365 WeakPolarHBondContact O-CG 3.36Å; L361-L365 PolarHBondContact O-N 3.4Å; L361-L365 VanDerWaalsContact O-N 3.11Å; L361-A373 HydrophobicContact CB-CB 4.1Å; L361-A373 HydrophobicContact CD2-CB 3.97Å; L361-A373 HydrophobicContact CG-CB 4.44Å; L361-A375 HydrophobicContact CD1-CB 3.77Å
362	A	86.6	Confident	83	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.1	-35.9	179.3	0	0	0	0	0	113	Y349 M358 G360 F366 F377 R383 V387	Y349-A362 PolarHBondContact O-N 2.88Å; M358-A362 HydrophobicContact CE-CB 3.33Å; G360-A362 PolarHBondContact O-N 3.48Å; G360-A362 VanDerWaalsContact O-N 3.17Å; A362-F366 VanDerWaalsContact O-CB 3.3Å; A362-F366 WeakPolarHBondContact O-CB 3.35Å; A362-F366 PolarHBondContact O-N 3.1Å; A362-F377 HydrophobicContact CB-CZ 4.12Å; A362-R383 HydrophobicContact CB-CG 4.21Å; A362-V387 WeakPolarHBondContact O-CG1 3.45Å
363	A	88.2	Confident	83.8	Confident	11 Å²	11	57.8 Å²	57.8	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-70.4	-42.9	178.8	0	0	0	0	0	112	M358 N359 G360 L361 L365 F366 N367	M358-A363 HydrophobicContact CB-CB 4.43Å; M358-A363 WeakPolarHBondContact O-CB 3.12Å; N359-A363 VanDerWaalsContact CA-CB 3.49Å; N359-A363 VanDerWaalsContact O-CB 3.27Å; N359-A363 WeakPolarHBondContact O-CB 3.41Å; N359-A363 PolarHBondContact O-N 3.21Å; G360-A363 WeakPolarHBondContact O-CB 3.34Å; G360-A363 PolarHBondContact O-N 3.15Å; L361-A363 PolarHBondContact O-N 3.01Å; A363-L365 VanDerWaalsContact C-N 3.35Å; A363-F366 PolarHBondContact O-N 3.07Å; A363-N367 WeakPolarHBondContact O-CB 3.31Å; A363-N367 PolarHBondContact O-N 2.93Å; A363-N367 PolarHBondContact O-ND2 3.11Å
364	E	90.4	Very high	84.5	Confident	30 Å²	30	55.7 Å²	55.7	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-39.4	177.3	-69.7	-163.2	-170.2	0	0	112.2	Y342 V344 G360 G368 D369 A370	Y342-E364 WeakPolarHBondContact CE2-OE2 3.49Å; Y342-E364 VanDerWaalsContact CZ-OE2 3.25Å; Y342-E364 PolarHBondContact OH-OE2 3.44Å; V344-E364 WeakPolarHBondContact CG1-OE1 3.46Å; G360-E364 PolarHBondContact O-N 3.36Å; E364-G368 PolarHBondContact O-N 3.28Å; E364-D369 HydrophobicContact CB-CB 4.11Å; E364-D369 HydrophobicContact CG-CB 4.38Å; E364-D369 PolarHBondContact O-N 3.45Å; E364-A370 HydrophobicContact CB-CB 4.1Å; E364-A370 PolarHBondContact O-N 3.05Å
365	L	89.9	Confident	85.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-43.7	172	-79	-179.7	0	0	0	112.1	L361 A363 G368 A370 A373 F377 V387 Q582	L361-L365 WeakPolarHBondContact O-CB 3.44Å; L361-L365 WeakPolarHBondContact O-CG 3.36Å; L361-L365 PolarHBondContact O-N 3.4Å; L361-L365 VanDerWaalsContact O-N 3.11Å; A363-L365 VanDerWaalsContact C-N 3.35Å; L365-G368 PolarHBondContact O-N 2.83Å; L365-A370 HydrophobicContact CD2-CB 4.16Å; L365-A373 HydrophobicContact CD1-CB 3.53Å; L365-A373 HydrophobicContact CD2-CB 4.35Å; L365-A373 HydrophobicContact CG-CB 3.99Å; L365-F377 HydrophobicContact CD1-CE1 4.4Å; L365-V387 HydrophobicContact CB-CB 4.33Å; L365-V387 HydrophobicContact CB-CG1 3.52Å; L365-V387 HydrophobicContact CD1-CB 4.15Å; L365-V387 HydrophobicContact CD1-CG1 4.11Å; L365-V387 HydrophobicContact CD1-CG2 4.37Å; L365-Q582 PolarHBondContact O-NE2 3.46Å
366	F	87.1	Confident	85.7	Confident	105 Å²	105	44.9 Å²	44.9	46%	0.461	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-45.1	179.3	175.1	-101.8	0	0	0	112.1	A362 A363 G368 L386 V387	A362-F366 VanDerWaalsContact O-CB 3.3Å; A362-F366 WeakPolarHBondContact O-CB 3.35Å; A362-F366 PolarHBondContact O-N 3.1Å; A363-F366 PolarHBondContact O-N 3.07Å; F366-G368 PolarHBondContact O-N 3.17Å; F366-L386 HydrophobicContact CB-CB 4.34Å; F366-L386 HydrophobicContact CD2-CB 3.75Å; F366-L386 HydrophobicContact CD2-CD1 4.32Å; F366-L386 HydrophobicContact CD2-CD2 4Å; F366-L386 HydrophobicContact CD2-CG 4.24Å; F366-L386 HydrophobicContact CE2-CB 4.44Å; F366-L386 HydrophobicContact CE2-CD2 3.83Å; F366-L386 HydrophobicContact CG-CB 4.25Å; F366-L386 HydrophobicContact CG-CD1 4.3Å; F366-L386 HydrophobicContact CZ-CD2 4.44Å; F366-V387 HydrophobicContact CB-CG1 4.36Å
367	N	85.9	Confident	86.5	Confident	106 Å²	106	43.2 Å²	43.2	57%	0.567	23%	0.225	S	C	*	.	H	α-helix	trans	-67.8	-23.9	176.9	-66.4	-16.9	0	0	0	112.2	A363 D369	A363-N367 WeakPolarHBondContact O-CB 3.31Å; A363-N367 PolarHBondContact O-N 2.93Å; A363-N367 PolarHBondContact O-ND2 3.11Å; N367-D369 WeakPolarHBondContact CB-OD2 3.31Å; N367-D369 PolarHBondContact ND2-OD2 3.06Å
368	G	84.7	Confident	86.7	Confident	31 Å²	31	34.5 Å²	34.5	32%	0.32	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	17.7	-174.6	0	0	0	0	0	114.9	E364 L365 F366 A370	E364-G368 PolarHBondContact O-N 3.28Å; L365-G368 PolarHBondContact O-N 2.83Å; F366-G368 PolarHBondContact O-N 3.17Å; G368-A370 VanDerWaalsContact C-N 3.29Å
369	D	87.2	Confident	86.6	Confident	102 Å²	102	34.3 Å²	34.3	55%	0.545	19%	0.194	S	C	.	.	S	Bend	trans	-67.8	-36.1	169.9	-55.5	-43	0	0	0	110	Y342 E364 N367	Y342-D369 PolarHBondContact OH-O 3.49Å; E364-D369 HydrophobicContact CB-CB 4.11Å; E364-D369 HydrophobicContact CG-CB 4.38Å; E364-D369 PolarHBondContact O-N 3.45Å; N367-D369 WeakPolarHBondContact CB-OD2 3.31Å; N367-D369 PolarHBondContact ND2-OD2 3.06Å
370	A	89.8	Confident	86	Confident	13 Å²	13	33 Å²	33	11%	0.107	19%	0.187	C	C	.	.			trans	-116.4	149.1	173.7	0	0	0	0	0	112	Y342 E364 L365 G368	Y342-A370 WeakPolarHBondContact OH-CB 2.97Å; E364-A370 HydrophobicContact CB-CB 4.1Å; E364-A370 PolarHBondContact O-N 3.05Å; L365-A370 HydrophobicContact CD2-CB 4.16Å; G368-A370 VanDerWaalsContact C-N 3.29Å
371	N	88.6	Confident	85	Confident	103 Å²	103	33 Å²	33	55%	0.551	19%	0.187	S	C	*	.	S	Bend	trans	-99.8	-28.6	173.6	-54.1	120.8	0	0	0	113.5
372	I	90.6	Very high	84.3	Confident	42 Å²	42	33.3 Å²	33.3	22%	0.215	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	131.4	-177.8	-59	-177.9	0	0	0	108.8	L374 I579 G580 V581 L587	I372-L374 HydrophobicContact CG2-CD2 4.2Å; I372-L374 HydrophobicContact CG2-CG 4.25Å; I372-I579 HydrophobicContact CG2-CG2 3.36Å; I372-G580 CarbonylContact C-O 3.58Å; I372-G580 WeakPolarHBondContact CA-O 2.92Å; I372-V581 HydrophobicContact CG1-CG1 4.42Å; I372-L587 HydrophobicContact CG1-CD1 4.43Å
373	A	90.3	Very high	84	Confident	2 Å²	2	34.2 Å²	34.2	2%	0.017	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.2	173.1	0	0	0	0	0	111.3	L361 L365 F377 G580	L361-A373 HydrophobicContact CB-CB 4.1Å; L361-A373 HydrophobicContact CD2-CB 3.97Å; L361-A373 HydrophobicContact CG-CB 4.44Å; L365-A373 HydrophobicContact CD1-CB 3.53Å; L365-A373 HydrophobicContact CD2-CB 4.35Å; L365-A373 HydrophobicContact CG-CB 3.99Å; A373-F377 HydrophobicContact CB-CD1 4.29Å; A373-F377 HydrophobicContact CB-CE1 4.33Å; A373-G580 PolarHBondContact N-O 2.97Å; A373-G580 PolarHBondContact O-N 3.45Å
374	L	87.1	Confident	83.6	Confident	30 Å²	30	37.1 Å²	37.1	16%	0.157	20%	0.203	C	C	.	.			trans	-117.9	109.8	-179.3	-64.1	171.2	0	0	0	110.8	V308 C324 L328 I372 I579	V308-L374 HydrophobicContact CG2-CB 4.34Å; V308-L374 WeakPolarHBondContact CG2-O 3.46Å; C324-L374 HydrophobicContact CB-CB 4.1Å; C324-L374 HydrophobicContact CB-CD2 4.39Å; L328-L374 HydrophobicContact CB-CD1 3.74Å; L328-L374 HydrophobicContact CD1-CD1 3.96Å; L328-L374 HydrophobicContact CD2-CD1 3.52Å; L328-L374 HydrophobicContact CG-CD1 3.9Å; I372-L374 HydrophobicContact CG2-CD2 4.2Å; I372-L374 HydrophobicContact CG2-CG 4.25Å; L374-I579 HydrophobicContact CD2-CD1 3.92Å; L374-I579 HydrophobicContact CD2-CG1 4.1Å; L374-I579 HydrophobicContact CD2-CG2 4.01Å
375	A	84.5	Confident	82.9	Confident	13 Å²	13	37.2 Å²	37.2	11%	0.107	21%	0.209	C	C	.	.	S	Bend	trans	-164.5	-172.7	171.9	0	0	0	0	0	109.9	Y349 L361 F377	Y349-A375 HydrophobicContact CD1-CB 4.14Å; Y349-A375 HydrophobicContact CE1-CB 3.53Å; L361-A375 HydrophobicContact CD1-CB 3.77Å; A375-F377 HydrophobicContact CB-CB 4.42Å; A375-F377 PolarHBondContact O-N 2.88Å
376	S	83	Confident	82.4	Confident	22 Å²	22	39.2 Å²	39.2	15%	0.154	22%	0.219	C	C	.	.	S	Bend	trans	-70.3	56.4	161.1	46.7	0	0	0	0	111.1	Y349 V378 Y577	Y349-S376 PolarHBondContact OH-OG 3.27Å; S376-V378 PolarHBondContact O-N 3.32Å; S376-Y577 WeakPolarHBondContact O-CE1 3.49Å
377	F	84	Confident	82.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.			trans	-86.2	108.7	-168.5	-163.6	-152	0	0	0	109.6	Y349 A362 L365 A373 A375 R383 F389 A578	Y349-F377 AromaticContact CD1-CD2 3.82Å; Y349-F377 HydrophobicContact CD1-CD2 3.82Å; Y349-F377 HydrophobicContact CG-CD2 4.43Å; Y349-F377 WeakPolarHBondContact O-CE2 3.12Å; A362-F377 HydrophobicContact CB-CZ 4.12Å; L365-F377 HydrophobicContact CD1-CE1 4.4Å; A373-F377 HydrophobicContact CB-CD1 4.29Å; A373-F377 HydrophobicContact CB-CE1 4.33Å; A375-F377 HydrophobicContact CB-CB 4.42Å; A375-F377 PolarHBondContact O-N 2.88Å; F377-R383 VanDerWaalsContact CE2-CD 3.44Å; F377-R383 HydrophobicContact CE2-CG 4.38Å; F377-R383 HydrophobicContact CZ-CG 4.34Å; F377-F389 HydrophobicContact CD1-CD1 4.29Å; F377-F389 AromaticContact CD1-CE1 3.34Å; F377-F389 HydrophobicContact CD1-CE1 3.34Å; F377-F389 AromaticContact CD1-CZ 3.97Å; F377-F389 HydrophobicContact CD1-CZ 3.97Å; F377-F389 HydrophobicContact CE1-CD1 4.45Å; F377-F389 AromaticContact CE1-CE1 3.36Å; F377-F389 HydrophobicContact CE1-CE1 3.36Å; F377-F389 AromaticContact CE1-CZ 3.51Å; F377-F389 HydrophobicContact CE1-CZ 3.51Å; F377-F389 HydrophobicContact CE2-CZ 4.42Å; F377-F389 AromaticContact CG-CE1 3.96Å; F377-F389 HydrophobicContact CG-CE1 3.96Å; F377-F389 HydrophobicContact CZ-CE1 4.02Å; F377-F389 AromaticContact CZ-CZ 3.76Å; F377-F389 HydrophobicContact CZ-CZ 3.76Å; F377-A578 PolarHBondContact O-N 3.48Å
378	V	81.3	Confident	82.3	Confident	6 Å²	6	31.9 Å²	31.9	4%	0.036	19%	0.185	C	C	.	.			trans	-83.6	126	175.5	-177.1	0	0	0	0	108.3	S376 T380 R383 F573 Y577	S376-V378 PolarHBondContact O-N 3.32Å; V378-T380 PolarHBondContact O-N 2.85Å; V378-T380 VanDerWaalsContact O-N 3.16Å; V378-R383 PolarHBondContact O-NH1 2.68Å; V378-R383 VanDerWaalsContact O-NH1 3.12Å; V378-F573 HydrophobicContact CG1-CZ 4.4Å; V378-Y577 HydrophobicContact CG2-CD1 3.68Å; V378-Y577 HydrophobicContact CG2-CE1 3.43Å; V378-Y577 VanDerWaalsContact CG2-CE1 3.43Å
379	P	77.5	Confident	82.3	Confident	18 Å²	18	32 Å²	32	12%	0.117	18%	0.177	C	C	.	.			trans	-64.8	113.8	169.6	26.4	-30.1	0	0	0	108.4	E384 F389 H576 F1181	P379-E384 HydrophobicContact CB-CG 4.12Å; P379-E384 WeakPolarHBondContact CB-OE1 3.42Å; P379-F389 HydrophobicContact CB-CB 4.42Å; P379-F389 HydrophobicContact CB-CD1 3.92Å; P379-F389 HydrophobicContact CB-CD2 3.82Å; P379-F389 HydrophobicContact CB-CE1 4.01Å; P379-F389 HydrophobicContact CB-CE2 3.94Å; P379-F389 HydrophobicContact CB-CG 3.79Å; P379-F389 HydrophobicContact CB-CZ 4.05Å; P379-H576 WeakPolarHBondContact CD-O 3.27Å; P379-F1181 VanDerWaalsContact O-CE2 3.25Å; P379-F1181 WeakPolarHBondContact O-CE2 3.38Å; P379-F1181 WeakPolarHBondContact O-CZ 3.44Å
380	T	72.8	Confident	82.2	Confident	23 Å²	23	27.5 Å²	27.5	14%	0.141	15%	0.153	C	C	.	.			trans	-110.3	152.7	170.5	67.3	0	0	0	0	108.7	V378 E382 R383 E384 F1181	V378-T380 PolarHBondContact O-N 2.85Å; V378-T380 VanDerWaalsContact O-N 3.16Å; T380-E382 VanDerWaalsContact C-N 3.27Å; T380-E382 PolarHBondContact O-N 2.83Å; T380-R383 CarbonylContact O-C 3.55Å; T380-R383 WeakPolarHBondContact O-CA 3.5Å; T380-R383 WeakPolarHBondContact O-CB 3.42Å; T380-R383 PolarHBondContact O-N 3Å; T380-R383 WeakPolarHBondContact OG1-CD 3.15Å; T380-R383 VanDerWaalsContact OG1-CG 3.32Å; T380-R383 WeakPolarHBondContact OG1-CG 3.43Å; T380-E384 PolarHBondContact O-N 3.05Å; T380-F1181 VanDerWaalsContact CA-CZ 3.5Å
381	A	67.6	Low	81.8	Confident	5 Å²	5	28 Å²	28	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-36.8	-177.1	0	0	0	0	0	114.2	R383 E384 A385 V1177 D1178 F1181	A381-R383 PolarHBondContact O-N 2.99Å; A381-E384 PolarHBondContact O-N 2.97Å; A381-A385 WeakPolarHBondContact O-CB 3.27Å; A381-A385 PolarHBondContact O-N 2.88Å; A381-V1177 HydrophobicContact CB-CG1 4.27Å; A381-D1178 HydrophobicContact CB-CB 4.26Å; A381-F1181 HydrophobicContact CB-CB 3.77Å; A381-F1181 HydrophobicContact CB-CD1 4.28Å; A381-F1181 HydrophobicContact CB-CD2 3.92Å; A381-F1181 HydrophobicContact CB-CG 3.76Å
382	E	72.2	Confident	81.3	Confident	38 Å²	38	25 Å²	25	18%	0.178	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-35	174.2	-66.6	-171.5	162.4	0	0	112.1	M358 T380 R473	M358-E382 VanDerWaalsContact SD-O 3.37Å; T380-E382 VanDerWaalsContact C-N 3.27Å; T380-E382 PolarHBondContact O-N 2.83Å; E382-R473 IonicContact OE1-CZ 2.6Å; E382-R473 IonicContact OE1-NH2 2.68Å; E382-R473 PolarHBondContact OE1-NH2 2.93Å
383	R	82.3	Confident	80.8	Confident	19 Å²	19	23.2 Å²	23.2	7%	0.072	13%	0.132	C	C	.	.	H	α-helix	trans	-77.9	-47.9	177.1	-65.6	164.3	-177.9	174	3.7	110.9	Y349 G350 M358 A362 F377 V378 T380 A381 A385 L386 V387 F389	Y349-R383 VanDerWaalsContact CB-NH2 3.33Å; G350-R383 PolarHBondContact O-NE 3.28Å; G350-R383 VanDerWaalsContact O-NE 3.1Å; G350-R383 PolarHBondContact O-NH2 3.12Å; G350-R383 VanDerWaalsContact O-NH2 3.1Å; M358-R383 HydrophobicContact CE-CB 4.19Å; M358-R383 HydrophobicContact CE-CG 3.42Å; M358-R383 VanDerWaalsContact CE-CG 3.42Å; A362-R383 HydrophobicContact CB-CG 4.21Å; F377-R383 VanDerWaalsContact CE2-CD 3.44Å; F377-R383 HydrophobicContact CE2-CG 4.38Å; F377-R383 HydrophobicContact CZ-CG 4.34Å; V378-R383 PolarHBondContact O-NH1 2.68Å; V378-R383 VanDerWaalsContact O-NH1 3.12Å; T380-R383 CarbonylContact O-C 3.55Å; T380-R383 WeakPolarHBondContact O-CA 3.5Å; T380-R383 WeakPolarHBondContact O-CB 3.42Å; T380-R383 PolarHBondContact O-N 3Å; T380-R383 WeakPolarHBondContact OG1-CD 3.15Å; T380-R383 VanDerWaalsContact OG1-CG 3.32Å; T380-R383 WeakPolarHBondContact OG1-CG 3.43Å; A381-R383 PolarHBondContact O-N 2.99Å; R383-A385 PolarHBondContact O-N 2.76Å; R383-A385 VanDerWaalsContact O-N 3.17Å; R383-L386 PolarHBondContact O-N 2.73Å; R383-V387 HydrophobicContact CB-CG2 4.27Å; R383-V387 VanDerWaalsContact O-CG2 3.27Å; R383-V387 WeakPolarHBondContact O-CG2 3.27Å; R383-V387 PolarHBondContact O-N 2.76Å; R383-F389 HydrophobicContact CB-CE2 3.89Å; R383-F389 HydrophobicContact CB-CZ 3.85Å
384	E	77.9	Confident	79.9	Confident	72 Å²	72	23.7 Å²	23.7	34%	0.336	13%	0.134	S	C	.	.	H	α-helix	trans	-59.2	-27.1	178.2	-73.5	-176.7	157.6	0	0	112.8	P379 T380 A381 L386 V387 F389 V1177	P379-E384 HydrophobicContact CB-CG 4.12Å; P379-E384 WeakPolarHBondContact CB-OE1 3.42Å; T380-E384 PolarHBondContact O-N 3.05Å; A381-E384 PolarHBondContact O-N 2.97Å; E384-L386 PolarHBondContact O-N 2.93Å; E384-V387 WeakPolarHBondContact CA-O 3.07Å; E384-F389 HydrophobicContact CG-CD2 3.67Å; E384-F389 HydrophobicContact CG-CE2 3.78Å; E384-V1177 HydrophobicContact CB-CG1 4.45Å
385	A	76.7	Confident	78.7	Confident	32 Å²	32	28.6 Å²	28.6	26%	0.264	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-25	173.5	0	0	0	0	0	113.5	A381 R383 Q583	A381-A385 WeakPolarHBondContact O-CB 3.27Å; A381-A385 PolarHBondContact O-N 2.88Å; R383-A385 PolarHBondContact O-N 2.76Å; R383-A385 VanDerWaalsContact O-N 3.17Å; A385-Q583 PolarHBondContact O-NE2 3.42Å
386	L	79.4	Confident	77.4	Confident	42 Å²	42	28.3 Å²	28.3	22%	0.22	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-27	-176.2	-61.3	-168.9	0	0	0	114.1	M358 F366 R383 E384 Q583	M358-L386 HydrophobicContact CB-CD1 4.18Å; M358-L386 HydrophobicContact CG-CD1 3.9Å; M358-L386 HydrophobicContact SD-CD1 3.29Å; M358-L386 WeakPolarHBondContact SD-CD1 3.25Å; M358-L386 HydrophobicContact SD-CG 4Å; F366-L386 HydrophobicContact CB-CB 4.34Å; F366-L386 HydrophobicContact CD2-CB 3.75Å; F366-L386 HydrophobicContact CD2-CD1 4.32Å; F366-L386 HydrophobicContact CD2-CD2 4Å; F366-L386 HydrophobicContact CD2-CG 4.24Å; F366-L386 HydrophobicContact CE2-CB 4.44Å; F366-L386 HydrophobicContact CE2-CD2 3.83Å; F366-L386 HydrophobicContact CG-CB 4.25Å; F366-L386 HydrophobicContact CG-CD1 4.3Å; F366-L386 HydrophobicContact CZ-CD2 4.44Å; R383-L386 PolarHBondContact O-N 2.73Å; E384-L386 PolarHBondContact O-N 2.93Å; L386-Q583 WeakPolarHBondContact O-CB 3.44Å
387	V	85.2	Confident	76.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.2	-175.5	-56	0	0	0	0	110.3	A362 L365 F366 R383 E384 F389	A362-V387 WeakPolarHBondContact O-CG1 3.45Å; L365-V387 HydrophobicContact CB-CB 4.33Å; L365-V387 HydrophobicContact CB-CG1 3.52Å; L365-V387 HydrophobicContact CD1-CB 4.15Å; L365-V387 HydrophobicContact CD1-CG1 4.11Å; L365-V387 HydrophobicContact CD1-CG2 4.37Å; F366-V387 HydrophobicContact CB-CG1 4.36Å; R383-V387 HydrophobicContact CB-CG2 4.27Å; R383-V387 VanDerWaalsContact O-CG2 3.27Å; R383-V387 WeakPolarHBondContact O-CG2 3.27Å; R383-V387 PolarHBondContact O-N 2.76Å; E384-V387 WeakPolarHBondContact CA-O 3.07Å; V387-F389 HydrophobicContact CG2-CD2 4.4Å; V387-F389 HydrophobicContact CG2-CE2 3.66Å; V387-F389 HydrophobicContact CG2-CZ 3.94Å
388	D	85	Confident	75.4	Confident	57 Å²	57	30.3 Å²	30.3	31%	0.305	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	150.9	176.1	-76.5	-17.6	0	0	0	110.1	V581 Q583 G584	D388-V581 HydrophobicContact CB-CG2 3.84Å; D388-V581 PolarHBondContact N-O 3.44Å; D388-V581 WeakPolarHBondContact O-CG2 3.24Å; D388-V581 PolarHBondContact O-N 2.77Å; D388-Q583 WeakPolarHBondContact OD2-CA 3.34Å; D388-G584 PolarHBondContact OD2-N 3.16Å
389	F	85.6	Confident	75.1	Confident	34 Å²	34	30 Å²	30	15%	0.149	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.3	176.7	-72.3	-94.9	0	0	0	110.7	F377 P379 R383 E384 V387 A578	F377-F389 HydrophobicContact CD1-CD1 4.29Å; F377-F389 AromaticContact CD1-CE1 3.34Å; F377-F389 HydrophobicContact CD1-CE1 3.34Å; F377-F389 AromaticContact CD1-CZ 3.97Å; F377-F389 HydrophobicContact CD1-CZ 3.97Å; F377-F389 HydrophobicContact CE1-CD1 4.45Å; F377-F389 AromaticContact CE1-CE1 3.36Å; F377-F389 HydrophobicContact CE1-CE1 3.36Å; F377-F389 AromaticContact CE1-CZ 3.51Å; F377-F389 HydrophobicContact CE1-CZ 3.51Å; F377-F389 HydrophobicContact CE2-CZ 4.42Å; F377-F389 AromaticContact CG-CE1 3.96Å; F377-F389 HydrophobicContact CG-CE1 3.96Å; F377-F389 HydrophobicContact CZ-CE1 4.02Å; F377-F389 AromaticContact CZ-CZ 3.76Å; F377-F389 HydrophobicContact CZ-CZ 3.76Å; P379-F389 HydrophobicContact CB-CB 4.42Å; P379-F389 HydrophobicContact CB-CD1 3.92Å; P379-F389 HydrophobicContact CB-CD2 3.82Å; P379-F389 HydrophobicContact CB-CE1 4.01Å; P379-F389 HydrophobicContact CB-CE2 3.94Å; P379-F389 HydrophobicContact CB-CG 3.79Å; P379-F389 HydrophobicContact CB-CZ 4.05Å; R383-F389 HydrophobicContact CB-CE2 3.89Å; R383-F389 HydrophobicContact CB-CZ 3.85Å; E384-F389 HydrophobicContact CG-CD2 3.67Å; E384-F389 HydrophobicContact CG-CE2 3.78Å; V387-F389 HydrophobicContact CG2-CD2 4.4Å; V387-F389 HydrophobicContact CG2-CE2 3.66Å; V387-F389 HydrophobicContact CG2-CZ 3.94Å; F389-A578 HydrophobicContact CB-CB 4.03Å; F389-A578 HydrophobicContact CD1-CB 3.84Å; F389-A578 HydrophobicContact CG-CB 4.38Å
390	S	84.9	Confident	75.2	Confident	7 Å²	7	29.1 Å²	29.1	5%	0.049	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-70.9	168.5	167.1	59.2	0	0	0	0	111.8	A578 I579 S592	S390-A578 VanDerWaalsContact O-CB 3.32Å; S390-A578 WeakPolarHBondContact O-CB 3.42Å; S390-I579 PolarHBondContact N-O 2.85Å; S390-I579 WeakPolarHBondContact OG-CA 2.82Å; S390-I579 VanDerWaalsContact OG-CB 3.27Å; S390-I579 WeakPolarHBondContact OG-CB 3.24Å; S390-I579 PolarHBondContact OG-N 2.98Å; S390-I579 PolarHBondContact OG-O 3.42Å; S390-S592 WeakPolarHBondContact CA-OG 3.35Å
391	C	82.2	Confident	75.7	Confident	24 Å²	24	28.1 Å²	28.1	16%	0.162	15%	0.151	C	C	.	.	S	Bend	trans	-59.3	151.1	168.7	77.8	0	0	0	0	110.6	F393 S592 I595 L596	C391-F393 PolarHBondContact O-N 2.71Å; C391-S592 PolarHBondContact N-OG 3.31Å; C391-S592 VanDerWaalsContact SG-CA 3.56Å; C391-S592 PolarHBondContact SG-O 3.11Å; C391-I595 VanDerWaalsContact SG-CB 3.56Å; C391-I595 WeakPolarHBondContact SG-CG2 3.02Å; C391-L596 HydrophobicContact CB-CD2 4.44Å; C391-L596 HydrophobicContact CB-CG 4.45Å
392	P	77.8	Confident	76.5	Confident	40 Å²	40	27.9 Å²	27.9	26%	0.26	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-63	140.4	-173.2	24	-34.6	0	0	0	112.8	H576 Y577 I595 K599	P392-H576 HydrophobicContact CB-CB 3.18Å; P392-H576 HydrophobicContact CG-CB 4.05Å; P392-Y577 CarbonylContact C-O 3.54Å; P392-Y577 VanDerWaalsContact CA-O 3.27Å; P392-Y577 WeakPolarHBondContact CA-O 3Å; P392-I595 WeakPolarHBondContact O-CG2 3.37Å; P392-K599 WeakPolarHBondContact O-CE 3.41Å; P392-K599 PolarHBondContact O-NZ 3.26Å
393	F	79.3	Confident	77.1	Confident	3 Å²	3	27.1 Å²	27.1	1%	0.013	15%	0.146	C	C	.	.	S	Bend	trans	-103.3	-20.8	177.5	63.8	-107.1	0	0	0	113.2	F307 Y323 I327 C391 Y577 I579 I595 M604	F307-F393 HydrophobicContact CD1-CE2 4.49Å; F307-F393 HydrophobicContact CE1-CE2 4.32Å; Y323-F393 HydrophobicContact CD1-CD2 4.32Å; Y323-F393 HydrophobicContact CD1-CE2 4.01Å; Y323-F393 AromaticContact CE1-CD2 3.52Å; Y323-F393 HydrophobicContact CE1-CD2 3.52Å; Y323-F393 AromaticContact CE1-CE2 3.63Å; Y323-F393 HydrophobicContact CE1-CE2 3.63Å; Y323-F393 PolarHBondContact OH-O 3.37Å; I327-F393 HydrophobicContact CD1-CB 4.19Å; I327-F393 HydrophobicContact CD1-CD2 3.93Å; I327-F393 HydrophobicContact CD1-CE2 4.5Å; I327-F393 HydrophobicContact CD1-CG 4.12Å; C391-F393 PolarHBondContact O-N 2.71Å; F393-Y577 WeakPolarHBondContact CD1-O 3.41Å; F393-Y577 VanDerWaalsContact CZ-CB 3.49Å; F393-Y577 PolarHBondContact N-O 3.35Å; F393-I579 HydrophobicContact CD1-CG1 3.79Å; F393-I579 HydrophobicContact CE1-CG1 3.93Å; F393-I595 HydrophobicContact CB-CD1 4.41Å; F393-I595 HydrophobicContact CB-CG2 3.88Å; F393-M604 HydrophobicContact CB-CE 3.88Å; F393-M604 HydrophobicContact CB-SD 4.42Å
394	H	71.1	Confident	77.2	Confident	12 Å²	12	29.4 Å²	29.4	6%	0.056	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.4	177.4	-173.4	-78.1	0	0	0	109.6	Y577	H394-Y577 HydrophobicContact CB-CD2 4.14Å; H394-Y577 PolarHBondContact O-N 3.41Å
395	E	63.3	Low	77	Confident	134 Å²	134	28.9 Å²	28.9	63%	0.626	16%	0.156	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.5	177.1	-167.8	172.7	-178	0	0	109
396	V	57.1	Low	76.2	Confident	7 Å²	7	30.2 Å²	30.2	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123	171.8	-175.9	0	0	0	0	106.8	G398 E552 P553 R575 Y577	V396-G398 VanDerWaalsContact CG1-O 3.3Å; V396-G398 WeakPolarHBondContact CG1-O 3.36Å; V396-G398 PolarHBondContact O-N 2.89Å; V396-E552 HydrophobicContact CG1-CB 4.13Å; V396-P553 VanDerWaalsContact CG1-CD 3.46Å; V396-P553 HydrophobicContact CG1-CG 4.23Å; V396-P553 HydrophobicContact CG2-CG 4.04Å; V396-R575 CarbonylContact C-O 3.59Å; V396-R575 WeakPolarHBondContact CA-O 3.39Å; V396-R575 WeakPolarHBondContact CB-O 3.43Å; V396-R575 PolarHBondContact N-O 2.82Å; V396-R575 VanDerWaalsContact N-O 3.07Å; V396-R575 PolarHBondContact O-N 3.33Å; V396-Y577 HydrophobicContact CG2-CD1 4.46Å; V396-Y577 HydrophobicContact CG2-CD2 3.76Å; V396-Y577 HydrophobicContact CG2-CE1 4.22Å; V396-Y577 HydrophobicContact CG2-CE2 3.47Å; V396-Y577 VanDerWaalsContact CG2-CE2 3.47Å; V396-Y577 HydrophobicContact CG2-CG 4.24Å
397	T	56.7	Low	74.8	Confident	63 Å²	63	32 Å²	32	39%	0.387	18%	0.177	S	C	.	.			trans	-81.1	-0.8	-177.9	74.2	0	0	0	0	113.6	E552	T397-E552 WeakPolarHBondContact CA-OE2 3.26Å; T397-E552 VanDerWaalsContact CB-OE2 3.25Å; T397-E552 WeakPolarHBondContact CB-OE2 3.24Å; T397-E552 PolarHBondContact N-OE2 3.49Å; T397-E552 PolarHBondContact OG1-OE1 3.02Å; T397-E552 PolarHBondContact OG1-OE2 2.94Å
398	G	67.2	Low	72.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.			trans	149.7	-160.9	173.6	0	0	0	0	0	114.2	V396 E552 L572 F573	V396-G398 VanDerWaalsContact CG1-O 3.3Å; V396-G398 WeakPolarHBondContact CG1-O 3.36Å; V396-G398 PolarHBondContact O-N 2.89Å; G398-E552 WeakPolarHBondContact O-CB 3.49Å; G398-E552 PolarHBondContact O-N 2.77Å; G398-L572 CarbonylContact C-O 3.5Å; G398-L572 WeakPolarHBondContact CA-O 3.19Å; G398-F573 WeakPolarHBondContact CA-O 3.37Å
399	L	76.1	Confident	70.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	151.3	158.8	-66.6	167.6	0	0	0	109.8	A467 Y470 F471 I549 A550 S570 L572 F573	L399-A467 HydrophobicContact CD2-CB 3.34Å; L399-Y470 HydrophobicContact CD1-CD1 3.69Å; L399-Y470 HydrophobicContact CD1-CE1 4.01Å; L399-F471 HydrophobicContact CD1-CE2 3.7Å; L399-F471 HydrophobicContact CD1-CZ 3.87Å; L399-I549 HydrophobicContact CB-CG2 4.19Å; L399-I549 HydrophobicContact CD1-CG2 4.29Å; L399-I549 HydrophobicContact CD2-CG2 4.4Å; L399-A550 CarbonylContact C-O 3.48Å; L399-A550 WeakPolarHBondContact CA-O 3.5Å; L399-S570 WeakPolarHBondContact O-CB 3.19Å; L399-S570 PolarHBondContact O-N 3.46Å; L399-L572 PolarHBondContact N-O 3.29Å; L399-F573 HydrophobicContact CD1-CB 3.97Å; L399-F573 HydrophobicContact CD2-CD1 4.1Å; L399-F573 HydrophobicContact CG-CB 3.91Å; L399-F573 HydrophobicContact CG-CD1 4.03Å; L399-F573 HydrophobicContact CG-CG 4.37Å
400	A	78.8	Confident	68.1	Low	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	157.9	169.7	0	0	0	0	0	109.8	A550 E552 V555 M567 V568	A400-A550 PolarHBondContact N-O 2.81Å; A400-A550 PolarHBondContact O-N 3.4Å; A400-A550 VanDerWaalsContact O-N 3.09Å; A400-E552 HydrophobicContact CB-CB 4.25Å; A400-E552 HydrophobicContact CB-CG 4.45Å; A400-V555 HydrophobicContact CB-CB 3.85Å; A400-V555 HydrophobicContact CB-CG1 3.95Å; A400-V555 HydrophobicContact CB-CG2 3.92Å; A400-M567 HydrophobicContact CB-CE 3.74Å; A400-M567 HydrophobicContact CB-CG 3.96Å; A400-M567 HydrophobicContact CB-SD 4.35Å; A400-V568 WeakPolarHBondContact CA-O 3.39Å
401	V	83.5	Confident	65.9	Low	2 Å²	2	53.9 Å²	53.9	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.5	177.3	-168.7	0	0	0	0	108.9	L403 L448 L451 A547 F548 I549 M567 V568	V401-L403 HydrophobicContact CG1-CD2 4.18Å; V401-L403 HydrophobicContact CG1-CG 4.12Å; V401-L448 HydrophobicContact CG2-CB 3.95Å; V401-L448 HydrophobicContact CG2-CD1 3.19Å; V401-L448 HydrophobicContact CG2-CD2 4.31Å; V401-L448 HydrophobicContact CG2-CG 3.97Å; V401-L451 HydrophobicContact CG1-CD2 4.06Å; V401-L451 HydrophobicContact CG2-CD2 4.49Å; V401-A547 HydrophobicContact CG1-CB 3.68Å; V401-F548 WeakPolarHBondContact CA-O 3.31Å; V401-I549 HydrophobicContact CG2-CG1 4.38Å; V401-M567 CarbonylContact O-C 3.51Å; V401-M567 WeakPolarHBondContact O-CA 3.39Å; V401-V568 HydrophobicContact CB-CB 4.2Å; V401-V568 PolarHBondContact N-O 3.47Å; V401-V568 PolarHBondContact O-N 2.65Å
402	L	85.3	Confident	63.9	Low	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.4	170.1	-167.4	75.7	0	0	0	109	V533 V536 A547 F548 V555 L558 L565	L402-V533 HydrophobicContact CD2-CG2 4.21Å; L402-V536 HydrophobicContact CD2-CG2 4.41Å; L402-A547 WeakPolarHBondContact O-CA 3.46Å; L402-F548 HydrophobicContact CB-CB 4.15Å; L402-F548 HydrophobicContact CB-CD1 4.28Å; L402-F548 HydrophobicContact CD2-CB 4.48Å; L402-F548 HydrophobicContact CD2-CD1 3.92Å; L402-F548 PolarHBondContact N-O 3.4Å; L402-F548 PolarHBondContact O-N 2.73Å; L402-V555 HydrophobicContact CB-CG1 3.99Å; L402-V555 HydrophobicContact CD1-CG1 3.76Å; L402-L558 HydrophobicContact CD1-CB 4.04Å; L402-L558 HydrophobicContact CD2-CB 4.18Å; L402-L558 HydrophobicContact CD2-CD1 3.86Å; L402-L565 HydrophobicContact CD1-CB 3.85Å; L402-L565 HydrophobicContact CD1-CD1 4.17Å; L402-L565 HydrophobicContact CD1-CD2 4.49Å; L402-L565 HydrophobicContact CD1-CG 4.4Å; L402-L565 HydrophobicContact CD2-CD1 4.08Å; L402-L565 HydrophobicContact CD2-CD2 4.16Å; L402-L565 HydrophobicContact CG-CB 4.39Å; L402-L565 HydrophobicContact CG-CD1 4.44Å; L402-L565 HydrophobicContact CG-CD2 4.15Å
403	L	84.6	Confident	61.9	Low	22 Å²	22	61.4 Å²	61.4	12%	0.115	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	160.5	175.8	-65.7	171.5	0	0	0	109.6	V401 I445 I457 V536 A547 L565 R566 V568	V401-L403 HydrophobicContact CG1-CD2 4.18Å; V401-L403 HydrophobicContact CG1-CG 4.12Å; L403-I445 HydrophobicContact CD1-CB 4.39Å; L403-I457 HydrophobicContact CD2-CD1 4.4Å; L403-I457 HydrophobicContact CD2-CG2 4.43Å; L403-V536 VanDerWaalsContact C-CG1 3.41Å; L403-A547 HydrophobicContact CD2-CB 3.43Å; L403-A547 VanDerWaalsContact CD2-CB 3.43Å; L403-L565 CarbonylContact O-C 3.47Å; L403-L565 WeakPolarHBondContact O-CA 3.25Å; L403-R566 PolarHBondContact N-O 3.47Å; L403-R566 PolarHBondContact O-N 2.82Å; L403-V568 HydrophobicContact CD1-CG2 3.82Å
404	K	83	Confident	59.9	Low	67 Å²	67	67 Å²	67	29%	0.291	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.4	166.9	-177.2	178.6	-177.6	169.9	0	109.4	H406 V536 L537 S539 N564	K404-H406 PolarHBondContact O-CD2 3.46Å; K404-H406 PolarHBondContact O-N 3.16Å; K404-V536 HydrophobicContact CB-CG1 4.25Å; K404-V536 VanDerWaalsContact N-CG1 3.34Å; K404-L537 WeakPolarHBondContact CD-O 3.22Å; K404-L537 WeakPolarHBondContact CE-O 3.32Å; K404-L537 PolarHBondContact NZ-O 2.8Å; K404-S539 WeakPolarHBondContact CD-O 3.45Å; K404-S539 PolarHBondContact NZ-O 2.84Å; K404-S539 VanDerWaalsContact NZ-O 3.15Å; K404-N564 CarbonylContact C-O 3.6Å; K404-N564 WeakPolarHBondContact CA-O 3.41Å
405	D	74	Confident	58.3	Low	60 Å²	60	70.6 Å²	70.6	32%	0.321	38%	0.377	S	S	.	.			trans	-74.3	114.5	169.6	-160.5	21.4	0	0	0	109.4	A407 N564 R566	D405-A407 PolarHBondContact O-N 3.34Å; D405-N564 PolarHBondContact N-O 3.42Å; D405-R566 HydrophobicContact CB-CB 4.02Å
406	H	60.2	Low	57.4	Low	60 Å²	60	69.5 Å²	69.5	28%	0.278	38%	0.38	S	S	.	.			trans	-87.5	92	168.8	-68.2	-89.2	0	0	0	105.5	K404 R408 S541 P542	K404-H406 PolarHBondContact O-CD2 3.46Å; K404-H406 PolarHBondContact O-N 3.16Å; H406-R408 PolarHBondContact O-N 3.41Å; H406-R408 VanDerWaalsContact O-N 3.12Å; H406-S541 VanDerWaalsContact CE1-C 3.48Å; H406-S541 PolarHBondContact NE2-O 2.83Å; H406-P542 VanDerWaalsContact NE2-N 3.18Å
407	A	50.1	Low	56.5	Low	80 Å²	80	73.3 Å²	73.3	66%	0.661	40%	0.399	S	S	*	.			trans	-43.1	121.1	179.3	0	0	0	0	0	110.1	D405 E409	D405-A407 PolarHBondContact O-N 3.34Å; A407-E409 PolarHBondContact O-N 2.76Å
408	R	41.9	Very low	55.7	Low	200 Å²	200	72.4 Å²	72.4	76%	0.755	40%	0.399	S	S	*	.			trans	-64.8	92.9	-172.8	-68.8	175	175.3	-178.7	-1.1	111	H406 S410	H406-R408 PolarHBondContact O-N 3.41Å; H406-R408 VanDerWaalsContact O-N 3.12Å; R408-S410 PolarHBondContact O-N 2.61Å
409	E	34.8	Very low	54.5	Low	191 Å²	191	76.9 Å²	76.9	89%	0.893	43%	0.426	S	S	*	.			trans	-79.6	89.6	155.9	-74.7	-173.2	178.4	0	0	108.4	A407	A407-E409 PolarHBondContact O-N 2.76Å
410	S	38.7	Very low	53.3	Low	55 Å²	55	85.1 Å²	85.1	39%	0.385	46%	0.457	S	S	.	.			trans	-167	84.2	160.3	19.6	0	0	0	0	112.6	R408 L412	R408-S410 PolarHBondContact O-N 2.61Å; S410-L412 PolarHBondContact O-N 3.18Å
411	A	38.4	Very low	51.7	Low	112 Å²	112	93.8 Å²	93.8	93%	0.926	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	9.3	151.7	0	0	0	0	0	113
412	L	41.1	Very low	49.9	Very low	112 Å²	112	97.2 Å²	97.2	59%	0.586	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	7.4	-174.9	-82.5	153.1	0	0	0	113.7	S410 L414 L415	S410-L412 PolarHBondContact O-N 3.18Å; L412-L414 PolarHBondContact O-N 2.91Å; L412-L414 VanDerWaalsContact O-N 3.15Å; L412-L415 HydrophobicContact CD2-CB 4.34Å; L412-L415 HydrophobicContact CD2-CD1 3.5Å; L412-L415 VanDerWaalsContact CD2-CD1 3.5Å; L412-L415 PolarHBondContact O-N 3.01Å
413	I	35.8	Very low	48.3	Very low	109 Å²	109	102.6 Å²	102.6	56%	0.559	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-54.6	-34	174.8	-70.2	170.9	0	0	0	111.2	L415 T416	I413-L415 PolarHBondContact O-N 3.27Å; I413-L415 VanDerWaalsContact O-N 3.15Å; I413-T416 PolarHBondContact O-N 2.71Å; I413-T416 PolarHBondContact O-OG1 3.14Å
414	L	36.6	Very low	46.7	Very low	122 Å²	122	106.1 Å²	106.1	64%	0.639	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.7	178.1	-161.3	75	0	0	0	113.7	L412 A1107	L412-L414 PolarHBondContact O-N 2.91Å; L412-L414 VanDerWaalsContact O-N 3.15Å; L414-A1107 HydrophobicContact CD1-CB 4.04Å; L414-A1107 HydrophobicContact CG-CB 4.36Å
415	L	37.5	Very low	45.1	Very low	86 Å²	86	106.1 Å²	106.1	45%	0.45	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-94.5	-2.4	-176.5	-87.2	158.7	0	0	0	114.2	L412 I413 I417	L412-L415 HydrophobicContact CD2-CB 4.34Å; L412-L415 HydrophobicContact CD2-CD1 3.5Å; L412-L415 VanDerWaalsContact CD2-CD1 3.5Å; L412-L415 PolarHBondContact O-N 3.01Å; I413-L415 PolarHBondContact O-N 3.27Å; I413-L415 VanDerWaalsContact O-N 3.15Å; L415-I417 VanDerWaalsContact C-N 3.33Å; L415-I417 PolarHBondContact O-N 2.9Å
416	T	43.2	Very low	43.9	Very low	111 Å²	111	105.6 Å²	105.6	68%	0.681	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	5.1	-171.9	57.9	0	0	0	0	115.8	I413	I413-T416 PolarHBondContact O-N 2.71Å; I413-T416 PolarHBondContact O-OG1 3.14Å
417	I	39.3	Very low	43.3	Very low	87 Å²	87	107.3 Å²	107.3	45%	0.446	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.2	-8.5	-170.5	-48.2	170.8	0	0	0	113.5	L415 A1110	L415-I417 VanDerWaalsContact C-N 3.33Å; L415-I417 PolarHBondContact O-N 2.9Å; I417-A1110 HydrophobicContact CB-CB 4.23Å; I417-A1110 HydrophobicContact CG2-CB 3.17Å
418	A	39.4	Very low	43.3	Very low	45 Å²	45	106.9 Å²	106.9	37%	0.372	57%	0.567	S	S	.	*			trans	-80.8	129.1	-174.4	0	0	0	0	0	113.9	V422 W423	A418-V422 HydrophobicContact CB-CB 4.24Å; A418-V422 HydrophobicContact CB-CG1 4.28Å; A418-W423 PolarHBondContact O-NE1 2.86Å; A418-W423 VanDerWaalsContact O-NE1 3.1Å
419	T	43.2	Very low	43.6	Very low	93 Å²	93	100.9 Å²	100.9	57%	0.571	56%	0.56	S	S	*	*			trans	-67.4	151.7	172.1	43.2	0	0	0	0	112.2	R421 V422 W423	T419-R421 PolarHBondContact O-N 3.02Å; T419-V422 WeakPolarHBondContact O-CB 3.21Å; T419-V422 PolarHBondContact O-N 2.76Å; T419-W423 PolarHBondContact O-N 2.75Å
420	W	50.1	Low	44.3	Very low	173 Å²	173	93.8 Å²	93.8	66%	0.655	53%	0.534	S	S	*	.	H	α-helix	trans	-54.5	-20	-177	71.2	-89.8	0	0	0	115.2	W423 L424	W420-W423 CarbonylContact O-C 3.35Å; W420-W423 WeakPolarHBondContact O-CB 3.42Å; W420-W423 PolarHBondContact O-N 3.38Å; W420-L424 HydrophobicContact CE3-CD1 4.09Å; W420-L424 HydrophobicContact CE3-CG 4.34Å; W420-L424 HydrophobicContact CZ3-CD1 3.65Å; W420-L424 HydrophobicContact CZ3-CG 4.35Å; W420-L424 PolarHBondContact O-N 3.37Å
421	R	44.2	Very low	44.6	Very low	183 Å²	183	94.8 Å²	94.8	69%	0.691	54%	0.541	S	S	*	.	H	α-helix	trans	-72.7	-37.3	175.1	-65.7	-173.8	176.3	-166.6	0.7	112.9	T419 L424	T419-R421 PolarHBondContact O-N 3.02Å; R421-L424 PolarHBondContact O-N 2.87Å
422	V	45.8	Very low	44.7	Very low	74 Å²	74	96.8 Å²	96.8	45%	0.448	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-37.3	170.3	-178.6	0	0	0	0	109.1	A418 T419 L424 A425 V426	A418-V422 HydrophobicContact CB-CB 4.24Å; A418-V422 HydrophobicContact CB-CG1 4.28Å; T419-V422 WeakPolarHBondContact O-CB 3.21Å; T419-V422 PolarHBondContact O-N 2.76Å; V422-L424 VanDerWaalsContact C-N 3.29Å; V422-L424 PolarHBondContact O-N 2.71Å; V422-A425 WeakPolarHBondContact O-CB 3.5Å; V422-A425 PolarHBondContact O-N 2.92Å; V422-A425 VanDerWaalsContact O-N 3.11Å; V422-V426 WeakPolarHBondContact O-CG2 3.45Å; V422-V426 PolarHBondContact O-N 3.45Å
423	W	51.6	Low	44.2	Very low	113 Å²	113	95.6 Å²	95.6	43%	0.428	54%	0.541	S	S	.	.	H	α-helix	trans	-63.8	-28.9	173.6	-67.7	103.2	0	0	0	113.4	A418 T419 W420 A425 V426 I427	A418-W423 PolarHBondContact O-NE1 2.86Å; A418-W423 VanDerWaalsContact O-NE1 3.1Å; T419-W423 PolarHBondContact O-N 2.75Å; W420-W423 CarbonylContact O-C 3.35Å; W420-W423 WeakPolarHBondContact O-CB 3.42Å; W420-W423 PolarHBondContact O-N 3.38Å; W423-A425 VanDerWaalsContact C-N 3.35Å; W423-A425 PolarHBondContact O-N 2.91Å; W423-V426 HydrophobicContact CE3-CB 3.99Å; W423-V426 HydrophobicContact CE3-CG1 3.87Å; W423-V426 HydrophobicContact CE3-CG2 4.42Å; W423-V426 HydrophobicContact CZ3-CB 4.47Å; W423-V426 HydrophobicContact CZ3-CG1 3.92Å; W423-V426 CarbonylContact O-C 3.36Å; W423-V426 PolarHBondContact O-N 2.89Å; W423-I427 HydrophobicContact CB-CD1 4.48Å; W423-I427 WeakPolarHBondContact O-CA 3.41Å; W423-I427 WeakPolarHBondContact O-CB 3.44Å; W423-I427 VanDerWaalsContact O-CD1 3.27Å; W423-I427 WeakPolarHBondContact O-CD1 3.18Å; W423-I427 WeakPolarHBondContact O-CG1 3.43Å; W423-I427 PolarHBondContact O-N 3.49Å
424	L	51.6	Low	44	Very low	95 Å²	95	93.4 Å²	93.4	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-64.2	-38.7	171.1	-77.2	175.3	0	0	0	112.7	W420 R421 V422 I427 A428	W420-L424 HydrophobicContact CE3-CD1 4.09Å; W420-L424 HydrophobicContact CE3-CG 4.34Å; W420-L424 HydrophobicContact CZ3-CD1 3.65Å; W420-L424 HydrophobicContact CZ3-CG 4.35Å; W420-L424 PolarHBondContact O-N 3.37Å; R421-L424 PolarHBondContact O-N 2.87Å; V422-L424 VanDerWaalsContact C-N 3.29Å; V422-L424 PolarHBondContact O-N 2.71Å; L424-I427 HydrophobicContact CD2-CD1 4.19Å; L424-I427 PolarHBondContact O-N 3.23Å; L424-A428 PolarHBondContact O-N 2.94Å
425	A	49.7	Very low	43.7	Very low	68 Å²	68	95.4 Å²	95.4	56%	0.562	55%	0.55	S	S	*	*	H	α-helix	trans	-68.5	-38.9	174.2	0	0	0	0	0	111.2	V422 W423 A428 A429	V422-A425 WeakPolarHBondContact O-CB 3.5Å; V422-A425 PolarHBondContact O-N 2.92Å; V422-A425 VanDerWaalsContact O-N 3.11Å; W423-A425 VanDerWaalsContact C-N 3.35Å; W423-A425 PolarHBondContact O-N 2.91Å; A425-A428 WeakPolarHBondContact O-CB 3.38Å; A425-A428 PolarHBondContact O-N 3.48Å; A425-A429 PolarHBondContact O-N 3.45Å; A425-A429 VanDerWaalsContact O-N 3.13Å
426	V	48	Very low	43.5	Very low	49 Å²	49	99.6 Å²	99.6	30%	0.297	57%	0.572	S	S	.	*	H	α-helix	trans	-67	-37.1	171.7	178.2	0	0	0	0	111	V422 W423 A428 A429 A430	V422-V426 WeakPolarHBondContact O-CG2 3.45Å; V422-V426 PolarHBondContact O-N 3.45Å; W423-V426 HydrophobicContact CE3-CB 3.99Å; W423-V426 HydrophobicContact CE3-CG1 3.87Å; W423-V426 HydrophobicContact CE3-CG2 4.42Å; W423-V426 HydrophobicContact CZ3-CB 4.47Å; W423-V426 HydrophobicContact CZ3-CG1 3.92Å; W423-V426 CarbonylContact O-C 3.36Å; W423-V426 PolarHBondContact O-N 2.89Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 3.5Å; V426-A429 CarbonylContact O-C 3.34Å; V426-A429 WeakPolarHBondContact O-CA 3.39Å; V426-A429 PolarHBondContact O-N 3.01Å; V426-A429 VanDerWaalsContact O-N 3.11Å; V426-A430 HydrophobicContact CG1-CB 4.26Å; V426-A430 WeakPolarHBondContact O-CA 3.28Å; V426-A430 WeakPolarHBondContact O-CB 3.49Å; V426-A430 PolarHBondContact O-N 3.01Å
427	I	47.8	Very low	42.9	Very low	96 Å²	96	99.9 Å²	99.9	49%	0.492	58%	0.579	S	S	.	*	H	α-helix	trans	-65.6	-37.2	175.5	-74.7	158.5	0	0	0	109.5	W423 L424 A429 A430 S431	W423-I427 HydrophobicContact CB-CD1 4.48Å; W423-I427 WeakPolarHBondContact O-CA 3.41Å; W423-I427 WeakPolarHBondContact O-CB 3.44Å; W423-I427 VanDerWaalsContact O-CD1 3.27Å; W423-I427 WeakPolarHBondContact O-CD1 3.18Å; W423-I427 WeakPolarHBondContact O-CG1 3.43Å; W423-I427 PolarHBondContact O-N 3.49Å; L424-I427 HydrophobicContact CD2-CD1 4.19Å; L424-I427 PolarHBondContact O-N 3.23Å; I427-A429 VanDerWaalsContact C-N 3.31Å; I427-A429 PolarHBondContact O-N 2.83Å; I427-A430 PolarHBondContact O-N 3.44Å; I427-S431 WeakPolarHBondContact O-CA 3.32Å; I427-S431 WeakPolarHBondContact O-CB 3.31Å; I427-S431 PolarHBondContact O-N 3.28Å; I427-S431 PolarHBondContact O-OG 3.49Å
428	A	50	Low	42.4	Very low	70 Å²	70	104.9 Å²	104.9	58%	0.579	60%	0.597	S	S	*	*	H	α-helix	trans	-61.7	-41.7	171.6	0	0	0	0	0	111	L424 A425 V426 S431	L424-A428 PolarHBondContact O-N 2.94Å; A425-A428 WeakPolarHBondContact O-CB 3.38Å; A425-A428 PolarHBondContact O-N 3.48Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 3.5Å; A428-S431 PolarHBondContact O-OG 3.04Å
429	A	49.7	Very low	42.1	Very low	74 Å²	74	114.3 Å²	114.3	61%	0.612	62%	0.623	S	S	*	*	H	α-helix	trans	-76.1	-32.4	176.2	0	0	0	0	0	114.2	A425 V426 I427	A425-A429 PolarHBondContact O-N 3.45Å; A425-A429 VanDerWaalsContact O-N 3.13Å; V426-A429 CarbonylContact O-C 3.34Å; V426-A429 WeakPolarHBondContact O-CA 3.39Å; V426-A429 PolarHBondContact O-N 3.01Å; V426-A429 VanDerWaalsContact O-N 3.11Å; I427-A429 VanDerWaalsContact C-N 3.31Å; I427-A429 PolarHBondContact O-N 2.83Å
430	A	48.3	Very low	41.5	Very low	42 Å²	42	117.4 Å²	117.4	35%	0.347	64%	0.637	S	S	.	*	H	α-helix	trans	-100.2	-5.9	-171.8	0	0	0	0	0	112.8	V426 I427 I432 A433 A434	V426-A430 HydrophobicContact CG1-CB 4.26Å; V426-A430 WeakPolarHBondContact O-CA 3.28Å; V426-A430 WeakPolarHBondContact O-CB 3.49Å; V426-A430 PolarHBondContact O-N 3.01Å; I427-A430 PolarHBondContact O-N 3.44Å; A430-I432 PolarHBondContact O-N 3.4Å; A430-I432 VanDerWaalsContact O-N 3.09Å; A430-A433 CarbonylContact O-C 3.57Å; A430-A433 WeakPolarHBondContact O-CA 3.28Å; A430-A433 PolarHBondContact O-N 2.96Å; A430-A434 PolarHBondContact O-N 3.28Å
431	S	44.5	Very low	41	Very low	76 Å²	76	116 Å²	116	53%	0.531	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.1	-20	164.5	58.9	0	0	0	0	111.7	I427 A428 A433	I427-S431 WeakPolarHBondContact O-CA 3.32Å; I427-S431 WeakPolarHBondContact O-CB 3.31Å; I427-S431 PolarHBondContact O-N 3.28Å; I427-S431 PolarHBondContact O-OG 3.49Å; A428-S431 PolarHBondContact O-OG 3.04Å; S431-A433 VanDerWaalsContact C-N 3.34Å
432	I	40.8	Very low	41	Very low	155 Å²	155	110.4 Å²	110.4	80%	0.795	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-12.3	172.7	-60.4	177.5	0	0	0	112.6	A430	A430-I432 PolarHBondContact O-N 3.4Å; A430-I432 VanDerWaalsContact O-N 3.09Å
433	A	32.1	Very low	40.8	Very low	86 Å²	86	116.4 Å²	116.4	71%	0.711	66%	0.659	S	S	*	*	S	Bend	trans	-128.7	21.2	176.1	0	0	0	0	0	113.2	A430 S431	A430-A433 CarbonylContact O-C 3.57Å; A430-A433 WeakPolarHBondContact O-CA 3.28Å; A430-A433 PolarHBondContact O-N 2.96Å; S431-A433 VanDerWaalsContact C-N 3.34Å
434	A	30.4	Very low	41	Very low	64 Å²	64	114.5 Å²	114.5	53%	0.529	66%	0.662	S	S	.	*			trans	-51.3	143.5	178	0	0	0	0	0	111.7	A430	A430-A434 PolarHBondContact O-N 3.28Å
435	L	30.7	Very low	41.3	Very low	164 Å²	164	110.8 Å²	110.8	86%	0.859	64%	0.642	S	S	*	*			trans	93.7	80	164.4	-53	157.7	0	0	0	115.5
436	L	32.4	Very low	41.8	Very low	174 Å²	174	111.6 Å²	111.6	91%	0.911	64%	0.64	S	S	*	*				-173.8	111.7	121	-93.6	164	0	0	0	113.1
437	S	30.6	Very low	42.4	Very low	117 Å²	117	113.5 Å²	113.5	82%	0.818	65%	0.646	S	S	*	*			trans	65	123.6	145.6	-153.5	0	0	0	0	122.5
438	F	29.6	Very low	42.9	Very low	191 Å²	191	109 Å²	109	84%	0.838	62%	0.623	S	S	*	*			trans	-106.7	158.8	-176.3	-83.6	-102.4	0	0	0	112.2
439	R	32.5	Very low	43.6	Very low	243 Å²	243	110 Å²	110	92%	0.917	62%	0.615	S	S	*	*				-174.8	151.6	128.2	-102.9	168.1	175	-179.5	-1.4	114.4
440	N	31.1	Very low	44.1	Very low	159 Å²	159	109.6 Å²	109.6	85%	0.85	60%	0.601	S	S	*	*			trans	-76.6	149.4	-169.3	-63.8	-25.1	0	0	0	114.5
441	V	40.1	Very low	44.8	Very low	142 Å²	142	107.8 Å²	107.8	86%	0.861	59%	0.585	S	S	*	*			trans	-117.5	136.9	179.4	179.5	0	0	0	0	111.7
442	A	43.2	Very low	45.7	Very low	66 Å²	66	106 Å²	106	55%	0.545	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-98.7	163	-178.6	0	0	0	0	0	113.1	T543	A442-T543 HydrophobicContact CB-CG2 3.96Å
443	K	41.8	Very low	46.6	Very low	200 Å²	200	106.7 Å²	106.7	87%	0.87	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-76.2	143.8	179.6	-66.5	178.3	-178.9	174.7	0	112.3
444	P	56.7	Low	48	Very low	73 Å²	73	105.9 Å²	105.9	47%	0.474	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-77.6	153.3	178.4	31	-34.6	0	0	0	113.5
445	I	56.3	Low	49.5	Very low	18 Å²	18	110.7 Å²	110.7	9%	0.092	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-73.7	136.6	173.3	-61.6	174.8	0	0	0	110	L403 Q447 Q450 L451 I457 R566	L403-I445 HydrophobicContact CD1-CB 4.39Å; I445-Q447 WeakPolarHBondContact CG2-O 3.45Å; I445-Q450 HydrophobicContact CG2-CB 4.23Å; I445-L451 HydrophobicContact CD1-CD1 3.73Å; I445-I457 HydrophobicContact CD1-CD1 3.44Å; I445-I457 VanDerWaalsContact CD1-CD1 3.44Å; I445-R566 PolarHBondContact O-NH2 3.29Å
446	T	60.4	Low	51	Low	84 Å²	84	103.8 Å²	103.8	52%	0.515	53%	0.534	S	S	.	.			trans	-123.5	-17.1	179.3	57.2	0	0	0	0	114	Q450 V568	T446-Q450 PolarHBondContact OG1-NE2 3.41Å; T446-Q450 PolarHBondContact OG1-OE1 3.28Å; T446-V568 VanDerWaalsContact C-CG1 3.44Å; T446-V568 WeakPolarHBondContact O-CG1 3.16Å
447	Q	60.6	Low	52.8	Low	90 Å²	90	95.9 Å²	95.9	42%	0.421	49%	0.493	S	S	.	.	S	Bend	trans	-134.7	144	179.4	-69.6	-179.4	-33.3	0	0	110.3	I445 E449 Q450	I445-Q447 WeakPolarHBondContact CG2-O 3.45Å; Q447-E449 PolarHBondContact O-N 3.37Å; Q447-Q450 HydrophobicContact CB-CG 4.28Å; Q447-Q450 WeakPolarHBondContact O-CB 3.42Å; Q447-Q450 PolarHBondContact O-N 2.98Å; Q447-Q450 VanDerWaalsContact O-N 3.15Å
448	L	59.5	Low	55.2	Low	0 Å²	0	96.8 Å²	96.8	0%	0	48%	0.482	C	S	.	.	H	α-helix	trans	-59.1	-34.7	178.9	169.6	56.6	0	0	0	112.1	V401 Q450 L451 F452 I549 L572	V401-L448 HydrophobicContact CG2-CB 3.95Å; V401-L448 HydrophobicContact CG2-CD1 3.19Å; V401-L448 HydrophobicContact CG2-CD2 4.31Å; V401-L448 HydrophobicContact CG2-CG 3.97Å; L448-Q450 PolarHBondContact O-N 2.92Å; L448-L451 HydrophobicContact CD1-CB 4.4Å; L448-L451 HydrophobicContact CD1-CD2 4.12Å; L448-L451 WeakPolarHBondContact O-CB 3.17Å; L448-L451 PolarHBondContact O-N 3.44Å; L448-F452 HydrophobicContact CD1-CE1 3.78Å; L448-F452 HydrophobicContact CD1-CE2 4.33Å; L448-F452 HydrophobicContact CD1-CZ 3.62Å; L448-F452 HydrophobicContact CD2-CZ 4.2Å; L448-F452 HydrophobicContact CG-CE1 4.4Å; L448-F452 HydrophobicContact CG-CE2 4.07Å; L448-F452 HydrophobicContact CG-CZ 3.76Å; L448-I549 HydrophobicContact CD1-CD1 4.1Å; L448-L572 HydrophobicContact CD2-CB 4.41Å; L448-L572 HydrophobicContact CD2-CD1 3.63Å; L448-L572 HydrophobicContact CG-CD1 4Å
449	E	63.4	Low	57.7	Low	91 Å²	91	88.1 Å²	88.1	43%	0.425	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-26.6	179.6	-60.4	116.3	168.8	0	0	113.2	Q447 L451 F452 L572	Q447-E449 PolarHBondContact O-N 3.37Å; E449-L451 VanDerWaalsContact C-N 3.26Å; E449-L451 PolarHBondContact O-N 2.93Å; E449-F452 PolarHBondContact O-N 3.49Å; E449-L572 HydrophobicContact CG-CD1 4.46Å
450	Q	62	Low	60.1	Low	67 Å²	67	76.6 Å²	76.6	31%	0.313	40%	0.401	S	S	.	.	H	α-helix	trans	-67.8	-29	175.9	-64.8	172.5	-18.3	0	0	111.9	I445 T446 Q447 L448 F452 Q453	I445-Q450 HydrophobicContact CG2-CB 4.23Å; T446-Q450 PolarHBondContact OG1-NE2 3.41Å; T446-Q450 PolarHBondContact OG1-OE1 3.28Å; Q447-Q450 HydrophobicContact CB-CG 4.28Å; Q447-Q450 WeakPolarHBondContact O-CB 3.42Å; Q447-Q450 PolarHBondContact O-N 2.98Å; Q447-Q450 VanDerWaalsContact O-N 3.15Å; L448-Q450 PolarHBondContact O-N 2.92Å; Q450-F452 PolarHBondContact O-N 2.76Å; Q450-Q453 PolarHBondContact O-N 2.9Å
451	L	61.2	Low	62.6	Low	3 Å²	3	69 Å²	69	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-34.7	175.8	-164.4	74.9	0	0	0	110.9	V401 I445 L448 E449 Q453 Q454 I457 Y459 A547 I549	V401-L451 HydrophobicContact CG1-CD2 4.06Å; V401-L451 HydrophobicContact CG2-CD2 4.49Å; I445-L451 HydrophobicContact CD1-CD1 3.73Å; L448-L451 HydrophobicContact CD1-CB 4.4Å; L448-L451 HydrophobicContact CD1-CD2 4.12Å; L448-L451 WeakPolarHBondContact O-CB 3.17Å; L448-L451 PolarHBondContact O-N 3.44Å; E449-L451 VanDerWaalsContact C-N 3.26Å; E449-L451 PolarHBondContact O-N 2.93Å; L451-Q453 VanDerWaalsContact C-N 3.31Å; L451-Q453 PolarHBondContact O-N 3.43Å; L451-Q454 PolarHBondContact O-N 3.21Å; L451-I457 HydrophobicContact CD1-CB 3.94Å; L451-I457 HydrophobicContact CD1-CD1 4.06Å; L451-I457 HydrophobicContact CD1-CG2 3.88Å; L451-Y459 HydrophobicContact CD2-CD1 3.66Å; L451-Y459 HydrophobicContact CD2-CE1 4.32Å; L451-Y459 HydrophobicContact CD2-CG 3.78Å; L451-Y459 HydrophobicContact CG-CD1 3.76Å; L451-Y459 HydrophobicContact CG-CE1 4.13Å; L451-Y459 HydrophobicContact CG-CG 4.39Å; L451-A547 HydrophobicContact CD1-CB 4.29Å; L451-A547 HydrophobicContact CD2-CB 4.1Å; L451-I549 HydrophobicContact CD2-CD1 4.41Å
452	F	63.7	Low	64.4	Low	40 Å²	40	63 Å²	63	18%	0.175	32%	0.324	C	S	.	.	H	α-helix	trans	-75.6	-19.3	-178.6	-54.1	-31.5	0	0	0	113.5	L448 E449 Q450 Y459 F471 L516 I549 L572	L448-F452 HydrophobicContact CD1-CE1 3.78Å; L448-F452 HydrophobicContact CD1-CE2 4.33Å; L448-F452 HydrophobicContact CD1-CZ 3.62Å; L448-F452 HydrophobicContact CD2-CZ 4.2Å; L448-F452 HydrophobicContact CG-CE1 4.4Å; L448-F452 HydrophobicContact CG-CE2 4.07Å; L448-F452 HydrophobicContact CG-CZ 3.76Å; E449-F452 PolarHBondContact O-N 3.49Å; Q450-F452 PolarHBondContact O-N 2.76Å; F452-Y459 HydrophobicContact CD1-CE1 4.47Å; F452-Y459 HydrophobicContact CD1-CE2 4.11Å; F452-Y459 AromaticContact CD1-CZ 3.83Å; F452-Y459 HydrophobicContact CE1-CE2 4.08Å; F452-F471 HydrophobicContact CZ-CE1 4.2Å; F452-F471 HydrophobicContact CZ-CZ 4.31Å; F452-L516 HydrophobicContact CB-CD2 4.22Å; F452-L516 HydrophobicContact CD1-CD1 4.2Å; F452-L516 HydrophobicContact CD1-CD2 3.14Å; F452-L516 HydrophobicContact CD1-CG 4.29Å; F452-L516 HydrophobicContact CD2-CD1 4.04Å; F452-L516 HydrophobicContact CD2-CD2 4.4Å; F452-L516 HydrophobicContact CE1-CD1 4.19Å; F452-L516 HydrophobicContact CE1-CD2 3.4Å; F452-L516 HydrophobicContact CE1-CG 4.47Å; F452-L516 HydrophobicContact CE2-CD1 4.06Å; F452-L516 HydrophobicContact CG-CD1 4.1Å; F452-L516 HydrophobicContact CG-CD2 3.69Å; F452-L516 HydrophobicContact CG-CG 4.48Å; F452-L516 HydrophobicContact CZ-CD1 4.12Å; F452-L516 HydrophobicContact CZ-CD2 4.14Å; F452-I549 HydrophobicContact CE1-CD1 4.4Å; F452-L572 HydrophobicContact CE2-CD1 4.14Å
453	Q	60.2	Low	65.5	Low	168 Å²	168	61.3 Å²	61.3	79%	0.785	31%	0.309	S	S	*	.	H	α-helix	trans	-91.7	-10.4	178.7	-64.8	-179	-3.5	0	0	112.9	Q450 L451	Q450-Q453 PolarHBondContact O-N 2.9Å; L451-Q453 VanDerWaalsContact C-N 3.31Å; L451-Q453 PolarHBondContact O-N 3.43Å
454	Q	61	Low	66.6	Low	69 Å²	69	54.6 Å²	54.6	32%	0.322	28%	0.283	S	S	.	.			trans	-112.3	136.4	-173.5	-174.6	178.5	-20.4	0	0	112	L451	L451-Q454 PolarHBondContact O-N 3.21Å
455	N	63.4	Low	67.3	Low	166 Å²	166	52.6 Å²	52.6	89%	0.888	27%	0.271	S	S	*	.	S	Bend	trans	-89.2	-11.6	-175.4	-68	-19.3	0	0	0	115.4
456	G	62	Low	67.9	Low	18 Å²	18	53 Å²	53	19%	0.186	28%	0.275	C	S	.	.	S	Bend	trans	-81	-32.1	-169.1	0	0	0	0	0	115	T543 H544	G456-T543 CarbonylContact C-O 3.57Å; G456-T543 VanDerWaalsContact CA-O 3.23Å; G456-T543 WeakPolarHBondContact CA-O 3.42Å; G456-H544 WeakPolarHBondContact O-CA 3.42Å
457	I	68.7	Low	68.5	Low	9 Å²	9	49 Å²	49	5%	0.046	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.5	-177.6	-53.6	-178.4	0	0	0	108.5	L403 I445 L451 Y459 P542 T543 A547	L403-I457 HydrophobicContact CD2-CD1 4.4Å; L403-I457 HydrophobicContact CD2-CG2 4.43Å; I445-I457 HydrophobicContact CD1-CD1 3.44Å; I445-I457 VanDerWaalsContact CD1-CD1 3.44Å; L451-I457 HydrophobicContact CD1-CB 3.94Å; L451-I457 HydrophobicContact CD1-CD1 4.06Å; L451-I457 HydrophobicContact CD1-CG2 3.88Å; I457-Y459 WeakPolarHBondContact O-CD1 3.36Å; I457-P542 WeakPolarHBondContact CD1-O 3.41Å; I457-T543 VanDerWaalsContact CG1-O 3.25Å; I457-T543 WeakPolarHBondContact CG1-O 3.44Å; I457-T543 PolarHBondContact N-O 3.39Å; I457-A547 HydrophobicContact CG2-CB 3.71Å
458	K	82.1	Confident	69.2	Low	135 Å²	135	44.9 Å²	44.9	59%	0.587	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	146	170.8	-64.7	-178.9	179.2	-177.2	0	108.6	V523 G545 F546 A547	K458-V523 HydrophobicContact CB-CG1 4.04Å; K458-V523 HydrophobicContact CB-CG2 4.01Å; K458-V523 HydrophobicContact CD-CG2 4.38Å; K458-V523 HydrophobicContact CG-CG2 4.28Å; K458-G545 PolarHBondContact N-O 2.99Å; K458-F546 HydrophobicContact CB-CD2 4.49Å; K458-F546 CarbonylContact O-C 3.6Å; K458-F546 WeakPolarHBondContact O-CA 3.36Å; K458-A547 PolarHBondContact O-N 2.8Å
459	Y	82.3	Confident	69.8	Low	10 Å²	10	46.9 Å²	46.9	4%	0.039	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.6	178.6	50.9	-92.7	0	0	0	111.6	L451 F452 I457 L516 L519 M520 A547 I549	L451-Y459 HydrophobicContact CD2-CD1 3.66Å; L451-Y459 HydrophobicContact CD2-CE1 4.32Å; L451-Y459 HydrophobicContact CD2-CG 3.78Å; L451-Y459 HydrophobicContact CG-CD1 3.76Å; L451-Y459 HydrophobicContact CG-CE1 4.13Å; L451-Y459 HydrophobicContact CG-CG 4.39Å; F452-Y459 HydrophobicContact CD1-CE1 4.47Å; F452-Y459 HydrophobicContact CD1-CE2 4.11Å; F452-Y459 AromaticContact CD1-CZ 3.83Å; F452-Y459 HydrophobicContact CE1-CE2 4.08Å; I457-Y459 WeakPolarHBondContact O-CD1 3.36Å; Y459-L516 HydrophobicContact CE2-CD2 3.53Å; Y459-L516 WeakPolarHBondContact OH-CD2 3.34Å; Y459-L519 HydrophobicContact CE1-CD2 3.96Å; Y459-L519 HydrophobicContact CE2-CD2 4.21Å; Y459-L519 WeakPolarHBondContact OH-CD2 3.45Å; Y459-M520 HydrophobicContact CD2-CE 3.86Å; Y459-M520 HydrophobicContact CD2-CG 4.11Å; Y459-M520 HydrophobicContact CE2-CE 3.8Å; Y459-M520 HydrophobicContact CE2-CG 4.25Å; Y459-A547 WeakPolarHBondContact CA-O 3.47Å; Y459-A547 WeakPolarHBondContact CB-O 3.16Å; Y459-I549 HydrophobicContact CD2-CD1 3.84Å; Y459-I549 HydrophobicContact CG-CD1 4.31Å
460	S	83.4	Confident	70.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.9	169.4	69.6	0	0	0	0	111.6	G524 P526 F546 A547 I549	S460-G524 PolarHBondContact OG-O 2.76Å; S460-G524 VanDerWaalsContact OG-O 3.11Å; S460-P526 WeakPolarHBondContact OG-CD 3.38Å; S460-F546 VanDerWaalsContact OG-CE2 3.3Å; S460-F546 WeakPolarHBondContact OG-CE2 3.2Å; S460-F546 WeakPolarHBondContact OG-CZ 3.4Å; S460-A547 PolarHBondContact N-O 2.85Å; S460-I549 PolarHBondContact O-N 2.8Å; S460-I549 VanDerWaalsContact O-N 3.15Å
461	V	83.3	Confident	70.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	153	177.8	-72.4	0	0	0	0	108.4	A463 A467 F471 W517 M520 M525 P526 I549	V461-A463 PolarHBondContact O-N 2.87Å; V461-A467 HydrophobicContact CB-CB 4.32Å; V461-A467 HydrophobicContact CG1-CB 3.84Å; V461-F471 HydrophobicContact CG1-CD2 3.91Å; V461-F471 HydrophobicContact CG1-CE2 3.94Å; V461-W517 HydrophobicContact CG2-CZ3 4.06Å; V461-M520 HydrophobicContact CG1-SD 4.15Å; V461-M520 HydrophobicContact CG2-SD 3.93Å; V461-M525 HydrophobicContact CG2-CG 4.39Å; V461-M525 HydrophobicContact CG2-SD 3.9Å; V461-M525 VanDerWaalsContact O-CB 3.24Å; V461-M525 WeakPolarHBondContact O-CB 3.12Å; V461-M525 VanDerWaalsContact O-CG 3.3Å; V461-M525 WeakPolarHBondContact O-CG 3.39Å; V461-P526 WeakPolarHBondContact O-CD 3.22Å; V461-I549 HydrophobicContact CG1-CB 3.76Å; V461-I549 HydrophobicContact CG1-CG2 4.08Å; V461-I549 WeakPolarHBondContact CG1-O 3.31Å
462	V	78	Confident	71.4	Confident	17 Å²	17	40.9 Å²	40.9	10%	0.103	21%	0.213	C	C	.	.			trans	-62.4	133.8	171.4	164.2	0	0	0	0	108.6	D464 S465 P526 I529 A532 F548	V462-D464 PolarHBondContact O-N 3.49Å; V462-S465 VanDerWaalsContact O-CB 3.28Å; V462-S465 WeakPolarHBondContact O-CB 3.29Å; V462-S465 PolarHBondContact O-N 3.45Å; V462-S465 PolarHBondContact O-OG 3.24Å; V462-P526 VanDerWaalsContact CA-O 3.32Å; V462-P526 WeakPolarHBondContact CA-O 3.46Å; V462-P526 HydrophobicContact CG2-CB 4.49Å; V462-P526 HydrophobicContact CG2-CG 3.94Å; V462-I529 HydrophobicContact CG2-CG1 4.42Å; V462-A532 HydrophobicContact CG2-CB 4.29Å; V462-F548 HydrophobicContact CB-CE2 4.26Å; V462-F548 HydrophobicContact CG2-CE2 3.52Å; V462-F548 HydrophobicContact CG2-CZ 3.66Å
463	A	66.1	Low	71.6	Confident	29 Å²	29	41 Å²	41	24%	0.24	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	139	178.5	0	0	0	0	0	110.4	V461 S465 M525 P526	V461-A463 PolarHBondContact O-N 2.87Å; A463-S465 PolarHBondContact O-N 2.71Å; A463-M525 HydrophobicContact CB-CB 4.13Å; A463-P526 PolarHBondContact N-O 2.64Å
464	D	64.8	Low	72	Confident	59 Å²	59	33.5 Å²	33.5	32%	0.316	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	8.3	179.5	-54.3	-53.6	0	0	0	116.1	R351 V462 Y469	R351-D464 IonicContact CZ-OD1 3.31Å; R351-D464 IonicContact CZ-OD2 2.72Å; R351-D464 IonicContact NE-OD1 2.67Å; R351-D464 PolarHBondContact NE-OD1 2.88Å; R351-D464 IonicContact NE-OD2 3.52Å; R351-D464 IonicContact NH1-OD1 3.23Å; R351-D464 IonicContact NH1-OD2 2.66Å; R351-D464 PolarHBondContact NH1-OD2 2.94Å; R351-D464 IonicContact NH2-OD1 2.96Å; R351-D464 PolarHBondContact NH2-OD1 3.38Å; R351-D464 IonicContact NH2-OD2 2.85Å; R351-D464 PolarHBondContact NH2-OD2 3.18Å; V462-D464 PolarHBondContact O-N 3.49Å; D464-Y469 HydrophobicContact CB-CE2 4.48Å
465	S	71.6	Confident	72.4	Confident	31 Å²	31	30.4 Å²	30.4	22%	0.217	16%	0.163	C	C	.	.	S	Bend	trans	-68.6	160.2	169.2	68.2	0	0	0	0	112	V462 A463 A467 G468 Y469	V462-S465 VanDerWaalsContact O-CB 3.28Å; V462-S465 WeakPolarHBondContact O-CB 3.29Å; V462-S465 PolarHBondContact O-N 3.45Å; V462-S465 PolarHBondContact O-OG 3.24Å; A463-S465 PolarHBondContact O-N 2.71Å; S465-A467 PolarHBondContact O-N 3.08Å; S465-G468 WeakPolarHBondContact O-CA 3.11Å; S465-G468 PolarHBondContact O-N 3.43Å; S465-G468 PolarHBondContact OG-N 3Å; S465-G468 VanDerWaalsContact OG-N 3.15Å; S465-Y469 PolarHBondContact O-N 2.75Å
466	S	68.3	Low	72.8	Confident	26 Å²	26	26.8 Å²	26.8	18%	0.182	14%	0.141	C	C	.	.	H	α-helix	trans	-55.3	-34.6	173	53.1	0	0	0	0	112.6	Y470 T551	S466-Y470 PolarHBondContact O-N 2.98Å; S466-T551 WeakPolarHBondContact OG-CG2 3.23Å
467	A	72.8	Confident	72.9	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-43.6	172.9	0	0	0	0	0	112.4	L399 V461 S465 Y470 F471	L399-A467 HydrophobicContact CD2-CB 3.34Å; V461-A467 HydrophobicContact CB-CB 4.32Å; V461-A467 HydrophobicContact CG1-CB 3.84Å; S465-A467 PolarHBondContact O-N 3.08Å; A467-Y470 WeakPolarHBondContact O-CB 3.46Å; A467-Y470 PolarHBondContact O-N 3.39Å; A467-F471 WeakPolarHBondContact O-CD2 3.33Å; A467-F471 PolarHBondContact O-N 3.36Å
468	G	76.1	Confident	72.8	Confident	3 Å²	3	27.7 Å²	27.7	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-43.6	175.4	0	0	0	0	0	113	S465 Y470 F471 S472 W517	S465-G468 WeakPolarHBondContact O-CA 3.11Å; S465-G468 PolarHBondContact O-N 3.43Å; S465-G468 PolarHBondContact OG-N 3Å; S465-G468 VanDerWaalsContact OG-N 3.15Å; G468-Y470 VanDerWaalsContact C-N 3.33Å; G468-Y470 PolarHBondContact O-N 3.42Å; G468-F471 PolarHBondContact O-N 2.75Å; G468-S472 WeakPolarHBondContact O-CB 3.33Å; G468-S472 PolarHBondContact O-N 3.03Å; G468-S472 PolarHBondContact O-OG 3.46Å; G468-W517 WeakPolarHBondContact O-CH2 3.3Å; G468-W517 WeakPolarHBondContact O-CZ3 3.41Å
469	Y	71.8	Confident	72.2	Confident	42 Å²	42	24.5 Å²	24.5	17%	0.165	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-37.8	174.2	-91.7	-81.6	0	0	0	113.1	D464 S465 S472 R473	D464-Y469 HydrophobicContact CB-CE2 4.48Å; S465-Y469 PolarHBondContact O-N 2.75Å; Y469-S472 PolarHBondContact O-OG 2.9Å; Y469-R473 WeakPolarHBondContact O-CB 3.25Å; Y469-R473 WeakPolarHBondContact O-CG 2.84Å; Y469-R473 PolarHBondContact O-N 3.06Å
470	Y	70.4	Confident	71.4	Confident	22 Å²	22	28.2 Å²	28.2	9%	0.086	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-53.1	176.4	172.9	-108.7	0	0	0	112.3	L399 S466 A467 G468 S472 R473 L474 F573 W1182	L399-Y470 HydrophobicContact CD1-CD1 3.69Å; L399-Y470 HydrophobicContact CD1-CE1 4.01Å; S466-Y470 PolarHBondContact O-N 2.98Å; A467-Y470 WeakPolarHBondContact O-CB 3.46Å; A467-Y470 PolarHBondContact O-N 3.39Å; G468-Y470 VanDerWaalsContact C-N 3.33Å; G468-Y470 PolarHBondContact O-N 3.42Å; Y470-S472 PolarHBondContact O-N 3.11Å; Y470-R473 PolarHBondContact O-N 3.4Å; Y470-L474 HydrophobicContact CD1-CD1 4.06Å; Y470-L474 HydrophobicContact CD2-CD1 3.83Å; Y470-L474 HydrophobicContact CE1-CD1 3.52Å; Y470-L474 HydrophobicContact CE2-CD1 3.29Å; Y470-L474 HydrophobicContact CE2-CG 4.26Å; Y470-L474 HydrophobicContact CG-CD1 4.22Å; Y470-L474 PolarHBondContact O-N 2.75Å; Y470-L474 WeakPolarHBondContact OH-CD1 3.32Å; Y470-F573 HydrophobicContact CD1-CB 4.14Å; Y470-F573 HydrophobicContact CD1-CG 4.43Å; Y470-F573 HydrophobicContact CD2-CB 3.97Å; Y470-F573 AromaticContact CD2-CD2 3.16Å; Y470-F573 HydrophobicContact CD2-CD2 3.16Å; Y470-F573 AromaticContact CD2-CE2 3.84Å; Y470-F573 HydrophobicContact CD2-CE2 3.84Å; Y470-F573 AromaticContact CD2-CG 3.84Å; Y470-F573 HydrophobicContact CD2-CG 3.84Å; Y470-F573 HydrophobicContact CE1-CB 4.03Å; Y470-F573 HydrophobicContact CE2-CB 3.84Å; Y470-F573 AromaticContact CE2-CD2 3.65Å; Y470-F573 HydrophobicContact CE2-CD2 3.65Å; Y470-F573 HydrophobicContact CE2-CG 4.17Å; Y470-F573 HydrophobicContact CG-CB 4.08Å; Y470-F573 AromaticContact CG-CD2 3.63Å; Y470-F573 HydrophobicContact CG-CD2 3.63Å; Y470-F573 HydrophobicContact CG-CE2 4.21Å; Y470-F573 AromaticContact CG-CG 3.93Å; Y470-F573 HydrophobicContact CG-CG 3.93Å; Y470-W1182 HydrophobicContact CD2-CE3 4.41Å; Y470-W1182 HydrophobicContact CD2-CH2 4.08Å; Y470-W1182 AromaticContact CD2-CZ3 3.58Å; Y470-W1182 HydrophobicContact CD2-CZ3 3.58Å; Y470-W1182 HydrophobicContact CE2-CZ3 4.13Å
471	F	73.9	Confident	70.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-36.2	-178.7	-72.2	-69.6	0	0	0	112.5	L399 F452 V461 A467 G468 A475 Y513 W517 M520 I549	L399-F471 HydrophobicContact CD1-CE2 3.7Å; L399-F471 HydrophobicContact CD1-CZ 3.87Å; F452-F471 HydrophobicContact CZ-CE1 4.2Å; F452-F471 HydrophobicContact CZ-CZ 4.31Å; V461-F471 HydrophobicContact CG1-CD2 3.91Å; V461-F471 HydrophobicContact CG1-CE2 3.94Å; A467-F471 WeakPolarHBondContact O-CD2 3.33Å; A467-F471 PolarHBondContact O-N 3.36Å; G468-F471 PolarHBondContact O-N 2.75Å; F471-A475 WeakPolarHBondContact O-CB 3.24Å; F471-A475 PolarHBondContact O-N 3.14Å; F471-A475 VanDerWaalsContact O-N 3.07Å; F471-Y513 AromaticContact CD1-CD1 3.98Å; F471-Y513 HydrophobicContact CD1-CD1 3.98Å; F471-Y513 HydrophobicContact CD1-CE1 4.41Å; F471-Y513 HydrophobicContact CE1-CD1 4.2Å; F471-Y513 HydrophobicContact CE1-CE1 4.22Å; F471-W517 HydrophobicContact CB-CD2 4.46Å; F471-W517 HydrophobicContact CB-CE3 3.58Å; F471-W517 HydrophobicContact CB-CZ3 4.02Å; F471-M520 HydrophobicContact CB-SD 4.32Å; F471-M520 HydrophobicContact CD1-CE 3.9Å; F471-M520 HydrophobicContact CD2-CE 3.74Å; F471-M520 HydrophobicContact CD2-SD 3.9Å; F471-M520 HydrophobicContact CE1-CE 3.9Å; F471-M520 HydrophobicContact CE2-CE 3.75Å; F471-M520 HydrophobicContact CE2-SD 4.4Å; F471-M520 HydrophobicContact CG-CE 3.83Å; F471-M520 HydrophobicContact CG-SD 4.06Å; F471-M520 HydrophobicContact CZ-CE 3.84Å; F471-I549 HydrophobicContact CE2-CG2 3.97Å; F471-I549 HydrophobicContact CZ-CD1 4.49Å; F471-I549 HydrophobicContact CZ-CG2 4.39Å
472	S	76.3	Confident	69.6	Low	13 Å²	13	29.8 Å²	29.8	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-44.9	177.1	74.9	0	0	0	0	112	G468 Y469 Y470 A475 E476	G468-S472 WeakPolarHBondContact O-CB 3.33Å; G468-S472 PolarHBondContact O-N 3.03Å; G468-S472 PolarHBondContact O-OG 3.46Å; Y469-S472 PolarHBondContact O-OG 2.9Å; Y470-S472 PolarHBondContact O-N 3.11Å; S472-A475 WeakPolarHBondContact O-CB 3.08Å; S472-A475 PolarHBondContact O-N 2.94Å; S472-E476 WeakPolarHBondContact O-CG 3.44Å; S472-E476 PolarHBondContact O-N 3.15Å
473	R	66.5	Low	69	Low	43 Å²	43	34 Å²	34	16%	0.162	18%	0.18	C	C	.	.	H	α-helix	trans	-70.6	-39.7	-179.8	-74.7	-60.6	-152.5	-107.2	-8.1	113	E382 Y469 Y470 A475 E476 L477 D1178 W1182	E382-R473 IonicContact OE1-CZ 2.6Å; E382-R473 IonicContact OE1-NH2 2.68Å; E382-R473 PolarHBondContact OE1-NH2 2.93Å; Y469-R473 WeakPolarHBondContact O-CB 3.25Å; Y469-R473 WeakPolarHBondContact O-CG 2.84Å; Y469-R473 PolarHBondContact O-N 3.06Å; Y470-R473 PolarHBondContact O-N 3.4Å; R473-A475 VanDerWaalsContact C-N 3.29Å; R473-A475 PolarHBondContact O-N 3.37Å; R473-E476 WeakPolarHBondContact CD-OE2 3.19Å; R473-E476 IonicContact CZ-OE2 2.71Å; R473-E476 IonicContact NE-OE2 2.8Å; R473-E476 IonicContact NH1-OE2 3.61Å; R473-E476 PolarHBondContact NH1-OE2 3.05Å; R473-E476 PolarHBondContact O-N 3.13Å; R473-L477 WeakPolarHBondContact O-CB 3.44Å; R473-L477 WeakPolarHBondContact O-CG 3.48Å; R473-L477 PolarHBondContact O-N 2.65Å; R473-D1178 IonicContact NH2-OD1 3.17Å; R473-W1182 HydrophobicContact CB-CZ2 3.98Å; R473-W1182 HydrophobicContact CG-CZ2 4.17Å
474	L	68.9	Low	68.7	Low	10 Å²	10	36.6 Å²	36.6	5%	0.052	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-38.1	173	-87.9	164.9	0	0	0	111.9	Y470 L477 E478 Y513 P1185	Y470-L474 HydrophobicContact CD1-CD1 4.06Å; Y470-L474 HydrophobicContact CD2-CD1 3.83Å; Y470-L474 HydrophobicContact CE1-CD1 3.52Å; Y470-L474 HydrophobicContact CE2-CD1 3.29Å; Y470-L474 HydrophobicContact CE2-CG 4.26Å; Y470-L474 HydrophobicContact CG-CD1 4.22Å; Y470-L474 PolarHBondContact O-N 2.75Å; Y470-L474 WeakPolarHBondContact OH-CD1 3.32Å; L474-L477 PolarHBondContact O-N 3.45Å; L474-E478 WeakPolarHBondContact O-CB 3.09Å; L474-E478 WeakPolarHBondContact O-CG 3.46Å; L474-E478 PolarHBondContact O-N 3.17Å; L474-Y513 HydrophobicContact CB-CD1 4.28Å; L474-Y513 HydrophobicContact CB-CD2 4.15Å; L474-Y513 HydrophobicContact CB-CG 3.85Å; L474-Y513 HydrophobicContact CD1-CD1 4.03Å; L474-Y513 HydrophobicContact CD1-CD2 4.29Å; L474-Y513 HydrophobicContact CD1-CE1 3.91Å; L474-Y513 HydrophobicContact CD1-CE2 4.19Å; L474-Y513 HydrophobicContact CD1-CG 4.21Å; L474-Y513 HydrophobicContact CD2-CD2 4.21Å; L474-Y513 HydrophobicContact CD2-CE2 4.28Å; L474-Y513 HydrophobicContact CG-CD2 4.48Å; L474-P1185 HydrophobicContact CD2-CB 3.87Å
475	A	70.8	Confident	68.3	Low	4 Å²	4	34.8 Å²	34.8	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-65	-43.7	172.8	0	0	0	0	0	112.1	F471 S472 R473 E478 D479 W517	F471-A475 WeakPolarHBondContact O-CB 3.24Å; F471-A475 PolarHBondContact O-N 3.14Å; F471-A475 VanDerWaalsContact O-N 3.07Å; S472-A475 WeakPolarHBondContact O-CB 3.08Å; S472-A475 PolarHBondContact O-N 2.94Å; R473-A475 VanDerWaalsContact C-N 3.29Å; R473-A475 PolarHBondContact O-N 3.37Å; A475-E478 PolarHBondContact O-N 3.23Å; A475-D479 VanDerWaalsContact O-CG 3.24Å; A475-D479 PolarHBondContact O-N 2.79Å; A475-W517 HydrophobicContact CB-CB 3.72Å; A475-W517 HydrophobicContact CB-CG 4.01Å
476	E	71.1	Confident	67.7	Low	91 Å²	91	40.1 Å²	40.1	43%	0.425	19%	0.192	S	C	.	.	H	α-helix	trans	-64.8	-37.3	175.1	-74.9	173.3	-176	0	0	112.4	S472 R473 D479 L480	S472-E476 WeakPolarHBondContact O-CG 3.44Å; S472-E476 PolarHBondContact O-N 3.15Å; R473-E476 WeakPolarHBondContact CD-OE2 3.19Å; R473-E476 IonicContact CZ-OE2 2.71Å; R473-E476 IonicContact NE-OE2 2.8Å; R473-E476 IonicContact NH1-OE2 3.61Å; R473-E476 PolarHBondContact NH1-OE2 3.05Å; R473-E476 PolarHBondContact O-N 3.13Å; E476-D479 WeakPolarHBondContact O-CB 3.07Å; E476-D479 PolarHBondContact O-N 3.07Å; E476-L480 WeakPolarHBondContact O-CB 3.44Å; E476-L480 VanDerWaalsContact O-CG 3.32Å; E476-L480 WeakPolarHBondContact O-CG 3.47Å; E476-L480 PolarHBondContact O-N 3.46Å
477	L	64.3	Low	66.9	Low	34 Å²	34	41.3 Å²	41.3	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-41.9	174.4	-78.1	167.7	0	0	0	111.5	R473 L474 D479 L480 M481 W1182	R473-L477 WeakPolarHBondContact O-CB 3.44Å; R473-L477 WeakPolarHBondContact O-CG 3.48Å; R473-L477 PolarHBondContact O-N 2.65Å; L474-L477 PolarHBondContact O-N 3.45Å; L477-D479 VanDerWaalsContact C-N 3.28Å; L477-D479 PolarHBondContact O-N 3.02Å; L477-L480 PolarHBondContact O-N 3.44Å; L477-M481 WeakPolarHBondContact O-CB 3.39Å; L477-M481 WeakPolarHBondContact O-CG 3.48Å; L477-M481 PolarHBondContact O-N 3.28Å; L477-W1182 HydrophobicContact CD1-CB 4.31Å; L477-W1182 HydrophobicContact CD1-CG 4.08Å
478	E	66	Low	66	Low	11 Å²	11	42.2 Å²	42.2	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-58.1	-42.2	169.5	-81.3	-174	173.7	0	0	110.8	L474 A475 M481 D482 Y513 R514	L474-E478 WeakPolarHBondContact O-CB 3.09Å; L474-E478 WeakPolarHBondContact O-CG 3.46Å; L474-E478 PolarHBondContact O-N 3.17Å; A475-E478 PolarHBondContact O-N 3.23Å; E478-M481 PolarHBondContact O-N 2.88Å; E478-D482 VanDerWaalsContact O-CB 3.25Å; E478-D482 WeakPolarHBondContact O-CB 3.3Å; E478-D482 PolarHBondContact O-N 3.2Å; E478-Y513 VanDerWaalsContact OE1-CD2 3.28Å; E478-Y513 WeakPolarHBondContact OE1-CD2 3.27Å; E478-Y513 PolarHBondContact OE1-N 2.71Å; E478-Y513 VanDerWaalsContact OE1-N 3.11Å; E478-Y513 PolarHBondContact OE2-N 3.32Å; E478-R514 WeakPolarHBondContact OE2-CB 3.29Å; E478-R514 PolarHBondContact OE2-N 3.46Å
479	D	69.4	Low	64.7	Low	69 Å²	69	44.6 Å²	44.6	37%	0.369	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-45.1	174.8	-69.6	-6.9	0	0	0	112.4	A475 E476 L477 L483 R514	A475-D479 VanDerWaalsContact O-CG 3.24Å; A475-D479 PolarHBondContact O-N 2.79Å; E476-D479 WeakPolarHBondContact O-CB 3.07Å; E476-D479 PolarHBondContact O-N 3.07Å; L477-D479 VanDerWaalsContact C-N 3.28Å; L477-D479 PolarHBondContact O-N 3.02Å; D479-L483 WeakPolarHBondContact O-CB 3.29Å; D479-L483 PolarHBondContact O-N 3.38Å; D479-R514 IonicContact OD1-CZ 3.21Å; D479-R514 IonicContact OD1-NE 2.73Å; D479-R514 PolarHBondContact OD1-NE 2.81Å; D479-R514 IonicContact OD1-NH2 2.79Å; D479-R514 PolarHBondContact OD1-NH2 3.46Å
480	L	65	Low	63.5	Low	88 Å²	88	48.3 Å²	48.3	46%	0.461	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-38.5	177.8	-75.9	172	0	0	0	111.9	E476 L477 Q484	E476-L480 WeakPolarHBondContact O-CB 3.44Å; E476-L480 VanDerWaalsContact O-CG 3.32Å; E476-L480 WeakPolarHBondContact O-CG 3.47Å; E476-L480 PolarHBondContact O-N 3.46Å; L477-L480 PolarHBondContact O-N 3.44Å; L480-Q484 WeakPolarHBondContact O-CA 3.33Å; L480-Q484 WeakPolarHBondContact O-CB 3.44Å; L480-Q484 VanDerWaalsContact O-CG 3.28Å; L480-Q484 WeakPolarHBondContact O-CG 3.49Å; L480-Q484 PolarHBondContact O-N 2.86Å
481	M	65.1	Low	62.3	Low	13 Å²	13	55.8 Å²	55.8	6%	0.064	27%	0.27	C	S	.	.	H	α-helix	trans	-73.9	-39.2	176.7	-72.4	-171.8	-52.3	0	0	112.5	L477 E478 L483 Q484 W485 P1185 F1186	L477-M481 WeakPolarHBondContact O-CB 3.39Å; L477-M481 WeakPolarHBondContact O-CG 3.48Å; L477-M481 PolarHBondContact O-N 3.28Å; E478-M481 PolarHBondContact O-N 2.88Å; M481-L483 VanDerWaalsContact C-N 3.32Å; M481-Q484 PolarHBondContact O-N 2.88Å; M481-W485 WeakPolarHBondContact O-CA 3.42Å; M481-W485 WeakPolarHBondContact O-CB 3.33Å; M481-W485 PolarHBondContact O-N 2.82Å; M481-P1185 HydrophobicContact CE-CG 3.71Å; M481-P1185 HydrophobicContact SD-CG 4.15Å; M481-F1186 HydrophobicContact CE-CD2 4.33Å; M481-F1186 HydrophobicContact CE-CE2 3.17Å; M481-F1186 HydrophobicContact CE-CZ 3.33Å; M481-F1186 HydrophobicContact SD-CE2 3.84Å
482	D	65.1	Low	60.8	Low	20 Å²	20	57.6 Å²	57.6	11%	0.107	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-42.3	171.8	178.7	28.5	0	0	0	109.9	E478 W485 R486 R514	E478-D482 VanDerWaalsContact O-CB 3.25Å; E478-D482 WeakPolarHBondContact O-CB 3.3Å; E478-D482 PolarHBondContact O-N 3.2Å; D482-W485 WeakPolarHBondContact O-CB 3.41Å; D482-W485 PolarHBondContact O-N 3.4Å; D482-R486 WeakPolarHBondContact O-CB 3.3Å; D482-R486 WeakPolarHBondContact O-CG 3.45Å; D482-R486 PolarHBondContact O-N 2.69Å; D482-R486 IonicContact OD1-CZ 2.83Å; D482-R486 IonicContact OD1-NE 3.44Å; D482-R486 PolarHBondContact OD1-NE 3.38Å; D482-R486 IonicContact OD1-NH2 2.7Å; D482-R486 PolarHBondContact OD1-NH2 3.42Å; D482-R486 IonicContact OD2-CZ 3.51Å; D482-R486 IonicContact OD2-NE 2.7Å; D482-R486 PolarHBondContact OD2-NE 3.39Å; D482-R486 IonicContact OD2-NH2 3.71Å; D482-R486 PolarHBondContact OD2-NH2 2.87Å; D482-R514 IonicContact OD2-CZ 3.12Å; D482-R514 IonicContact OD2-NH1 3.01Å; D482-R514 PolarHBondContact OD2-NH1 3.39Å; D482-R514 IonicContact OD2-NH2 3.72Å; D482-R514 PolarHBondContact OD2-NH2 2.71Å
483	L	64.3	Low	59.3	Low	104 Å²	104	62.2 Å²	62.2	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-71.4	-39.8	176.7	-163.4	133.9	0	0	0	111.9	D479 M481 W485 T487	D479-L483 WeakPolarHBondContact O-CB 3.29Å; D479-L483 PolarHBondContact O-N 3.38Å; M481-L483 VanDerWaalsContact C-N 3.32Å; L483-W485 VanDerWaalsContact C-N 3.31Å; L483-T487 HydrophobicContact CD2-CG2 3.98Å; L483-T487 HydrophobicContact CG-CG2 4.36Å; L483-T487 WeakPolarHBondContact O-CA 3.37Å; L483-T487 WeakPolarHBondContact O-CB 3.25Å; L483-T487 WeakPolarHBondContact O-CG2 3.31Å; L483-T487 PolarHBondContact O-N 2.95Å; L483-T487 PolarHBondContact O-OG1 2.83Å
484	Q	59.9	Low	58.3	Low	85 Å²	85	62.4 Å²	62.4	40%	0.397	32%	0.317	S	S	.	.	H	α-helix	trans	-64.8	-35.7	171.9	-84.5	-169	-25.8	0	0	111.7	L480 M481 T487 S488	L480-Q484 WeakPolarHBondContact O-CA 3.33Å; L480-Q484 WeakPolarHBondContact O-CB 3.44Å; L480-Q484 VanDerWaalsContact O-CG 3.28Å; L480-Q484 WeakPolarHBondContact O-CG 3.49Å; L480-Q484 PolarHBondContact O-N 2.86Å; M481-Q484 PolarHBondContact O-N 2.88Å; Q484-T487 VanDerWaalsContact CA-OG1 3.28Å; Q484-T487 WeakPolarHBondContact CA-OG1 3.35Å; Q484-T487 PolarHBondContact O-OG1 2.98Å; Q484-S488 WeakPolarHBondContact O-CA 3.5Å; Q484-S488 WeakPolarHBondContact O-CB 3.46Å; Q484-S488 PolarHBondContact O-N 3.4Å; Q484-S488 PolarHBondContact O-OG 3.45Å
485	W	56.3	Low	57.2	Low	21 Å²	21	64.2 Å²	64.2	8%	0.08	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-56.7	174	173.9	-111.4	0	0	0	109.8	M481 D482 L483 T487 S488 M489 L502 Y507 F1158	M481-W485 WeakPolarHBondContact O-CA 3.42Å; M481-W485 WeakPolarHBondContact O-CB 3.33Å; M481-W485 PolarHBondContact O-N 2.82Å; D482-W485 WeakPolarHBondContact O-CB 3.41Å; D482-W485 PolarHBondContact O-N 3.4Å; L483-W485 VanDerWaalsContact C-N 3.31Å; W485-T487 VanDerWaalsContact C-N 3.3Å; W485-T487 PolarHBondContact O-N 2.64Å; W485-S488 CarbonylContact O-C 3.52Å; W485-S488 PolarHBondContact O-N 3.08Å; W485-S488 VanDerWaalsContact O-N 3.12Å; W485-M489 HydrophobicContact CD2-CG 4.29Å; W485-M489 HydrophobicContact CZ2-SD 4.03Å; W485-M489 WeakPolarHBondContact O-CB 3.43Å; W485-M489 WeakPolarHBondContact O-CG 3.06Å; W485-M489 PolarHBondContact O-N 3.21Å; W485-L502 HydrophobicContact CH2-CB 3.96Å; W485-L502 HydrophobicContact CH2-CD1 4.5Å; W485-L502 HydrophobicContact CH2-CD2 3.31Å; W485-L502 HydrophobicContact CH2-CG 4.08Å; W485-L502 HydrophobicContact CZ2-CB 4.11Å; W485-L502 HydrophobicContact CZ2-CD2 4.28Å; W485-L502 HydrophobicContact CZ3-CD2 3.73Å; W485-Y507 HydrophobicContact CB-CD2 4.43Å; W485-Y507 HydrophobicContact CG-CD2 4.12Å; W485-F1158 AromaticContact CD2-CZ 3.92Å; W485-F1158 HydrophobicContact CD2-CZ 3.92Å; W485-F1158 HydrophobicContact CE3-CE1 4.25Å; W485-F1158 AromaticContact CE3-CE2 3.67Å; W485-F1158 HydrophobicContact CE3-CE2 3.67Å; W485-F1158 AromaticContact CE3-CZ 3.24Å; W485-F1158 HydrophobicContact CE3-CZ 3.24Å; W485-F1158 HydrophobicContact CG-CZ 4.49Å; W485-F1158 HydrophobicContact CH2-CE2 4.21Å; W485-F1158 HydrophobicContact CH2-CZ 4.48Å; W485-F1158 AromaticContact CZ3-CE2 3.43Å; W485-F1158 HydrophobicContact CZ3-CE2 3.43Å; W485-F1158 VanDerWaalsContact CZ3-CE2 3.43Å; W485-F1158 AromaticContact CZ3-CZ 3.56Å; W485-F1158 HydrophobicContact CZ3-CZ 3.56Å
486	R	58.7	Low	56.1	Low	142 Å²	142	68.7 Å²	68.7	54%	0.536	35%	0.349	S	S	.	.	H	α-helix	trans	-56.4	-43.7	175.8	-71.1	172.3	-168.3	-119.2	1.6	111.8	D482 M489 I490	D482-R486 WeakPolarHBondContact O-CB 3.3Å; D482-R486 WeakPolarHBondContact O-CG 3.45Å; D482-R486 PolarHBondContact O-N 2.69Å; D482-R486 IonicContact OD1-CZ 2.83Å; D482-R486 IonicContact OD1-NE 3.44Å; D482-R486 PolarHBondContact OD1-NE 3.38Å; D482-R486 IonicContact OD1-NH2 2.7Å; D482-R486 PolarHBondContact OD1-NH2 3.42Å; D482-R486 IonicContact OD2-CZ 3.51Å; D482-R486 IonicContact OD2-NE 2.7Å; D482-R486 PolarHBondContact OD2-NE 3.39Å; D482-R486 IonicContact OD2-NH2 3.71Å; D482-R486 PolarHBondContact OD2-NH2 2.87Å; R486-M489 CarbonylContact O-C 3.43Å; R486-M489 WeakPolarHBondContact O-CB 3.46Å; R486-M489 PolarHBondContact O-N 3.2Å; R486-I490 WeakPolarHBondContact O-CB 3.24Å; R486-I490 VanDerWaalsContact O-CD1 3.29Å; R486-I490 WeakPolarHBondContact O-CD1 3.2Å; R486-I490 WeakPolarHBondContact O-CG1 3.27Å; R486-I490 PolarHBondContact O-N 3.21Å
487	T	53.2	Low	54.8	Low	51 Å²	51	67.5 Å²	67.5	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-76.1	-27.5	179	55.5	0	0	0	0	112.7	L483 Q484 W485 I490 K491	L483-T487 HydrophobicContact CD2-CG2 3.98Å; L483-T487 HydrophobicContact CG-CG2 4.36Å; L483-T487 WeakPolarHBondContact O-CA 3.37Å; L483-T487 WeakPolarHBondContact O-CB 3.25Å; L483-T487 WeakPolarHBondContact O-CG2 3.31Å; L483-T487 PolarHBondContact O-N 2.95Å; L483-T487 PolarHBondContact O-OG1 2.83Å; Q484-T487 VanDerWaalsContact CA-OG1 3.28Å; Q484-T487 WeakPolarHBondContact CA-OG1 3.35Å; Q484-T487 PolarHBondContact O-OG1 2.98Å; W485-T487 VanDerWaalsContact C-N 3.3Å; W485-T487 PolarHBondContact O-N 2.64Å; T487-I490 PolarHBondContact O-N 3.03Å; T487-K491 WeakPolarHBondContact O-CA 3.25Å; T487-K491 VanDerWaalsContact O-CB 3.29Å; T487-K491 WeakPolarHBondContact O-CB 3.37Å; T487-K491 PolarHBondContact O-N 3.22Å
488	S	52.6	Low	53.7	Low	21 Å²	21	67.7 Å²	67.7	15%	0.147	35%	0.348	C	S	.	.	H	α-helix	trans	-68.5	-39.8	167.3	-64.1	0	0	0	0	110	Q484 W485 I490 S492 F494 R1161	Q484-S488 WeakPolarHBondContact O-CA 3.5Å; Q484-S488 WeakPolarHBondContact O-CB 3.46Å; Q484-S488 PolarHBondContact O-N 3.4Å; Q484-S488 PolarHBondContact O-OG 3.45Å; W485-S488 CarbonylContact O-C 3.52Å; W485-S488 PolarHBondContact O-N 3.08Å; W485-S488 VanDerWaalsContact O-N 3.12Å; S488-I490 VanDerWaalsContact C-N 3.26Å; S488-I490 PolarHBondContact O-N 3.21Å; S488-S492 WeakPolarHBondContact CA-OG 3.46Å; S488-S492 PolarHBondContact O-N 3.25Å; S488-S492 PolarHBondContact O-OG 2.73Å; S488-F494 WeakPolarHBondContact O-CD2 3.45Å; S488-R1161 PolarHBondContact OG-NH1 3.01Å
489	M	49	Very low	52.8	Low	52 Å²	52	70.3 Å²	70.3	26%	0.256	36%	0.359	S	S	.	.	H	α-helix	trans	-64	-30.8	172.7	-65.7	-133.2	-73.4	0	0	112.2	W485 R486 K499 L502	W485-M489 HydrophobicContact CD2-CG 4.29Å; W485-M489 HydrophobicContact CZ2-SD 4.03Å; W485-M489 WeakPolarHBondContact O-CB 3.43Å; W485-M489 WeakPolarHBondContact O-CG 3.06Å; W485-M489 PolarHBondContact O-N 3.21Å; R486-M489 CarbonylContact O-C 3.43Å; R486-M489 WeakPolarHBondContact O-CB 3.46Å; R486-M489 PolarHBondContact O-N 3.2Å; M489-K499 WeakPolarHBondContact O-CE 3.16Å; M489-L502 HydrophobicContact CG-CB 4.41Å; M489-L502 HydrophobicContact SD-CB 3.65Å
490	I	47.6	Very low	51.6	Low	120 Å²	120	69.8 Å²	69.8	62%	0.615	36%	0.358	S	S	*	.	H	α-helix	trans	-93.9	-45.3	-177.5	-65.8	161.8	0	0	0	113.1	R486 T487 S488	R486-I490 WeakPolarHBondContact O-CB 3.24Å; R486-I490 VanDerWaalsContact O-CD1 3.29Å; R486-I490 WeakPolarHBondContact O-CD1 3.2Å; R486-I490 WeakPolarHBondContact O-CG1 3.27Å; R486-I490 PolarHBondContact O-N 3.21Å; T487-I490 PolarHBondContact O-N 3.03Å; S488-I490 VanDerWaalsContact C-N 3.26Å; S488-I490 PolarHBondContact O-N 3.21Å
491	K	45	Very low	50.5	Low	180 Å²	180	67.4 Å²	67.4	78%	0.783	35%	0.345	S	S	*	.	H	α-helix	trans	-111.8	-18.8	-163.4	-81.8	-172.2	173.5	178.9	0	116.1	T487	T487-K491 WeakPolarHBondContact O-CA 3.25Å; T487-K491 VanDerWaalsContact O-CB 3.29Å; T487-K491 WeakPolarHBondContact O-CB 3.37Å; T487-K491 PolarHBondContact O-N 3.22Å
492	S	41.4	Very low	49.6	Very low	37 Å²	37	67.9 Å²	67.9	26%	0.259	35%	0.348	S	S	.	.	S	Bend	trans	-79.6	136.1	166.4	41.3	0	0	0	0	108.6	S488 F494	S488-S492 WeakPolarHBondContact CA-OG 3.46Å; S488-S492 PolarHBondContact O-N 3.25Å; S488-S492 PolarHBondContact O-OG 2.73Å; S492-F494 PolarHBondContact O-N 3.14Å; S492-F494 WeakPolarHBondContact OG-CD2 3.28Å; S492-F494 VanDerWaalsContact OG-CE2 3.28Å; S492-F494 WeakPolarHBondContact OG-CE2 3.18Å
493	S	44.8	Very low	48.5	Very low	110 Å²	110	69.4 Å²	69.4	77%	0.769	37%	0.369	S	S	*	.			trans	-63.6	51.5	170.7	57.7	0	0	0	0	111.1	D495	S493-D495 PolarHBondContact O-N 3.21Å
494	F	45.5	Very low	47.4	Very low	48 Å²	48	71.3 Å²	71.3	21%	0.211	37%	0.369	C	S	.	.			trans	-63.7	127.4	161.9	-86.4	-53.1	0	0	0	106.4	S488 S492 K499 L502 N905	S488-F494 WeakPolarHBondContact O-CD2 3.45Å; S492-F494 PolarHBondContact O-N 3.14Å; S492-F494 WeakPolarHBondContact OG-CD2 3.28Å; S492-F494 VanDerWaalsContact OG-CE2 3.28Å; S492-F494 WeakPolarHBondContact OG-CE2 3.18Å; F494-K499 HydrophobicContact CB-CG 3.96Å; F494-L502 HydrophobicContact CD2-CD1 4.02Å; F494-L502 HydrophobicContact CE2-CD1 3.75Å; F494-L502 HydrophobicContact CZ-CD1 4.03Å; F494-N905 PolarHBondContact O-OD1 2.95Å
495	D	47	Very low	46.2	Very low	47 Å²	47	72.6 Å²	72.6	25%	0.251	37%	0.371	S	S	.	.			trans	-48.4	157.6	170.2	-127.9	-18.2	0	0	0	110	S493 E497 S498 K499 D907	S493-D495 PolarHBondContact O-N 3.21Å; D495-E497 HydrophobicContact CB-CB 4.12Å; D495-E497 CarbonylContact O-C 3.6Å; D495-E497 PolarHBondContact O-N 3.35Å; D495-S498 PolarHBondContact O-N 3.42Å; D495-K499 PolarHBondContact O-N 3.07Å; D495-D907 VanDerWaalsContact OD1-CG 3.22Å
496	L	47.9	Very low	45.6	Very low	99 Å²	99	78.2 Å²	78.2	52%	0.518	40%	0.402	S	S	.	.	H	α-helix	trans	-54.6	-32.3	175.4	-171.9	68.9	0	0	0	109	K499 V500 N905	L496-K499 PolarHBondContact O-N 3.26Å; L496-V500 HydrophobicContact CD1-CG2 4.09Å; L496-V500 HydrophobicContact CG-CG2 4.08Å; L496-V500 WeakPolarHBondContact O-CB 3.35Å; L496-V500 VanDerWaalsContact O-CG2 3.27Å; L496-V500 WeakPolarHBondContact O-CG2 3.13Å; L496-V500 PolarHBondContact O-N 2.97Å; L496-N905 WeakPolarHBondContact CA-ND2 3.49Å; L496-N905 PolarHBondContact N-ND2 3.2Å
497	E	43.7	Very low	45.1	Very low	65 Å²	65	73.3 Å²	73.3	30%	0.304	38%	0.384	S	S	.	.	H	α-helix	trans	-52.1	-56.3	170.1	-157.2	-175.3	-177.8	0	0	112.6	D495 K499 M501 F1023 L1027	D495-E497 HydrophobicContact CB-CB 4.12Å; D495-E497 CarbonylContact O-C 3.6Å; D495-E497 PolarHBondContact O-N 3.35Å; E497-K499 PolarHBondContact O-N 3.41Å; E497-M501 WeakPolarHBondContact O-CA 3.42Å; E497-M501 WeakPolarHBondContact O-CB 3.37Å; E497-M501 WeakPolarHBondContact O-CG 3.4Å; E497-M501 PolarHBondContact O-N 3.45Å; E497-F1023 HydrophobicContact CB-CZ 4.18Å; E497-F1023 HydrophobicContact CG-CE1 3.38Å; E497-F1023 HydrophobicContact CG-CZ 3.38Å; E497-F1023 VanDerWaalsContact O-CZ 3.22Å; E497-F1023 WeakPolarHBondContact O-CZ 3.22Å; E497-L1027 HydrophobicContact CG-CD1 3.72Å; E497-L1027 HydrophobicContact CG-CD2 4.1Å; E497-L1027 HydrophobicContact CG-CG 4.49Å; E497-L1027 WeakPolarHBondContact OE1-CD1 3.45Å
498	S	41.3	Very low	44.8	Very low	39 Å²	39	73.1 Å²	73.1	27%	0.273	38%	0.384	S	S	.	.	H	α-helix	trans	-70.6	-32.1	-178.9	-71.2	0	0	0	0	113.8	D495 M501 L502	D495-S498 PolarHBondContact O-N 3.42Å; S498-M501 WeakPolarHBondContact O-CB 2.99Å; S498-L502 WeakPolarHBondContact O-CB 3.28Å; S498-L502 WeakPolarHBondContact O-CD1 3.21Å; S498-L502 WeakPolarHBondContact O-CG 3.21Å; S498-L502 PolarHBondContact O-N 2.9Å
499	K	45.4	Very low	44.7	Very low	65 Å²	65	73.3 Å²	73.3	28%	0.283	38%	0.382	S	S	.	.	H	α-helix	trans	-72.1	-40	176.4	-84.7	178.6	179.6	168.9	0	112.4	M489 F494 D495 L496 E497 G503	M489-K499 WeakPolarHBondContact O-CE 3.16Å; F494-K499 HydrophobicContact CB-CG 3.96Å; D495-K499 PolarHBondContact O-N 3.07Å; L496-K499 PolarHBondContact O-N 3.26Å; E497-K499 PolarHBondContact O-N 3.41Å; K499-G503 WeakPolarHBondContact O-CA 3.4Å; K499-G503 PolarHBondContact O-N 3.08Å
500	V	45	Very low	44.8	Very low	58 Å²	58	79.8 Å²	79.8	35%	0.352	41%	0.412	S	S	.	.	H	α-helix	trans	-73.2	-38	174.2	179.2	0	0	0	0	110	L496 L502 G503 Y504 F1023	L496-V500 HydrophobicContact CD1-CG2 4.09Å; L496-V500 HydrophobicContact CG-CG2 4.08Å; L496-V500 WeakPolarHBondContact O-CB 3.35Å; L496-V500 VanDerWaalsContact O-CG2 3.27Å; L496-V500 WeakPolarHBondContact O-CG2 3.13Å; L496-V500 PolarHBondContact O-N 2.97Å; V500-L502 VanDerWaalsContact C-N 3.33Å; V500-L502 PolarHBondContact O-N 3.31Å; V500-G503 PolarHBondContact O-N 3.3Å; V500-Y504 PolarHBondContact O-N 2.71Å; V500-F1023 HydrophobicContact CB-CD2 4.45Å; V500-F1023 HydrophobicContact CB-CE2 3.7Å; V500-F1023 HydrophobicContact CG1-CD2 3.91Å; V500-F1023 HydrophobicContact CG1-CE2 3.55Å
501	M	42.2	Very low	44.9	Very low	38 Å²	38	77.2 Å²	77.2	19%	0.187	40%	0.398	C	S	.	.	H	α-helix	trans	-52.9	-45.4	169.8	-83.2	-82.9	-152.5	0	0	112.9	E497 S498 W505 F1023	E497-M501 WeakPolarHBondContact O-CA 3.42Å; E497-M501 WeakPolarHBondContact O-CB 3.37Å; E497-M501 WeakPolarHBondContact O-CG 3.4Å; E497-M501 PolarHBondContact O-N 3.45Å; S498-M501 WeakPolarHBondContact O-CB 2.99Å; M501-W505 VanDerWaalsContact O-CD1 3.28Å; M501-F1023 HydrophobicContact CE-CD1 3.27Å; M501-F1023 HydrophobicContact CE-CE1 3.41Å; M501-F1023 VanDerWaalsContact CE-CE1 3.41Å; M501-F1023 HydrophobicContact CE-CG 4.36Å; M501-F1023 HydrophobicContact CG-CD1 3.5Å; M501-F1023 VanDerWaalsContact CG-CD1 3.5Å; M501-F1023 HydrophobicContact CG-CD2 4.26Å; M501-F1023 HydrophobicContact CG-CE1 3.29Å; M501-F1023 HydrophobicContact CG-CE2 4.09Å; M501-F1023 HydrophobicContact CG-CG 3.99Å; M501-F1023 HydrophobicContact CG-CZ 3.62Å; M501-F1023 HydrophobicContact SD-CB 4.28Å; M501-F1023 HydrophobicContact SD-CD1 3.1Å; M501-F1023 WeakPolarHBondContact SD-CD1 2.96Å; M501-F1023 HydrophobicContact SD-CD2 4.45Å; M501-F1023 HydrophobicContact SD-CE1 3.54Å; M501-F1023 VanDerWaalsContact SD-CE1 3.54Å; M501-F1023 HydrophobicContact SD-CG 3.64Å; M501-F1023 HydrophobicContact SD-CZ 4.37Å
502	L	46	Very low	45.8	Very low	24 Å²	24	70.7 Å²	70.7	13%	0.126	38%	0.376	C	S	.	.	H	α-helix	trans	-84.9	-27.9	-179	-61.6	167	0	0	0	112.1	W485 M489 F494 S498 V500 Y504 W505	W485-L502 HydrophobicContact CH2-CB 3.96Å; W485-L502 HydrophobicContact CH2-CD1 4.5Å; W485-L502 HydrophobicContact CH2-CD2 3.31Å; W485-L502 HydrophobicContact CH2-CG 4.08Å; W485-L502 HydrophobicContact CZ2-CB 4.11Å; W485-L502 HydrophobicContact CZ2-CD2 4.28Å; W485-L502 HydrophobicContact CZ3-CD2 3.73Å; M489-L502 HydrophobicContact CG-CB 4.41Å; M489-L502 HydrophobicContact SD-CB 3.65Å; F494-L502 HydrophobicContact CD2-CD1 4.02Å; F494-L502 HydrophobicContact CE2-CD1 3.75Å; F494-L502 HydrophobicContact CZ-CD1 4.03Å; S498-L502 WeakPolarHBondContact O-CB 3.28Å; S498-L502 WeakPolarHBondContact O-CD1 3.21Å; S498-L502 WeakPolarHBondContact O-CG 3.21Å; S498-L502 PolarHBondContact O-N 2.9Å; V500-L502 VanDerWaalsContact C-N 3.33Å; V500-L502 PolarHBondContact O-N 3.31Å; L502-Y504 VanDerWaalsContact C-N 3.32Å; L502-Y504 PolarHBondContact O-N 2.9Å; L502-W505 PolarHBondContact O-N 2.85Å
503	G	41.5	Very low	47.1	Very low	52 Å²	52	70.6 Å²	70.6	54%	0.536	37%	0.37	S	S	.	.	H	α-helix	trans	-71.4	-21.2	-177.6	0	0	0	0	0	114.7	K499 V500 W505	K499-G503 WeakPolarHBondContact O-CA 3.4Å; K499-G503 PolarHBondContact O-N 3.08Å; V500-G503 PolarHBondContact O-N 3.3Å; G503-W505 VanDerWaalsContact C-N 3.28Å; G503-W505 PolarHBondContact O-N 3.35Å
504	Y	42.1	Very low	48.2	Very low	143 Å²	143	68.9 Å²	68.9	56%	0.561	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-5.2	178.3	-125	-88.8	0	0	0	114.3	V500 L502	V500-Y504 PolarHBondContact O-N 2.71Å; L502-Y504 VanDerWaalsContact C-N 3.32Å; L502-Y504 PolarHBondContact O-N 2.9Å
505	W	34.7	Very low	49.3	Very low	112 Å²	112	72.5 Å²	72.5	42%	0.424	36%	0.364	S	S	.	.	S	Bend	trans	-117.3	127.4	-177.3	-61.7	98.3	0	0	0	111.2	M501 L502 G503 Y1147	M501-W505 VanDerWaalsContact O-CD1 3.28Å; L502-W505 PolarHBondContact O-N 2.85Å; G503-W505 VanDerWaalsContact C-N 3.28Å; G503-W505 PolarHBondContact O-N 3.35Å; W505-Y1147 AromaticContact CH2-CD2 3.56Å; W505-Y1147 HydrophobicContact CH2-CD2 3.56Å; W505-Y1147 AromaticContact CH2-CE2 3.45Å; W505-Y1147 HydrophobicContact CH2-CE2 3.45Å; W505-Y1147 VanDerWaalsContact CH2-CE2 3.45Å; W505-Y1147 HydrophobicContact CZ2-CD2 4.3Å; W505-Y1147 HydrophobicContact CZ2-CE2 4.48Å; W505-Y1147 HydrophobicContact CZ3-CD2 4.21Å; W505-Y1147 AromaticContact CZ3-CE2 3.62Å; W505-Y1147 HydrophobicContact CZ3-CE2 3.62Å
506	D	42.9	Very low	50.5	Low	139 Å²	139	70.5 Å²	70.5	74%	0.743	35%	0.353	S	S	*	.			trans	-54.3	144.4	158.6	-80	-35.1	0	0	0	108.5	P508	D506-P508 WeakPolarHBondContact O-CD 3.24Å
507	Y	47.9	Very low	52	Low	39 Å²	39	67.3 Å²	67.3	15%	0.153	33%	0.334	C	S	.	.			trans	-46.6	116.7	171.5	179.5	-103	0	0	0	108.6	W485 F509 F1158 F1186	W485-Y507 HydrophobicContact CB-CD2 4.43Å; W485-Y507 HydrophobicContact CG-CD2 4.12Å; Y507-F509 HydrophobicContact CD1-CB 4.19Å; Y507-F509 WeakPolarHBondContact CD1-O 3.48Å; Y507-F509 HydrophobicContact CE1-CB 3.75Å; Y507-F509 AromaticContact CE1-CD2 3.9Å; Y507-F509 HydrophobicContact CE1-CD2 3.9Å; Y507-F509 HydrophobicContact CE1-CG 4.33Å; Y507-F509 HydrophobicContact CE2-CD2 4.35Å; Y507-F509 AromaticContact CZ-CD2 3.79Å; Y507-F509 PolarHBondContact O-N 3.42Å; Y507-F1158 HydrophobicContact CD2-CZ 4.47Å; Y507-F1158 HydrophobicContact CE2-CE1 4.12Å; Y507-F1158 HydrophobicContact CE2-CZ 4.02Å; Y507-F1186 HydrophobicContact CE1-CZ 4.39Å; Y507-F1186 VanDerWaalsContact OH-CE2 3.27Å; Y507-F1186 WeakPolarHBondContact OH-CE2 3.46Å; Y507-F1186 VanDerWaalsContact OH-CZ 3.24Å; Y507-F1186 WeakPolarHBondContact OH-CZ 3.27Å
508	P	47.5	Very low	53.6	Low	48 Å²	48	70.2 Å²	70.2	31%	0.312	35%	0.346	S	S	.	.	S	Bend	trans	-70.1	-4.8	-157.3	22.4	-32.6	0	0	0	114.3	D506 L1151	D506-P508 WeakPolarHBondContact O-CD 3.24Å; P508-L1151 HydrophobicContact CB-CD2 4.47Å
509	F	51.1	Low	55.4	Low	25 Å²	25	71.8 Å²	71.8	11%	0.11	35%	0.351	C	S	.	.	S	Bend	trans	-106	123.2	-178.2	-52.7	-70.3	0	0	0	110.1	Y507 I511 E1155 F1186	Y507-F509 HydrophobicContact CD1-CB 4.19Å; Y507-F509 WeakPolarHBondContact CD1-O 3.48Å; Y507-F509 HydrophobicContact CE1-CB 3.75Å; Y507-F509 AromaticContact CE1-CD2 3.9Å; Y507-F509 HydrophobicContact CE1-CD2 3.9Å; Y507-F509 HydrophobicContact CE1-CG 4.33Å; Y507-F509 HydrophobicContact CE2-CD2 4.35Å; Y507-F509 AromaticContact CZ-CD2 3.79Å; Y507-F509 PolarHBondContact O-N 3.42Å; F509-I511 PolarHBondContact O-N 2.76Å; F509-E1155 HydrophobicContact CZ-CG 4.45Å; F509-F1186 HydrophobicContact CB-CD1 3.91Å; F509-F1186 HydrophobicContact CB-CE1 3.65Å; F509-F1186 HydrophobicContact CB-CZ 4.03Å; F509-F1186 HydrophobicContact CD1-CB 3.9Å; F509-F1186 AromaticContact CD1-CD1 3.72Å; F509-F1186 HydrophobicContact CD1-CD1 3.72Å; F509-F1186 HydrophobicContact CD1-CD2 4.22Å; F509-F1186 HydrophobicContact CD1-CE1 4.31Å; F509-F1186 AromaticContact CD1-CG 3.68Å; F509-F1186 HydrophobicContact CD1-CG 3.68Å; F509-F1186 HydrophobicContact CD2-CD1 4.25Å; F509-F1186 AromaticContact CD2-CD2 3.74Å; F509-F1186 HydrophobicContact CD2-CD2 3.74Å; F509-F1186 HydrophobicContact CD2-CE1 4.22Å; F509-F1186 AromaticContact CD2-CE2 3.67Å; F509-F1186 HydrophobicContact CD2-CE2 3.67Å; F509-F1186 HydrophobicContact CD2-CG 4.03Å; F509-F1186 AromaticContact CD2-CZ 3.95Å; F509-F1186 HydrophobicContact CD2-CZ 3.95Å; F509-F1186 HydrophobicContact CE1-CB 3.64Å; F509-F1186 HydrophobicContact CE1-CD1 4.32Å; F509-F1186 HydrophobicContact CE1-CD2 4.2Å; F509-F1186 AromaticContact CE1-CG 3.81Å; F509-F1186 HydrophobicContact CE1-CG 3.81Å; F509-F1186 AromaticContact CE2-CD2 3.7Å; F509-F1186 HydrophobicContact CE2-CD2 3.7Å; F509-F1186 AromaticContact CE2-CE2 3.98Å; F509-F1186 HydrophobicContact CE2-CE2 3.98Å; F509-F1186 HydrophobicContact CE2-CG 4.13Å; F509-F1186 AromaticContact CG-CD1 3.67Å; F509-F1186 HydrophobicContact CG-CD1 3.67Å; F509-F1186 HydrophobicContact CG-CD2 4Å; F509-F1186 AromaticContact CG-CE1 3.8Å; F509-F1186 HydrophobicContact CG-CE1 3.8Å; F509-F1186 HydrophobicContact CG-CE2 4.08Å; F509-F1186 AromaticContact CG-CG 3.8Å; F509-F1186 HydrophobicContact CG-CG 3.8Å; F509-F1186 HydrophobicContact CG-CZ 4.01Å; F509-F1186 HydrophobicContact CZ-CB 4.03Å; F509-F1186 AromaticContact CZ-CD2 3.93Å; F509-F1186 HydrophobicContact CZ-CD2 3.93Å; F509-F1186 HydrophobicContact CZ-CG 4.02Å
510	Q	50.6	Low	57.1	Low	187 Å²	187	68.7 Å²	68.7	87%	0.874	34%	0.337	S	S	*	.			trans	-54.4	112.3	169	-109	179.6	-10.9	0	0	108.7	S512	Q510-S512 PolarHBondContact O-N 3.32Å
511	I	49.2	Very low	58.9	Low	66 Å²	66	72.6 Å²	72.6	34%	0.338	35%	0.346	S	S	.	.			trans	-57.9	104.1	176.2	-57.7	164.7	0	0	0	107.6	F509 R514 Q515	F509-I511 PolarHBondContact O-N 2.76Å; I511-R514 HydrophobicContact CG2-CB 3.75Å; I511-Q515 HydrophobicContact CG2-CG 4.07Å
512	S	65	Low	60.8	Low	44 Å²	44	76.3 Å²	76.3	31%	0.308	37%	0.367	S	S	.	.			trans	-109.7	-50.6	179.5	-160.7	0	0	0	0	110.3	Q510 Q515 L516	Q510-S512 PolarHBondContact O-N 3.32Å; S512-Q515 PolarHBondContact O-N 3.12Å; S512-L516 VanDerWaalsContact O-CB 3.23Å; S512-L516 WeakPolarHBondContact O-CB 3.45Å; S512-L516 VanDerWaalsContact O-CD1 3.31Å; S512-L516 WeakPolarHBondContact O-CD1 3.33Å; S512-L516 WeakPolarHBondContact O-CG 3.41Å; S512-L516 PolarHBondContact O-N 3.35Å; S512-L516 VanDerWaalsContact OG-CD1 3.31Å; S512-L516 WeakPolarHBondContact OG-CD1 3.33Å
513	Y	67.6	Low	62.6	Low	34 Å²	34	76.9 Å²	76.9	13%	0.133	37%	0.371	C	S	.	.	H	α-helix	trans	-72.9	-36.8	-168.7	-62	-69.7	0	0	0	113.5	F471 L474 E478 Q515 L516 W517 L572	F471-Y513 AromaticContact CD1-CD1 3.98Å; F471-Y513 HydrophobicContact CD1-CD1 3.98Å; F471-Y513 HydrophobicContact CD1-CE1 4.41Å; F471-Y513 HydrophobicContact CE1-CD1 4.2Å; F471-Y513 HydrophobicContact CE1-CE1 4.22Å; L474-Y513 HydrophobicContact CB-CD1 4.28Å; L474-Y513 HydrophobicContact CB-CD2 4.15Å; L474-Y513 HydrophobicContact CB-CG 3.85Å; L474-Y513 HydrophobicContact CD1-CD1 4.03Å; L474-Y513 HydrophobicContact CD1-CD2 4.29Å; L474-Y513 HydrophobicContact CD1-CE1 3.91Å; L474-Y513 HydrophobicContact CD1-CE2 4.19Å; L474-Y513 HydrophobicContact CD1-CG 4.21Å; L474-Y513 HydrophobicContact CD2-CD2 4.21Å; L474-Y513 HydrophobicContact CD2-CE2 4.28Å; L474-Y513 HydrophobicContact CG-CD2 4.48Å; E478-Y513 VanDerWaalsContact OE1-CD2 3.28Å; E478-Y513 WeakPolarHBondContact OE1-CD2 3.27Å; E478-Y513 PolarHBondContact OE1-N 2.71Å; E478-Y513 VanDerWaalsContact OE1-N 3.11Å; E478-Y513 PolarHBondContact OE2-N 3.32Å; Y513-Q515 PolarHBondContact O-N 2.65Å; Y513-L516 HydrophobicContact CD1-CD1 3.92Å; Y513-L516 HydrophobicContact CE1-CD1 4.36Å; Y513-L516 WeakPolarHBondContact O-CB 3.28Å; Y513-L516 PolarHBondContact O-N 2.83Å; Y513-W517 VanDerWaalsContact O-CB 3.23Å; Y513-W517 WeakPolarHBondContact O-CB 3.48Å; Y513-W517 PolarHBondContact O-N 3.37Å; Y513-L572 WeakPolarHBondContact OH-CD2 3.23Å
514	R	68.2	Low	64.6	Low	75 Å²	75	75.7 Å²	75.7	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-58.6	-47.1	172.5	179.5	-166.2	-73.5	179.2	-4.2	111.5	E478 D479 D482 I511 K518	E478-R514 WeakPolarHBondContact OE2-CB 3.29Å; E478-R514 PolarHBondContact OE2-N 3.46Å; D479-R514 IonicContact OD1-CZ 3.21Å; D479-R514 IonicContact OD1-NE 2.73Å; D479-R514 PolarHBondContact OD1-NE 2.81Å; D479-R514 IonicContact OD1-NH2 2.79Å; D479-R514 PolarHBondContact OD1-NH2 3.46Å; D482-R514 IonicContact OD2-CZ 3.12Å; D482-R514 IonicContact OD2-NH1 3.01Å; D482-R514 PolarHBondContact OD2-NH1 3.39Å; D482-R514 IonicContact OD2-NH2 3.72Å; D482-R514 PolarHBondContact OD2-NH2 2.71Å; I511-R514 HydrophobicContact CG2-CB 3.75Å; R514-K518 WeakPolarHBondContact O-CB 3.39Å; R514-K518 PolarHBondContact O-N 2.73Å
515	Q	69	Low	66.6	Low	124 Å²	124	71.4 Å²	71.4	58%	0.579	34%	0.344	S	S	*	.	H	α-helix	trans	-69	-42.2	180	-66.6	-176.1	16.7	0	0	111	I511 S512 Y513 K518 L519	I511-Q515 HydrophobicContact CG2-CG 4.07Å; S512-Q515 PolarHBondContact O-N 3.12Å; Y513-Q515 PolarHBondContact O-N 2.65Å; Q515-K518 PolarHBondContact O-N 2.73Å; Q515-L519 WeakPolarHBondContact O-CB 3.32Å; Q515-L519 PolarHBondContact O-N 2.83Å
516	L	72.7	Confident	68.9	Low	5 Å²	5	66 Å²	66	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-56.6	-50.4	173.9	-77.8	164.8	0	0	0	111.8	F452 Y459 S512 Y513 K518 L519 M520	F452-L516 HydrophobicContact CB-CD2 4.22Å; F452-L516 HydrophobicContact CD1-CD1 4.2Å; F452-L516 HydrophobicContact CD1-CD2 3.14Å; F452-L516 HydrophobicContact CD1-CG 4.29Å; F452-L516 HydrophobicContact CD2-CD1 4.04Å; F452-L516 HydrophobicContact CD2-CD2 4.4Å; F452-L516 HydrophobicContact CE1-CD1 4.19Å; F452-L516 HydrophobicContact CE1-CD2 3.4Å; F452-L516 HydrophobicContact CE1-CG 4.47Å; F452-L516 HydrophobicContact CE2-CD1 4.06Å; F452-L516 HydrophobicContact CG-CD1 4.1Å; F452-L516 HydrophobicContact CG-CD2 3.69Å; F452-L516 HydrophobicContact CG-CG 4.48Å; F452-L516 HydrophobicContact CZ-CD1 4.12Å; F452-L516 HydrophobicContact CZ-CD2 4.14Å; Y459-L516 HydrophobicContact CE2-CD2 3.53Å; Y459-L516 WeakPolarHBondContact OH-CD2 3.34Å; S512-L516 VanDerWaalsContact O-CB 3.23Å; S512-L516 WeakPolarHBondContact O-CB 3.45Å; S512-L516 VanDerWaalsContact O-CD1 3.31Å; S512-L516 WeakPolarHBondContact O-CD1 3.33Å; S512-L516 WeakPolarHBondContact O-CG 3.41Å; S512-L516 PolarHBondContact O-N 3.35Å; S512-L516 VanDerWaalsContact OG-CD1 3.31Å; S512-L516 WeakPolarHBondContact OG-CD1 3.33Å; Y513-L516 HydrophobicContact CD1-CD1 3.92Å; Y513-L516 HydrophobicContact CE1-CD1 4.36Å; Y513-L516 WeakPolarHBondContact O-CB 3.28Å; Y513-L516 PolarHBondContact O-N 2.83Å; L516-K518 VanDerWaalsContact C-N 3.33Å; L516-K518 PolarHBondContact O-N 3.36Å; L516-L519 WeakPolarHBondContact O-CB 3.39Å; L516-L519 PolarHBondContact O-N 2.67Å; L516-M520 HydrophobicContact CB-CE 4.47Å; L516-M520 HydrophobicContact CD2-CE 4.49Å; L516-M520 VanDerWaalsContact O-CG 3.31Å; L516-M520 WeakPolarHBondContact O-CG 3.41Å; L516-M520 PolarHBondContact O-N 2.82Å
517	W	77.9	Confident	70.6	Confident	31 Å²	31	64.6 Å²	64.6	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-36.7	-178.2	-174.4	-132.6	0	0	0	112.3	V461 G468 F471 A475 Y513 M520 R521 M525	V461-W517 HydrophobicContact CG2-CZ3 4.06Å; G468-W517 WeakPolarHBondContact O-CH2 3.3Å; G468-W517 WeakPolarHBondContact O-CZ3 3.41Å; F471-W517 HydrophobicContact CB-CD2 4.46Å; F471-W517 HydrophobicContact CB-CE3 3.58Å; F471-W517 HydrophobicContact CB-CZ3 4.02Å; A475-W517 HydrophobicContact CB-CB 3.72Å; A475-W517 HydrophobicContact CB-CG 4.01Å; Y513-W517 VanDerWaalsContact O-CB 3.23Å; Y513-W517 WeakPolarHBondContact O-CB 3.48Å; Y513-W517 PolarHBondContact O-N 3.37Å; W517-M520 HydrophobicContact CE3-CB 4.5Å; W517-M520 HydrophobicContact CE3-SD 4.24Å; W517-R521 PolarHBondContact O-N 2.68Å; W517-M525 HydrophobicContact CH2-CE 4.19Å; W517-M525 HydrophobicContact CH2-SD 3.78Å; W517-M525 HydrophobicContact CZ3-SD 4.05Å
518	K	78.4	Confident	72	Confident	126 Å²	126	66 Å²	66	55%	0.548	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-47	171.5	-173.6	178.9	177.1	-178.1	0	111.1	R514 Q515 L516 M520 R521 D522	R514-K518 WeakPolarHBondContact O-CB 3.39Å; R514-K518 PolarHBondContact O-N 2.73Å; Q515-K518 PolarHBondContact O-N 2.73Å; L516-K518 VanDerWaalsContact C-N 3.33Å; L516-K518 PolarHBondContact O-N 3.36Å; K518-M520 PolarHBondContact O-N 2.88Å; K518-R521 PolarHBondContact O-N 3.07Å; K518-D522 PolarHBondContact O-N 3.38Å
519	L	77.7	Confident	73.6	Confident	72 Å²	72	67.4 Å²	67.4	38%	0.377	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-43.6	178.4	-175.9	68.6	0	0	0	112.1	Y459 Q515 L516 R521 D522 V523	Y459-L519 HydrophobicContact CE1-CD2 3.96Å; Y459-L519 HydrophobicContact CE2-CD2 4.21Å; Y459-L519 WeakPolarHBondContact OH-CD2 3.45Å; Q515-L519 WeakPolarHBondContact O-CB 3.32Å; Q515-L519 PolarHBondContact O-N 2.83Å; L516-L519 WeakPolarHBondContact O-CB 3.39Å; L516-L519 PolarHBondContact O-N 2.67Å; L519-R521 VanDerWaalsContact C-N 3.28Å; L519-R521 PolarHBondContact O-N 2.81Å; L519-D522 PolarHBondContact O-N 3.21Å; L519-V523 HydrophobicContact CD1-CG2 4.33Å; L519-V523 HydrophobicContact CG-CG2 4.34Å; L519-V523 WeakPolarHBondContact O-CB 3.28Å; L519-V523 VanDerWaalsContact O-CG2 3.27Å; L519-V523 WeakPolarHBondContact O-CG2 3.17Å; L519-V523 PolarHBondContact O-N 3.38Å
520	M	82.2	Confident	75	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-36.9	177.8	-69.4	-179.7	-164.8	0	0	112	Y459 V461 F471 L516 W517 K518 G524 I549	Y459-M520 HydrophobicContact CD2-CE 3.86Å; Y459-M520 HydrophobicContact CD2-CG 4.11Å; Y459-M520 HydrophobicContact CE2-CE 3.8Å; Y459-M520 HydrophobicContact CE2-CG 4.25Å; V461-M520 HydrophobicContact CG1-SD 4.15Å; V461-M520 HydrophobicContact CG2-SD 3.93Å; F471-M520 HydrophobicContact CB-SD 4.32Å; F471-M520 HydrophobicContact CD1-CE 3.9Å; F471-M520 HydrophobicContact CD2-CE 3.74Å; F471-M520 HydrophobicContact CD2-SD 3.9Å; F471-M520 HydrophobicContact CE1-CE 3.9Å; F471-M520 HydrophobicContact CE2-CE 3.75Å; F471-M520 HydrophobicContact CE2-SD 4.4Å; F471-M520 HydrophobicContact CG-CE 3.83Å; F471-M520 HydrophobicContact CG-SD 4.06Å; F471-M520 HydrophobicContact CZ-CE 3.84Å; L516-M520 HydrophobicContact CB-CE 4.47Å; L516-M520 HydrophobicContact CD2-CE 4.49Å; L516-M520 VanDerWaalsContact O-CG 3.31Å; L516-M520 WeakPolarHBondContact O-CG 3.41Å; L516-M520 PolarHBondContact O-N 2.82Å; W517-M520 HydrophobicContact CE3-CB 4.5Å; W517-M520 HydrophobicContact CE3-SD 4.24Å; K518-M520 PolarHBondContact O-N 2.88Å; M520-G524 PolarHBondContact O-N 3.47Å; M520-I549 HydrophobicContact CE-CD1 3.97Å
521	R	82.6	Confident	76.7	Confident	140 Å²	140	65.4 Å²	65.4	53%	0.528	33%	0.331	S	S	.	.	H	α-helix	trans	-67.4	-44.1	172.3	-88.5	-174	-85.4	147.9	-10.4	112.1	W517 K518 L519 V523 G524 M525	W517-R521 PolarHBondContact O-N 2.68Å; K518-R521 PolarHBondContact O-N 3.07Å; L519-R521 VanDerWaalsContact C-N 3.28Å; L519-R521 PolarHBondContact O-N 2.81Å; R521-V523 VanDerWaalsContact C-N 3.33Å; R521-V523 PolarHBondContact O-N 2.91Å; R521-G524 PolarHBondContact O-N 3.47Å; R521-G524 VanDerWaalsContact O-N 3.11Å; R521-M525 HydrophobicContact CG-CE 4.24Å
522	D	81.9	Confident	78.3	Confident	117 Å²	117	62.2 Å²	62.2	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-65.9	-34.4	-179.9	-68.6	-14.5	0	0	0	112.2	K518 L519 G524	K518-D522 PolarHBondContact O-N 3.38Å; L519-D522 PolarHBondContact O-N 3.21Å; D522-G524 VanDerWaalsContact C-N 3.27Å; D522-G524 PolarHBondContact O-N 3.28Å
523	V	83.4	Confident	79.3	Confident	36 Å²	36	61 Å²	61	22%	0.218	31%	0.306	C	S	.	.	H	α-helix	trans	-71.7	-22.1	174.7	171.2	0	0	0	0	112.1	K458 L519 R521 F546	K458-V523 HydrophobicContact CB-CG1 4.04Å; K458-V523 HydrophobicContact CB-CG2 4.01Å; K458-V523 HydrophobicContact CD-CG2 4.38Å; K458-V523 HydrophobicContact CG-CG2 4.28Å; L519-V523 HydrophobicContact CD1-CG2 4.33Å; L519-V523 HydrophobicContact CG-CG2 4.34Å; L519-V523 WeakPolarHBondContact O-CB 3.28Å; L519-V523 VanDerWaalsContact O-CG2 3.27Å; L519-V523 WeakPolarHBondContact O-CG2 3.17Å; L519-V523 PolarHBondContact O-N 3.38Å; R521-V523 VanDerWaalsContact C-N 3.33Å; R521-V523 PolarHBondContact O-N 2.91Å; V523-F546 HydrophobicContact CG1-CD2 4.18Å; V523-F546 HydrophobicContact CG1-CE2 3.87Å
524	G	83.9	Confident	80.2	Confident	26 Å²	26	63 Å²	63	27%	0.268	32%	0.324	S	S	.	.			trans	81.8	119.1	-174.3	0	0	0	0	0	112	S460 M520 R521 D522 R535	S460-G524 PolarHBondContact OG-O 2.76Å; S460-G524 VanDerWaalsContact OG-O 3.11Å; M520-G524 PolarHBondContact O-N 3.47Å; R521-G524 PolarHBondContact O-N 3.47Å; R521-G524 VanDerWaalsContact O-N 3.11Å; D522-G524 VanDerWaalsContact C-N 3.27Å; D522-G524 PolarHBondContact O-N 3.28Å; G524-R535 PolarHBondContact O-NH1 3.14Å
525	M	84.8	Confident	81.2	Confident	53 Å²	53	63 Å²	63	26%	0.261	32%	0.324	S	S	.	.			trans	-78.1	130.5	177.6	-69.1	-177.8	-68.7	0	0	110.5	V461 A463 W517 R521	V461-M525 HydrophobicContact CG2-CG 4.39Å; V461-M525 HydrophobicContact CG2-SD 3.9Å; V461-M525 VanDerWaalsContact O-CB 3.24Å; V461-M525 WeakPolarHBondContact O-CB 3.12Å; V461-M525 VanDerWaalsContact O-CG 3.3Å; V461-M525 WeakPolarHBondContact O-CG 3.39Å; A463-M525 HydrophobicContact CB-CB 4.13Å; W517-M525 HydrophobicContact CH2-CE 4.19Å; W517-M525 HydrophobicContact CH2-SD 3.78Å; W517-M525 HydrophobicContact CZ3-SD 4.05Å; R521-M525 HydrophobicContact CG-CE 4.24Å
526	P	83.3	Confident	82.1	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.			trans	-64.3	147.3	172.3	26	-33.4	0	0	0	110.8	S460 V461 V462 A463 E531 A532	S460-P526 WeakPolarHBondContact OG-CD 3.38Å; V461-P526 WeakPolarHBondContact O-CD 3.22Å; V462-P526 VanDerWaalsContact CA-O 3.32Å; V462-P526 WeakPolarHBondContact CA-O 3.46Å; V462-P526 HydrophobicContact CG2-CB 4.49Å; V462-P526 HydrophobicContact CG2-CG 3.94Å; A463-P526 PolarHBondContact N-O 2.64Å; P526-E531 VanDerWaalsContact CA-OE2 3.28Å; P526-E531 WeakPolarHBondContact CA-OE2 3.44Å; P526-E531 HydrophobicContact CB-CB 4.15Å; P526-E531 HydrophobicContact CB-CG 4.18Å; P526-A532 HydrophobicContact CB-CB 3.94Å; P526-A532 HydrophobicContact CG-CB 3.59Å
527	T	78.2	Confident	82.8	Confident	108 Å²	108	59.3 Å²	59.3	66%	0.663	31%	0.309	S	S	*	.	S	Bend	trans	-89.3	-26.3	178.2	56.1	0	0	0	0	112.3	E531	T527-E531 PolarHBondContact N-OE2 2.94Å; T527-E531 PolarHBondContact OG1-OE2 3.24Å
528	T	77.2	Confident	83.2	Confident	70 Å²	70	61.5 Å²	61.5	43%	0.429	33%	0.333	S	S	.	.	S	Bend	trans	-125.2	156.9	177.1	66.9	0	0	0	0	111.7	D530 E531 A532	T528-D530 VanDerWaalsContact C-N 3.28Å; T528-D530 PolarHBondContact O-N 3.2Å; T528-E531 PolarHBondContact O-N 2.8Å; T528-E531 WeakPolarHBondContact OG1-CB 3.16Å; T528-E531 PolarHBondContact OG1-N 2.98Å; T528-A532 PolarHBondContact O-N 2.89Å
529	I	80.2	Confident	83.4	Confident	76 Å²	76	55.8 Å²	55.8	39%	0.39	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-37.8	176.2	-63.4	172.8	0	0	0	110.4	V462 E531 A532 V533 F548 T554 L558	V462-I529 HydrophobicContact CG2-CG1 4.42Å; I529-E531 PolarHBondContact O-N 2.8Å; I529-A532 WeakPolarHBondContact O-CB 3.4Å; I529-A532 PolarHBondContact O-N 3.39Å; I529-A532 VanDerWaalsContact O-N 3.14Å; I529-V533 HydrophobicContact CG2-CG2 4.32Å; I529-V533 WeakPolarHBondContact O-CG2 3.26Å; I529-V533 PolarHBondContact O-N 2.86Å; I529-F548 HydrophobicContact CG2-CE1 4.37Å; I529-T554 HydrophobicContact CD1-CG2 4.16Å; I529-L558 HydrophobicContact CG2-CD1 3.84Å; I529-L558 HydrophobicContact CG2-CD2 4.12Å
530	D	80.9	Confident	83.3	Confident	108 Å²	108	57.5 Å²	57.5	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-65.5	-37.4	179.5	-66	-48.6	0	0	0	112.9	T528 A532 S534	T528-D530 VanDerWaalsContact C-N 3.28Å; T528-D530 PolarHBondContact O-N 3.2Å; D530-A532 VanDerWaalsContact C-N 3.33Å; D530-S534 WeakPolarHBondContact O-CB 3.47Å; D530-S534 PolarHBondContact O-N 3.15Å; D530-S534 PolarHBondContact O-OG 3.07Å
531	E	85.7	Confident	82.6	Confident	62 Å²	62	59.1 Å²	59.1	29%	0.29	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-43.7	172.1	-171.5	-165.8	173.3	0	0	110.6	P526 T527 T528 I529 S534 R535	P526-E531 VanDerWaalsContact CA-OE2 3.28Å; P526-E531 WeakPolarHBondContact CA-OE2 3.44Å; P526-E531 HydrophobicContact CB-CB 4.15Å; P526-E531 HydrophobicContact CB-CG 4.18Å; T527-E531 PolarHBondContact N-OE2 2.94Å; T527-E531 PolarHBondContact OG1-OE2 3.24Å; T528-E531 PolarHBondContact O-N 2.8Å; T528-E531 WeakPolarHBondContact OG1-CB 3.16Å; T528-E531 PolarHBondContact OG1-N 2.98Å; I529-E531 PolarHBondContact O-N 2.8Å; E531-S534 PolarHBondContact O-N 3Å; E531-R535 WeakPolarHBondContact O-CG 3.11Å; E531-R535 PolarHBondContact O-N 3.42Å; E531-R535 IonicContact OE1-CZ 3.87Å; E531-R535 IonicContact OE1-NE 2.98Å; E531-R535 PolarHBondContact OE1-NE 3.42Å; E531-R535 IonicContact OE1-NH2 3.85Å; E531-R535 PolarHBondContact OE1-NH2 3.5Å
532	A	84.4	Confident	81.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-46.4	178.5	0	0	0	0	0	111.9	V462 P526 T528 I529 D530 S534 R535 V536 F548	V462-A532 HydrophobicContact CG2-CB 4.29Å; P526-A532 HydrophobicContact CB-CB 3.94Å; P526-A532 HydrophobicContact CG-CB 3.59Å; T528-A532 PolarHBondContact O-N 2.89Å; I529-A532 WeakPolarHBondContact O-CB 3.4Å; I529-A532 PolarHBondContact O-N 3.39Å; I529-A532 VanDerWaalsContact O-N 3.14Å; D530-A532 VanDerWaalsContact C-N 3.33Å; A532-S534 VanDerWaalsContact C-N 3.34Å; A532-S534 PolarHBondContact O-N 2.99Å; A532-R535 PolarHBondContact O-N 3.32Å; A532-V536 WeakPolarHBondContact O-CG2 3.25Å; A532-V536 PolarHBondContact O-N 3.11Å; A532-F548 HydrophobicContact CB-CB 4.32Å; A532-F548 HydrophobicContact CB-CD1 3.95Å; A532-F548 HydrophobicContact CB-CD2 3.6Å; A532-F548 HydrophobicContact CB-CE1 4.09Å; A532-F548 HydrophobicContact CB-CE2 3.8Å; A532-F548 HydrophobicContact CB-CG 3.69Å; A532-F548 HydrophobicContact CB-CZ 4Å
533	V	85.6	Confident	80.5	Confident	19 Å²	19	52.5 Å²	52.5	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-43.3	176.7	173.9	0	0	0	0	110.9	L402 I529 R535 V536 L537 L558 L565	L402-V533 HydrophobicContact CD2-CG2 4.21Å; I529-V533 HydrophobicContact CG2-CG2 4.32Å; I529-V533 WeakPolarHBondContact O-CG2 3.26Å; I529-V533 PolarHBondContact O-N 2.86Å; V533-R535 VanDerWaalsContact C-N 3.3Å; V533-R535 PolarHBondContact O-N 3.07Å; V533-V536 PolarHBondContact O-N 2.98Å; V533-V536 VanDerWaalsContact O-N 3.12Å; V533-L537 HydrophobicContact CG1-CD1 3.92Å; V533-L537 HydrophobicContact CG1-CG 4.32Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 3.42Å; V533-L558 HydrophobicContact CG2-CD1 3.9Å; V533-L558 HydrophobicContact CG2-CD2 3.81Å; V533-L558 HydrophobicContact CG2-CG 4.41Å; V533-L565 HydrophobicContact CG1-CD1 4.09Å
534	S	86.2	Confident	79.8	Confident	74 Å²	74	56.1 Å²	56.1	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-40.5	177.2	-59.7	0	0	0	0	112	D530 E531 A532 L537 A538	D530-S534 WeakPolarHBondContact O-CB 3.47Å; D530-S534 PolarHBondContact O-N 3.15Å; D530-S534 PolarHBondContact O-OG 3.07Å; E531-S534 PolarHBondContact O-N 3Å; A532-S534 VanDerWaalsContact C-N 3.34Å; A532-S534 PolarHBondContact O-N 2.99Å; S534-L537 PolarHBondContact O-N 3.43Å; S534-A538 WeakPolarHBondContact O-CB 3.18Å; S534-A538 PolarHBondContact O-N 2.84Å
535	R	88.9	Confident	79.6	Confident	75 Å²	75	55.7 Å²	55.7	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-39.7	175.1	-68.6	176.2	-177.8	-154.6	7.7	112	G524 E531 A532 V533 A538 F546	G524-R535 PolarHBondContact O-NH1 3.14Å; E531-R535 WeakPolarHBondContact O-CG 3.11Å; E531-R535 PolarHBondContact O-N 3.42Å; E531-R535 IonicContact OE1-CZ 3.87Å; E531-R535 IonicContact OE1-NE 2.98Å; E531-R535 PolarHBondContact OE1-NE 3.42Å; E531-R535 IonicContact OE1-NH2 3.85Å; E531-R535 PolarHBondContact OE1-NH2 3.5Å; A532-R535 PolarHBondContact O-N 3.32Å; V533-R535 VanDerWaalsContact C-N 3.3Å; V533-R535 PolarHBondContact O-N 3.07Å; R535-A538 PolarHBondContact O-N 3.41Å; R535-F546 HydrophobicContact CB-CB 4.26Å; R535-F546 HydrophobicContact CB-CD1 3.38Å; R535-F546 HydrophobicContact CB-CD2 4.49Å; R535-F546 HydrophobicContact CB-CE1 3.72Å; R535-F546 HydrophobicContact CB-CG 3.8Å; R535-F546 HydrophobicContact CB-CZ 4.41Å
536	V	88.5	Confident	79.7	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-48.7	175.8	175.2	0	0	0	0	110.7	L402 L403 K404 A532 V533 A538 S539 F546 F548 L565	L402-V536 HydrophobicContact CD2-CG2 4.41Å; L403-V536 VanDerWaalsContact C-CG1 3.41Å; K404-V536 HydrophobicContact CB-CG1 4.25Å; K404-V536 VanDerWaalsContact N-CG1 3.34Å; A532-V536 WeakPolarHBondContact O-CG2 3.25Å; A532-V536 PolarHBondContact O-N 3.11Å; V533-V536 PolarHBondContact O-N 2.98Å; V533-V536 VanDerWaalsContact O-N 3.12Å; V536-A538 VanDerWaalsContact C-N 3.27Å; V536-A538 PolarHBondContact O-N 3.4Å; V536-S539 WeakPolarHBondContact O-CB 3.46Å; V536-S539 PolarHBondContact O-N 3.08Å; V536-S539 PolarHBondContact O-OG 2.72Å; V536-F546 HydrophobicContact CG2-CD1 3.76Å; V536-F546 HydrophobicContact CG2-CE1 4.19Å; V536-F548 HydrophobicContact CG2-CB 3.57Å; V536-L565 HydrophobicContact CB-CD2 4.33Å; V536-L565 HydrophobicContact CG1-CD2 3.69Å
537	L	86.8	Confident	79.9	Confident	52 Å²	52	54 Å²	54	27%	0.272	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-30	-179.9	-69.5	173.8	0	0	0	113.1	K404 V533 S534 S539 N564 L565	K404-L537 WeakPolarHBondContact CD-O 3.22Å; K404-L537 WeakPolarHBondContact CE-O 3.32Å; K404-L537 PolarHBondContact NZ-O 2.8Å; V533-L537 HydrophobicContact CG1-CD1 3.92Å; V533-L537 HydrophobicContact CG1-CG 4.32Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 3.42Å; S534-L537 PolarHBondContact O-N 3.43Å; L537-S539 PolarHBondContact O-N 3.46Å; L537-N564 HydrophobicContact CD2-CB 3.85Å; L537-L565 HydrophobicContact CD2-CD2 3.75Å; L537-L565 HydrophobicContact CD2-CG 4.26Å; L537-L565 HydrophobicContact CG-CD2 4.13Å
538	A	87.3	Confident	80.4	Confident	77 Å²	77	49 Å²	49	64%	0.636	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-3.1	173.6	0	0	0	0	0	113.9	S534 R535 V536 P540	S534-A538 WeakPolarHBondContact O-CB 3.18Å; S534-A538 PolarHBondContact O-N 2.84Å; R535-A538 PolarHBondContact O-N 3.41Å; V536-A538 VanDerWaalsContact C-N 3.27Å; V536-A538 PolarHBondContact O-N 3.4Å; A538-P540 WeakPolarHBondContact O-CD 3.47Å
539	S	82.7	Confident	80.8	Confident	7 Å²	7	45.7 Å²	45.7	5%	0.049	27%	0.267	C	S	.	.			trans	-62.6	123.4	178.7	-63.8	0	0	0	0	111.9	K404 V536 L537 G545 F546	K404-S539 WeakPolarHBondContact CD-O 3.45Å; K404-S539 PolarHBondContact NZ-O 2.84Å; K404-S539 VanDerWaalsContact NZ-O 3.15Å; V536-S539 WeakPolarHBondContact O-CB 3.46Å; V536-S539 PolarHBondContact O-N 3.08Å; V536-S539 PolarHBondContact O-OG 2.72Å; L537-S539 PolarHBondContact O-N 3.46Å; S539-G545 WeakPolarHBondContact OG-CA 3.34Å; S539-F546 PolarHBondContact OG-N 2.8Å; S539-F546 PolarHBondContact OG-O 2.63Å
540	P	75.6	Confident	80.8	Confident	108 Å²	108	42.4 Å²	42.4	70%	0.701	25%	0.251	S	S	*	.			trans	-76.9	-28.8	-175.7	27.6	-34.4	0	0	0	113.7	A538 H544	A538-P540 WeakPolarHBondContact O-CD 3.47Å; P540-H544 WeakPolarHBondContact CD-O 3.39Å; P540-H544 WeakPolarHBondContact CG-O 3.41Å
541	S	65.8	Low	80.6	Confident	33 Å²	33	37.9 Å²	37.9	23%	0.231	23%	0.227	C	C	.	.	S	Bend	trans	-147.8	165.4	-176.3	74.5	0	0	0	0	111	H406 T543 H544	H406-S541 VanDerWaalsContact CE1-C 3.48Å; H406-S541 PolarHBondContact NE2-O 2.83Å; S541-T543 PolarHBondContact O-N 3.26Å; S541-H544 PolarHBondContact N-O 3.31Å; S541-H544 VanDerWaalsContact N-O 3.16Å; S541-H544 CarbonylContact O-C 3.56Å; S541-H544 WeakPolarHBondContact OG-CA 3.33Å; S541-H544 WeakPolarHBondContact OG-CB 3.43Å; S541-H544 PolarHBondContact OG-N 3.15Å; S541-H544 PolarHBondContact OG-O 3.22Å
542	P	62.2	Low	80.2	Confident	79 Å²	79	35.4 Å²	35.4	51%	0.513	22%	0.216	S	C	.	.	S	Bend	trans	-69	-18.3	178.9	22.3	-31.3	0	0	0	113.5	H406 I457	H406-P542 VanDerWaalsContact NE2-N 3.18Å; I457-P542 WeakPolarHBondContact CD1-O 3.41Å
543	T	60.1	Low	79.8	Confident	39 Å²	39	35.5 Å²	35.5	24%	0.239	22%	0.216	C	C	.	.	S	Bend	trans	-106.2	-18.7	-178.1	56.7	0	0	0	0	113.6	A442 G456 I457 S541	A442-T543 HydrophobicContact CB-CG2 3.96Å; G456-T543 CarbonylContact C-O 3.57Å; G456-T543 VanDerWaalsContact CA-O 3.23Å; G456-T543 WeakPolarHBondContact CA-O 3.42Å; I457-T543 VanDerWaalsContact CG1-O 3.25Å; I457-T543 WeakPolarHBondContact CG1-O 3.44Å; I457-T543 PolarHBondContact N-O 3.39Å; S541-T543 PolarHBondContact O-N 3.26Å
544	H	67.2	Low	79.4	Confident	112 Å²	112	36 Å²	36	52%	0.519	22%	0.22	S	C	.	.	S	Bend	trans	-129.3	116.4	178.4	-63.4	73.2	0	0	0	109.2	G456 P540 S541	G456-H544 WeakPolarHBondContact O-CA 3.42Å; P540-H544 WeakPolarHBondContact CD-O 3.39Å; P540-H544 WeakPolarHBondContact CG-O 3.41Å; S541-H544 PolarHBondContact N-O 3.31Å; S541-H544 VanDerWaalsContact N-O 3.16Å; S541-H544 CarbonylContact O-C 3.56Å; S541-H544 WeakPolarHBondContact OG-CA 3.33Å; S541-H544 WeakPolarHBondContact OG-CB 3.43Å; S541-H544 PolarHBondContact OG-N 3.15Å; S541-H544 PolarHBondContact OG-O 3.22Å
545	G	80.3	Confident	79.2	Confident	17 Å²	17	32.5 Å²	32.5	18%	0.175	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-160.1	-174.1	0	0	0	0	0	112.3	K458 S539	K458-G545 PolarHBondContact N-O 2.99Å; S539-G545 WeakPolarHBondContact OG-CA 3.34Å
546	F	87.2	Confident	78.7	Confident	18 Å²	18	30.6 Å²	30.6	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.6	176	-178.6	-95.9	0	0	0	110.3	K458 S460 V523 R535 V536 S539 F548	K458-F546 HydrophobicContact CB-CD2 4.49Å; K458-F546 CarbonylContact O-C 3.6Å; K458-F546 WeakPolarHBondContact O-CA 3.36Å; S460-F546 VanDerWaalsContact OG-CE2 3.3Å; S460-F546 WeakPolarHBondContact OG-CE2 3.2Å; S460-F546 WeakPolarHBondContact OG-CZ 3.4Å; V523-F546 HydrophobicContact CG1-CD2 4.18Å; V523-F546 HydrophobicContact CG1-CE2 3.87Å; R535-F546 HydrophobicContact CB-CB 4.26Å; R535-F546 HydrophobicContact CB-CD1 3.38Å; R535-F546 HydrophobicContact CB-CD2 4.49Å; R535-F546 HydrophobicContact CB-CE1 3.72Å; R535-F546 HydrophobicContact CB-CG 3.8Å; R535-F546 HydrophobicContact CB-CZ 4.41Å; V536-F546 HydrophobicContact CG2-CD1 3.76Å; V536-F546 HydrophobicContact CG2-CE1 4.19Å; S539-F546 PolarHBondContact OG-N 2.8Å; S539-F546 PolarHBondContact OG-O 2.63Å; F546-F548 HydrophobicContact CE1-CB 4.09Å
547	A	86.9	Confident	78.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.2	172	0	0	0	0	0	110.4	V401 L402 L403 L451 I457 K458 Y459 S460	V401-A547 HydrophobicContact CG1-CB 3.68Å; L402-A547 WeakPolarHBondContact O-CA 3.46Å; L403-A547 HydrophobicContact CD2-CB 3.43Å; L403-A547 VanDerWaalsContact CD2-CB 3.43Å; L451-A547 HydrophobicContact CD1-CB 4.29Å; L451-A547 HydrophobicContact CD2-CB 4.1Å; I457-A547 HydrophobicContact CG2-CB 3.71Å; K458-A547 PolarHBondContact O-N 2.8Å; Y459-A547 WeakPolarHBondContact CA-O 3.47Å; Y459-A547 WeakPolarHBondContact CB-O 3.16Å; S460-A547 PolarHBondContact N-O 2.85Å
548	F	88.3	Confident	77.9	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.1	178.5	171.4	-133	0	0	0	110	V401 L402 V462 I529 A532 V536 F546 A550 L558	V401-F548 WeakPolarHBondContact CA-O 3.31Å; L402-F548 HydrophobicContact CB-CB 4.15Å; L402-F548 HydrophobicContact CB-CD1 4.28Å; L402-F548 HydrophobicContact CD2-CB 4.48Å; L402-F548 HydrophobicContact CD2-CD1 3.92Å; L402-F548 PolarHBondContact N-O 3.4Å; L402-F548 PolarHBondContact O-N 2.73Å; V462-F548 HydrophobicContact CB-CE2 4.26Å; V462-F548 HydrophobicContact CG2-CE2 3.52Å; V462-F548 HydrophobicContact CG2-CZ 3.66Å; I529-F548 HydrophobicContact CG2-CE1 4.37Å; A532-F548 HydrophobicContact CB-CB 4.32Å; A532-F548 HydrophobicContact CB-CD1 3.95Å; A532-F548 HydrophobicContact CB-CD2 3.6Å; A532-F548 HydrophobicContact CB-CE1 4.09Å; A532-F548 HydrophobicContact CB-CE2 3.8Å; A532-F548 HydrophobicContact CB-CG 3.69Å; A532-F548 HydrophobicContact CB-CZ 4Å; V536-F548 HydrophobicContact CG2-CB 3.57Å; F546-F548 HydrophobicContact CE1-CB 4.09Å; F548-A550 HydrophobicContact CD1-CB 4.41Å; F548-A550 HydrophobicContact CE1-CB 3.72Å; F548-A550 HydrophobicContact CE2-CB 4.09Å; F548-A550 HydrophobicContact CZ-CB 3.54Å; F548-L558 HydrophobicContact CD1-CD1 4.28Å; F548-L558 HydrophobicContact CE1-CD1 3.97Å
549	I	85.8	Confident	77.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.1	177.6	-55.9	172.9	0	0	0	108.7	L399 V401 L448 L451 F452 Y459 S460 V461 F471 M520	L399-I549 HydrophobicContact CB-CG2 4.19Å; L399-I549 HydrophobicContact CD1-CG2 4.29Å; L399-I549 HydrophobicContact CD2-CG2 4.4Å; V401-I549 HydrophobicContact CG2-CG1 4.38Å; L448-I549 HydrophobicContact CD1-CD1 4.1Å; L451-I549 HydrophobicContact CD2-CD1 4.41Å; F452-I549 HydrophobicContact CE1-CD1 4.4Å; Y459-I549 HydrophobicContact CD2-CD1 3.84Å; Y459-I549 HydrophobicContact CG-CD1 4.31Å; S460-I549 PolarHBondContact O-N 2.8Å; S460-I549 VanDerWaalsContact O-N 3.15Å; V461-I549 HydrophobicContact CG1-CB 3.76Å; V461-I549 HydrophobicContact CG1-CG2 4.08Å; V461-I549 WeakPolarHBondContact CG1-O 3.31Å; F471-I549 HydrophobicContact CE2-CG2 3.97Å; F471-I549 HydrophobicContact CZ-CD1 4.49Å; F471-I549 HydrophobicContact CZ-CG2 4.39Å; M520-I549 HydrophobicContact CE-CD1 3.97Å
550	A	80.6	Confident	76.9	Confident	8 Å²	8	30.9 Å²	30.9	7%	0.066	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	177	178.3	0	0	0	0	0	111.3	L399 A400 F548 T554 V555	L399-A550 CarbonylContact C-O 3.48Å; L399-A550 WeakPolarHBondContact CA-O 3.5Å; A400-A550 PolarHBondContact N-O 2.81Å; A400-A550 PolarHBondContact O-N 3.4Å; A400-A550 VanDerWaalsContact O-N 3.09Å; F548-A550 HydrophobicContact CD1-CB 4.41Å; F548-A550 HydrophobicContact CE1-CB 3.72Å; F548-A550 HydrophobicContact CE2-CB 4.09Å; F548-A550 HydrophobicContact CZ-CB 3.54Å; A550-T554 HydrophobicContact CB-CG2 4.48Å; A550-V555 HydrophobicContact CB-CG2 3.82Å
551	T	76.2	Confident	76.7	Confident	12 Å²	12	27.5 Å²	27.5	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	138.8	173.2	40.3	0	0	0	0	110.9	S466 T554 V555 Y577	S466-T551 WeakPolarHBondContact OG-CG2 3.23Å; T551-T554 VanDerWaalsContact O-CB 3.3Å; T551-T554 WeakPolarHBondContact O-CB 3.06Å; T551-T554 PolarHBondContact O-N 3.47Å; T551-T554 PolarHBondContact OG1-OG1 3.36Å; T551-V555 PolarHBondContact O-N 3.36Å; T551-V555 VanDerWaalsContact O-N 3.16Å; T551-Y577 WeakPolarHBondContact CB-OH 3.41Å; T551-Y577 PolarHBondContact OG1-OH 2.95Å
552	E	78.7	Confident	77	Confident	11 Å²	11	27.9 Å²	27.9	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-44.1	-53.2	-178.2	-176.5	-167.5	-169.2	0	0	114.2	V396 T397 G398 A400 T554 V555 E556 M567 K569	V396-E552 HydrophobicContact CG1-CB 4.13Å; T397-E552 WeakPolarHBondContact CA-OE2 3.26Å; T397-E552 VanDerWaalsContact CB-OE2 3.25Å; T397-E552 WeakPolarHBondContact CB-OE2 3.24Å; T397-E552 PolarHBondContact N-OE2 3.49Å; T397-E552 PolarHBondContact OG1-OE1 3.02Å; T397-E552 PolarHBondContact OG1-OE2 2.94Å; G398-E552 WeakPolarHBondContact O-CB 3.49Å; G398-E552 PolarHBondContact O-N 2.77Å; A400-E552 HydrophobicContact CB-CB 4.25Å; A400-E552 HydrophobicContact CB-CG 4.45Å; E552-T554 PolarHBondContact O-N 3.41Å; E552-V555 CarbonylContact O-C 3.47Å; E552-V555 PolarHBondContact O-N 3.31Å; E552-E556 WeakPolarHBondContact O-CB 3.25Å; E552-E556 PolarHBondContact O-N 3.09Å; E552-M567 HydrophobicContact CB-CE 4.32Å; E552-M567 HydrophobicContact CG-CE 3.46Å; E552-M567 VanDerWaalsContact CG-CE 3.46Å; E552-M567 HydrophobicContact CG-SD 4.35Å; E552-M567 WeakPolarHBondContact O-CE 3.27Å; E552-K569 WeakPolarHBondContact OE1-CE 3.09Å; E552-K569 IonicContact OE1-NZ 3.52Å; E552-K569 PolarHBondContact OE1-NZ 3.35Å
553	P	74.3	Confident	77.6	Confident	1 Å²	1	27 Å²	27	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-25.4	-176.6	22.4	-33.6	0	0	0	113.5	F307 V396 F557 Y577 W612	F307-P553 HydrophobicContact CZ-CB 4.48Å; V396-P553 VanDerWaalsContact CG1-CD 3.46Å; V396-P553 HydrophobicContact CG1-CG 4.23Å; V396-P553 HydrophobicContact CG2-CG 4.04Å; P553-F557 WeakPolarHBondContact O-CB 3.11Å; P553-F557 PolarHBondContact O-N 3.32Å; P553-F557 VanDerWaalsContact O-N 3.15Å; P553-Y577 HydrophobicContact CB-CE2 4.46Å; P553-Y577 HydrophobicContact CG-CE2 3.51Å; P553-Y577 VanDerWaalsContact CG-OH 3.3Å; P553-Y577 WeakPolarHBondContact CG-OH 3.41Å; P553-W612 HydrophobicContact CB-CZ2 4.01Å; P553-W612 PolarHBondContact O-NE1 3.11Å
554	T	77.6	Confident	78.5	Confident	30 Å²	30	29.4 Å²	29.4	18%	0.184	16%	0.161	C	C	.	.	H	α-helix	trans	-70	-46.7	172	-50.3	0	0	0	0	110.3	I529 A550 T551 E552 E556 F557 L558	I529-T554 HydrophobicContact CD1-CG2 4.16Å; A550-T554 HydrophobicContact CB-CG2 4.48Å; T551-T554 VanDerWaalsContact O-CB 3.3Å; T551-T554 WeakPolarHBondContact O-CB 3.06Å; T551-T554 PolarHBondContact O-N 3.47Å; T551-T554 PolarHBondContact OG1-OG1 3.36Å; E552-T554 PolarHBondContact O-N 3.41Å; T554-E556 VanDerWaalsContact C-N 3.35Å; T554-F557 PolarHBondContact O-N 3.18Å; T554-L558 HydrophobicContact CG2-CD1 4.36Å; T554-L558 VanDerWaalsContact O-CG 3.26Å; T554-L558 WeakPolarHBondContact O-CG 3.48Å; T554-L558 PolarHBondContact O-N 2.8Å
555	V	82	Confident	79.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-37.5	177.9	179.3	0	0	0	0	111.2	A400 L402 A550 T551 E552 F557 L558 E559 M567	A400-V555 HydrophobicContact CB-CB 3.85Å; A400-V555 HydrophobicContact CB-CG1 3.95Å; A400-V555 HydrophobicContact CB-CG2 3.92Å; L402-V555 HydrophobicContact CB-CG1 3.99Å; L402-V555 HydrophobicContact CD1-CG1 3.76Å; A550-V555 HydrophobicContact CB-CG2 3.82Å; T551-V555 PolarHBondContact O-N 3.36Å; T551-V555 VanDerWaalsContact O-N 3.16Å; E552-V555 CarbonylContact O-C 3.47Å; E552-V555 PolarHBondContact O-N 3.31Å; V555-F557 VanDerWaalsContact C-N 3.33Å; V555-L558 PolarHBondContact O-N 2.99Å; V555-E559 WeakPolarHBondContact O-CB 3.34Å; V555-E559 PolarHBondContact O-N 2.96Å; V555-M567 HydrophobicContact CB-CE 3.74Å; V555-M567 HydrophobicContact CG1-CB 3.89Å; V555-M567 HydrophobicContact CG1-CE 3.83Å; V555-M567 HydrophobicContact CG1-CG 3.69Å
556	E	79.5	Confident	79.4	Confident	35 Å²	35	26.9 Å²	26.9	16%	0.164	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-45.2	178.6	-163.5	174.9	-164	0	0	109.5	E552 T554 M560 M567 K608	E552-E556 WeakPolarHBondContact O-CB 3.25Å; E552-E556 PolarHBondContact O-N 3.09Å; T554-E556 VanDerWaalsContact C-N 3.35Å; E556-M560 HydrophobicContact CG-CE 3.89Å; E556-M560 WeakPolarHBondContact O-CE 3.43Å; E556-M560 WeakPolarHBondContact O-CG 3.39Å; E556-M560 PolarHBondContact O-N 2.94Å; E556-M560 VanDerWaalsContact O-N 3.11Å; E556-M567 HydrophobicContact CB-CE 3.67Å; E556-M567 HydrophobicContact CG-CE 4.41Å; E556-M567 VanDerWaalsContact N-CE 3.28Å; E556-K608 IonicContact OE1-NZ 3.82Å; E556-K608 IonicContact OE2-NZ 3.91Å
557	F	76.8	Confident	79.1	Confident	23 Å²	23	26.9 Å²	26.9	10%	0.101	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-43.4	174.1	174.7	-100.8	0	0	0	112.3	R304 P553 T554 V555 M560 S561	R304-F557 WeakPolarHBondContact O-CE2 3.41Å; R304-F557 WeakPolarHBondContact O-CZ 3.23Å; P553-F557 WeakPolarHBondContact O-CB 3.11Å; P553-F557 PolarHBondContact O-N 3.32Å; P553-F557 VanDerWaalsContact O-N 3.15Å; T554-F557 PolarHBondContact O-N 3.18Å; V555-F557 VanDerWaalsContact C-N 3.33Å; F557-M560 PolarHBondContact O-N 2.95Å; F557-S561 WeakPolarHBondContact O-CB 3.5Å; F557-S561 PolarHBondContact O-N 2.61Å
558	L	80.6	Confident	78.5	Confident	15 Å²	15	27.1 Å²	27.1	8%	0.079	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-45	179.7	-70	172.4	0	0	0	112.5	L402 I529 V533 F548 T554 V555 M560 S561 D562 L565	L402-L558 HydrophobicContact CD1-CB 4.04Å; L402-L558 HydrophobicContact CD2-CB 4.18Å; L402-L558 HydrophobicContact CD2-CD1 3.86Å; I529-L558 HydrophobicContact CG2-CD1 3.84Å; I529-L558 HydrophobicContact CG2-CD2 4.12Å; V533-L558 HydrophobicContact CG2-CD1 3.9Å; V533-L558 HydrophobicContact CG2-CD2 3.81Å; V533-L558 HydrophobicContact CG2-CG 4.41Å; F548-L558 HydrophobicContact CD1-CD1 4.28Å; F548-L558 HydrophobicContact CE1-CD1 3.97Å; T554-L558 HydrophobicContact CG2-CD1 4.36Å; T554-L558 VanDerWaalsContact O-CG 3.26Å; T554-L558 WeakPolarHBondContact O-CG 3.48Å; T554-L558 PolarHBondContact O-N 2.8Å; V555-L558 PolarHBondContact O-N 2.99Å; L558-M560 VanDerWaalsContact C-N 3.31Å; L558-M560 PolarHBondContact O-N 2.76Å; L558-S561 WeakPolarHBondContact CA-OG 3.35Å; L558-S561 PolarHBondContact O-N 2.68Å; L558-S561 VanDerWaalsContact O-N 3.11Å; L558-S561 PolarHBondContact O-OG 2.9Å; L558-D562 PolarHBondContact O-N 2.97Å; L558-D562 VanDerWaalsContact O-N 3.16Å; L558-L565 HydrophobicContact CB-CD1 4.32Å
559	E	78.7	Confident	77.6	Confident	60 Å²	60	32.3 Å²	32.3	28%	0.28	17%	0.166	S	C	.	.	H	α-helix	trans	-58.5	-41.6	174.3	177.7	177.7	-133.6	0	0	111.8	V555 S561 R566 M567	V555-E559 WeakPolarHBondContact O-CB 3.34Å; V555-E559 PolarHBondContact O-N 2.96Å; E559-S561 VanDerWaalsContact C-N 3.33Å; E559-S561 PolarHBondContact O-N 3.45Å; E559-R566 WeakPolarHBondContact OE1-CA 3.44Å; E559-M567 HydrophobicContact CB-CB 4.48Å; E559-M567 VanDerWaalsContact CD-N 3.3Å; E559-M567 PolarHBondContact OE1-N 2.89Å; E559-M567 WeakPolarHBondContact OE2-CB 3.39Å
560	M	70.9	Confident	76.7	Confident	44 Å²	44	32.8 Å²	32.8	22%	0.217	17%	0.17	C	C	.	.	H	α-helix	trans	-68.1	-32.9	175.5	-75.6	-167.2	-79.4	0	0	112.7	E556 F557 L558 W612 G616	E556-M560 HydrophobicContact CG-CE 3.89Å; E556-M560 WeakPolarHBondContact O-CE 3.43Å; E556-M560 WeakPolarHBondContact O-CG 3.39Å; E556-M560 PolarHBondContact O-N 2.94Å; E556-M560 VanDerWaalsContact O-N 3.11Å; F557-M560 PolarHBondContact O-N 2.95Å; L558-M560 VanDerWaalsContact C-N 3.31Å; L558-M560 PolarHBondContact O-N 2.76Å; M560-W612 HydrophobicContact CE-CB 3.81Å; M560-W612 HydrophobicContact CE-CG 4.12Å; M560-G616 CarbonylContact C-O 3.59Å; M560-G616 WeakPolarHBondContact CB-O 3.09Å
561	S	70.2	Confident	75.8	Confident	37 Å²	37	41.8 Å²	41.8	26%	0.259	21%	0.207	S	C	.	.	H	α-helix	trans	-74.4	-27.8	-178.4	74.2	0	0	0	0	114.7	F557 L558 E559	F557-S561 WeakPolarHBondContact O-CB 3.5Å; F557-S561 PolarHBondContact O-N 2.61Å; L558-S561 WeakPolarHBondContact CA-OG 3.35Å; L558-S561 PolarHBondContact O-N 2.68Å; L558-S561 VanDerWaalsContact O-N 3.11Å; L558-S561 PolarHBondContact O-OG 2.9Å; E559-S561 VanDerWaalsContact C-N 3.33Å; E559-S561 PolarHBondContact O-N 3.45Å
562	D	73.5	Confident	75	Confident	42 Å²	42	42.3 Å²	42.3	23%	0.225	21%	0.209	C	C	.	.			trans	-142.1	113.8	-179.7	-175.3	-15.7	0	0	0	110.3	L558 N564 L565	L558-D562 PolarHBondContact O-N 2.97Å; L558-D562 VanDerWaalsContact O-N 3.16Å; D562-N564 PolarHBondContact O-N 3.46Å; D562-N564 WeakPolarHBondContact OD1-CB 3.41Å; D562-N564 PolarHBondContact OD1-N 2.78Å; D562-N564 PolarHBondContact OD1-ND2 3.29Å; D562-L565 HydrophobicContact CB-CD1 3.83Å; D562-L565 HydrophobicContact CB-CG 4.11Å; D562-L565 WeakPolarHBondContact O-CB 3.41Å; D562-L565 PolarHBondContact O-N 2.86Å
563	C	74.2	Confident	74.1	Confident	61 Å²	61	42.8 Å²	42.8	41%	0.412	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.5	-176.9	-33.5	0	0	0	0	113.7	L565 C620	C563-L565 PolarHBondContact O-N 3.37Å; C563-C620 WeakPolarHBondContact CA-SG 3.27Å; C563-C620 HydrophobicContact CB-CB 4.01Å; C563-C620 WeakPolarHBondContact CB-SG 3.47Å; C563-C620 PolarHBondContact N-SG 3.32Å; C563-C620 WeakPolarHBondContact SG-CA 3.41Å; C563-C620 WeakPolarHBondContact SG-CB 3.33Å; C563-C620 CovalentContact SG-SG 2.02Å; C563-C620 PolarHBondContact SG-SG 3.48Å
564	N	79.5	Confident	73.2	Confident	88 Å²	88	45.7 Å²	45.7	47%	0.471	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	2.2	172.7	-56.2	-65.7	0	0	0	112.3	K404 D405 L537 D562	K404-N564 CarbonylContact C-O 3.6Å; K404-N564 WeakPolarHBondContact CA-O 3.41Å; D405-N564 PolarHBondContact N-O 3.42Å; L537-N564 HydrophobicContact CD2-CB 3.85Å; D562-N564 PolarHBondContact O-N 3.46Å; D562-N564 WeakPolarHBondContact OD1-CB 3.41Å; D562-N564 PolarHBondContact OD1-N 2.78Å; D562-N564 PolarHBondContact OD1-ND2 3.29Å
565	L	83.8	Confident	72.3	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	149.6	176.2	-59.5	172.3	0	0	0	109.8	L402 L403 V533 V536 L537 L558 D562 C563	L402-L565 HydrophobicContact CD1-CB 3.85Å; L402-L565 HydrophobicContact CD1-CD1 4.17Å; L402-L565 HydrophobicContact CD1-CD2 4.49Å; L402-L565 HydrophobicContact CD1-CG 4.4Å; L402-L565 HydrophobicContact CD2-CD1 4.08Å; L402-L565 HydrophobicContact CD2-CD2 4.16Å; L402-L565 HydrophobicContact CG-CB 4.39Å; L402-L565 HydrophobicContact CG-CD1 4.44Å; L402-L565 HydrophobicContact CG-CD2 4.15Å; L403-L565 CarbonylContact O-C 3.47Å; L403-L565 WeakPolarHBondContact O-CA 3.25Å; V533-L565 HydrophobicContact CG1-CD1 4.09Å; V536-L565 HydrophobicContact CB-CD2 4.33Å; V536-L565 HydrophobicContact CG1-CD2 3.69Å; L537-L565 HydrophobicContact CD2-CD2 3.75Å; L537-L565 HydrophobicContact CD2-CG 4.26Å; L537-L565 HydrophobicContact CG-CD2 4.13Å; L558-L565 HydrophobicContact CB-CD1 4.32Å; D562-L565 HydrophobicContact CB-CD1 3.83Å; D562-L565 HydrophobicContact CB-CG 4.11Å; D562-L565 WeakPolarHBondContact O-CB 3.41Å; D562-L565 PolarHBondContact O-N 2.86Å; C563-L565 PolarHBondContact O-N 3.37Å
566	R	81.7	Confident	71.8	Confident	73 Å²	73	50.4 Å²	50.4	28%	0.275	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.6	177	175.2	176.6	167.6	-154.9	-11.3	110.3	L403 D405 I445 E559	L403-R566 PolarHBondContact N-O 3.47Å; L403-R566 PolarHBondContact O-N 2.82Å; D405-R566 HydrophobicContact CB-CB 4.02Å; I445-R566 PolarHBondContact O-NH2 3.29Å; E559-R566 WeakPolarHBondContact OE1-CA 3.44Å
567	M	81.3	Confident	72	Confident	17 Å²	17	48.8 Å²	48.8	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141	173.9	-179.9	-167.5	-106.7	0	0	111.6	A400 V401 E552 V555 E556 E559 K569	A400-M567 HydrophobicContact CB-CE 3.74Å; A400-M567 HydrophobicContact CB-CG 3.96Å; A400-M567 HydrophobicContact CB-SD 4.35Å; V401-M567 CarbonylContact O-C 3.51Å; V401-M567 WeakPolarHBondContact O-CA 3.39Å; E552-M567 HydrophobicContact CB-CE 4.32Å; E552-M567 HydrophobicContact CG-CE 3.46Å; E552-M567 VanDerWaalsContact CG-CE 3.46Å; E552-M567 HydrophobicContact CG-SD 4.35Å; E552-M567 WeakPolarHBondContact O-CE 3.27Å; V555-M567 HydrophobicContact CB-CE 3.74Å; V555-M567 HydrophobicContact CG1-CB 3.89Å; V555-M567 HydrophobicContact CG1-CE 3.83Å; V555-M567 HydrophobicContact CG1-CG 3.69Å; E556-M567 HydrophobicContact CB-CE 3.67Å; E556-M567 HydrophobicContact CG-CE 4.41Å; E556-M567 VanDerWaalsContact N-CE 3.28Å; E559-M567 HydrophobicContact CB-CB 4.48Å; E559-M567 VanDerWaalsContact CD-N 3.3Å; E559-M567 PolarHBondContact OE1-N 2.89Å; E559-M567 WeakPolarHBondContact OE2-CB 3.39Å; M567-K569 HydrophobicContact CG-CG 4.18Å; M567-K569 HydrophobicContact SD-CD 4.17Å; M567-K569 HydrophobicContact SD-CG 3.44Å; M567-K569 WeakPolarHBondContact SD-CG 3.39Å
568	V	73.2	Confident	72.3	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.2	158.8	-178.4	0	0	0	0	108.4	A400 V401 L403 T446	A400-V568 WeakPolarHBondContact CA-O 3.39Å; V401-V568 HydrophobicContact CB-CB 4.2Å; V401-V568 PolarHBondContact N-O 3.47Å; V401-V568 PolarHBondContact O-N 2.65Å; L403-V568 HydrophobicContact CD1-CG2 3.82Å; T446-V568 VanDerWaalsContact C-CG1 3.44Å; T446-V568 WeakPolarHBondContact O-CG1 3.16Å
569	K	69.9	Low	72.6	Confident	113 Å²	113	47.2 Å²	47.2	49%	0.491	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	146.2	178.1	-64.4	-170.5	-179.2	-137.5	0	111	E552 M567	E552-K569 WeakPolarHBondContact OE1-CE 3.09Å; E552-K569 IonicContact OE1-NZ 3.52Å; E552-K569 PolarHBondContact OE1-NZ 3.35Å; M567-K569 HydrophobicContact CG-CG 4.18Å; M567-K569 HydrophobicContact SD-CD 4.17Å; M567-K569 HydrophobicContact SD-CG 3.44Å; M567-K569 WeakPolarHBondContact SD-CG 3.39Å
570	S	67.8	Low	73.1	Confident	10 Å²	10	44.4 Å²	44.4	7%	0.07	23%	0.225	C	C	.	.			trans	-131.7	154.6	169.6	-171.2	0	0	0	0	110.4	L399 L572	L399-S570 WeakPolarHBondContact O-CB 3.19Å; L399-S570 PolarHBondContact O-N 3.46Å; S570-L572 VanDerWaalsContact C-N 3.31Å; S570-L572 WeakPolarHBondContact OG-CB 3.49Å; S570-L572 WeakPolarHBondContact OG-CD1 3.46Å; S570-L572 WeakPolarHBondContact OG-CG 3.34Å; S570-L572 PolarHBondContact OG-N 3.17Å; S570-L572 VanDerWaalsContact OG-N 3.11Å
571	K	61.4	Low	74.1	Confident	196 Å²	196	42.3 Å²	42.3	85%	0.852	22%	0.215	S	C	*	.			trans	-90.1	2	168.3	-67.6	-175.2	177.3	-176.7	0	112.6
572	L	59.8	Low	75	Confident	23 Å²	23	43.7 Å²	43.7	12%	0.12	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	132.3	176.5	-74.6	160.6	0	0	0	109.8	G398 L399 L448 E449 F452 Y513 S570	G398-L572 CarbonylContact C-O 3.5Å; G398-L572 WeakPolarHBondContact CA-O 3.19Å; L399-L572 PolarHBondContact N-O 3.29Å; L448-L572 HydrophobicContact CD2-CB 4.41Å; L448-L572 HydrophobicContact CD2-CD1 3.63Å; L448-L572 HydrophobicContact CG-CD1 4Å; E449-L572 HydrophobicContact CG-CD1 4.46Å; F452-L572 HydrophobicContact CE2-CD1 4.14Å; Y513-L572 WeakPolarHBondContact OH-CD2 3.23Å; S570-L572 VanDerWaalsContact C-N 3.31Å; S570-L572 WeakPolarHBondContact OG-CB 3.49Å; S570-L572 WeakPolarHBondContact OG-CD1 3.46Å; S570-L572 WeakPolarHBondContact OG-CG 3.34Å; S570-L572 PolarHBondContact OG-N 3.17Å; S570-L572 VanDerWaalsContact OG-N 3.11Å
573	F	59.7	Low	75.4	Confident	21 Å²	21	46.4 Å²	46.4	9%	0.092	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	45.3	178.6	-172.8	-109	0	0	0	115	V378 G398 L399 Y470 R575 W1182	V378-F573 HydrophobicContact CG1-CZ 4.4Å; G398-F573 WeakPolarHBondContact CA-O 3.37Å; L399-F573 HydrophobicContact CD1-CB 3.97Å; L399-F573 HydrophobicContact CD2-CD1 4.1Å; L399-F573 HydrophobicContact CG-CB 3.91Å; L399-F573 HydrophobicContact CG-CD1 4.03Å; L399-F573 HydrophobicContact CG-CG 4.37Å; Y470-F573 HydrophobicContact CD1-CB 4.14Å; Y470-F573 HydrophobicContact CD1-CG 4.43Å; Y470-F573 HydrophobicContact CD2-CB 3.97Å; Y470-F573 AromaticContact CD2-CD2 3.16Å; Y470-F573 HydrophobicContact CD2-CD2 3.16Å; Y470-F573 AromaticContact CD2-CE2 3.84Å; Y470-F573 HydrophobicContact CD2-CE2 3.84Å; Y470-F573 AromaticContact CD2-CG 3.84Å; Y470-F573 HydrophobicContact CD2-CG 3.84Å; Y470-F573 HydrophobicContact CE1-CB 4.03Å; Y470-F573 HydrophobicContact CE2-CB 3.84Å; Y470-F573 AromaticContact CE2-CD2 3.65Å; Y470-F573 HydrophobicContact CE2-CD2 3.65Å; Y470-F573 HydrophobicContact CE2-CG 4.17Å; Y470-F573 HydrophobicContact CG-CB 4.08Å; Y470-F573 AromaticContact CG-CD2 3.63Å; Y470-F573 HydrophobicContact CG-CD2 3.63Å; Y470-F573 HydrophobicContact CG-CE2 4.21Å; Y470-F573 AromaticContact CG-CG 3.93Å; Y470-F573 HydrophobicContact CG-CG 3.93Å; F573-R575 HydrophobicContact CE2-CG 4.36Å; F573-R575 PolarHBondContact O-N 2.74Å; F573-R575 VanDerWaalsContact O-N 3.15Å; F573-W1182 HydrophobicContact CD2-CZ3 4.16Å; F573-W1182 HydrophobicContact CE2-CH2 4.1Å; F573-W1182 AromaticContact CE2-CZ3 3.92Å; F573-W1182 HydrophobicContact CE2-CZ3 3.92Å
574	A	55.3	Low	75.6	Confident	62 Å²	62	46.7 Å²	46.7	51%	0.512	24%	0.242	S	C	.	.			trans	-65.8	111.3	170.2	0	0	0	0	0	110.1
575	R	58.5	Low	75.8	Confident	49 Å²	49	44 Å²	44	19%	0.185	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	-177	175.8	-74.4	-159.5	-175.7	-120.9	-6.1	110.1	V396 F573 F1181	V396-R575 CarbonylContact C-O 3.59Å; V396-R575 WeakPolarHBondContact CA-O 3.39Å; V396-R575 WeakPolarHBondContact CB-O 3.43Å; V396-R575 PolarHBondContact N-O 2.82Å; V396-R575 VanDerWaalsContact N-O 3.07Å; V396-R575 PolarHBondContact O-N 3.33Å; F573-R575 HydrophobicContact CE2-CG 4.36Å; F573-R575 PolarHBondContact O-N 2.74Å; F573-R575 VanDerWaalsContact O-N 3.15Å; R575-F1181 PolarHBondContact NH1-O 2.95Å; R575-F1181 PolarHBondContact NH2-O 3.31Å
576	H	70.7	Confident	75.7	Confident	80 Å²	80	51.6 Å²	51.6	37%	0.37	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153.2	-170	-45.6	91.8	0	0	0	111.2	P379 P392	P379-H576 WeakPolarHBondContact CD-O 3.27Å; P392-H576 HydrophobicContact CB-CB 3.18Å; P392-H576 HydrophobicContact CG-CB 4.05Å
577	Y	83.5	Confident	75.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137.8	167.2	-60.5	-50.1	0	0	0	110.3	F307 S376 V378 P392 F393 H394 V396 T551 P553	F307-Y577 AromaticContact CE1-CD2 3.76Å; F307-Y577 HydrophobicContact CE1-CD2 3.76Å; F307-Y577 AromaticContact CE1-CE2 3.94Å; F307-Y577 HydrophobicContact CE1-CE2 3.94Å; F307-Y577 HydrophobicContact CE2-CE2 4.18Å; F307-Y577 AromaticContact CZ-CD2 3.74Å; F307-Y577 HydrophobicContact CZ-CD2 3.74Å; F307-Y577 AromaticContact CZ-CE2 3.41Å; F307-Y577 HydrophobicContact CZ-CE2 3.41Å; F307-Y577 VanDerWaalsContact CZ-CE2 3.41Å; S376-Y577 WeakPolarHBondContact O-CE1 3.49Å; V378-Y577 HydrophobicContact CG2-CD1 3.68Å; V378-Y577 HydrophobicContact CG2-CE1 3.43Å; V378-Y577 VanDerWaalsContact CG2-CE1 3.43Å; P392-Y577 CarbonylContact C-O 3.54Å; P392-Y577 VanDerWaalsContact CA-O 3.27Å; P392-Y577 WeakPolarHBondContact CA-O 3Å; F393-Y577 WeakPolarHBondContact CD1-O 3.41Å; F393-Y577 VanDerWaalsContact CZ-CB 3.49Å; F393-Y577 PolarHBondContact N-O 3.35Å; H394-Y577 HydrophobicContact CB-CD2 4.14Å; H394-Y577 PolarHBondContact O-N 3.41Å; V396-Y577 HydrophobicContact CG2-CD1 4.46Å; V396-Y577 HydrophobicContact CG2-CD2 3.76Å; V396-Y577 HydrophobicContact CG2-CE1 4.22Å; V396-Y577 HydrophobicContact CG2-CE2 3.47Å; V396-Y577 VanDerWaalsContact CG2-CE2 3.47Å; V396-Y577 HydrophobicContact CG2-CG 4.24Å; T551-Y577 WeakPolarHBondContact CB-OH 3.41Å; T551-Y577 PolarHBondContact OG1-OH 2.95Å; P553-Y577 HydrophobicContact CB-CE2 4.46Å; P553-Y577 HydrophobicContact CG-CE2 3.51Å; P553-Y577 VanDerWaalsContact CG-OH 3.3Å; P553-Y577 WeakPolarHBondContact CG-OH 3.41Å
578	A	83.6	Confident	76	Confident	3 Å²	3	50.1 Å²	50.1	3%	0.025	26%	0.264	C	S	.	.			trans	-133.4	152.4	-179.6	0	0	0	0	0	110.5	F377 F389 S390	F377-A578 PolarHBondContact O-N 3.48Å; F389-A578 HydrophobicContact CB-CB 4.03Å; F389-A578 HydrophobicContact CD1-CB 3.84Å; F389-A578 HydrophobicContact CG-CB 4.38Å; S390-A578 VanDerWaalsContact O-CB 3.32Å; S390-A578 WeakPolarHBondContact O-CB 3.42Å
579	I	87.8	Confident	76.4	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	29%	0.291	C	S	.	.			trans	-78.8	125.4	171.1	-57.8	-178.3	0	0	0	107.5	I327 L331 I372 L374 S390 F393 V591 I595	I327-I579 HydrophobicContact CG2-CD1 3.97Å; L331-I579 HydrophobicContact CD1-CD1 3.71Å; I372-I579 HydrophobicContact CG2-CG2 3.36Å; L374-I579 HydrophobicContact CD2-CD1 3.92Å; L374-I579 HydrophobicContact CD2-CG1 4.1Å; L374-I579 HydrophobicContact CD2-CG2 4.01Å; S390-I579 PolarHBondContact N-O 2.85Å; S390-I579 WeakPolarHBondContact OG-CA 2.82Å; S390-I579 VanDerWaalsContact OG-CB 3.27Å; S390-I579 WeakPolarHBondContact OG-CB 3.24Å; S390-I579 PolarHBondContact OG-N 2.98Å; S390-I579 PolarHBondContact OG-O 3.42Å; F393-I579 HydrophobicContact CD1-CG1 3.79Å; F393-I579 HydrophobicContact CE1-CG1 3.93Å; I579-V591 HydrophobicContact CD1-CG1 4.15Å; I579-I595 HydrophobicContact CD1-CD1 3.94Å; I579-I595 HydrophobicContact CG1-CD1 4.24Å
580	G	88.9	Confident	77.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.4	174.8	0	0	0	0	0	110.8	I372 A373	I372-G580 CarbonylContact C-O 3.58Å; I372-G580 WeakPolarHBondContact CA-O 2.92Å; A373-G580 PolarHBondContact N-O 2.97Å; A373-G580 PolarHBondContact O-N 3.45Å
581	V	91	Very high	78	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	161.6	174.8	-62	0	0	0	0	109.4	I372 D388	I372-V581 HydrophobicContact CG1-CG1 4.42Å; D388-V581 HydrophobicContact CB-CG2 3.84Å; D388-V581 PolarHBondContact N-O 3.44Å; D388-V581 WeakPolarHBondContact O-CG2 3.24Å; D388-V581 PolarHBondContact O-N 2.77Å
582	Q	89.7	Confident	79.1	Confident	66 Å²	66	44.2 Å²	44.2	31%	0.308	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	141.2	174.9	-177.7	169.4	80.9	0	0	111.1	L365 G584 S585	L365-Q582 PolarHBondContact O-NE2 3.46Å; Q582-G584 PolarHBondContact O-N 3.46Å; Q582-S585 WeakPolarHBondContact O-CB 3.45Å; Q582-S585 PolarHBondContact O-N 2.87Å; Q582-S585 VanDerWaalsContact O-N 3.11Å
583	Q	82.2	Confident	80.1	Confident	100 Å²	100	49.6 Å²	49.6	47%	0.467	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	134.3	179.9	-176.6	173.6	58	0	0	112	A385 L386 D388 S585	A385-Q583 PolarHBondContact O-NE2 3.42Å; L386-Q583 WeakPolarHBondContact O-CB 3.44Å; D388-Q583 WeakPolarHBondContact OD2-CA 3.34Å; Q583-S585 PolarHBondContact O-N 3.07Å
584	G	79.2	Confident	81.3	Confident	67 Å²	67	50.1 Å²	50.1	69%	0.691	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	5.1	-177.5	0	0	0	0	0	114.6	D388 Q582	D388-G584 PolarHBondContact OD2-N 3.16Å; Q582-G584 PolarHBondContact O-N 3.46Å
585	S	83.5	Confident	82.7	Confident	30 Å²	30	47.2 Å²	47.2	21%	0.21	25%	0.254	C	S	.	.			trans	-70.6	133.4	179.8	-175.9	0	0	0	0	112.3	Q582 Q583 L587 G588	Q582-S585 WeakPolarHBondContact O-CB 3.45Å; Q582-S585 PolarHBondContact O-N 2.87Å; Q582-S585 VanDerWaalsContact O-N 3.11Å; Q583-S585 PolarHBondContact O-N 3.07Å; S585-L587 PolarHBondContact O-N 3.26Å; S585-L587 VanDerWaalsContact O-N 3.12Å; S585-L587 WeakPolarHBondContact OG-CB 3.41Å; S585-L587 PolarHBondContact OG-N 2.75Å; S585-G588 PolarHBondContact O-N 3.16Å; S585-G588 VanDerWaalsContact O-N 3.14Å
586	E	82	Confident	83.6	Confident	164 Å²	164	49.5 Å²	49.5	77%	0.766	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.6	172	-63	-171	174.3	0	0	112.8	G588 L590	E586-G588 VanDerWaalsContact C-N 3.3Å; E586-G588 PolarHBondContact O-N 3.09Å; E586-L590 WeakPolarHBondContact O-CG 3.5Å
587	L	84.6	Confident	84.1	Confident	54 Å²	54	49.6 Å²	49.6	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-33.3	174.7	-68.5	170.8	0	0	0	112.1	I372 S585 L590 V591	I372-L587 HydrophobicContact CG1-CD1 4.43Å; S585-L587 PolarHBondContact O-N 3.26Å; S585-L587 VanDerWaalsContact O-N 3.12Å; S585-L587 WeakPolarHBondContact OG-CB 3.41Å; S585-L587 PolarHBondContact OG-N 2.75Å; L587-L590 PolarHBondContact O-N 2.79Å; L587-V591 VanDerWaalsContact O-CB 3.29Å; L587-V591 WeakPolarHBondContact O-CB 3.4Å; L587-V591 VanDerWaalsContact O-CG2 3.24Å; L587-V591 WeakPolarHBondContact O-CG2 3.31Å; L587-V591 PolarHBondContact O-N 3.27Å
588	G	83.4	Confident	84.1	Confident	6 Å²	6	50 Å²	50	6%	0.062	27%	0.274	C	S	.	.	H	α-helix	trans	-55.9	-57.1	-176.3	0	0	0	0	0	113.1	S585 E586 L590 S592	S585-G588 PolarHBondContact O-N 3.16Å; S585-G588 VanDerWaalsContact O-N 3.14Å; E586-G588 VanDerWaalsContact C-N 3.3Å; E586-G588 PolarHBondContact O-N 3.09Å; G588-L590 PolarHBondContact O-N 3.34Å; G588-S592 VanDerWaalsContact O-CB 3.27Å; G588-S592 WeakPolarHBondContact O-CB 3.45Å; G588-S592 PolarHBondContact O-N 3.2Å; G588-S592 PolarHBondContact O-OG 2.79Å
589	P	82.4	Confident	83.8	Confident	91 Å²	91	53.3 Å²	53.3	59%	0.591	29%	0.288	S	S	*	.	H	α-helix	trans	-60.9	-38.1	175	-25.9	34.9	0	0	0	113.8	K593	P589-K593 WeakPolarHBondContact O-CB 3.3Å; P589-K593 PolarHBondContact O-N 2.75Å
590	L	85.5	Confident	83.1	Confident	84 Å²	84	57.1 Å²	57.1	44%	0.44	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-48.1	-179.7	-69.1	174.2	0	0	0	112.1	L335 E586 L587 G588 K593 Q594	L335-L590 HydrophobicContact CD1-CB 4.49Å; L335-L590 HydrophobicContact CD2-CB 4.5Å; E586-L590 WeakPolarHBondContact O-CG 3.5Å; L587-L590 PolarHBondContact O-N 2.79Å; G588-L590 PolarHBondContact O-N 3.34Å; L590-K593 PolarHBondContact O-N 3.35Å; L590-Q594 WeakPolarHBondContact O-CG 3.39Å; L590-Q594 PolarHBondContact O-N 2.95Å; L590-Q594 VanDerWaalsContact O-N 3.12Å
591	V	86.6	Confident	82.6	Confident	2 Å²	2	63 Å²	63	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-62.7	-44.5	175.9	171.1	0	0	0	0	110	L331 L335 I579 L587 K593 Q594 I595	L331-V591 HydrophobicContact CD1-CG1 3.94Å; L335-V591 HydrophobicContact CD1-CG2 4.32Å; I579-V591 HydrophobicContact CD1-CG1 4.15Å; L587-V591 VanDerWaalsContact O-CB 3.29Å; L587-V591 WeakPolarHBondContact O-CB 3.4Å; L587-V591 VanDerWaalsContact O-CG2 3.24Å; L587-V591 WeakPolarHBondContact O-CG2 3.31Å; L587-V591 PolarHBondContact O-N 3.27Å; V591-K593 PolarHBondContact O-N 2.82Å; V591-Q594 PolarHBondContact O-N 3.21Å; V591-I595 HydrophobicContact CG1-CD1 3.67Å; V591-I595 HydrophobicContact CG1-CG1 4.26Å; V591-I595 WeakPolarHBondContact O-CG1 3.2Å; V591-I595 PolarHBondContact O-N 3.34Å
592	S	83.9	Confident	81.9	Confident	22 Å²	22	64.7 Å²	64.7	15%	0.154	37%	0.369	C	S	.	.	H	α-helix	trans	-57.3	-47.6	176.1	-61.3	0	0	0	0	112	S390 C391 G588 Q594 I595 L596	S390-S592 WeakPolarHBondContact CA-OG 3.35Å; C391-S592 PolarHBondContact N-OG 3.31Å; C391-S592 VanDerWaalsContact SG-CA 3.56Å; C391-S592 PolarHBondContact SG-O 3.11Å; G588-S592 VanDerWaalsContact O-CB 3.27Å; G588-S592 WeakPolarHBondContact O-CB 3.45Å; G588-S592 PolarHBondContact O-N 3.2Å; G588-S592 PolarHBondContact O-OG 2.79Å; S592-Q594 VanDerWaalsContact C-N 3.31Å; S592-Q594 PolarHBondContact O-N 2.93Å; S592-I595 PolarHBondContact O-N 3.32Å; S592-L596 WeakPolarHBondContact O-CG 3.07Å; S592-L596 PolarHBondContact O-N 3.42Å
593	K	81.1	Confident	81.6	Confident	136 Å²	136	63.9 Å²	63.9	59%	0.591	36%	0.364	S	S	*	.	H	α-helix	trans	-58.3	-43.1	177.5	-176.4	179.9	177.8	-177.7	0	111.9	P589 L590 V591 L596 L597	P589-K593 WeakPolarHBondContact O-CB 3.3Å; P589-K593 PolarHBondContact O-N 2.75Å; L590-K593 PolarHBondContact O-N 3.35Å; V591-K593 PolarHBondContact O-N 2.82Å; K593-L596 PolarHBondContact O-N 3.02Å; K593-L597 WeakPolarHBondContact O-CG 3.44Å; K593-L597 PolarHBondContact O-N 2.82Å
594	Q	84	Confident	81.5	Confident	33 Å²	33	59.9 Å²	59.9	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-69.2	-39.7	178.7	-67.7	-61	-32.1	0	0	112.8	L331 N334 L335 L590 V591 S592 L596 L597 L598	L331-Q594 HydrophobicContact CD2-CB 3.42Å; L331-Q594 VanDerWaalsContact CD2-CB 3.42Å; L331-Q594 HydrophobicContact CD2-CG 4.25Å; N334-Q594 PolarHBondContact ND2-OE1 3.07Å; L335-Q594 HydrophobicContact CD1-CG 4.06Å; L335-Q594 HydrophobicContact CD2-CG 3.66Å; L335-Q594 HydrophobicContact CG-CG 3.84Å; L590-Q594 WeakPolarHBondContact O-CG 3.39Å; L590-Q594 PolarHBondContact O-N 2.95Å; L590-Q594 VanDerWaalsContact O-N 3.12Å; V591-Q594 PolarHBondContact O-N 3.21Å; S592-Q594 VanDerWaalsContact C-N 3.31Å; S592-Q594 PolarHBondContact O-N 2.93Å; Q594-L596 VanDerWaalsContact C-N 3.31Å; Q594-L596 PolarHBondContact O-N 3.43Å; Q594-L597 WeakPolarHBondContact O-CB 3.38Å; Q594-L597 PolarHBondContact O-N 3Å; Q594-L598 WeakPolarHBondContact O-CG 3.33Å; Q594-L598 PolarHBondContact O-N 2.73Å
595	I	83.8	Confident	81.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-41.7	175.2	-70.5	169.5	0	0	0	110.8	C391 P392 F393 I579 V591 S592 L597 L598 K599 M604	C391-I595 VanDerWaalsContact SG-CB 3.56Å; C391-I595 WeakPolarHBondContact SG-CG2 3.02Å; P392-I595 WeakPolarHBondContact O-CG2 3.37Å; F393-I595 HydrophobicContact CB-CD1 4.41Å; F393-I595 HydrophobicContact CB-CG2 3.88Å; I579-I595 HydrophobicContact CD1-CD1 3.94Å; I579-I595 HydrophobicContact CG1-CD1 4.24Å; V591-I595 HydrophobicContact CG1-CD1 3.67Å; V591-I595 HydrophobicContact CG1-CG1 4.26Å; V591-I595 WeakPolarHBondContact O-CG1 3.2Å; V591-I595 PolarHBondContact O-N 3.34Å; S592-I595 PolarHBondContact O-N 3.32Å; I595-L597 VanDerWaalsContact C-N 3.32Å; I595-L597 PolarHBondContact O-N 2.88Å; I595-L598 PolarHBondContact O-N 3.31Å; I595-K599 PolarHBondContact O-N 3.46Å; I595-M604 HydrophobicContact CG2-CE 4.07Å
596	L	78.4	Confident	81.1	Confident	98 Å²	98	63.1 Å²	63.1	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-39.3	175.5	-69.6	173.4	0	0	0	112.2	C391 S592 K593 Q594 K599 A600	C391-L596 HydrophobicContact CB-CD2 4.44Å; C391-L596 HydrophobicContact CB-CG 4.45Å; S592-L596 WeakPolarHBondContact O-CG 3.07Å; S592-L596 PolarHBondContact O-N 3.42Å; K593-L596 PolarHBondContact O-N 3.02Å; Q594-L596 VanDerWaalsContact C-N 3.31Å; Q594-L596 PolarHBondContact O-N 3.43Å; L596-K599 PolarHBondContact O-N 3.27Å; L596-A600 WeakPolarHBondContact O-CB 3.37Å; L596-A600 PolarHBondContact O-N 2.76Å
597	L	80.9	Confident	81.1	Confident	81 Å²	81	55.6 Å²	55.6	42%	0.424	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-46.3	174.9	-67.6	170.8	0	0	0	111.4	K593 Q594 I595 K599 A600 D601	K593-L597 WeakPolarHBondContact O-CG 3.44Å; K593-L597 PolarHBondContact O-N 2.82Å; Q594-L597 WeakPolarHBondContact O-CB 3.38Å; Q594-L597 PolarHBondContact O-N 3Å; I595-L597 VanDerWaalsContact C-N 3.32Å; I595-L597 PolarHBondContact O-N 2.88Å; L597-K599 VanDerWaalsContact C-N 3.27Å; L597-K599 PolarHBondContact O-N 3.41Å; L597-A600 PolarHBondContact O-N 3.03Å; L597-A600 VanDerWaalsContact O-N 3.11Å; L597-D601 PolarHBondContact O-N 3.26Å
598	L	83.2	Confident	80.7	Confident	10 Å²	10	56.2 Å²	56.2	5%	0.052	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-33.3	176.7	-67.2	175.5	0	0	0	112.9	T330 Q594 I595 G602 F603 M604	T330-L598 HydrophobicContact CG2-CD1 3.93Å; T330-L598 HydrophobicContact CG2-CD2 3.6Å; T330-L598 HydrophobicContact CG2-CG 4.4Å; Q594-L598 WeakPolarHBondContact O-CG 3.33Å; Q594-L598 PolarHBondContact O-N 2.73Å; I595-L598 PolarHBondContact O-N 3.31Å; L598-G602 PolarHBondContact O-N 3.46Å; L598-F603 HydrophobicContact CB-CB 4.34Å; L598-F603 HydrophobicContact CB-CD1 4.27Å; L598-F603 HydrophobicContact CD1-CD1 4.3Å; L598-F603 HydrophobicContact CD2-CB 4.29Å; L598-F603 HydrophobicContact CD2-CD1 3.83Å; L598-F603 HydrophobicContact CD2-CE1 4.43Å; L598-F603 HydrophobicContact CD2-CG 4.2Å; L598-F603 HydrophobicContact CG-CD1 4.35Å; L598-F603 WeakPolarHBondContact O-CB 2.99Å; L598-F603 PolarHBondContact O-N 3.08Å; L598-M604 HydrophobicContact CB-CE 3.93Å; L598-M604 HydrophobicContact CD1-CE 4.3Å
599	K	77.2	Confident	80.3	Confident	73 Å²	73	62.5 Å²	62.5	32%	0.317	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-46.7	171.6	-84	-177.6	156.1	-174.2	0	111.8	P392 I595 L596 L597 D601 G602 M604	P392-K599 WeakPolarHBondContact O-CE 3.41Å; P392-K599 PolarHBondContact O-NZ 3.26Å; I595-K599 PolarHBondContact O-N 3.46Å; L596-K599 PolarHBondContact O-N 3.27Å; L597-K599 VanDerWaalsContact C-N 3.27Å; L597-K599 PolarHBondContact O-N 3.41Å; K599-D601 VanDerWaalsContact C-N 3.29Å; K599-D601 PolarHBondContact O-N 2.93Å; K599-G602 PolarHBondContact O-N 3.1Å; K599-G602 VanDerWaalsContact O-N 3.11Å; K599-M604 HydrophobicContact CG-CB 4.48Å; K599-M604 HydrophobicContact CG-CG 3.66Å
600	A	72.9	Confident	80.1	Confident	83 Å²	83	62.2 Å²	62.2	69%	0.686	33%	0.331	S	S	*	.	H	α-helix	trans	-62.4	-36.8	179.3	0	0	0	0	0	112.3	L596 L597 G602	L596-A600 WeakPolarHBondContact O-CB 3.37Å; L596-A600 PolarHBondContact O-N 2.76Å; L597-A600 PolarHBondContact O-N 3.03Å; L597-A600 VanDerWaalsContact O-N 3.11Å; A600-G602 PolarHBondContact O-N 2.95Å
601	D	79	Confident	79.6	Confident	124 Å²	124	59 Å²	59	66%	0.663	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-3.6	177.3	-66.5	-15.1	0	0	0	113.3	L597 K599 F603	L597-D601 PolarHBondContact O-N 3.26Å; K599-D601 VanDerWaalsContact C-N 3.29Å; K599-D601 PolarHBondContact O-N 2.93Å; D601-F603 PolarHBondContact O-N 3.41Å
602	G	77.3	Confident	78.9	Confident	35 Å²	35	58.9 Å²	58.9	36%	0.361	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	8.6	-178.6	0	0	0	0	0	114.5	L598 K599 A600 M604 G605 Q606	L598-G602 PolarHBondContact O-N 3.46Å; K599-G602 PolarHBondContact O-N 3.1Å; K599-G602 VanDerWaalsContact O-N 3.11Å; A600-G602 PolarHBondContact O-N 2.95Å; G602-M604 VanDerWaalsContact C-N 3.3Å; G602-M604 PolarHBondContact O-N 3.4Å; G602-G605 PolarHBondContact O-N 2.96Å; G602-G605 VanDerWaalsContact O-N 3.08Å; G602-Q606 PolarHBondContact O-N 2.92Å
603	F	82.5	Confident	77.9	Confident	49 Å²	49	61.8 Å²	61.8	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-38.4	-178.9	-175.7	-112.9	0	0	0	112.2	T330 L598 D601 G605 Q606 L607	T330-F603 HydrophobicContact CG2-CE1 4.24Å; L598-F603 HydrophobicContact CB-CB 4.34Å; L598-F603 HydrophobicContact CB-CD1 4.27Å; L598-F603 HydrophobicContact CD1-CD1 4.3Å; L598-F603 HydrophobicContact CD2-CB 4.29Å; L598-F603 HydrophobicContact CD2-CD1 3.83Å; L598-F603 HydrophobicContact CD2-CE1 4.43Å; L598-F603 HydrophobicContact CD2-CG 4.2Å; L598-F603 HydrophobicContact CG-CD1 4.35Å; L598-F603 WeakPolarHBondContact O-CB 2.99Å; L598-F603 PolarHBondContact O-N 3.08Å; D601-F603 PolarHBondContact O-N 3.41Å; F603-G605 VanDerWaalsContact C-N 3.25Å; F603-G605 PolarHBondContact O-N 3.38Å; F603-Q606 WeakPolarHBondContact O-CB 3.42Å; F603-Q606 PolarHBondContact O-N 2.94Å; F603-L607 HydrophobicContact CD1-CD1 3.92Å; F603-L607 HydrophobicContact CD1-CG 4.22Å; F603-L607 HydrophobicContact CE1-CD1 3.47Å; F603-L607 VanDerWaalsContact CE1-CD1 3.47Å; F603-L607 HydrophobicContact CE1-CD2 4.33Å; F603-L607 HydrophobicContact CE1-CG 3.87Å; F603-L607 HydrophobicContact CE2-CG 4.49Å; F603-L607 HydrophobicContact CZ-CD1 4.03Å; F603-L607 HydrophobicContact CZ-CD2 4.03Å; F603-L607 HydrophobicContact CZ-CG 4.01Å; F603-L607 PolarHBondContact O-N 3.44Å
604	M	79.3	Confident	76.7	Confident	16 Å²	16	61.9 Å²	61.9	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-36.2	175.7	-63.7	-58.4	178.1	0	0	112.4	Y323 I327 F393 I595 L598 K599 G602 K608	Y323-M604 PolarHBondContact OH-SD 3.08Å; Y323-M604 VanDerWaalsContact OH-SD 3.34Å; I327-M604 HydrophobicContact CD1-CE 4.02Å; I327-M604 HydrophobicContact CD1-SD 3.88Å; I327-M604 HydrophobicContact CG1-CE 4.29Å; I327-M604 HydrophobicContact CG1-SD 4.3Å; F393-M604 HydrophobicContact CB-CE 3.88Å; F393-M604 HydrophobicContact CB-SD 4.42Å; I595-M604 HydrophobicContact CG2-CE 4.07Å; L598-M604 HydrophobicContact CB-CE 3.93Å; L598-M604 HydrophobicContact CD1-CE 4.3Å; K599-M604 HydrophobicContact CG-CB 4.48Å; K599-M604 HydrophobicContact CG-CG 3.66Å; G602-M604 VanDerWaalsContact C-N 3.3Å; G602-M604 PolarHBondContact O-N 3.4Å; M604-K608 WeakPolarHBondContact O-CB 3.46Å; M604-K608 PolarHBondContact O-N 2.67Å
605	G	74.7	Confident	75.3	Confident	41 Å²	41	61.2 Å²	61.2	42%	0.423	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-34.3	175.1	0	0	0	0	0	113	G602 F603 K609	G602-G605 PolarHBondContact O-N 2.96Å; G602-G605 VanDerWaalsContact O-N 3.08Å; F603-G605 VanDerWaalsContact C-N 3.25Å; F603-G605 PolarHBondContact O-N 3.38Å; G605-K609 WeakPolarHBondContact O-CG 3.32Å; G605-K609 PolarHBondContact O-N 3.48Å; G605-K609 VanDerWaalsContact O-N 3.16Å
606	Q	79.4	Confident	73.7	Confident	124 Å²	124	61.5 Å²	61.5	58%	0.579	33%	0.331	S	S	*	.	H	α-helix	trans	-68.6	-46.7	175	-60.9	177.6	8.8	0	0	111.1	G602 F603 K608 K609 K610	G602-Q606 PolarHBondContact O-N 2.92Å; F603-Q606 WeakPolarHBondContact O-CB 3.42Å; F603-Q606 PolarHBondContact O-N 2.94Å; Q606-K608 VanDerWaalsContact C-N 3.32Å; Q606-K608 PolarHBondContact O-N 3.04Å; Q606-K609 PolarHBondContact O-N 3.41Å; Q606-K610 PolarHBondContact O-N 3.48Å
607	L	82.6	Confident	72.2	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-39.4	176	-70.6	-175.7	0	0	0	111.9	Y323 D326 I327 F603 K609 K610 W611	Y323-L607 HydrophobicContact CD2-CB 3.6Å; Y323-L607 HydrophobicContact CD2-CD1 4.48Å; Y323-L607 HydrophobicContact CE2-CB 3.35Å; Y323-L607 HydrophobicContact CE2-CD1 4.32Å; D326-L607 HydrophobicContact CB-CD1 4.16Å; D326-L607 HydrophobicContact CB-CD2 3.68Å; D326-L607 WeakPolarHBondContact OD2-CD2 3.2Å; I327-L607 HydrophobicContact CD1-CD1 4.38Å; I327-L607 HydrophobicContact CG1-CD1 3.68Å; F603-L607 HydrophobicContact CD1-CD1 3.92Å; F603-L607 HydrophobicContact CD1-CG 4.22Å; F603-L607 HydrophobicContact CE1-CD1 3.47Å; F603-L607 VanDerWaalsContact CE1-CD1 3.47Å; F603-L607 HydrophobicContact CE1-CD2 4.33Å; F603-L607 HydrophobicContact CE1-CG 3.87Å; F603-L607 HydrophobicContact CE2-CG 4.49Å; F603-L607 HydrophobicContact CZ-CD1 4.03Å; F603-L607 HydrophobicContact CZ-CD2 4.03Å; F603-L607 HydrophobicContact CZ-CG 4.01Å; F603-L607 PolarHBondContact O-N 3.44Å; L607-K609 PolarHBondContact O-N 3.5Å; L607-K610 HydrophobicContact CD2-CD 4.47Å; L607-K610 PolarHBondContact O-N 3.48Å; L607-W611 WeakPolarHBondContact O-CB 3.27Å; L607-W611 VanDerWaalsContact O-CD1 3.25Å; L607-W611 PolarHBondContact O-N 3.42Å
608	K	77.3	Confident	70.8	Confident	66 Å²	66	61.8 Å²	61.8	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-47.3	175	-176	174	179.3	171.9	0	110.9	E556 M604 Q606 K610 W611 W612	E556-K608 IonicContact OE1-NZ 3.82Å; E556-K608 IonicContact OE2-NZ 3.91Å; M604-K608 WeakPolarHBondContact O-CB 3.46Å; M604-K608 PolarHBondContact O-N 2.67Å; Q606-K608 VanDerWaalsContact C-N 3.32Å; Q606-K608 PolarHBondContact O-N 3.04Å; K608-K610 PolarHBondContact O-N 3.42Å; K608-W611 PolarHBondContact O-N 3.22Å; K608-W612 HydrophobicContact CG-CD2 4.44Å; K608-W612 HydrophobicContact CG-CE3 4.23Å; K608-W612 WeakPolarHBondContact O-CB 3.2Å; K608-W612 PolarHBondContact O-N 3.3Å
609	K	73.9	Confident	69.1	Low	139 Å²	139	67.5 Å²	67.5	60%	0.604	37%	0.371	S	S	*	.	I	π-helix	trans	-59.9	-45.4	176.3	-73.2	179.4	-179.7	-179	0	112.1	G605 Q606 L607 N613 E614	G605-K609 WeakPolarHBondContact O-CG 3.32Å; G605-K609 PolarHBondContact O-N 3.48Å; G605-K609 VanDerWaalsContact O-N 3.16Å; Q606-K609 PolarHBondContact O-N 3.41Å; L607-K609 PolarHBondContact O-N 3.5Å; K609-N613 WeakPolarHBondContact O-CA 3.48Å; K609-N613 VanDerWaalsContact O-CB 3.24Å; K609-N613 WeakPolarHBondContact O-CB 3.34Å; K609-N613 PolarHBondContact O-N 2.84Å; K609-E614 PolarHBondContact O-N 3.33Å
610	K	77.6	Confident	67.9	Low	84 Å²	84	66.1 Å²	66.1	37%	0.365	37%	0.37	S	S	.	.	I	π-helix	trans	-58.9	-52.7	177.3	-177.9	-175.6	175	-169.5	0	111.8	D326 Q606 L607 K608 E614	D326-K610 IonicContact OD1-NZ 3.11Å; D326-K610 IonicContact OD2-NZ 2.71Å; D326-K610 PolarHBondContact OD2-NZ 3.03Å; Q606-K610 PolarHBondContact O-N 3.48Å; L607-K610 HydrophobicContact CD2-CD 4.47Å; L607-K610 PolarHBondContact O-N 3.48Å; K608-K610 PolarHBondContact O-N 3.42Å; K610-E614 WeakPolarHBondContact O-CB 3.21Å
611	W	76.2	Confident	66.7	Low	17 Å²	17	70.6 Å²	70.6	6%	0.064	38%	0.377	C	S	.	.	I	π-helix	trans	-84.2	-27.8	-171.7	-69.2	104.1	0	0	0	114.3	P306 Y321 G322 Y323 D326 L607 K608 S615	P306-W611 HydrophobicContact CB-CB 4.31Å; Y321-W611 AromaticContact CD2-CH2 3.57Å; Y321-W611 HydrophobicContact CD2-CH2 3.57Å; Y321-W611 AromaticContact CD2-CZ3 3.72Å; Y321-W611 HydrophobicContact CD2-CZ3 3.72Å; Y321-W611 HydrophobicContact CE2-CH2 4.47Å; Y321-W611 HydrophobicContact CE2-CZ3 4.23Å; Y321-W611 HydrophobicContact CG-CH2 4.27Å; G322-W611 WeakPolarHBondContact O-CZ2 3.39Å; Y323-W611 HydrophobicContact CD2-CB 4.39Å; Y323-W611 AromaticContact CD2-CD1 3.8Å; Y323-W611 HydrophobicContact CD2-CG 4.35Å; D326-W611 WeakPolarHBondContact OD2-CZ2 3.4Å; D326-W611 PolarHBondContact OD2-NE1 3.15Å; L607-W611 WeakPolarHBondContact O-CB 3.27Å; L607-W611 VanDerWaalsContact O-CD1 3.25Å; L607-W611 PolarHBondContact O-N 3.42Å; K608-W611 PolarHBondContact O-N 3.22Å; W611-S615 WeakPolarHBondContact O-CB 3.27Å; W611-S615 PolarHBondContact O-OG 3.39Å; W611-S615 VanDerWaalsContact O-OG 3.09Å
612	W	71.3	Confident	65	Low	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.381	C	S	.	.	I	π-helix	trans	-96.4	-49.6	177.8	-82.4	-108.3	0	0	0	112.7	P306 F307 Y323 P553 M560 K608 G616	P306-W612 HydrophobicContact CB-CD2 4.34Å; P306-W612 HydrophobicContact CB-CE3 4.19Å; P306-W612 HydrophobicContact CB-CH2 3.72Å; P306-W612 HydrophobicContact CB-CZ2 3.88Å; P306-W612 HydrophobicContact CB-CZ3 3.88Å; P306-W612 HydrophobicContact CG-CH2 3.86Å; P306-W612 HydrophobicContact CG-CZ2 3.58Å; P306-W612 HydrophobicContact CG-CZ3 4.48Å; F307-W612 HydrophobicContact CD1-CH2 4.39Å; F307-W612 AromaticContact CE1-CH2 3.75Å; F307-W612 HydrophobicContact CE1-CH2 3.75Å; F307-W612 HydrophobicContact CE1-CZ2 4.27Å; F307-W612 HydrophobicContact CE2-CH2 4.14Å; F307-W612 AromaticContact CE2-CZ2 3.98Å; F307-W612 HydrophobicContact CE2-CZ2 3.98Å; F307-W612 AromaticContact CZ-CH2 3.59Å; F307-W612 HydrophobicContact CZ-CH2 3.59Å; F307-W612 AromaticContact CZ-CZ2 3.63Å; F307-W612 HydrophobicContact CZ-CZ2 3.63Å; Y323-W612 HydrophobicContact CD2-CE3 4.47Å; Y323-W612 HydrophobicContact CD2-CH2 4.36Å; Y323-W612 AromaticContact CD2-CZ3 3.56Å; Y323-W612 HydrophobicContact CD2-CZ3 3.56Å; Y323-W612 HydrophobicContact CE2-CZ3 4.12Å; Y323-W612 HydrophobicContact CG-CH2 4.33Å; Y323-W612 AromaticContact CG-CZ3 3.91Å; Y323-W612 HydrophobicContact CG-CZ3 3.91Å; P553-W612 HydrophobicContact CB-CZ2 4.01Å; P553-W612 PolarHBondContact O-NE1 3.11Å; M560-W612 HydrophobicContact CE-CB 3.81Å; M560-W612 HydrophobicContact CE-CG 4.12Å; K608-W612 HydrophobicContact CG-CD2 4.44Å; K608-W612 HydrophobicContact CG-CE3 4.23Å; K608-W612 WeakPolarHBondContact O-CB 3.2Å; K608-W612 PolarHBondContact O-N 3.3Å; W612-G616 WeakPolarHBondContact O-CA 3.32Å; W612-G616 PolarHBondContact O-N 3.23Å; W612-G616 VanDerWaalsContact O-N 3.08Å
613	N	63.5	Low	63.4	Low	83 Å²	83	77.5 Å²	77.5	44%	0.444	40%	0.397	S	S	.	.	I	π-helix	trans	-79.2	-32.2	-173.7	-61.8	-2.5	0	0	0	113.5	K609 K617	K609-N613 WeakPolarHBondContact O-CA 3.48Å; K609-N613 VanDerWaalsContact O-CB 3.24Å; K609-N613 WeakPolarHBondContact O-CB 3.34Å; K609-N613 PolarHBondContact O-N 2.84Å; N613-K617 WeakPolarHBondContact O-CG 3.41Å
614	E	56.5	Low	61.1	Low	137 Å²	137	81.7 Å²	81.7	64%	0.64	42%	0.417	S	S	*	.	I	π-helix	trans	-90.2	-33.3	-179	-53.4	-179.1	159.7	0	0	112.3	K609 K610	K609-E614 PolarHBondContact O-N 3.33Å; K610-E614 WeakPolarHBondContact O-CB 3.21Å
615	S	53.3	Low	59	Low	20 Å²	20	86.3 Å²	86.3	14%	0.14	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-34.6	179.5	-46	0	0	0	0	112.3	W611	W611-S615 WeakPolarHBondContact O-CB 3.27Å; W611-S615 PolarHBondContact O-OG 3.39Å; W611-S615 VanDerWaalsContact O-OG 3.09Å
616	G	49.7	Very low	56.9	Low	6 Å²	6	93 Å²	93	6%	0.062	47%	0.466	C	S	.	.	S	Bend	trans	-84.1	-2.5	-176.7	0	0	0	0	0	115.1	M560 W612 G618	M560-G616 CarbonylContact C-O 3.59Å; M560-G616 WeakPolarHBondContact CB-O 3.09Å; W612-G616 WeakPolarHBondContact O-CA 3.32Å; W612-G616 PolarHBondContact O-N 3.23Å; W612-G616 VanDerWaalsContact O-N 3.08Å; G616-G618 PolarHBondContact O-N 3.3Å
617	K	47.4	Very low	54.6	Low	163 Å²	163	90.6 Å²	90.6	71%	0.709	46%	0.463	S	S	*	.			trans	-70	75.9	172.7	-86.5	179.6	-179.6	-176.2	0	110.8	N613	N613-K617 WeakPolarHBondContact O-CG 3.41Å
618	G	51	Low	52.2	Low	22 Å²	22	99.6 Å²	99.6	23%	0.227	51%	0.505	C	S	.	.	S	Bend	trans	-56.2	161.2	136.9	0	0	0	0	0	108.4	G616 C620	G616-G618 PolarHBondContact O-N 3.3Å; G618-C620 PolarHBondContact O-N 3.11Å
619	S	49.4	Very low	49.7	Very low	129 Å²	129	103.9 Å²	103.9	90%	0.902	53%	0.526	S	S	*	.	S	Bend	trans	-65.3	28.3	-177.9	54.2	0	0	0	0	115.1	E621	S619-E621 PolarHBondContact O-N 3.05Å
620	C	51.1	Low	47.7	Very low	44 Å²	44	101.9 Å²	101.9	30%	0.297	53%	0.525	S	S	.	.			trans	-77.7	114.7	173.2	-45	0	0	0	0	108.6	C563 G618 Y622	C563-C620 WeakPolarHBondContact CA-SG 3.27Å; C563-C620 HydrophobicContact CB-CB 4.01Å; C563-C620 WeakPolarHBondContact CB-SG 3.47Å; C563-C620 PolarHBondContact N-SG 3.32Å; C563-C620 WeakPolarHBondContact SG-CA 3.41Å; C563-C620 WeakPolarHBondContact SG-CB 3.33Å; C563-C620 CovalentContact SG-SG 2.02Å; C563-C620 PolarHBondContact SG-SG 3.48Å; G618-C620 PolarHBondContact O-N 3.11Å; C620-Y622 PolarHBondContact O-N 2.76Å; C620-Y622 VanDerWaalsContact O-N 3.09Å
621	E	47.9	Very low	45.4	Very low	178 Å²	178	103.2 Å²	103.2	83%	0.832	54%	0.536	S	S	*	.			trans	-66.4	109.1	169.5	-162.3	165.3	-160	0	0	107.4	S619 V623	S619-E621 PolarHBondContact O-N 3.05Å; E621-V623 VanDerWaalsContact C-N 3.32Å; E621-V623 PolarHBondContact O-N 3.07Å
622	Y	42.8	Very low	43.3	Very low	188 Å²	188	109.1 Å²	109.1	74%	0.737	57%	0.566	S	S	*	*			trans	-64.9	95	176.3	179.8	-102.1	0	0	0	108.4	C620 E624	C620-Y622 PolarHBondContact O-N 2.76Å; C620-Y622 VanDerWaalsContact O-N 3.09Å; Y622-E624 HydrophobicContact CD1-CG 4.02Å; Y622-E624 HydrophobicContact CE1-CB 4.39Å; Y622-E624 HydrophobicContact CE1-CG 3.39Å; Y622-E624 PolarHBondContact O-N 3.41Å
623	V	43.1	Very low	41.8	Very low	116 Å²	116	118 Å²	118	70%	0.703	60%	0.601	S	S	*	*			trans	-80.6	101.9	169.1	-174.5	0	0	0	0	105.5	E621	E621-V623 VanDerWaalsContact C-N 3.32Å; E621-V623 PolarHBondContact O-N 3.07Å
624	E	34.5	Very low	40.5	Very low	136 Å²	136	120.1 Å²	120.1	64%	0.636	61%	0.612	S	S	*	*			trans	-46.6	133	165.5	-83.7	-179.9	166.2	0	0	107.8	Y622 K626	Y622-E624 HydrophobicContact CD1-CG 4.02Å; Y622-E624 HydrophobicContact CE1-CB 4.39Å; Y622-E624 HydrophobicContact CE1-CG 3.39Å; Y622-E624 PolarHBondContact O-N 3.41Å; E624-K626 PolarHBondContact O-N 3.15Å
625	P	36.4	Very low	39.3	Very low	113 Å²	113	116.6 Å²	116.6	73%	0.734	60%	0.598	S	S	*	*			trans	-64.4	91.2	172.2	27.1	-30.8	0	0	0	105.5	S627	P625-S627 VanDerWaalsContact C-N 3.26Å; P625-S627 PolarHBondContact O-N 3.5Å
626	K	30.3	Very low	38.3	Very low	181 Å²	181	119 Å²	119	79%	0.787	61%	0.611	S	S	*	*			trans	-55.3	106	165.8	-75.7	-175.7	176.4	-176.8	0	103.6	E624 E628	E624-K626 PolarHBondContact O-N 3.15Å; K626-E628 VanDerWaalsContact C-N 3.33Å; K626-E628 PolarHBondContact O-N 3.02Å
627	S	31.7	Very low	37.6	Very low	75 Å²	75	122.9 Å²	122.9	52%	0.524	64%	0.636	S	S	.	*			trans	-41.3	117.1	141.1	41.4	0	0	0	0	103.8	P625 E629	P625-S627 VanDerWaalsContact C-N 3.26Å; P625-S627 PolarHBondContact O-N 3.5Å; S627-E629 PolarHBondContact O-N 3.46Å
628	E	30.9	Very low	37	Very low	195 Å²	195	119.4 Å²	119.4	91%	0.911	63%	0.628	S	S	*	*			trans	-67.5	65.2	165.5	-82.7	177.9	150.7	0	0	106.4	K626 V630	K626-E628 VanDerWaalsContact C-N 3.33Å; K626-E628 PolarHBondContact O-N 3.02Å; E628-V630 PolarHBondContact O-N 3.46Å
629	E	25.3	Very low	36.1	Very low	156 Å²	156	124 Å²	124	73%	0.729	64%	0.642	S	S	*	*			trans	-75.5	110.6	157.2	-79.5	176.2	168.9	0	0	104.1	S627 D631	S627-E629 PolarHBondContact O-N 3.46Å; E629-D631 PolarHBondContact O-N 3.26Å
630	V	30.8	Very low	35.1	Very low	97 Å²	97	122 Å²	122	59%	0.588	63%	0.627	S	S	*	*			trans	-54	107.4	171	178	0	0	0	0	106.7	E628 M632 D634 L635	E628-V630 PolarHBondContact O-N 3.46Å; V630-M632 PolarHBondContact O-N 3.35Å; V630-D634 HydrophobicContact CG1-CB 4.46Å; V630-L635 HydrophobicContact CB-CD1 4.45Å; V630-L635 HydrophobicContact CG1-CD1 3.75Å; V630-L635 HydrophobicContact CG1-CD2 4.35Å; V630-L635 HydrophobicContact CG1-CG 3.8Å
631	D	29.8	Very low	34.2	Very low	112 Å²	112	125.5 Å²	125.5	60%	0.599	65%	0.647	S	S	*	*			trans	-65	137	-175.7	-150.4	-16.1	0	0	0	108.5	E629 Y633 D634	E629-D631 PolarHBondContact O-N 3.26Å; D631-Y633 PolarHBondContact O-N 2.93Å; D631-D634 PolarHBondContact O-N 3.28Å
632	M	32	Very low	33.3	Very low	140 Å²	140	123.7 Å²	123.7	69%	0.69	64%	0.643	S	S	*	*	H	α-helix	trans	-59.1	-26.1	-164	-166.5	171.7	81.2	0	0	112.3	V630 D634 L635 V636	V630-M632 PolarHBondContact O-N 3.35Å; M632-D634 VanDerWaalsContact C-N 3.29Å; M632-D634 PolarHBondContact O-N 3.07Å; M632-L635 CarbonylContact O-C 3.58Å; M632-L635 PolarHBondContact O-N 2.66Å; M632-L635 VanDerWaalsContact O-N 3.08Å; M632-V636 WeakPolarHBondContact O-CG2 3.45Å; M632-V636 PolarHBondContact O-N 3.11Å; M632-V636 VanDerWaalsContact O-N 3.08Å
633	Y	40.6	Very low	32.6	Very low	186 Å²	186	119.9 Å²	119.9	73%	0.729	64%	0.639	S	S	*	*	H	α-helix	trans	-63.5	-28.5	176.6	-73.3	-75.6	0	0	0	114.1	D631 L635 V636	D631-Y633 PolarHBondContact O-N 2.93Å; Y633-L635 PolarHBondContact O-N 3.29Å; Y633-V636 HydrophobicContact CD1-CG2 4.23Å; Y633-V636 PolarHBondContact O-N 3Å
634	D	36.1	Very low	31.9	Very low	128 Å²	128	120.3 Å²	120.3	68%	0.684	64%	0.642	S	S	*	*	H	α-helix	trans	-75.7	-16.3	175.6	-70	-24.9	0	0	0	112.1	V630 D631 M632	V630-D634 HydrophobicContact CG1-CB 4.46Å; D631-D634 PolarHBondContact O-N 3.28Å; M632-D634 VanDerWaalsContact C-N 3.29Å; M632-D634 PolarHBondContact O-N 3.07Å
635	L	32.1	Very low	31.6	Very low	63 Å²	63	122.9 Å²	122.9	33%	0.33	65%	0.654	S	S	.	*	H	α-helix	trans	-102.1	-8.2	175.2	-64.4	169	0	0	0	113.3	V630 M632 Y633 P637 V638 F639	V630-L635 HydrophobicContact CB-CD1 4.45Å; V630-L635 HydrophobicContact CG1-CD1 3.75Å; V630-L635 HydrophobicContact CG1-CD2 4.35Å; V630-L635 HydrophobicContact CG1-CG 3.8Å; M632-L635 CarbonylContact O-C 3.58Å; M632-L635 PolarHBondContact O-N 2.66Å; M632-L635 VanDerWaalsContact O-N 3.08Å; Y633-L635 PolarHBondContact O-N 3.29Å; L635-P637 VanDerWaalsContact C-CD 3.42Å; L635-P637 VanDerWaalsContact C-N 3.31Å; L635-V638 PolarHBondContact O-N 3.09Å; L635-F639 HydrophobicContact CB-CD2 3.71Å; L635-F639 HydrophobicContact CB-CE2 3.77Å; L635-F639 HydrophobicContact CD1-CE2 4.11Å; L635-F639 HydrophobicContact CD2-CE2 4.44Å; L635-F639 HydrophobicContact CG-CE2 4.33Å; L635-F639 WeakPolarHBondContact O-CD2 3.32Å; L635-F639 PolarHBondContact O-N 3.42Å
636	V	31.9	Very low	31.3	Very low	70 Å²	70	121.1 Å²	121.1	42%	0.424	66%	0.656	S	S	.	*	H	α-helix	trans	-55.2	-36.9	178.6	166.9	0	0	0	0	113.1	M632 Y633 V638 S640	M632-V636 WeakPolarHBondContact O-CG2 3.45Å; M632-V636 PolarHBondContact O-N 3.11Å; M632-V636 VanDerWaalsContact O-N 3.08Å; Y633-V636 HydrophobicContact CD1-CG2 4.23Å; Y633-V636 PolarHBondContact O-N 3Å; V636-V638 VanDerWaalsContact C-N 3.31Å; V636-V638 PolarHBondContact O-N 3.2Å; V636-S640 VanDerWaalsContact O-CB 3.23Å; V636-S640 WeakPolarHBondContact O-CB 3.29Å; V636-S640 PolarHBondContact O-N 3.36Å; V636-S640 PolarHBondContact O-OG 2.95Å
637	P	35	Very low	31	Very low	89 Å²	89	122.8 Å²	122.8	58%	0.578	66%	0.663	S	S	*	*	H	α-helix	trans	-70	-28.8	175	-19.4	32.9	0	0	0	113.1	L635 S640	L635-P637 VanDerWaalsContact C-CD 3.42Å; L635-P637 VanDerWaalsContact C-N 3.31Å; P637-S640 PolarHBondContact O-OG 3.42Å
638	V	33.6	Very low	30.6	Very low	90 Å²	90	128.8 Å²	128.8	55%	0.545	68%	0.68	S	S	.	*	H	α-helix	trans	-81.3	-33.6	-178.7	-177.5	0	0	0	0	110.9	L635 V636	L635-V638 PolarHBondContact O-N 3.09Å; V636-V638 VanDerWaalsContact C-N 3.31Å; V636-V638 PolarHBondContact O-N 3.2Å
639	F	32.2	Very low	30.4	Very low	119 Å²	119	129.2 Å²	129.2	52%	0.522	68%	0.682	S	S	.	*	H	α-helix	trans	-91.8	-20	-179.9	-72.9	-68.5	0	0	0	115.1	L635 V641 L642	L635-F639 HydrophobicContact CB-CD2 3.71Å; L635-F639 HydrophobicContact CB-CE2 3.77Å; L635-F639 HydrophobicContact CD1-CE2 4.11Å; L635-F639 HydrophobicContact CD2-CE2 4.44Å; L635-F639 HydrophobicContact CG-CE2 4.33Å; L635-F639 WeakPolarHBondContact O-CD2 3.32Å; L635-F639 PolarHBondContact O-N 3.42Å; F639-V641 PolarHBondContact O-N 3.38Å; F639-L642 PolarHBondContact O-N 2.99Å; F639-L642 VanDerWaalsContact O-N 3.15Å
640	S	28.9	Very low	30.4	Very low	85 Å²	85	129.3 Å²	129.3	59%	0.594	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-13.3	176.2	48.7	0	0	0	0	113.7	V636 P637	V636-S640 VanDerWaalsContact O-CB 3.23Å; V636-S640 WeakPolarHBondContact O-CB 3.29Å; V636-S640 PolarHBondContact O-N 3.36Å; V636-S640 PolarHBondContact O-OG 2.95Å; P637-S640 PolarHBondContact O-OG 3.42Å
641	V	32.6	Very low	30.1	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.715	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-18.4	176.8	178	0	0	0	0	113.4	F639	F639-V641 PolarHBondContact O-N 3.38Å
642	L	28.2	Very low	29.7	Very low	141 Å²	141	132.5 Å²	132.5	74%	0.738	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-0.1	-167.3	-88.3	161.9	0	0	0	116.4	F639	F639-L642 PolarHBondContact O-N 2.99Å; F639-L642 VanDerWaalsContact O-N 3.15Å
643	V	29.5	Very low	29.1	Very low	107 Å²	107	137.8 Å²	137.8	65%	0.648	71%	0.713	S	S	*	*			trans	-134.4	60	179.4	-162.7	0	0	0	0	111.4
644	T	28.2	Very low	28.2	Very low	125 Å²	125	136.3 Å²	136.3	77%	0.767	72%	0.716	S	S	*	*	S	Bend	trans	-108.7	76.4	148.6	46.3	0	0	0	0	107.7
645	E	28.1	Very low	27.6	Very low	191 Å²	191	137.9 Å²	137.9	89%	0.893	72%	0.719	S	S	*	*	S	Bend	trans	163.5	134.2	151.2	-93.2	169.9	-174.5	0	0	110.2
646	G	28.9	Very low	27	Very low	75 Å²	75	142.8 Å²	142.8	77%	0.773	74%	0.74	S	S	*	*			trans	125.7	77	168.9	0	0	0	0	0	115.1
647	K	24.3	Very low	26.5	Very low	217 Å²	217	147.9 Å²	147.9	94%	0.943	76%	0.763	S	S	*	*			trans	-63.6	138.3	173.3	-82.3	174.4	170.4	175.8	0	112.1
648	K	24.4	Very low	25.9	Very low	201 Å²	201	152.1 Å²	152.1	87%	0.874	78%	0.775	S	S	*	*			trans	-89.9	138.6	168.3	-73.3	177.6	173.9	178	0	110.4
649	E	26.3	Very low	25.3	Very low	203 Å²	203	153.9 Å²	153.9	95%	0.949	79%	0.786	S	S	*	*			trans	-111.2	154.6	167	-107	174.8	-177.9	0	0	110.8
650	H	24.8	Very low	24.9	Very low	159 Å²	159	156.3 Å²	156.3	74%	0.736	80%	0.803	S	S	*	*			trans	-117.4	159	-152.3	-108.7	-92.8	0	0	0	112
651	D	24	Very low	24.6	Very low	137 Å²	137	156.6 Å²	156.6	73%	0.733	81%	0.81	S	S	*	*			trans	71.3	107.3	148.7	-56.1	-16.3	0	0	0	121
652	V	21.6	Very low	24.1	Very low	139 Å²	139	160 Å²	160	84%	0.842	82%	0.818	S	S	*	*			trans	-154.5	104.3	145.5	-175.3	0	0	0	0	110.3
653	W	20.8	Very low	24	Very low	250 Å²	250	164.3 Å²	164.3	95%	0.947	83%	0.826	S	S	*	*			trans	-154.6	124	160.4	-88.4	89.1	0	0	0	109.3
654	I	20.9	Very low	23.8	Very low	156 Å²	156	168.7 Å²	168.7	80%	0.8	84%	0.839	S	S	*	*			trans	165.5	121.6	150.3	-83	151.2	0	0	0	108.4
655	H	22.4	Very low	23.6	Very low	160 Å²	160	167.9 Å²	167.9	74%	0.741	85%	0.845	S	S	*	*			trans	-175.8	110.5	146.3	-102.6	-72.6	0	0	0	109.2
656	Q	19.5	Very low	23.4	Very low	166 Å²	166	166.9 Å²	166.9	78%	0.776	84%	0.841	S	S	*	*				71.9	108.4	104.3	-84.8	-172.4	-27.2	0	0	117.2
657	I	22.8	Very low	23.2	Very low	178 Å²	178	169.8 Å²	169.8	91%	0.913	84%	0.839	S	S	*	*			trans	-142.7	132.5	152.2	-64.5	-175.2	0	0	0	109.1
658	Q	22.6	Very low	23.2	Very low	178 Å²	178	163.8 Å²	163.8	83%	0.832	83%	0.829	S	S	*	*			trans	-142.9	158	-180	-154.6	178.2	11.6	0	0	107.8
659	V	20.3	Very low	23.1	Very low	126 Å²	126	161.3 Å²	161.3	76%	0.764	83%	0.825	S	S	*	*			trans	90.9	116.6	166.8	-168.8	0	0	0	0	116.6
660	I	24.3	Very low	22.9	Very low	171 Å²	171	161 Å²	161	88%	0.877	82%	0.824	S	S	*	*				-171.4	121.2	125.4	-85.7	146.9	0	0	0	108.1
661	A	21.4	Very low	22.8	Very low	91 Å²	91	159 Å²	159	75%	0.752	82%	0.823	S	S	*	*			trans	-143.2	122.9	166.1	0	0	0	0	0	107
662	Q	23.7	Very low	22.7	Very low	190 Å²	190	162.2 Å²	162.2	89%	0.888	83%	0.833	S	S	*	*			trans	179.9	109.9	157.4	-105.6	169.2	1.1	0	0	110.5
663	Y	25.3	Very low	22.8	Very low	231 Å²	231	162.2 Å²	162.2	91%	0.906	82%	0.822	S	S	*	*			trans	-147.8	121.7	162.9	-102.5	-81.1	0	0	0	106.5
664	Q	24.4	Very low	22.8	Very low	198 Å²	198	159 Å²	159	93%	0.925	82%	0.82	S	S	*	*			trans	166.9	122.5	152.5	-98.6	178.3	-4	0	0	111.1
665	A	25.1	Very low	23.1	Very low	108 Å²	108	157.1 Å²	157.1	89%	0.893	82%	0.816	S	S	*	*			trans	-168	128.6	143.1	0	0	0	0	0	110
666	Q	23.8	Very low	23.2	Very low	170 Å²	170	155.4 Å²	155.4	79%	0.794	82%	0.818	S	S	*	*			trans	-98.6	156.6	-176.2	-97.9	176.3	-81.9	0	0	112.6
667	D	24.3	Very low	23.5	Very low	137 Å²	137	156.1 Å²	156.1	73%	0.733	82%	0.821	S	S	*	*			trans	46	115.5	135.4	-54.2	-28.5	0	0	0	121.8
668	A	24.3	Very low	23.7	Very low	90 Å²	90	152 Å²	152	74%	0.744	81%	0.813	S	S	*	*			trans	-177	123.4	138.7	0	0	0	0	0	112.1
669	L	22.9	Very low	23.9	Very low	149 Å²	149	150.5 Å²	150.5	78%	0.78	81%	0.812	S	S	*	*				159.7	109.3	126.4	-104.1	104	0	0	0	112
670	E	22.1	Very low	24.2	Very low	198 Å²	198	152.2 Å²	152.2	93%	0.925	81%	0.811	S	S	*	*			trans	-108.8	132.4	161.7	-72.5	-178.8	156.7	0	0	108.8
671	T	22.4	Very low	24.4	Very low	116 Å²	116	150.6 Å²	150.6	71%	0.712	81%	0.809	S	S	*	*			trans	-144.9	124.2	166.9	38.5	0	0	0	0	110.8
672	E	21.8	Very low	24.6	Very low	204 Å²	204	151.7 Å²	151.7	95%	0.953	80%	0.802	S	S	*	*			trans	-73.6	137.1	-176	-66.9	176.9	143.2	0	0	113.7
673	F	23.4	Very low	24.9	Very low	139 Å²	139	148 Å²	148	61%	0.61	80%	0.797	S	S	*	*			trans	-110.8	123.2	169.8	-95.1	-94	0	0	0	110.1	V831 L835	F673-V831 HydrophobicContact CE1-CG1 4.23Å; F673-V831 HydrophobicContact CZ-CG1 4.09Å; F673-L835 HydrophobicContact CE2-CD1 4.45Å; F673-L835 HydrophobicContact CZ-CD1 3.86Å; F673-L835 HydrophobicContact CZ-CD2 4.16Å; F673-L835 HydrophobicContact CZ-CG 4.17Å
674	M	21.2	Very low	25	Very low	183 Å²	183	145.1 Å²	145.1	90%	0.901	79%	0.792	S	S	*	*			trans	-88.2	121.2	172	-81	-165.4	76.6	0	0	111.6
675	V	26.4	Very low	25.1	Very low	117 Å²	117	144.1 Å²	144.1	71%	0.709	79%	0.785	S	S	*	*			trans	-99.6	114.7	172.1	-178.8	0	0	0	0	108.7	H677	V675-H677 PolarHBondContact O-N 3.44Å
676	P	24.8	Very low	25.2	Very low	123 Å²	123	142 Å²	142	80%	0.799	77%	0.767	S	S	*	*			trans	-77	120.6	-177.8	-9.4	25.2	0	0	0	111.3
677	H	25.5	Very low	25.6	Very low	182 Å²	182	138.7 Å²	138.7	84%	0.843	76%	0.758	S	S	*	*			trans	-70.3	140.3	172.2	-81.1	-70.7	0	0	0	112.1	V675 N679	V675-H677 PolarHBondContact O-N 3.44Å; H677-N679 PolarHBondContact O-N 3.41Å; H677-N679 VanDerWaalsContact O-N 3.1Å
678	A	28.1	Very low	25.9	Very low	90 Å²	90	136.2 Å²	136.2	74%	0.744	75%	0.752	S	S	*	*	S	Bend	trans	-63.5	103	177.7	0	0	0	0	0	111
679	N	26	Very low	26.1	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	75%	0.754	S	S	*	*			trans	-176	132.3	144.3	-87	-19.6	0	0	0	111	H677	H677-N679 PolarHBondContact O-N 3.41Å; H677-N679 VanDerWaalsContact O-N 3.1Å
680	E	27.9	Very low	26.3	Very low	162 Å²	162	136.9 Å²	136.9	76%	0.757	75%	0.747	S	S	*	*	S	Bend	trans	72.2	112	156.9	-62.6	179.7	165.7	0	0	120.9	L682	E680-L682 PolarHBondContact O-N 3.48Å
681	T	28.2	Very low	26.5	Very low	136 Å²	136	132.4 Å²	132.4	83%	0.834	74%	0.744	S	S	*	*			trans	55.1	18.2	144.9	61.6	0	0	0	0	121.5	S683	T681-S683 VanDerWaalsContact C-N 3.33Å; T681-S683 PolarHBondContact O-N 3.32Å
682	L	25.8	Very low	27	Very low	114 Å²	114	130.7 Å²	130.7	60%	0.597	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	0.7	179.6	-113.2	137.6	0	0	0	116.5	E680 Q684 K685 A686	E680-L682 PolarHBondContact O-N 3.48Å; L682-Q684 PolarHBondContact O-N 2.78Å; L682-K685 HydrophobicContact CD2-CB 4.35Å; L682-K685 PolarHBondContact O-N 3.32Å; L682-A686 HydrophobicContact CD2-CB 3.83Å; L682-A686 PolarHBondContact O-N 3.4Å
683	S	28.8	Very low	27.6	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-15	179.3	61.7	0	0	0	0	114.3	T681	T681-S683 VanDerWaalsContact C-N 3.33Å; T681-S683 PolarHBondContact O-N 3.32Å
684	Q	28.8	Very low	28.4	Very low	172 Å²	172	127.8 Å²	127.8	80%	0.804	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-19.2	174.9	-75.3	-173.4	-15.3	0	0	115.4	L682	L682-Q684 PolarHBondContact O-N 2.78Å
685	K	25.5	Very low	29.2	Very low	177 Å²	177	121.8 Å²	121.8	77%	0.77	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-22.2	-175.4	-96.6	-179.2	176.7	176.7	0	115.2	L682 V687	L682-K685 HydrophobicContact CD2-CB 4.35Å; L682-K685 PolarHBondContact O-N 3.32Å; K685-V687 VanDerWaalsContact C-N 3.29Å; K685-V687 PolarHBondContact O-N 3.45Å
686	A	26.9	Very low	30.4	Very low	63 Å²	63	116.2 Å²	116.2	52%	0.521	67%	0.67	S	S	.	*	S	Bend	trans	-75.8	-16.4	178.3	0	0	0	0	0	113.6	L682	L682-A686 HydrophobicContact CD2-CB 3.83Å; L682-A686 PolarHBondContact O-N 3.4Å
687	V	32.8	Very low	31.6	Very low	100 Å²	100	114.6 Å²	114.6	61%	0.606	65%	0.654	S	S	*	*	S	Bend	trans	-100.3	-11.2	-169.3	-175.8	0	0	0	0	113.2	K685	K685-V687 VanDerWaalsContact C-N 3.29Å; K685-V687 PolarHBondContact O-N 3.45Å
688	S	30.5	Very low	33.1	Very low	86 Å²	86	107.4 Å²	107.4	60%	0.601	62%	0.623	S	S	*	*	S	Bend	trans	-87	-12.9	-172.2	66.3	0	0	0	0	116.1
689	N	29.5	Very low	34.5	Very low	150 Å²	150	105.8 Å²	105.8	80%	0.802	60%	0.602	S	S	*	*	S	Bend	trans	-130.9	8.1	-165.6	-89.5	2.3	0	0	0	118.3
690	T	25.4	Very low	36.1	Very low	103 Å²	103	101.6 Å²	101.6	63%	0.632	58%	0.579	S	S	*	*			trans	-114	108.9	169	37.2	0	0	0	0	109.5	V692	T690-V692 PolarHBondContact O-N 3.48Å
691	A	27.1	Very low	37.5	Very low	104 Å²	104	94.7 Å²	94.7	86%	0.86	55%	0.549	S	S	*	.			trans	-64.3	77	167	0	0	0	0	0	108.7	K693	A691-K693 PolarHBondContact O-N 2.79Å
692	V	33.8	Very low	38.9	Very low	79 Å²	79	94.4 Å²	94.4	48%	0.479	54%	0.536	S	S	.	.			trans	-76	99.6	-179.8	-177.1	0	0	0	0	107.7	T690 S694 T695	T690-V692 PolarHBondContact O-N 3.48Å; V692-S694 PolarHBondContact O-N 2.83Å; V692-S694 VanDerWaalsContact O-N 3.09Å; V692-T695 WeakPolarHBondContact CG1-OG1 3.24Å
693	K	33.9	Very low	40.4	Very low	179 Å²	179	90.3 Å²	90.3	78%	0.778	52%	0.516	S	S	*	.			trans	-45.2	107.8	160.5	-67.3	173	175.6	176.7	0	109	A691 T695	A691-K693 PolarHBondContact O-N 2.79Å; K693-T695 PolarHBondContact O-N 3.35Å; K693-T695 PolarHBondContact O-OG1 2.87Å
694	S	39	Very low	41.4	Very low	104 Å²	104	93 Å²	93	73%	0.727	52%	0.52	S	S	*	.	S	Bend	trans	32.8	18.3	155.4	71.6	0	0	0	0	121.6	V692	V692-S694 PolarHBondContact O-N 2.83Å; V692-S694 VanDerWaalsContact O-N 3.09Å
695	T	37.8	Very low	42.5	Very low	56 Å²	56	88.8 Å²	88.8	34%	0.344	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-99.8	147.3	179.9	53.9	0	0	0	0	110.9	V692 K693 L697 H838	V692-T695 WeakPolarHBondContact CG1-OG1 3.24Å; K693-T695 PolarHBondContact O-N 3.35Å; K693-T695 PolarHBondContact O-OG1 2.87Å; T695-L697 PolarHBondContact O-N 2.94Å; T695-H838 PolarHBondContact OG1-CE1 3.49Å; T695-H838 VanDerWaalsContact OG1-CE1 3.28Å
696	A	52.6	Low	44	Very low	1 Å²	1	84 Å²	84	1%	0.008	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-72.4	122.6	-178.2	0	0	0	0	0	110.8	V698 H838 V842 M847	A696-V698 PolarHBondContact O-N 3.33Å; A696-H838 PolarHBondContact O-CE1 3.3Å; A696-H838 PolarHBondContact O-ND1 2.63Å; A696-V842 HydrophobicContact CB-CG2 3.73Å; A696-M847 HydrophobicContact CB-CE 3.33Å; A696-M847 HydrophobicContact CB-SD 4.46Å
697	L	50.7	Low	45.5	Very low	88 Å²	88	85.5 Å²	85.5	46%	0.461	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-69.3	131.1	169.5	-135.7	96	0	0	0	108.5	T695 I721 C722	T695-L697 PolarHBondContact O-N 2.94Å; L697-I721 HydrophobicContact CB-CD1 4.35Å; L697-I721 HydrophobicContact CB-CG1 3.93Å; L697-I721 HydrophobicContact CB-CG2 4.2Å; L697-I721 HydrophobicContact CD2-CD1 4.13Å; L697-I721 VanDerWaalsContact O-CG2 3.32Å; L697-I721 WeakPolarHBondContact O-CG2 3.05Å; L697-C722 PolarHBondContact O-N 3.24Å
698	V	56.8	Low	46.5	Very low	32 Å²	32	82.8 Å²	82.8	19%	0.194	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.2	172	-175.5	0	0	0	0	108.5	A696 C722 I724 A834 L837 H838	A696-V698 PolarHBondContact O-N 3.33Å; V698-C722 CarbonylContact C-O 3.5Å; V698-C722 VanDerWaalsContact CA-O 3.3Å; V698-C722 WeakPolarHBondContact CA-O 3.4Å; V698-C722 HydrophobicContact CG2-CB 4.31Å; V698-I724 HydrophobicContact CG1-CD1 4.14Å; V698-I724 HydrophobicContact CG1-CG1 4.29Å; V698-A834 HydrophobicContact CG1-CB 3.99Å; V698-L837 HydrophobicContact CG2-CB 3.83Å; V698-H838 HydrophobicContact CG2-CB 4.42Å
699	L	56.5	Low	47.9	Very low	56 Å²	56	81.1 Å²	81.1	29%	0.293	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.8	-174.8	-148.4	145.6	0	0	0	109.7	L712 I721 C722 M723 I724	L699-L712 HydrophobicContact CD2-CD2 3.99Å; L699-I721 HydrophobicContact CB-CG2 3.94Å; L699-I721 HydrophobicContact CD1-CG2 4.38Å; L699-C722 PolarHBondContact N-O 3.47Å; L699-M723 VanDerWaalsContact O-CA 3.3Å; L699-M723 WeakPolarHBondContact O-CA 3.4Å; L699-M723 WeakPolarHBondContact O-CG 3.48Å; L699-I724 PolarHBondContact O-N 3.37Å
700	I	59	Low	49.5	Very low	59 Å²	59	80 Å²	80	30%	0.303	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.1	174.7	-57.6	173.8	0	0	0	107.8	F702 I724 A834	I700-F702 HydrophobicContact CG2-CE2 4.28Å; I700-F702 HydrophobicContact CG2-CZ 4.4Å; I700-I724 WeakPolarHBondContact CA-O 3.19Å; I700-I724 HydrophobicContact CG1-CB 4.35Å; I700-A834 HydrophobicContact CD1-CB 4.45Å
701	S	57.3	Low	51.2	Low	18 Å²	18	77.9 Å²	77.9	13%	0.126	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.6	-177.3	-175.9	0	0	0	0	111.7	L712 I724 L726	S701-L712 WeakPolarHBondContact OG-CD2 3.49Å; S701-I724 PolarHBondContact N-O 2.5Å; S701-L726 PolarHBondContact O-N 2.93Å
702	F	59.2	Low	52.7	Low	129 Å²	129	75.5 Å²	75.5	57%	0.566	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	110.6	166.4	-55.6	-93.8	0	0	0	107.5	I700 L726 F728	I700-F702 HydrophobicContact CG2-CE2 4.28Å; I700-F702 HydrophobicContact CG2-CZ 4.4Å; F702-L726 HydrophobicContact CD1-CD1 3.81Å; F702-L726 HydrophobicContact CE1-CD1 3.51Å; F702-L726 HydrophobicContact CZ-CD1 4.24Å; F702-F728 HydrophobicContact CD1-CE2 4.08Å; F702-F728 HydrophobicContact CD1-CZ 4.22Å
703	V	56.6	Low	54.1	Low	29 Å²	29	73.8 Å²	73.8	18%	0.176	41%	0.407	C	S	.	.			trans	-94.4	145.7	-171.7	177.1	0	0	0	0	112.3	Q709 Q725	V703-Q709 HydrophobicContact CB-CG 4.2Å; V703-Q709 HydrophobicContact CG1-CG 3.39Å; V703-Q709 HydrophobicContact CG2-CG 3.81Å; V703-Q725 HydrophobicContact CG2-CG 3.8Å
704	L	50.4	Low	55.6	Low	168 Å²	168	67.6 Å²	67.6	88%	0.88	39%	0.387	S	S	*	.	S	Bend	trans	-127.7	-1.4	165	-81	161.5	0	0	0	116.4
705	N	51.3	Low	56.8	Low	84 Å²	84	67.8 Å²	67.8	45%	0.449	37%	0.372	S	S	.	.			trans	-156.2	155.3	167.6	62.8	22.3	0	0	0	114	T707 A708 Q709	N705-T707 VanDerWaalsContact C-N 3.31Å; N705-T707 PolarHBondContact O-N 3.11Å; N705-A708 PolarHBondContact O-N 3.13Å; N705-A708 WeakPolarHBondContact OD1-CA 3.48Å; N705-A708 WeakPolarHBondContact OD1-CB 3.37Å; N705-A708 PolarHBondContact OD1-N 3.25Å; N705-Q709 PolarHBondContact O-N 3.21Å
706	S	56.2	Low	58	Low	76 Å²	76	65.1 Å²	65.1	53%	0.531	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-30	-178.8	55.6	0	0	0	0	113.7	Q709 M710	S706-Q709 WeakPolarHBondContact O-CB 3.41Å; S706-Q709 PolarHBondContact O-N 3.5Å; S706-M710 PolarHBondContact O-N 3.08Å; S706-M710 VanDerWaalsContact O-N 3.13Å
707	T	58.3	Low	58.6	Low	94 Å²	94	69.4 Å²	69.4	58%	0.577	38%	0.376	S	S	*	.	H	α-helix	trans	-68.5	-43	175.6	28.1	0	0	0	0	112.5	N705 Q709 M710 A711	N705-T707 VanDerWaalsContact C-N 3.31Å; N705-T707 PolarHBondContact O-N 3.11Å; T707-Q709 VanDerWaalsContact C-N 3.33Å; T707-M710 PolarHBondContact O-N 2.88Å; T707-A711 PolarHBondContact O-N 3.29Å
708	A	55.1	Low	59.2	Low	43 Å²	43	75.5 Å²	75.5	36%	0.355	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-35.4	174.3	0	0	0	0	0	111.5	N705 A711 L712	N705-A708 PolarHBondContact O-N 3.13Å; N705-A708 WeakPolarHBondContact OD1-CA 3.48Å; N705-A708 WeakPolarHBondContact OD1-CB 3.37Å; N705-A708 PolarHBondContact OD1-N 3.25Å; A708-A711 PolarHBondContact O-N 3.46Å; A708-L712 WeakPolarHBondContact O-CB 3.43Å; A708-L712 PolarHBondContact O-N 3.35Å
709	Q	58.7	Low	59.4	Low	52 Å²	52	80 Å²	80	24%	0.243	41%	0.41	C	S	.	.	H	α-helix	trans	-56.9	-53.2	173.1	-67.9	179.2	-3.9	0	0	110.9	V703 N705 S706 T707 A711 L712 R713	V703-Q709 HydrophobicContact CB-CG 4.2Å; V703-Q709 HydrophobicContact CG1-CG 3.39Å; V703-Q709 HydrophobicContact CG2-CG 3.81Å; N705-Q709 PolarHBondContact O-N 3.21Å; S706-Q709 WeakPolarHBondContact O-CB 3.41Å; S706-Q709 PolarHBondContact O-N 3.5Å; T707-Q709 VanDerWaalsContact C-N 3.33Å; Q709-A711 VanDerWaalsContact C-N 3.31Å; Q709-A711 PolarHBondContact O-N 3.41Å; Q709-L712 PolarHBondContact O-N 3.42Å; Q709-R713 WeakPolarHBondContact O-CB 3.5Å; Q709-R713 VanDerWaalsContact O-CG 3.22Å; Q709-R713 WeakPolarHBondContact O-CG 3.12Å; Q709-R713 PolarHBondContact O-N 3.37Å
710	M	63.5	Low	59.7	Low	127 Å²	127	80.2 Å²	80.2	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-60.4	-40.5	179.8	-78.2	-175.7	-99.2	0	0	112.3	S706 T707 S714	S706-M710 PolarHBondContact O-N 3.08Å; S706-M710 VanDerWaalsContact O-N 3.13Å; T707-M710 PolarHBondContact O-N 2.88Å; M710-S714 WeakPolarHBondContact O-CB 3.42Å; M710-S714 PolarHBondContact O-N 3.49Å; M710-S714 PolarHBondContact O-OG 3.25Å
711	A	61.2	Low	60	Low	57 Å²	57	78 Å²	78	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-64.5	-47.7	176.8	0	0	0	0	0	112.1	T707 A708 Q709 R713 S714 Y715	T707-A711 PolarHBondContact O-N 3.29Å; A708-A711 PolarHBondContact O-N 3.46Å; Q709-A711 VanDerWaalsContact C-N 3.31Å; Q709-A711 PolarHBondContact O-N 3.41Å; A711-R713 PolarHBondContact O-N 3.35Å; A711-S714 PolarHBondContact O-N 3.33Å; A711-S714 PolarHBondContact O-OG 2.99Å; A711-Y715 WeakPolarHBondContact O-CB 3.46Å; A711-Y715 PolarHBondContact O-N 3.15Å
712	L	58.9	Low	60.4	Low	54 Å²	54	77.2 Å²	77.2	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-42.3	177.9	-118.7	84.7	0	0	0	111.3	L699 S701 A708 Q709 Y715 A716 M723	L699-L712 HydrophobicContact CD2-CD2 3.99Å; S701-L712 WeakPolarHBondContact OG-CD2 3.49Å; A708-L712 WeakPolarHBondContact O-CB 3.43Å; A708-L712 PolarHBondContact O-N 3.35Å; Q709-L712 PolarHBondContact O-N 3.42Å; L712-Y715 WeakPolarHBondContact O-CB 3.32Å; L712-Y715 PolarHBondContact O-N 2.85Å; L712-A716 WeakPolarHBondContact O-CB 3.48Å; L712-A716 PolarHBondContact O-N 2.8Å; L712-M723 HydrophobicContact CB-CE 3.77Å; L712-M723 HydrophobicContact CB-SD 4.05Å; L712-M723 HydrophobicContact CD2-CE 3.65Å; L712-M723 HydrophobicContact CD2-SD 3.66Å; L712-M723 HydrophobicContact CG-CE 3.87Å; L712-M723 HydrophobicContact CG-SD 4.33Å; L712-M723 WeakPolarHBondContact O-CE 3.35Å
713	R	63.6	Low	60.8	Low	43 Å²	43	71.2 Å²	71.2	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-61	-47.2	176.6	-70.8	-173.7	-179.1	-178.1	1	111.3	Q709 A711 Y715 A716 Q717 L737 F745	Q709-R713 WeakPolarHBondContact O-CB 3.5Å; Q709-R713 VanDerWaalsContact O-CG 3.22Å; Q709-R713 WeakPolarHBondContact O-CG 3.12Å; Q709-R713 PolarHBondContact O-N 3.37Å; A711-R713 PolarHBondContact O-N 3.35Å; R713-Y715 VanDerWaalsContact C-N 3.26Å; R713-Y715 PolarHBondContact O-N 2.96Å; R713-A716 PolarHBondContact O-N 2.67Å; R713-Q717 WeakPolarHBondContact O-CB 3.35Å; R713-Q717 WeakPolarHBondContact O-CG 3.25Å; R713-Q717 PolarHBondContact O-N 3.24Å; R713-L737 VanDerWaalsContact NH1-CD2 3.28Å; R713-F745 HydrophobicContact CB-CE1 3.85Å; R713-F745 HydrophobicContact CB-CE2 4.42Å; R713-F745 HydrophobicContact CB-CZ 3.67Å; R713-F745 HydrophobicContact CG-CD1 3.9Å; R713-F745 HydrophobicContact CG-CE1 3.45Å; R713-F745 VanDerWaalsContact CG-CE1 3.45Å; R713-F745 HydrophobicContact CG-CE2 4.47Å; R713-F745 HydrophobicContact CG-CZ 3.76Å
714	S	65.7	Low	61.5	Low	50 Å²	50	69.9 Å²	69.9	35%	0.35	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-35.3	176.5	78.9	0	0	0	0	112.7	M710 A711 R718	M710-S714 WeakPolarHBondContact O-CB 3.42Å; M710-S714 PolarHBondContact O-N 3.49Å; M710-S714 PolarHBondContact O-OG 3.25Å; A711-S714 PolarHBondContact O-N 3.33Å; A711-S714 PolarHBondContact O-OG 2.99Å; S714-R718 WeakPolarHBondContact O-CB 3.01Å; S714-R718 VanDerWaalsContact O-CG 3.28Å; S714-R718 WeakPolarHBondContact O-CG 3.38Å; S714-R718 PolarHBondContact O-N 2.92Å; S714-R718 VanDerWaalsContact O-N 3.16Å
715	Y	62.9	Low	62.5	Low	107 Å²	107	62.2 Å²	62.2	42%	0.42	32%	0.319	S	S	.	.	H	α-helix	trans	-70.9	-45.5	177	178.6	-97.2	0	0	0	111.7	A711 L712 R713 R718 K719 I721	A711-Y715 WeakPolarHBondContact O-CB 3.46Å; A711-Y715 PolarHBondContact O-N 3.15Å; L712-Y715 WeakPolarHBondContact O-CB 3.32Å; L712-Y715 PolarHBondContact O-N 2.85Å; R713-Y715 VanDerWaalsContact C-N 3.26Å; R713-Y715 PolarHBondContact O-N 2.96Å; Y715-R718 PolarHBondContact O-N 2.8Å; Y715-K719 HydrophobicContact CD2-CG 4.43Å; Y715-K719 HydrophobicContact CE1-CG 4.11Å; Y715-K719 HydrophobicContact CE2-CG 3.95Å; Y715-K719 WeakPolarHBondContact O-CB 3.23Å; Y715-K719 PolarHBondContact O-N 2.87Å; Y715-I721 HydrophobicContact CD1-CD1 4.4Å; Y715-I721 HydrophobicContact CE1-CD1 3.83Å
716	A	64	Low	63.4	Low	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-42.4	179.2	0	0	0	0	0	112.1	L712 R713 R718 K719 N720 I721 M723 F745	L712-A716 WeakPolarHBondContact O-CB 3.48Å; L712-A716 PolarHBondContact O-N 2.8Å; R713-A716 PolarHBondContact O-N 2.67Å; A716-R718 PolarHBondContact O-N 2.8Å; A716-K719 CarbonylContact O-C 3.36Å; A716-K719 PolarHBondContact O-N 3.19Å; A716-N720 WeakPolarHBondContact O-CA 3.39Å; A716-N720 PolarHBondContact O-N 3.45Å; A716-I721 HydrophobicContact CB-CB 4.06Å; A716-I721 HydrophobicContact CB-CG2 4.37Å; A716-I721 PolarHBondContact O-N 2.89Å; A716-M723 HydrophobicContact CB-CE 3.45Å; A716-M723 VanDerWaalsContact CB-CE 3.45Å; A716-F745 HydrophobicContact CB-CE1 4.09Å; A716-F745 HydrophobicContact CB-CZ 4.02Å
717	Q	65.2	Low	64	Low	91 Å²	91	55.8 Å²	55.8	43%	0.425	28%	0.279	S	S	.	.	H	α-helix	trans	-55.8	-48.2	170.4	-76.3	176.5	-16.5	0	0	112	R713 K719 N720 D742 Q744 F745	R713-Q717 WeakPolarHBondContact O-CB 3.35Å; R713-Q717 WeakPolarHBondContact O-CG 3.25Å; R713-Q717 PolarHBondContact O-N 3.24Å; Q717-K719 VanDerWaalsContact C-N 3.3Å; Q717-K719 PolarHBondContact O-N 2.75Å; Q717-N720 PolarHBondContact O-N 3.22Å; Q717-D742 VanDerWaalsContact NE2-CG 3.33Å; Q717-D742 PolarHBondContact NE2-OD1 3.03Å; Q717-D742 PolarHBondContact NE2-OD2 3.33Å; Q717-Q744 VanDerWaalsContact CA-OE1 3.3Å; Q717-F745 HydrophobicContact CG-CE2 3.97Å; Q717-F745 HydrophobicContact CG-CZ 4.18Å
718	R	63.1	Low	64.2	Low	217 Å²	217	55.4 Å²	55.4	82%	0.819	27%	0.27	S	S	*	.	H	α-helix	trans	-64.4	-32.8	179.4	-77.8	179.5	-169	-172	4.8	113.6	S714 Y715 A716	S714-R718 WeakPolarHBondContact O-CB 3.01Å; S714-R718 VanDerWaalsContact O-CG 3.28Å; S714-R718 WeakPolarHBondContact O-CG 3.38Å; S714-R718 PolarHBondContact O-N 2.92Å; S714-R718 VanDerWaalsContact O-N 3.16Å; Y715-R718 PolarHBondContact O-N 2.8Å; A716-R718 PolarHBondContact O-N 2.8Å
719	K	61.6	Low	64.3	Low	126 Å²	126	58.2 Å²	58.2	55%	0.548	28%	0.276	S	S	.	.	H	α-helix	trans	-99	0.6	-177.5	-69.8	-67.2	-171.6	176.7	0	113.5	Y715 A716 Q717 I721	Y715-K719 HydrophobicContact CD2-CG 4.43Å; Y715-K719 HydrophobicContact CE1-CG 4.11Å; Y715-K719 HydrophobicContact CE2-CG 3.95Å; Y715-K719 WeakPolarHBondContact O-CB 3.23Å; Y715-K719 PolarHBondContact O-N 2.87Å; A716-K719 CarbonylContact O-C 3.36Å; A716-K719 PolarHBondContact O-N 3.19Å; Q717-K719 VanDerWaalsContact C-N 3.3Å; Q717-K719 PolarHBondContact O-N 2.75Å; K719-I721 VanDerWaalsContact C-N 3.28Å; K719-I721 HydrophobicContact CB-CD1 3.47Å; K719-I721 VanDerWaalsContact CB-CD1 3.47Å; K719-I721 HydrophobicContact CB-CG1 3.62Å; K719-I721 HydrophobicContact CG-CD1 4.27Å; K719-I721 PolarHBondContact O-N 2.91Å
720	N	62.7	Low	63.5	Low	61 Å²	61	59 Å²	59	33%	0.326	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	45.9	-177	-141.5	-6	0	0	0	111.7	A716 Q717 Q744 V842 H843	A716-N720 WeakPolarHBondContact O-CA 3.39Å; A716-N720 PolarHBondContact O-N 3.45Å; Q717-N720 PolarHBondContact O-N 3.22Å; N720-Q744 PolarHBondContact OD1-NE2 3.11Å; N720-V842 HydrophobicContact CB-CG1 3.83Å; N720-V842 VanDerWaalsContact ND2-CG1 3.29Å; N720-V842 WeakPolarHBondContact ND2-CG1 3.35Å; N720-V842 WeakPolarHBondContact OD1-CG1 3.08Å; N720-H843 PolarHBondContact ND2-CE1 3.24Å
721	I	63.9	Low	62.9	Low	11 Å²	11	61.2 Å²	61.2	6%	0.056	29%	0.292	C	S	.	.			trans	-100.8	134.9	-177.6	-66.2	176.2	0	0	0	108.1	L697 L699 Y715 A716 K719	L697-I721 HydrophobicContact CB-CD1 4.35Å; L697-I721 HydrophobicContact CB-CG1 3.93Å; L697-I721 HydrophobicContact CB-CG2 4.2Å; L697-I721 HydrophobicContact CD2-CD1 4.13Å; L697-I721 VanDerWaalsContact O-CG2 3.32Å; L697-I721 WeakPolarHBondContact O-CG2 3.05Å; L699-I721 HydrophobicContact CB-CG2 3.94Å; L699-I721 HydrophobicContact CD1-CG2 4.38Å; Y715-I721 HydrophobicContact CD1-CD1 4.4Å; Y715-I721 HydrophobicContact CE1-CD1 3.83Å; A716-I721 HydrophobicContact CB-CB 4.06Å; A716-I721 HydrophobicContact CB-CG2 4.37Å; A716-I721 PolarHBondContact O-N 2.89Å; K719-I721 VanDerWaalsContact C-N 3.28Å; K719-I721 HydrophobicContact CB-CD1 3.47Å; K719-I721 VanDerWaalsContact CB-CD1 3.47Å; K719-I721 HydrophobicContact CB-CG1 3.62Å; K719-I721 HydrophobicContact CG-CD1 4.27Å; K719-I721 PolarHBondContact O-N 2.91Å
722	C	65.2	Low	62.2	Low	3 Å²	3	63.9 Å²	63.9	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137.8	171.9	-170.9	0	0	0	0	110	L697 V698 L699 Q744 M847	L697-C722 PolarHBondContact O-N 3.24Å; V698-C722 CarbonylContact C-O 3.5Å; V698-C722 VanDerWaalsContact CA-O 3.3Å; V698-C722 WeakPolarHBondContact CA-O 3.4Å; V698-C722 HydrophobicContact CG2-CB 4.31Å; L699-C722 PolarHBondContact N-O 3.47Å; C722-Q744 WeakPolarHBondContact CA-O 3.49Å; C722-Q744 PolarHBondContact SG-O 3.05Å; C722-Q744 VanDerWaalsContact SG-O 3.38Å; C722-M847 HydrophobicContact CB-SD 3.53Å; C722-M847 VanDerWaalsContact CB-SD 3.53Å
723	M	68.8	Low	61.2	Low	3 Å²	3	65.2 Å²	65.2	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.4	-177.6	-167.9	-179.5	-58.2	0	0	111.8	L699 L712 A716 Q744 F745 L746	L699-M723 VanDerWaalsContact O-CA 3.3Å; L699-M723 WeakPolarHBondContact O-CA 3.4Å; L699-M723 WeakPolarHBondContact O-CG 3.48Å; L712-M723 HydrophobicContact CB-CE 3.77Å; L712-M723 HydrophobicContact CB-SD 4.05Å; L712-M723 HydrophobicContact CD2-CE 3.65Å; L712-M723 HydrophobicContact CD2-SD 3.66Å; L712-M723 HydrophobicContact CG-CE 3.87Å; L712-M723 HydrophobicContact CG-SD 4.33Å; L712-M723 WeakPolarHBondContact O-CE 3.35Å; A716-M723 HydrophobicContact CB-CE 3.45Å; A716-M723 VanDerWaalsContact CB-CE 3.45Å; M723-Q744 PolarHBondContact N-O 3.36Å; M723-F745 HydrophobicContact CB-CD1 3.76Å; M723-F745 HydrophobicContact CB-CE1 3.8Å; M723-F745 HydrophobicContact CE-CE1 4.12Å; M723-F745 HydrophobicContact CG-CD1 4.48Å; M723-F745 HydrophobicContact SD-CD1 4.38Å; M723-F745 HydrophobicContact SD-CE1 4.08Å; M723-L746 PolarHBondContact O-N 3.47Å
724	I	70.3	Confident	60.3	Low	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.6	169.9	-58.2	175.7	0	0	0	107.2	V698 L699 I700 S701 L746 I748 L830 A834 L837	V698-I724 HydrophobicContact CG1-CD1 4.14Å; V698-I724 HydrophobicContact CG1-CG1 4.29Å; L699-I724 PolarHBondContact O-N 3.37Å; I700-I724 WeakPolarHBondContact CA-O 3.19Å; I700-I724 HydrophobicContact CG1-CB 4.35Å; S701-I724 PolarHBondContact N-O 2.5Å; I724-L746 WeakPolarHBondContact CA-O 3.46Å; I724-L746 HydrophobicContact CG1-CB 4.46Å; I724-L746 HydrophobicContact CG1-CD2 4.32Å; I724-I748 HydrophobicContact CG2-CD1 3.62Å; I724-I748 HydrophobicContact CG2-CG1 4.33Å; I724-L830 HydrophobicContact CG2-CD2 3.69Å; I724-A834 HydrophobicContact CD1-CB 4.3Å; I724-L837 HydrophobicContact CD1-CD1 4.36Å
725	Q	73	Confident	59	Low	7 Å²	7	75.3 Å²	75.3	3%	0.033	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.5	-176.2	-170.4	-177	-25.8	0	0	109.5	V703 L746 L747 I748	V703-Q725 HydrophobicContact CG2-CG 3.8Å; Q725-L746 PolarHBondContact N-O 3.43Å; Q725-L747 HydrophobicContact CB-CD1 3.81Å; Q725-L747 HydrophobicContact CG-CD1 3.77Å; Q725-L747 WeakPolarHBondContact O-CA 3.47Å; Q725-I748 PolarHBondContact O-N 3.46Å
726	L	70.1	Confident	57.9	Low	3 Å²	3	78.6 Å²	78.6	2%	0.016	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.7	176.7	-61.3	-175.4	0	0	0	110.7	S701 F702 F728 I748 F826 L830	S701-L726 PolarHBondContact O-N 2.93Å; F702-L726 HydrophobicContact CD1-CD1 3.81Å; F702-L726 HydrophobicContact CE1-CD1 3.51Å; F702-L726 HydrophobicContact CZ-CD1 4.24Å; L726-F728 HydrophobicContact CB-CD2 4.18Å; L726-F728 HydrophobicContact CB-CE2 3.55Å; L726-F728 HydrophobicContact CB-CZ 4.19Å; L726-F728 HydrophobicContact CD1-CE2 4.23Å; L726-F728 HydrophobicContact CD1-CZ 4.2Å; L726-I748 WeakPolarHBondContact CA-O 3.37Å; L726-I748 HydrophobicContact CD2-CB 4.16Å; L726-F826 HydrophobicContact CD1-CE1 4.38Å; L726-F826 HydrophobicContact CD2-CE1 4.25Å; L726-F826 HydrophobicContact CD2-CZ 3.81Å; L726-L830 HydrophobicContact CD1-CD1 4.28Å; L726-L830 HydrophobicContact CD2-CD1 4.06Å; L726-L830 HydrophobicContact CD2-CD2 4.05Å
727	N	68.6	Low	56.8	Low	22 Å²	22	83.1 Å²	83.1	12%	0.118	40%	0.396	C	S	.	.			trans	-93.1	111.5	175.9	-172.8	12	0	0	0	110.7	E729 L747 I748 P750	N727-E729 PolarHBondContact OD1-N 3.26Å; N727-L747 HydrophobicContact CB-CD1 4.06Å; N727-L747 HydrophobicContact CB-CD2 4.41Å; N727-L747 HydrophobicContact CB-CG 4.15Å; N727-I748 PolarHBondContact N-O 2.92Å; N727-P750 WeakPolarHBondContact O-CD 3.17Å
728	F	61.2	Low	55.7	Low	87 Å²	87	87.6 Å²	87.6	38%	0.382	42%	0.416	S	S	.	.			trans	-99	2.3	177.7	-70.4	-86.3	0	0	0	113.6	F702 L726 P750 W752	F702-F728 HydrophobicContact CD1-CE2 4.08Å; F702-F728 HydrophobicContact CD1-CZ 4.22Å; L726-F728 HydrophobicContact CB-CD2 4.18Å; L726-F728 HydrophobicContact CB-CE2 3.55Å; L726-F728 HydrophobicContact CB-CZ 4.19Å; L726-F728 HydrophobicContact CD1-CE2 4.23Å; L726-F728 HydrophobicContact CD1-CZ 4.2Å; F728-P750 HydrophobicContact CD1-CG 4.07Å; F728-P750 HydrophobicContact CE1-CG 3.75Å; F728-P750 HydrophobicContact CZ-CG 4.04Å; F728-W752 AromaticContact CE1-CZ2 3.88Å; F728-W752 HydrophobicContact CE1-CZ2 3.88Å; F728-W752 AromaticContact CE1-NE1 3.96Å
729	E	57.9	Low	54.7	Low	102 Å²	102	81.5 Å²	81.5	48%	0.477	40%	0.4	S	S	.	.			trans	-82.2	124.1	178	-63.4	-176.1	174.2	0	0	110.5	N727 K731 T733	N727-E729 PolarHBondContact OD1-N 3.26Å; E729-K731 PolarHBondContact O-N 2.98Å; E729-T733 WeakPolarHBondContact OE2-CG2 3.27Å
730	C	42.6	Very low	54	Low	69 Å²	69	83.2 Å²	83.2	47%	0.466	42%	0.415	S	S	.	.	S	Bend	trans	-66.6	-22.9	173.2	-75.9	0	0	0	0	112.9
731	K	49.5	Very low	53.2	Low	172 Å²	172	84.5 Å²	84.5	75%	0.748	43%	0.434	S	S	*	.	S	Bend	trans	-92.7	125.8	179.5	-75.8	-174.1	175.8	-176.7	0	109.6	E729 T733	E729-K731 PolarHBondContact O-N 2.98Å; K731-T733 PolarHBondContact O-N 3.31Å
732	E	46.6	Very low	52.8	Low	114 Å²	114	86.6 Å²	86.6	53%	0.533	45%	0.446	S	S	.	.			trans	-61.2	105.8	165.1	-72.7	-175.5	168.6	0	0	107.8	Q734 K889	E732-Q734 PolarHBondContact O-N 3.07Å; E732-Q734 VanDerWaalsContact O-N 3.09Å; E732-K889 IonicContact OE1-NZ 3.83Å; E732-K889 PolarHBondContact OE1-NZ 3.08Å
733	T	39.6	Very low	52.6	Low	82 Å²	82	90.5 Å²	90.5	50%	0.503	47%	0.466	S	S	.	.			trans	-64.8	112.9	167.2	30.8	0	0	0	0	106.5	E729 K731 N735	E729-T733 WeakPolarHBondContact OE2-CG2 3.27Å; K731-T733 PolarHBondContact O-N 3.31Å; T733-N735 PolarHBondContact O-N 3.23Å
734	Q	43	Very low	52.4	Low	176 Å²	176	92.2 Å²	92.2	82%	0.822	47%	0.474	S	S	*	.			trans	-65	27.3	172.3	-72.4	-165.2	-18.4	0	0	113.2	E732 H736	E732-Q734 PolarHBondContact O-N 3.07Å; E732-Q734 VanDerWaalsContact O-N 3.09Å; Q734-H736 PolarHBondContact O-N 3.48Å
735	N	40.1	Very low	52.3	Low	128 Å²	128	93 Å²	93	68%	0.684	48%	0.478	S	S	*	.			trans	-71.9	94.1	162.1	-76	-16	0	0	0	105.7	T733 L737	T733-N735 PolarHBondContact O-N 3.23Å; N735-L737 PolarHBondContact O-N 3.3Å
736	H	38.7	Very low	52.3	Low	177 Å²	177	92.9 Å²	92.9	82%	0.819	48%	0.477	S	S	*	.			trans	-47.5	82.9	159.5	-74.4	-72.2	0	0	0	108.5	Q734 Q738	Q734-H736 PolarHBondContact O-N 3.48Å; H736-Q738 VanDerWaalsContact C-N 3.31Å; H736-Q738 PolarHBondContact O-N 3.06Å
737	L	41.8	Very low	52.6	Low	95 Å²	95	94.1 Å²	94.1	50%	0.497	48%	0.484	S	S	.	.			trans	-68.7	99.7	167.4	-81.5	157.3	0	0	0	104.1	R713 N735 D739	R713-L737 VanDerWaalsContact NH1-CD2 3.28Å; N735-L737 PolarHBondContact O-N 3.3Å; L737-D739 PolarHBondContact O-N 3.46Å; L737-D739 VanDerWaalsContact O-N 3.08Å
738	Q	41.3	Very low	53.2	Low	184 Å²	184	93 Å²	93	86%	0.86	48%	0.478	S	S	*	.			trans	-45.3	118	176.2	-83.9	167.9	-51.9	0	0	109.4	H736 D740	H736-Q738 VanDerWaalsContact C-N 3.31Å; H736-Q738 PolarHBondContact O-N 3.06Å; Q738-D740 PolarHBondContact O-N 3.03Å; Q738-D740 VanDerWaalsContact O-N 3.09Å
739	D	43	Very low	54.1	Low	89 Å²	89	89.1 Å²	89.1	48%	0.476	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.5	-155	-122.2	-33.3	0	0	0	115.3	L737 R848	L737-D739 PolarHBondContact O-N 3.46Å; L737-D739 VanDerWaalsContact O-N 3.08Å; D739-R848 IonicContact OD1-NH1 3.98Å; D739-R848 IonicContact OD1-NH2 2.97Å
740	D	45.4	Very low	55	Low	162 Å²	162	84.3 Å²	84.3	87%	0.866	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-9.6	-163.2	-74	-39	0	0	0	116.2	Q738	Q738-D740 PolarHBondContact O-N 3.03Å; Q738-D740 VanDerWaalsContact O-N 3.09Å
741	A	47.1	Very low	56.4	Low	88 Å²	88	81 Å²	81	73%	0.727	42%	0.416	S	S	*	.	S	Bend	trans	-95.7	-14.9	-166.5	0	0	0	0	0	115.9
742	D	54.8	Low	57.3	Low	55 Å²	55	76 Å²	76	29%	0.294	39%	0.393	S	S	.	.			trans	-130.2	63.6	-158.9	-106.1	-12.4	0	0	0	113.5	Q717 Q744 F745	Q717-D742 VanDerWaalsContact NE2-CG 3.33Å; Q717-D742 PolarHBondContact NE2-OD1 3.03Å; Q717-D742 PolarHBondContact NE2-OD2 3.33Å; D742-Q744 PolarHBondContact O-N 2.96Å; D742-F745 HydrophobicContact CB-CD2 3.59Å; D742-F745 HydrophobicContact CB-CE2 4.17Å; D742-F745 VanDerWaalsContact CG-CD2 3.46Å; D742-F745 VanDerWaalsContact CG-CE2 3.5Å; D742-F745 PolarHBondContact O-N 3.39Å; D742-F745 VanDerWaalsContact O-N 3.1Å; D742-F745 WeakPolarHBondContact OD1-CE2 3.11Å
743	D	61.3	Low	58.4	Low	86 Å²	86	71.6 Å²	71.6	46%	0.46	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-6.3	178.8	-113.6	-5.8	0	0	0	114.9	S846 R848	D743-S846 WeakPolarHBondContact OD1-CB 3.14Å; D743-S846 VanDerWaalsContact OD2-CB 3.24Å; D743-S846 WeakPolarHBondContact OD2-CB 3.44Å; D743-R848 PolarHBondContact O-N 2.93Å
744	Q	63.9	Low	59.7	Low	38 Å²	38	67.8 Å²	67.8	18%	0.178	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.6	179.7	-68	177.8	-0.3	0	0	114	Q717 N720 C722 M723 D742	Q717-Q744 VanDerWaalsContact CA-OE1 3.3Å; N720-Q744 PolarHBondContact OD1-NE2 3.11Å; C722-Q744 WeakPolarHBondContact CA-O 3.49Å; C722-Q744 PolarHBondContact SG-O 3.05Å; C722-Q744 VanDerWaalsContact SG-O 3.38Å; M723-Q744 PolarHBondContact N-O 3.36Å; D742-Q744 PolarHBondContact O-N 2.96Å
745	F	68.1	Low	60.6	Low	17 Å²	17	59.9 Å²	59.9	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.3	-172.3	-60.9	-83	0	0	0	113.1	R713 A716 Q717 M723 D742	R713-F745 HydrophobicContact CB-CE1 3.85Å; R713-F745 HydrophobicContact CB-CE2 4.42Å; R713-F745 HydrophobicContact CB-CZ 3.67Å; R713-F745 HydrophobicContact CG-CD1 3.9Å; R713-F745 HydrophobicContact CG-CE1 3.45Å; R713-F745 VanDerWaalsContact CG-CE1 3.45Å; R713-F745 HydrophobicContact CG-CE2 4.47Å; R713-F745 HydrophobicContact CG-CZ 3.76Å; A716-F745 HydrophobicContact CB-CE1 4.09Å; A716-F745 HydrophobicContact CB-CZ 4.02Å; Q717-F745 HydrophobicContact CG-CE2 3.97Å; Q717-F745 HydrophobicContact CG-CZ 4.18Å; M723-F745 HydrophobicContact CB-CD1 3.76Å; M723-F745 HydrophobicContact CB-CE1 3.8Å; M723-F745 HydrophobicContact CE-CE1 4.12Å; M723-F745 HydrophobicContact CG-CD1 4.48Å; M723-F745 HydrophobicContact SD-CD1 4.38Å; M723-F745 HydrophobicContact SD-CE1 4.08Å; D742-F745 HydrophobicContact CB-CD2 3.59Å; D742-F745 HydrophobicContact CB-CE2 4.17Å; D742-F745 VanDerWaalsContact CG-CD2 3.46Å; D742-F745 VanDerWaalsContact CG-CE2 3.5Å; D742-F745 PolarHBondContact O-N 3.39Å; D742-F745 VanDerWaalsContact O-N 3.1Å; D742-F745 WeakPolarHBondContact OD1-CE2 3.11Å
746	L	73.6	Confident	61.6	Low	4 Å²	4	55.6 Å²	55.6	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.4	175.4	-169.4	72.2	0	0	0	109.5	M723 I724 Q725 I748 R848 A851 I852 L888	M723-L746 PolarHBondContact O-N 3.47Å; I724-L746 WeakPolarHBondContact CA-O 3.46Å; I724-L746 HydrophobicContact CG1-CB 4.46Å; I724-L746 HydrophobicContact CG1-CD2 4.32Å; Q725-L746 PolarHBondContact N-O 3.43Å; L746-I748 HydrophobicContact CD2-CD1 3.8Å; L746-I748 HydrophobicContact CD2-CG1 4.12Å; L746-I748 HydrophobicContact CG-CD1 4.34Å; L746-I748 HydrophobicContact CG-CG1 4.12Å; L746-R848 HydrophobicContact CD1-CG 4.07Å; L746-A851 HydrophobicContact CD1-CB 4.26Å; L746-A851 HydrophobicContact CD2-CB 3.57Å; L746-A851 HydrophobicContact CG-CB 4.5Å; L746-I852 HydrophobicContact CD1-CG1 4.14Å; L746-L888 HydrophobicContact CD1-CD1 3.4Å; L746-L888 HydrophobicContact CD2-CD1 4.24Å; L746-L888 HydrophobicContact CG-CD1 3.9Å
747	L	77.3	Confident	62.7	Low	29 Å²	29	49.5 Å²	49.5	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.4	176.9	-166	71.3	0	0	0	109.4	Q725 N727 T887 L888	Q725-L747 HydrophobicContact CB-CD1 3.81Å; Q725-L747 HydrophobicContact CG-CD1 3.77Å; Q725-L747 WeakPolarHBondContact O-CA 3.47Å; N727-L747 HydrophobicContact CB-CD1 4.06Å; N727-L747 HydrophobicContact CB-CD2 4.41Å; N727-L747 HydrophobicContact CB-CG 4.15Å; L747-T887 HydrophobicContact CD2-CG2 4.33Å; L747-T887 WeakPolarHBondContact CD2-OG1 3.46Å; L747-T887 HydrophobicContact CG-CG2 4.32Å; L747-L888 PolarHBondContact O-N 2.99Å
748	I	80.7	Confident	63.5	Low	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.1	179.4	-57.4	170.2	0	0	0	108.5	I724 Q725 L726 N727 L746 F826 L830 M855 Y880 L888	I724-I748 HydrophobicContact CG2-CD1 3.62Å; I724-I748 HydrophobicContact CG2-CG1 4.33Å; Q725-I748 PolarHBondContact O-N 3.46Å; L726-I748 WeakPolarHBondContact CA-O 3.37Å; L726-I748 HydrophobicContact CD2-CB 4.16Å; N727-I748 PolarHBondContact N-O 2.92Å; L746-I748 HydrophobicContact CD2-CD1 3.8Å; L746-I748 HydrophobicContact CD2-CG1 4.12Å; L746-I748 HydrophobicContact CG-CD1 4.34Å; L746-I748 HydrophobicContact CG-CG1 4.12Å; I748-F826 HydrophobicContact CG2-CE2 3.75Å; I748-F826 HydrophobicContact CG2-CZ 4.03Å; I748-L830 HydrophobicContact CD1-CD2 3.59Å; I748-M855 HydrophobicContact CD1-CE 3.28Å; I748-M855 HydrophobicContact CD1-SD 3.99Å; I748-M855 HydrophobicContact CG1-CE 3.64Å; I748-M855 HydrophobicContact CG2-CE 4.3Å; I748-Y880 HydrophobicContact CG2-CD1 4.38Å; I748-Y880 HydrophobicContact CG2-CE1 3.96Å; I748-L888 HydrophobicContact CG1-CB 4.21Å; I748-L888 HydrophobicContact CG1-CD1 4.28Å
749	Q	80	Confident	64	Low	5 Å²	5	39.3 Å²	39.3	2%	0.023	22%	0.219	C	C	.	.			trans	-92.2	129	170.9	-178.9	173.7	-54.9	0	0	109.3	I753 T754 T887 L888 K889	Q749-I753 HydrophobicContact CG-CB 3.77Å; Q749-I753 HydrophobicContact CG-CG1 4.5Å; Q749-I753 HydrophobicContact CG-CG2 3.89Å; Q749-T754 PolarHBondContact NE2-OG1 3.01Å; Q749-T887 HydrophobicContact CB-CG2 3.76Å; Q749-L888 PolarHBondContact N-O 3.36Å; Q749-K889 HydrophobicContact CB-CG 4.08Å
750	P	77.2	Confident	64.6	Low	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.			trans	-62.4	143.8	175.9	-22.5	33.5	0	0	0	112.8	N727 F728 W752 I753 T754 F826	N727-P750 WeakPolarHBondContact O-CD 3.17Å; F728-P750 HydrophobicContact CD1-CG 4.07Å; F728-P750 HydrophobicContact CE1-CG 3.75Å; F728-P750 HydrophobicContact CZ-CG 4.04Å; P750-W752 VanDerWaalsContact C-N 3.28Å; P750-W752 HydrophobicContact CB-CD2 3.64Å; P750-W752 HydrophobicContact CB-CE3 4Å; P750-W752 HydrophobicContact CB-CG 4.32Å; P750-W752 HydrophobicContact CB-CH2 3.66Å; P750-W752 HydrophobicContact CB-CZ2 3.26Å; P750-W752 HydrophobicContact CB-CZ3 3.98Å; P750-W752 HydrophobicContact CG-CH2 4.41Å; P750-W752 HydrophobicContact CG-CZ2 3.82Å; P750-W752 PolarHBondContact O-N 3.21Å; P750-I753 HydrophobicContact CB-CG1 4.46Å; P750-I753 WeakPolarHBondContact O-CB 3.3Å; P750-I753 PolarHBondContact O-N 2.94Å; P750-T754 PolarHBondContact O-N 2.92Å; P750-F826 HydrophobicContact CB-CE1 4.15Å; P750-F826 HydrophobicContact CB-CZ 4.08Å; P750-F826 HydrophobicContact CG-CE1 4.34Å; P750-F826 HydrophobicContact CG-CZ 4.2Å
751	P	71.9	Confident	65	Low	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-33.6	-172.3	19.8	-31.6	0	0	0	113.4	I753 T754 M755 L822 F826 Q890 I892	P751-I753 PolarHBondContact O-N 3.32Å; P751-T754 WeakPolarHBondContact O-CA 3.3Å; P751-T754 WeakPolarHBondContact O-CB 3.47Å; P751-T754 PolarHBondContact O-N 3.32Å; P751-M755 WeakPolarHBondContact O-CG 3.3Å; P751-M755 PolarHBondContact O-N 3.45Å; P751-L822 HydrophobicContact CB-CD1 3.95Å; P751-L822 HydrophobicContact CB-CD2 4.03Å; P751-L822 HydrophobicContact CB-CG 4.1Å; P751-L822 HydrophobicContact CG-CD1 3.92Å; P751-L822 HydrophobicContact CG-CD2 4.13Å; P751-L822 HydrophobicContact CG-CG 3.8Å; P751-F826 HydrophobicContact CG-CB 3.99Å; P751-F826 HydrophobicContact CG-CD2 3.85Å; P751-F826 HydrophobicContact CG-CG 4.02Å; P751-Q890 HydrophobicContact CB-CB 4.38Å; P751-I892 HydrophobicContact CB-CD1 3.4Å; P751-I892 HydrophobicContact CB-CG1 4.46Å
752	W	68	Low	65	Low	68 Å²	68	29 Å²	29	26%	0.258	16%	0.159	S	C	.	.	H	α-helix	trans	-63.9	-24.6	175.3	52.9	86.2	0	0	0	113.9	F728 P750 A756 E823 F826	F728-W752 AromaticContact CE1-CZ2 3.88Å; F728-W752 HydrophobicContact CE1-CZ2 3.88Å; F728-W752 AromaticContact CE1-NE1 3.96Å; P750-W752 VanDerWaalsContact C-N 3.28Å; P750-W752 HydrophobicContact CB-CD2 3.64Å; P750-W752 HydrophobicContact CB-CE3 4Å; P750-W752 HydrophobicContact CB-CG 4.32Å; P750-W752 HydrophobicContact CB-CH2 3.66Å; P750-W752 HydrophobicContact CB-CZ2 3.26Å; P750-W752 HydrophobicContact CB-CZ3 3.98Å; P750-W752 HydrophobicContact CG-CH2 4.41Å; P750-W752 HydrophobicContact CG-CZ2 3.82Å; P750-W752 PolarHBondContact O-N 3.21Å; W752-A756 PolarHBondContact O-N 3.19Å; W752-E823 HydrophobicContact CE3-CG 3.86Å; W752-E823 HydrophobicContact CH2-CG 4.05Å; W752-E823 HydrophobicContact CZ3-CB 4.33Å; W752-E823 HydrophobicContact CZ3-CG 3.51Å; W752-F826 AromaticContact CH2-CD1 3.69Å; W752-F826 HydrophobicContact CH2-CD1 3.69Å; W752-F826 AromaticContact CH2-CE1 3.94Å; W752-F826 HydrophobicContact CH2-CE1 3.94Å; W752-F826 HydrophobicContact CZ3-CB 4.37Å; W752-F826 AromaticContact CZ3-CD1 3.79Å; W752-F826 HydrophobicContact CZ3-CD1 3.79Å; W752-F826 HydrophobicContact CZ3-CE1 4.37Å; W752-F826 HydrophobicContact CZ3-CG 4.18Å
753	I	69.1	Low	64.6	Low	20 Å²	20	29.4 Å²	29.4	10%	0.103	16%	0.164	C	C	.	.	H	α-helix	trans	-76.6	-37.9	171.5	-55.1	-63.5	0	0	0	110.4	Q749 P750 P751 M755 A756 N757	Q749-I753 HydrophobicContact CG-CB 3.77Å; Q749-I753 HydrophobicContact CG-CG1 4.5Å; Q749-I753 HydrophobicContact CG-CG2 3.89Å; P750-I753 HydrophobicContact CB-CG1 4.46Å; P750-I753 WeakPolarHBondContact O-CB 3.3Å; P750-I753 PolarHBondContact O-N 2.94Å; P751-I753 PolarHBondContact O-N 3.32Å; I753-M755 VanDerWaalsContact C-N 3.33Å; I753-M755 PolarHBondContact O-N 3.49Å; I753-A756 WeakPolarHBondContact O-CB 3.45Å; I753-A756 PolarHBondContact O-N 2.83Å; I753-N757 PolarHBondContact O-N 2.89Å
754	T	66.7	Low	63.9	Low	2 Å²	2	33.5 Å²	33.5	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-41.8	174.6	-52	0	0	0	0	111.3	Q749 P750 P751 A756 N757 F758 K889 W914 L916	Q749-T754 PolarHBondContact NE2-OG1 3.01Å; P750-T754 PolarHBondContact O-N 2.92Å; P751-T754 WeakPolarHBondContact O-CA 3.3Å; P751-T754 WeakPolarHBondContact O-CB 3.47Å; P751-T754 PolarHBondContact O-N 3.32Å; T754-A756 VanDerWaalsContact C-N 3.31Å; T754-A756 PolarHBondContact O-N 2.94Å; T754-N757 WeakPolarHBondContact O-CB 3.49Å; T754-N757 PolarHBondContact O-N 3.43Å; T754-N757 VanDerWaalsContact O-N 3.16Å; T754-F758 PolarHBondContact O-N 3.47Å; T754-K889 HydrophobicContact CG2-CB 4.47Å; T754-K889 HydrophobicContact CG2-CD 4.4Å; T754-W914 HydrophobicContact CG2-CH2 4.32Å; T754-L916 HydrophobicContact CG2-CD1 4Å
755	M	62.2	Low	63.1	Low	11 Å²	11	38.3 Å²	38.3	5%	0.054	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-35.7	173.6	-65.2	171.1	80.3	0	0	112.4	P751 I753 N757 F758 L759 W787 L822 I892 L894	P751-M755 WeakPolarHBondContact O-CG 3.3Å; P751-M755 PolarHBondContact O-N 3.45Å; I753-M755 VanDerWaalsContact C-N 3.33Å; I753-M755 PolarHBondContact O-N 3.49Å; M755-N757 VanDerWaalsContact C-N 3.26Å; M755-N757 PolarHBondContact O-N 3.21Å; M755-F758 WeakPolarHBondContact O-CB 3.45Å; M755-F758 PolarHBondContact O-N 3.16Å; M755-L759 PolarHBondContact O-N 3.12Å; M755-L759 VanDerWaalsContact O-N 3.12Å; M755-W787 HydrophobicContact CE-CZ2 3.64Å; M755-L822 HydrophobicContact SD-CD2 3.53Å; M755-L822 VanDerWaalsContact SD-CD2 3.53Å; M755-I892 HydrophobicContact CG-CD1 4.03Å; M755-I892 HydrophobicContact SD-CD1 4.28Å; M755-L894 HydrophobicContact CE-CD2 3.86Å; M755-L894 HydrophobicContact CG-CD1 4.49Å
756	A	60.8	Low	61.6	Low	37 Å²	37	40.4 Å²	40.4	31%	0.306	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-32.6	174.6	0	0	0	0	0	112.6	W752 I753 T754 S760	W752-A756 PolarHBondContact O-N 3.19Å; I753-A756 WeakPolarHBondContact O-CB 3.45Å; I753-A756 PolarHBondContact O-N 2.83Å; T754-A756 VanDerWaalsContact C-N 3.31Å; T754-A756 PolarHBondContact O-N 2.94Å; A756-S760 PolarHBondContact O-N 2.65Å
757	N	62.2	Low	59.9	Low	50 Å²	50	47 Å²	47	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-74.2	-35.8	175	-67.7	-1.9	0	0	0	112.4	I753 T754 M755 L759 S760 S761	I753-N757 PolarHBondContact O-N 2.89Å; T754-N757 WeakPolarHBondContact O-CB 3.49Å; T754-N757 PolarHBondContact O-N 3.43Å; T754-N757 VanDerWaalsContact O-N 3.16Å; M755-N757 VanDerWaalsContact C-N 3.26Å; M755-N757 PolarHBondContact O-N 3.21Å; N757-L759 VanDerWaalsContact C-N 3.3Å; N757-L759 PolarHBondContact O-N 3.35Å; N757-S760 PolarHBondContact O-N 3.17Å; N757-S760 PolarHBondContact O-OG 2.89Å; N757-S761 PolarHBondContact O-N 3.42Å
758	F	59.3	Low	57.7	Low	14 Å²	14	54.1 Å²	54.1	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-44.4	170.6	163.2	-118.7	0	0	0	111.6	T754 M755 S760 S761 L762 L894 I896 W914 I920	T754-F758 PolarHBondContact O-N 3.47Å; M755-F758 WeakPolarHBondContact O-CB 3.45Å; M755-F758 PolarHBondContact O-N 3.16Å; F758-S760 PolarHBondContact O-N 3.28Å; F758-S761 WeakPolarHBondContact O-CA 3.48Å; F758-S761 WeakPolarHBondContact O-CB 3.28Å; F758-S761 PolarHBondContact O-N 3.12Å; F758-S761 PolarHBondContact O-OG 3.19Å; F758-L762 HydrophobicContact CD1-CD1 4.08Å; F758-L762 HydrophobicContact CD2-CD1 4.33Å; F758-L762 HydrophobicContact CD2-CG 4.31Å; F758-L762 HydrophobicContact CE1-CD1 3.38Å; F758-L762 HydrophobicContact CE1-CG 4.29Å; F758-L762 HydrophobicContact CE2-CD1 3.68Å; F758-L762 HydrophobicContact CE2-CD2 4.36Å; F758-L762 HydrophobicContact CE2-CG 3.65Å; F758-L762 HydrophobicContact CZ-CD1 3.18Å; F758-L762 HydrophobicContact CZ-CD2 4.27Å; F758-L762 HydrophobicContact CZ-CG 3.67Å; F758-L762 PolarHBondContact O-N 2.93Å; F758-L894 HydrophobicContact CB-CD1 4.3Å; F758-L894 HydrophobicContact CD1-CD1 3.23Å; F758-L894 HydrophobicContact CE1-CB 4.47Å; F758-L894 HydrophobicContact CE1-CD1 3.54Å; F758-L894 HydrophobicContact CG-CD1 3.82Å; F758-L894 HydrophobicContact CZ-CD1 4.35Å; F758-I896 HydrophobicContact CE2-CD1 4.48Å; F758-I896 HydrophobicContact CZ-CD1 3.93Å; F758-I896 HydrophobicContact CZ-CG1 4.25Å; F758-W914 HydrophobicContact CB-CD2 4.11Å; F758-W914 HydrophobicContact CB-CE3 4.34Å; F758-W914 HydrophobicContact CB-CH2 3.92Å; F758-W914 HydrophobicContact CB-CZ2 3.68Å; F758-W914 HydrophobicContact CB-CZ3 4.25Å; F758-W914 HydrophobicContact CD2-CB 4Å; F758-W914 AromaticContact CD2-CD1 3.17Å; F758-W914 AromaticContact CD2-CD2 3.39Å; F758-W914 HydrophobicContact CD2-CD2 3.39Å; F758-W914 AromaticContact CD2-CE2 3.39Å; F758-W914 HydrophobicContact CD2-CE3 4.24Å; F758-W914 AromaticContact CD2-CG 3.25Å; F758-W914 HydrophobicContact CD2-CG 3.25Å; F758-W914 HydrophobicContact CD2-CZ2 4.19Å; F758-W914 AromaticContact CD2-NE1 3.24Å; F758-W914 HydrophobicContact CE2-CB 3.42Å; F758-W914 VanDerWaalsContact CE2-CB 3.42Å; F758-W914 AromaticContact CE2-CD1 3.23Å; F758-W914 AromaticContact CE2-CD2 3.83Å; F758-W914 HydrophobicContact CE2-CD2 3.83Å; F758-W914 AromaticContact CE2-CG 3.19Å; F758-W914 HydrophobicContact CE2-CG 3.19Å; F758-W914 AromaticContact CE2-NE1 3.84Å; F758-W914 AromaticContact CG-CD2 3.77Å; F758-W914 HydrophobicContact CG-CD2 3.77Å; F758-W914 AromaticContact CG-CE2 3.82Å; F758-W914 HydrophobicContact CG-CE3 4.18Å; F758-W914 HydrophobicContact CG-CG 4.06Å; F758-W914 HydrophobicContact CG-CZ2 4.25Å; F758-W914 HydrophobicContact CZ-CB 3.77Å; F758-W914 AromaticContact CZ-CG 3.97Å; F758-W914 HydrophobicContact CZ-CG 3.97Å; F758-I920 HydrophobicContact CE2-CD1 4.17Å; F758-I920 HydrophobicContact CE2-CG1 4Å
759	L	51.6	Low	55.3	Low	51 Å²	51	58.8 Å²	58.8	27%	0.267	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-33.9	178.4	-69.6	170.8	0	0	0	112.5	M755 N757 S761 L762 T763 W787	M755-L759 PolarHBondContact O-N 3.12Å; M755-L759 VanDerWaalsContact O-N 3.12Å; N757-L759 VanDerWaalsContact C-N 3.3Å; N757-L759 PolarHBondContact O-N 3.35Å; L759-S761 VanDerWaalsContact C-N 3.33Å; L759-L762 HydrophobicContact CD2-CD1 4.28Å; L759-T763 PolarHBondContact O-N 2.91Å; L759-W787 HydrophobicContact CD1-CD2 4.37Å; L759-W787 HydrophobicContact CD1-CE3 3.89Å; L759-W787 HydrophobicContact CD1-CH2 4.18Å; L759-W787 HydrophobicContact CD1-CZ3 3.78Å
760	S	55.2	Low	52.9	Low	67 Å²	67	64.4 Å²	64.4	47%	0.469	34%	0.344	S	S	.	.	H	α-helix	trans	-73	-24.8	173.3	79.8	0	0	0	0	113.2	A756 N757 F758 T763	A756-S760 PolarHBondContact O-N 2.65Å; N757-S760 PolarHBondContact O-N 3.17Å; N757-S760 PolarHBondContact O-OG 2.89Å; F758-S760 PolarHBondContact O-N 3.28Å; S760-T763 PolarHBondContact O-OG1 2.71Å
761	S	54.1	Low	50.8	Low	34 Å²	34	66.9 Å²	66.9	24%	0.238	36%	0.357	C	S	.	.	H	α-helix	trans	-75.9	-38	174	67.8	0	0	0	0	112.7	N757 F758 L759 T763 E764 E765	N757-S761 PolarHBondContact O-N 3.42Å; F758-S761 WeakPolarHBondContact O-CA 3.48Å; F758-S761 WeakPolarHBondContact O-CB 3.28Å; F758-S761 PolarHBondContact O-N 3.12Å; F758-S761 PolarHBondContact O-OG 3.19Å; L759-S761 VanDerWaalsContact C-N 3.33Å; S761-T763 PolarHBondContact O-N 3.36Å; S761-E764 PolarHBondContact O-N 2.93Å; S761-E765 PolarHBondContact O-N 2.78Å; S761-E765 VanDerWaalsContact O-N 3.17Å
762	L	47	Very low	48.6	Very low	20 Å²	20	70.5 Å²	70.5	11%	0.105	38%	0.379	C	S	.	.	H	α-helix	trans	-57.1	-36.7	174.1	-91	165.3	0	0	0	112.1	F758 L759 E764 M766 I771 I896 I920	F758-L762 HydrophobicContact CD1-CD1 4.08Å; F758-L762 HydrophobicContact CD2-CD1 4.33Å; F758-L762 HydrophobicContact CD2-CG 4.31Å; F758-L762 HydrophobicContact CE1-CD1 3.38Å; F758-L762 HydrophobicContact CE1-CG 4.29Å; F758-L762 HydrophobicContact CE2-CD1 3.68Å; F758-L762 HydrophobicContact CE2-CD2 4.36Å; F758-L762 HydrophobicContact CE2-CG 3.65Å; F758-L762 HydrophobicContact CZ-CD1 3.18Å; F758-L762 HydrophobicContact CZ-CD2 4.27Å; F758-L762 HydrophobicContact CZ-CG 3.67Å; F758-L762 PolarHBondContact O-N 2.93Å; L759-L762 HydrophobicContact CD2-CD1 4.28Å; L762-E764 PolarHBondContact O-N 2.86Å; L762-M766 HydrophobicContact CD2-SD 3.95Å; L762-M766 PolarHBondContact O-N 2.81Å; L762-I771 HydrophobicContact CD2-CD1 4.23Å; L762-I896 HydrophobicContact CD2-CD1 4.47Å; L762-I920 HydrophobicContact CD2-CD1 3.39Å; L762-I920 HydrophobicContact CG-CD1 3.93Å
763	T	47	Very low	46.7	Very low	65 Å²	65	71.8 Å²	71.8	40%	0.399	39%	0.39	S	S	.	.	H	α-helix	trans	-69.5	-18.8	177.3	48.1	0	0	0	0	114.6	L759 S760 S761 I773	L759-T763 PolarHBondContact O-N 2.91Å; S760-T763 PolarHBondContact O-OG1 2.71Å; S761-T763 PolarHBondContact O-N 3.36Å; T763-I773 HydrophobicContact CG2-CD1 3.07Å; T763-I773 HydrophobicContact CG2-CG1 4.32Å
764	E	46.1	Very low	44.6	Very low	171 Å²	171	75 Å²	75	80%	0.799	41%	0.407	S	S	*	.	H	α-helix	trans	-95.1	-36.7	-179.4	-74.5	-174.9	166.4	0	0	112.6	S761 L762	S761-E764 PolarHBondContact O-N 2.93Å; L762-E764 PolarHBondContact O-N 2.86Å
765	E	46	Very low	42.7	Very low	140 Å²	140	84.1 Å²	84.1	65%	0.654	44%	0.442	S	S	*	.	H	α-helix	trans	-91	-20.8	-173.3	-75.8	-172.7	162.3	0	0	115.2	S761	S761-E765 PolarHBondContact O-N 2.78Å; S761-E765 VanDerWaalsContact O-N 3.17Å
766	M	37	Very low	41	Very low	60 Å²	60	89.7 Å²	89.7	30%	0.296	47%	0.472	S	S	.	.	S	Bend	trans	-104.6	128.1	-179.5	-69.4	-168.5	61.1	0	0	111	L762 Q768 I771	L762-M766 HydrophobicContact CD2-SD 3.95Å; L762-M766 PolarHBondContact O-N 2.81Å; M766-Q768 PolarHBondContact O-N 3.17Å; M766-I771 HydrophobicContact CB-CD1 3.79Å; M766-I771 HydrophobicContact CE-CD1 3.79Å; M766-I771 HydrophobicContact CE-CG1 4.42Å; M766-I771 HydrophobicContact CG-CD1 4.16Å; M766-I771 HydrophobicContact SD-CD1 3.5Å; M766-I771 VanDerWaalsContact SD-CD1 3.5Å
767	D	38.5	Very low	39.4	Very low	144 Å²	144	95.1 Å²	95.1	77%	0.77	49%	0.491	S	S	*	.			trans	-46.8	128.2	175.4	-87.4	-36.7	0	0	0	110.2	S769 D770	D767-S769 PolarHBondContact O-N 2.79Å; D767-D770 PolarHBondContact O-N 2.9Å
768	Q	30.4	Very low	38	Very low	178 Å²	178	95.7 Å²	95.7	83%	0.832	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-5.8	-167.3	-70.1	-171.2	-24.9	0	0	115.5	M766	M766-Q768 PolarHBondContact O-N 3.17Å
769	S	31	Very low	36.6	Very low	97 Å²	97	101.8 Å²	101.8	68%	0.678	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-24	-176.6	46.1	0	0	0	0	114.4	D767	D767-S769 PolarHBondContact O-N 2.79Å
770	D	30.3	Very low	35.8	Very low	124 Å²	124	105.8 Å²	105.8	66%	0.663	54%	0.543	S	S	*	.	S	Bend	trans	-116.4	2.1	-168.2	-66.3	-8	0	0	0	114.9	D767	D767-D770 PolarHBondContact O-N 2.9Å
771	I	31.7	Very low	34.8	Very low	51 Å²	51	109.3 Å²	109.3	26%	0.262	55%	0.55	S	S	.	*			trans	-131.3	108.6	179.2	-57.9	-177.5	0	0	0	110.7	L762 M766 I773	L762-I771 HydrophobicContact CD2-CD1 4.23Å; M766-I771 HydrophobicContact CB-CD1 3.79Å; M766-I771 HydrophobicContact CE-CD1 3.79Å; M766-I771 HydrophobicContact CE-CG1 4.42Å; M766-I771 HydrophobicContact CG-CD1 4.16Å; M766-I771 HydrophobicContact SD-CD1 3.5Å; M766-I771 VanDerWaalsContact SD-CD1 3.5Å; I771-I773 HydrophobicContact CG2-CG1 4.47Å
772	V	25.6	Very low	33.7	Very low	77 Å²	77	115.3 Å²	115.3	47%	0.467	58%	0.579	S	S	.	*			trans	-105.2	123	171.8	174.2	0	0	0	0	109.4	L774 T783	V772-L774 HydrophobicContact CG1-CD2 3.88Å; V772-L774 HydrophobicContact CG1-CG 4.15Å; V772-T783 HydrophobicContact CB-CG2 3.42Å; V772-T783 VanDerWaalsContact CB-CG2 3.42Å; V772-T783 HydrophobicContact CG1-CG2 3.94Å; V772-T783 HydrophobicContact CG2-CG2 3.68Å
773	I	27.8	Very low	33	Very low	95 Å²	95	116.4 Å²	116.4	49%	0.487	59%	0.586	S	S	.	*			trans	-92.9	104.8	174.4	-63.9	177.6	0	0	0	107.9	T763 I771 Y775	T763-I773 HydrophobicContact CG2-CD1 3.07Å; T763-I773 HydrophobicContact CG2-CG1 4.32Å; I771-I773 HydrophobicContact CG2-CG1 4.47Å; I773-Y775 HydrophobicContact CG2-CD2 4.35Å; I773-Y775 PolarHBondContact O-N 3.45Å
774	L	26.8	Very low	32.3	Very low	87 Å²	87	117.3 Å²	117.3	46%	0.455	59%	0.589	S	S	.	*			trans	-80.5	120.3	179.8	-68.6	172.5	0	0	0	110.9	V772 H779	V772-L774 HydrophobicContact CG1-CD2 3.88Å; V772-L774 HydrophobicContact CG1-CG 4.15Å; L774-H779 HydrophobicContact CD2-CB 4.14Å
775	Y	26.3	Very low	31.7	Very low	194 Å²	194	112.7 Å²	112.7	76%	0.761	57%	0.572	S	S	*	*			trans	-105	-2.5	174.5	-119.1	-89.6	0	0	0	113.4	I773 R789	I773-Y775 HydrophobicContact CG2-CD2 4.35Å; I773-Y775 PolarHBondContact O-N 3.45Å; Y775-R789 PolarHBondContact OH-NH1 2.77Å
776	D	25.5	Very low	31.3	Very low	128 Å²	128	112.6 Å²	112.6	68%	0.684	58%	0.575	S	S	*	*	S	Bend	trans	-162.3	156.7	-176.6	-156.1	-6.6	0	0	0	112.4	A778	D776-A778 PolarHBondContact O-N 3.22Å
777	E	28.3	Very low	31.4	Very low	150 Å²	150	116 Å²	116	70%	0.701	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	4.5	-165.7	-67.6	-178.8	-174.9	0	0	115.7	K798	E777-K798 IonicContact OE1-NZ 3.07Å; E777-K798 PolarHBondContact OE1-NZ 2.94Å
778	A	31.6	Very low	31.4	Very low	63 Å²	63	113 Å²	113	52%	0.521	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.8	-4.9	-162.5	0	0	0	0	0	117.8	D776	D776-A778 PolarHBondContact O-N 3.22Å
779	H	31.2	Very low	31.4	Very low	141 Å²	141	112.6 Å²	112.6	65%	0.653	56%	0.559	S	S	*	*			trans	-141.8	51.8	-171.1	-61.9	91.3	0	0	0	115.3	L774 F781	L774-H779 HydrophobicContact CD2-CB 4.14Å; H779-F781 PolarHBondContact O-N 3.45Å
780	W	35	Very low	31.6	Very low	136 Å²	136	111 Å²	111	52%	0.515	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-8.5	-171.5	56.2	-74.6	0	0	0	116.7	L782 M809	W780-L782 PolarHBondContact O-N 3.14Å; W780-M809 HydrophobicContact CZ3-CE 4.18Å
781	F	33.9	Very low	31.7	Very low	141 Å²	141	108.8 Å²	108.8	62%	0.618	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	9.4	-164.7	-49	-84.8	0	0	0	116.3	H779	H779-F781 PolarHBondContact O-N 3.45Å
782	L	30.7	Very low	31.8	Very low	160 Å²	160	112.1 Å²	112.1	84%	0.838	57%	0.565	S	S	*	*	S	Bend	trans	-134.6	17.2	-163.9	-80.9	169.2	0	0	0	116.6	W780	W780-L782 PolarHBondContact O-N 3.14Å
783	T	31.8	Very low	32	Very low	42 Å²	42	118 Å²	118	26%	0.258	58%	0.579	S	S	.	*			trans	-144.9	128.7	-164.9	74.4	0	0	0	0	114.8	V772 T785	V772-T783 HydrophobicContact CB-CG2 3.42Å; V772-T783 VanDerWaalsContact CB-CG2 3.42Å; V772-T783 HydrophobicContact CG1-CG2 3.94Å; V772-T783 HydrophobicContact CG2-CG2 3.68Å; T783-T785 VanDerWaalsContact C-N 3.34Å; T783-T785 PolarHBondContact O-N 3.11Å
784	D	33.6	Very low	32.1	Very low	85 Å²	85	124.7 Å²	124.7	46%	0.455	60%	0.599	S	S	.	*	S	Bend	trans	-84.1	8.2	-173.9	-71.2	-10.2	0	0	0	115	V899	D784-V899 WeakPolarHBondContact O-CB 3.4Å; D784-V899 PolarHBondContact O-N 2.85Å
785	T	33.6	Very low	32.4	Very low	73 Å²	73	124.3 Å²	124.3	45%	0.448	60%	0.603	S	S	.	*			trans	-135.2	129.5	-176.9	-38.2	0	0	0	0	112.1	T783	T783-T785 VanDerWaalsContact C-N 3.34Å; T783-T785 PolarHBondContact O-N 3.11Å
786	L	37.1	Very low	32.6	Very low	138 Å²	138	121.6 Å²	121.6	72%	0.723	60%	0.6	S	S	*	*			trans	-107.8	131.7	-179.3	179.7	73.5	0	0	0	110.7
787	W	39.6	Very low	33.1	Very low	132 Å²	132	123.5 Å²	123.5	50%	0.5	60%	0.602	S	S	.	*			trans	-137.9	134.6	163.1	-154.2	72.7	0	0	0	112	M755 L759 R789	M755-W787 HydrophobicContact CE-CZ2 3.64Å; L759-W787 HydrophobicContact CD1-CD2 4.37Å; L759-W787 HydrophobicContact CD1-CE3 3.89Å; L759-W787 HydrophobicContact CD1-CH2 4.18Å; L759-W787 HydrophobicContact CD1-CZ3 3.78Å; W787-R789 HydrophobicContact CE3-CB 4.26Å; W787-R789 HydrophobicContact CZ3-CB 3.82Å; W787-R789 HydrophobicContact CZ3-CG 4.22Å
788	I	36.8	Very low	33.5	Very low	81 Å²	81	122.9 Å²	122.9	42%	0.415	60%	0.597	S	S	.	*			trans	-104.9	117	178.8	-59.2	173.4	0	0	0	108.1	P790 F802 V815	I788-P790 WeakPolarHBondContact O-CD 3.39Å; I788-F802 HydrophobicContact CD1-CZ 4.24Å; I788-V815 HydrophobicContact CD1-CG1 3.57Å
789	R	31	Very low	33.8	Very low	170 Å²	170	124.6 Å²	124.6	64%	0.642	60%	0.597	S	S	*	*			trans	-89.3	118.1	170.6	-176.5	-176.9	-177.2	167.9	6.2	109.8	Y775 W787 S791	Y775-R789 PolarHBondContact OH-NH1 2.77Å; W787-R789 HydrophobicContact CE3-CB 4.26Å; W787-R789 HydrophobicContact CZ3-CB 3.82Å; W787-R789 HydrophobicContact CZ3-CG 4.22Å; R789-S791 PolarHBondContact O-N 3.46Å
790	P	34.6	Very low	34.1	Very low	62 Å²	62	122.5 Å²	122.5	40%	0.403	59%	0.591	S	S	.	*			trans	-68.4	122.6	164.4	-11.9	27	0	0	0	109	I788	I788-P790 WeakPolarHBondContact O-CD 3.39Å
791	S	32.8	Very low	34.5	Very low	78 Å²	78	118.6 Å²	118.6	55%	0.545	59%	0.588	S	S	.	*			trans	-105.3	118.5	167.4	177	0	0	0	0	108.5	R789 R793	R789-S791 PolarHBondContact O-N 3.46Å; S791-R793 PolarHBondContact O-N 3.25Å; S791-R793 VanDerWaalsContact O-N 3.14Å; S791-R793 PolarHBondContact OG-N 3.01Å; S791-R793 PolarHBondContact OG-O 3.12Å
792	P	34.8	Very low	34.8	Very low	121 Å²	121	115.4 Å²	115.4	79%	0.786	57%	0.574	S	S	*	*	S	Bend	trans	-69.8	-10.5	178.3	26.7	-32.5	0	0	0	112.5
793	R	29.3	Very low	35.3	Very low	200 Å²	200	111.3 Å²	111.3	76%	0.755	55%	0.552	S	S	*	*	S	Bend	trans	-114.2	88	178.7	-66.1	-172.9	-175.5	-178.5	2.8	109.7	S791	S791-R793 PolarHBondContact O-N 3.25Å; S791-R793 VanDerWaalsContact O-N 3.14Å; S791-R793 PolarHBondContact OG-N 3.01Å; S791-R793 PolarHBondContact OG-O 3.12Å
794	R	29.5	Very low	36	Very low	237 Å²	237	115.5 Å²	115.5	89%	0.894	57%	0.568	S	S	*	*	S	Bend	trans	163.2	112.8	141.6	-89.3	155.8	-176.1	-167.7	1	111.5
795	S	33.5	Very low	36.5	Very low	78 Å²	78	116.4 Å²	116.4	55%	0.545	57%	0.566	S	S	.	*			trans	41.5	105.3	143.7	168.4	0	0	0	0	117.9	K797 K798	S795-K797 PolarHBondContact O-N 3.37Å; S795-K797 WeakPolarHBondContact OG-CB 3.34Å; S795-K797 PolarHBondContact OG-N 2.9Å; S795-K798 PolarHBondContact O-N 3.29Å; S795-K798 VanDerWaalsContact O-N 3.08Å
796	I	29.6	Very low	36.8	Very low	137 Å²	137	113.8 Å²	113.8	70%	0.703	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-37.5	-26.4	164.5	-76.9	158.1	0	0	0	114.9	K798 L799 D800	I796-K798 PolarHBondContact O-N 2.96Å; I796-K798 VanDerWaalsContact O-N 3.1Å; I796-L799 WeakPolarHBondContact O-CA 3.48Å; I796-L799 VanDerWaalsContact O-CB 3.27Å; I796-L799 WeakPolarHBondContact O-CB 3.38Å; I796-L799 PolarHBondContact O-N 3.39Å; I796-D800 PolarHBondContact O-N 3.45Å
797	K	36.6	Very low	37	Very low	168 Å²	168	112 Å²	112	73%	0.73	54%	0.541	S	S	*	.	H	α-helix	trans	-58.9	-22.1	176	-65.4	-172.3	172.2	-174.4	0	115.2	S795	S795-K797 PolarHBondContact O-N 3.37Å; S795-K797 WeakPolarHBondContact OG-CB 3.34Å; S795-K797 PolarHBondContact OG-N 2.9Å
798	K	38.1	Very low	37.3	Very low	137 Å²	137	113.7 Å²	113.7	60%	0.596	55%	0.552	S	S	*	*	H	α-helix	trans	-82.7	-21.1	171.7	-76.7	-155.5	174.1	-155.6	0	112.9	E777 S795 I796 F802	E777-K798 IonicContact OE1-NZ 3.07Å; E777-K798 PolarHBondContact OE1-NZ 2.94Å; S795-K798 PolarHBondContact O-N 3.29Å; S795-K798 VanDerWaalsContact O-N 3.08Å; I796-K798 PolarHBondContact O-N 2.96Å; I796-K798 VanDerWaalsContact O-N 3.1Å; K798-F802 WeakPolarHBondContact O-CB 3.44Å; K798-F802 PolarHBondContact O-N 3.39Å
799	L	36	Very low	37.6	Very low	99 Å²	99	113.8 Å²	113.8	52%	0.518	55%	0.552	S	S	.	*	H	α-helix	trans	-69.9	-41.3	173.4	-163.1	76.7	0	0	0	110.2	I796 A801 F802 I803	I796-L799 WeakPolarHBondContact O-CA 3.48Å; I796-L799 VanDerWaalsContact O-CB 3.27Å; I796-L799 WeakPolarHBondContact O-CB 3.38Å; I796-L799 PolarHBondContact O-N 3.39Å; L799-A801 VanDerWaalsContact C-N 3.35Å; L799-A801 PolarHBondContact O-N 2.99Å; L799-F802 CarbonylContact O-C 3.6Å; L799-F802 PolarHBondContact O-N 3.35Å; L799-F802 VanDerWaalsContact O-N 3.16Å; L799-I803 HydrophobicContact CD2-CD1 4.12Å; L799-I803 HydrophobicContact CG-CD1 3.91Å; L799-I803 HydrophobicContact CG-CG1 4.34Å; L799-I803 WeakPolarHBondContact O-CB 3.47Å; L799-I803 VanDerWaalsContact O-CG1 3.26Å; L799-I803 WeakPolarHBondContact O-CG1 3.42Å; L799-I803 PolarHBondContact O-N 2.73Å
800	D	39.4	Very low	38	Very low	97 Å²	97	114.6 Å²	114.6	52%	0.519	56%	0.56	S	S	.	*	H	α-helix	trans	-61.5	-44	175.3	-65.4	-31.8	0	0	0	111.2	I796 F802 I803 E804	I796-D800 PolarHBondContact O-N 3.45Å; D800-F802 VanDerWaalsContact C-N 3.31Å; D800-F802 PolarHBondContact O-N 3.02Å; D800-I803 PolarHBondContact O-N 3.43Å; D800-E804 WeakPolarHBondContact O-CB 3.14Å; D800-E804 PolarHBondContact O-N 3.48Å
801	A	43.3	Very low	38.1	Very low	55 Å²	55	115 Å²	115	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-64.9	-33.7	175.7	0	0	0	0	0	112.7	L799 W805	L799-A801 VanDerWaalsContact C-N 3.35Å; L799-A801 PolarHBondContact O-N 2.99Å; A801-W805 WeakPolarHBondContact O-CB 3.3Å; A801-W805 PolarHBondContact O-N 3.11Å
802	F	40.3	Very low	38.1	Very low	74 Å²	74	114.9 Å²	114.9	33%	0.325	56%	0.557	S	S	.	*	H	α-helix	trans	-76.7	-38	176.4	-178.2	-99	0	0	0	112.5	I788 K798 L799 D800 W805 S806	I788-F802 HydrophobicContact CD1-CZ 4.24Å; K798-F802 WeakPolarHBondContact O-CB 3.44Å; K798-F802 PolarHBondContact O-N 3.39Å; L799-F802 CarbonylContact O-C 3.6Å; L799-F802 PolarHBondContact O-N 3.35Å; L799-F802 VanDerWaalsContact O-N 3.16Å; D800-F802 VanDerWaalsContact C-N 3.31Å; D800-F802 PolarHBondContact O-N 3.02Å; F802-W805 AromaticContact CD2-CE3 3.77Å; F802-W805 HydrophobicContact CD2-CE3 3.77Å; F802-W805 HydrophobicContact CD2-CZ3 4.16Å; F802-W805 AromaticContact CE2-CE3 3.55Å; F802-W805 HydrophobicContact CE2-CE3 3.55Å; F802-W805 AromaticContact CE2-CZ3 3.46Å; F802-W805 HydrophobicContact CE2-CZ3 3.46Å; F802-W805 VanDerWaalsContact CE2-CZ3 3.46Å; F802-W805 HydrophobicContact CZ-CE3 4.23Å; F802-W805 AromaticContact CZ-CZ3 3.97Å; F802-W805 HydrophobicContact CZ-CZ3 3.97Å; F802-W805 CarbonylContact O-C 3.55Å; F802-W805 PolarHBondContact O-N 3.26Å; F802-S806 VanDerWaalsContact O-CB 3.27Å; F802-S806 WeakPolarHBondContact O-CB 3.41Å; F802-S806 PolarHBondContact O-N 3.15Å; F802-S806 PolarHBondContact O-OG 3.43Å
803	I	39.3	Very low	37.7	Very low	74 Å²	74	118.3 Å²	118.3	38%	0.379	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-47	172	-69.6	167.5	0	0	0	108.5	L799 D800 W805 S806 D807	L799-I803 HydrophobicContact CD2-CD1 4.12Å; L799-I803 HydrophobicContact CG-CD1 3.91Å; L799-I803 HydrophobicContact CG-CG1 4.34Å; L799-I803 WeakPolarHBondContact O-CB 3.47Å; L799-I803 VanDerWaalsContact O-CG1 3.26Å; L799-I803 WeakPolarHBondContact O-CG1 3.42Å; L799-I803 PolarHBondContact O-N 2.73Å; D800-I803 PolarHBondContact O-N 3.43Å; I803-W805 VanDerWaalsContact C-N 3.28Å; I803-W805 PolarHBondContact O-N 2.92Å; I803-S806 WeakPolarHBondContact CA-OG 3.41Å; I803-S806 PolarHBondContact O-N 2.97Å; I803-S806 VanDerWaalsContact O-N 3.11Å; I803-S806 PolarHBondContact O-OG 3.3Å; I803-D807 WeakPolarHBondContact O-CB 3.31Å; I803-D807 PolarHBondContact O-N 2.63Å
804	E	47	Very low	37.7	Very low	129 Å²	129	113.9 Å²	113.9	60%	0.603	56%	0.555	S	S	*	*	H	α-helix	trans	-62.2	-35.2	176.5	-165.3	178.6	-157.3	0	0	111.7	D800 K808	D800-E804 WeakPolarHBondContact O-CB 3.14Å; D800-E804 PolarHBondContact O-N 3.48Å; E804-K808 VanDerWaalsContact O-CB 3.27Å; E804-K808 WeakPolarHBondContact O-CB 3.35Å; E804-K808 PolarHBondContact O-N 2.85Å
805	W	45.5	Very low	37.6	Very low	105 Å²	105	105.1 Å²	105.1	40%	0.398	53%	0.528	S	S	.	.	H	α-helix	trans	-70.3	-42.6	170.2	175.9	84.4	0	0	0	112.9	A801 F802 I803 K808 M809 I811	A801-W805 WeakPolarHBondContact O-CB 3.3Å; A801-W805 PolarHBondContact O-N 3.11Å; F802-W805 AromaticContact CD2-CE3 3.77Å; F802-W805 HydrophobicContact CD2-CE3 3.77Å; F802-W805 HydrophobicContact CD2-CZ3 4.16Å; F802-W805 AromaticContact CE2-CE3 3.55Å; F802-W805 HydrophobicContact CE2-CE3 3.55Å; F802-W805 AromaticContact CE2-CZ3 3.46Å; F802-W805 HydrophobicContact CE2-CZ3 3.46Å; F802-W805 VanDerWaalsContact CE2-CZ3 3.46Å; F802-W805 HydrophobicContact CZ-CE3 4.23Å; F802-W805 AromaticContact CZ-CZ3 3.97Å; F802-W805 HydrophobicContact CZ-CZ3 3.97Å; F802-W805 CarbonylContact O-C 3.55Å; F802-W805 PolarHBondContact O-N 3.26Å; I803-W805 VanDerWaalsContact C-N 3.28Å; I803-W805 PolarHBondContact O-N 2.92Å; W805-K808 CarbonylContact O-C 3.6Å; W805-K808 WeakPolarHBondContact O-CA 3.29Å; W805-K808 WeakPolarHBondContact O-CB 3.3Å; W805-K808 PolarHBondContact O-N 3.46Å; W805-K808 VanDerWaalsContact O-N 3.16Å; W805-M809 HydrophobicContact CD2-CG 4.13Å; W805-M809 HydrophobicContact CG-CG 4.43Å; W805-M809 HydrophobicContact CZ2-CE 4.31Å; W805-M809 HydrophobicContact CZ2-CG 3.9Å; W805-M809 WeakPolarHBondContact O-CB 3.25Å; W805-M809 WeakPolarHBondContact O-CG 3.34Å; W805-M809 PolarHBondContact O-N 3.13Å; W805-I811 HydrophobicContact CE3-CD1 4.35Å; W805-I811 HydrophobicContact CH2-CD1 3.41Å; W805-I811 VanDerWaalsContact CH2-CD1 3.41Å; W805-I811 HydrophobicContact CZ2-CD1 4.27Å; W805-I811 HydrophobicContact CZ3-CD1 3.46Å; W805-I811 VanDerWaalsContact CZ3-CD1 3.46Å
806	S	38.5	Very low	37.7	Very low	17 Å²	17	106.1 Å²	106.1	12%	0.119	53%	0.531	C	S	.	.	H	α-helix	trans	-68.2	-38	-179.8	76	0	0	0	0	111.7	F802 I803 M809 K810 I811	F802-S806 VanDerWaalsContact O-CB 3.27Å; F802-S806 WeakPolarHBondContact O-CB 3.41Å; F802-S806 PolarHBondContact O-N 3.15Å; F802-S806 PolarHBondContact O-OG 3.43Å; I803-S806 WeakPolarHBondContact CA-OG 3.41Å; I803-S806 PolarHBondContact O-N 2.97Å; I803-S806 VanDerWaalsContact O-N 3.11Å; I803-S806 PolarHBondContact O-OG 3.3Å; S806-M809 CarbonylContact O-C 3.45Å; S806-M809 PolarHBondContact O-N 3.29Å; S806-K810 WeakPolarHBondContact O-CA 3.31Å; S806-K810 PolarHBondContact O-N 2.94Å; S806-I811 PolarHBondContact O-N 3.05Å; S806-I811 VanDerWaalsContact O-N 3.12Å
807	D	41.7	Very low	37.9	Very low	100 Å²	100	103.5 Å²	103.5	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-67.4	-38.6	171	-87.5	-16.4	0	0	0	110	I803 K810	I803-D807 WeakPolarHBondContact O-CB 3.31Å; I803-D807 PolarHBondContact O-N 2.63Å; D807-K810 PolarHBondContact O-N 2.81Å
808	K	47	Very low	38.2	Very low	168 Å²	168	99.4 Å²	99.4	73%	0.73	50%	0.503	S	S	*	.	H	α-helix	trans	-64.6	-42.8	173.2	-99.4	-179.3	175.1	171.2	0	113	E804 W805 K810	E804-K808 VanDerWaalsContact O-CB 3.27Å; E804-K808 WeakPolarHBondContact O-CB 3.35Å; E804-K808 PolarHBondContact O-N 2.85Å; W805-K808 CarbonylContact O-C 3.6Å; W805-K808 WeakPolarHBondContact O-CA 3.29Å; W805-K808 WeakPolarHBondContact O-CB 3.3Å; W805-K808 PolarHBondContact O-N 3.46Å; W805-K808 VanDerWaalsContact O-N 3.16Å; K808-K810 VanDerWaalsContact C-N 3.27Å
809	M	41.2	Very low	38.7	Very low	84 Å²	84	93.4 Å²	93.4	41%	0.414	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.9	-178.9	-67.9	-60.4	-124.1	0	0	112.8	W780 W805 S806 I811	W780-M809 HydrophobicContact CZ3-CE 4.18Å; W805-M809 HydrophobicContact CD2-CG 4.13Å; W805-M809 HydrophobicContact CG-CG 4.43Å; W805-M809 HydrophobicContact CZ2-CE 4.31Å; W805-M809 HydrophobicContact CZ2-CG 3.9Å; W805-M809 WeakPolarHBondContact O-CB 3.25Å; W805-M809 WeakPolarHBondContact O-CG 3.34Å; W805-M809 PolarHBondContact O-N 3.13Å; S806-M809 CarbonylContact O-C 3.45Å; S806-M809 PolarHBondContact O-N 3.29Å; M809-I811 HydrophobicContact CB-CD1 3.92Å; M809-I811 HydrophobicContact CB-CG1 3.86Å; M809-I811 PolarHBondContact O-N 2.82Å; M809-I811 VanDerWaalsContact O-N 3.08Å
810	K	41.2	Very low	39.2	Very low	187 Å²	187	93.3 Å²	93.3	81%	0.813	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	32.8	-177.4	-62.4	-175.8	177.9	178.9	0	113.3	S806 D807 K808 S812	S806-K810 WeakPolarHBondContact O-CA 3.31Å; S806-K810 PolarHBondContact O-N 2.94Å; D807-K810 PolarHBondContact O-N 2.81Å; K808-K810 VanDerWaalsContact C-N 3.27Å; K810-S812 PolarHBondContact O-N 2.89Å
811	I	36	Very low	39.8	Very low	70 Å²	70	94.1 Å²	94.1	36%	0.359	48%	0.481	S	S	.	.			trans	-67.7	122.6	172.5	-61.7	170.7	0	0	0	105.2	W805 S806 M809 K813 V815	W805-I811 HydrophobicContact CE3-CD1 4.35Å; W805-I811 HydrophobicContact CH2-CD1 3.41Å; W805-I811 VanDerWaalsContact CH2-CD1 3.41Å; W805-I811 HydrophobicContact CZ2-CD1 4.27Å; W805-I811 HydrophobicContact CZ3-CD1 3.46Å; W805-I811 VanDerWaalsContact CZ3-CD1 3.46Å; S806-I811 PolarHBondContact O-N 3.05Å; S806-I811 VanDerWaalsContact O-N 3.12Å; M809-I811 HydrophobicContact CB-CD1 3.92Å; M809-I811 HydrophobicContact CB-CG1 3.86Å; M809-I811 PolarHBondContact O-N 2.82Å; M809-I811 VanDerWaalsContact O-N 3.08Å; I811-K813 PolarHBondContact O-N 2.81Å; I811-V815 HydrophobicContact CG2-CG2 3.88Å
812	S	32.7	Very low	40.7	Very low	76 Å²	76	91.8 Å²	91.8	53%	0.531	46%	0.461	S	S	.	.			trans	-42.2	132.2	177.1	173.4	0	0	0	0	109.6	K810 T814 V815	K810-S812 PolarHBondContact O-N 2.89Å; S812-T814 WeakPolarHBondContact CB-OG1 3.34Å; S812-T814 CarbonylContact O-C 3.58Å; S812-T814 PolarHBondContact O-N 2.77Å; S812-T814 PolarHBondContact OG-OG1 3.3Å; S812-V815 PolarHBondContact O-N 3.15Å
813	K	26.5	Very low	41.4	Very low	193 Å²	193	91.3 Å²	91.3	84%	0.839	46%	0.459	S	S	*	.	S	Bend	trans	-50.5	-12.6	178.6	-82.3	-177.2	172.3	-178.6	0	114.3	I811 V815	I811-K813 PolarHBondContact O-N 2.81Å; K813-V815 PolarHBondContact O-N 2.79Å; K813-V815 VanDerWaalsContact O-N 3.08Å
814	T	28.1	Very low	42.3	Very low	107 Å²	107	92.8 Å²	92.8	66%	0.656	47%	0.467	S	S	*	.			trans	-77.1	58.2	165.1	53.4	0	0	0	0	111.8	S812 V816	S812-T814 WeakPolarHBondContact CB-OG1 3.34Å; S812-T814 CarbonylContact O-C 3.58Å; S812-T814 PolarHBondContact O-N 2.77Å; S812-T814 PolarHBondContact OG-OG1 3.3Å; T814-V816 PolarHBondContact O-N 3.33Å
815	V	28.8	Very low	43.3	Very low	53 Å²	53	87.2 Å²	87.2	32%	0.321	44%	0.443	S	S	.	.			trans	-74.5	107.9	154.7	175	0	0	0	0	104.7	I788 I811 S812 K813 D817	I788-V815 HydrophobicContact CD1-CG1 3.57Å; I811-V815 HydrophobicContact CG2-CG2 3.88Å; S812-V815 PolarHBondContact O-N 3.15Å; K813-V815 PolarHBondContact O-N 2.79Å; K813-V815 VanDerWaalsContact O-N 3.08Å; V815-D817 VanDerWaalsContact C-N 3.31Å; V815-D817 PolarHBondContact O-N 3.09Å
816	V	34.2	Very low	44.8	Very low	99 Å²	99	82.3 Å²	82.3	60%	0.6	42%	0.424	S	S	*	.			trans	-65	95.8	-179.4	-172.6	0	0	0	0	107.4	T814 I818	T814-V816 PolarHBondContact O-N 3.33Å; V816-I818 HydrophobicContact CB-CG1 4.25Å; V816-I818 HydrophobicContact CG1-CD1 4.19Å; V816-I818 HydrophobicContact CG1-CG1 3.46Å; V816-I818 VanDerWaalsContact CG1-CG1 3.46Å; V816-I818 PolarHBondContact O-N 3.46Å
817	D	34.5	Very low	46.4	Very low	81 Å²	81	85.3 Å²	85.3	43%	0.433	44%	0.436	S	S	.	.			trans	-68.1	75.3	168.1	-172.5	0.9	0	0	0	108.1	V815 G819 L820	V815-D817 VanDerWaalsContact C-N 3.31Å; V815-D817 PolarHBondContact O-N 3.09Å; D817-G819 PolarHBondContact O-N 2.87Å; D817-G819 VanDerWaalsContact O-N 3.1Å; D817-G819 WeakPolarHBondContact OD1-CA 3.49Å; D817-G819 PolarHBondContact OD1-N 3.18Å; D817-L820 PolarHBondContact OD1-N 3.39Å; D817-L820 WeakPolarHBondContact OD2-CD1 3.42Å
818	I	42.4	Very low	47.8	Very low	82 Å²	82	87.2 Å²	87.2	42%	0.421	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-10.1	172.6	-51	175.2	0	0	0	109.5	V816 L822	V816-I818 HydrophobicContact CB-CG1 4.25Å; V816-I818 HydrophobicContact CG1-CD1 4.19Å; V816-I818 HydrophobicContact CG1-CG1 3.46Å; V816-I818 VanDerWaalsContact CG1-CG1 3.46Å; V816-I818 PolarHBondContact O-N 3.46Å; I818-L822 HydrophobicContact CG2-CB 4.39Å; I818-L822 WeakPolarHBondContact O-CB 3.3Å; I818-L822 PolarHBondContact O-N 3.19Å
819	G	48.4	Very low	49.3	Very low	12 Å²	12	80.1 Å²	80.1	12%	0.124	41%	0.406	C	S	.	.	H	α-helix	trans	-65.8	-60.8	177.8	0	0	0	0	0	112.3	D817 E823	D817-G819 PolarHBondContact O-N 2.87Å; D817-G819 VanDerWaalsContact O-N 3.1Å; D817-G819 WeakPolarHBondContact OD1-CA 3.49Å; D817-G819 PolarHBondContact OD1-N 3.18Å; G819-E823 WeakPolarHBondContact O-CB 3.44Å; G819-E823 WeakPolarHBondContact O-CG 3.03Å; G819-E823 PolarHBondContact O-N 3.11Å
820	L	46.6	Very low	51	Low	97 Å²	97	76.3 Å²	76.3	51%	0.508	39%	0.387	S	S	.	.	H	α-helix	trans	-70.9	-40.4	-173.7	-108.7	132	0	0	0	112.9	D817 E823 I824	D817-L820 PolarHBondContact OD1-N 3.39Å; D817-L820 WeakPolarHBondContact OD2-CD1 3.42Å; L820-E823 PolarHBondContact O-N 3.16Å; L820-I824 HydrophobicContact CD2-CD1 3.95Å; L820-I824 HydrophobicContact CD2-CG1 4.45Å; L820-I824 WeakPolarHBondContact O-CB 3.21Å; L820-I824 WeakPolarHBondContact O-CD1 3.34Å; L820-I824 WeakPolarHBondContact O-CG1 3.35Å; L820-I824 PolarHBondContact O-N 3.1Å
821	E	52.7	Low	52.3	Low	113 Å²	113	69.6 Å²	69.6	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-65	-44.1	179.4	-66.7	179.7	175.3	0	0	111.7	I824 A825 F877	E821-I824 PolarHBondContact O-N 3.17Å; E821-A825 VanDerWaalsContact O-CB 3.29Å; E821-A825 WeakPolarHBondContact O-CB 3.1Å; E821-A825 PolarHBondContact O-N 3.04Å; E821-F877 HydrophobicContact CB-CZ 4.09Å; E821-F877 WeakPolarHBondContact O-CE2 3.48Å
822	L	62.1	Low	54.1	Low	7 Å²	7	66.7 Å²	66.7	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-42.3	175.8	-176	66.9	0	0	0	111.5	P751 M755 I818 F826 F877 I892	P751-L822 HydrophobicContact CB-CD1 3.95Å; P751-L822 HydrophobicContact CB-CD2 4.03Å; P751-L822 HydrophobicContact CB-CG 4.1Å; P751-L822 HydrophobicContact CG-CD1 3.92Å; P751-L822 HydrophobicContact CG-CD2 4.13Å; P751-L822 HydrophobicContact CG-CG 3.8Å; M755-L822 HydrophobicContact SD-CD2 3.53Å; M755-L822 VanDerWaalsContact SD-CD2 3.53Å; I818-L822 HydrophobicContact CG2-CB 4.39Å; I818-L822 WeakPolarHBondContact O-CB 3.3Å; I818-L822 PolarHBondContact O-N 3.19Å; L822-F826 WeakPolarHBondContact O-CB 3.35Å; L822-F826 PolarHBondContact O-N 2.98Å; L822-F877 VanDerWaalsContact CA-CE2 3.43Å; L822-F877 HydrophobicContact CB-CD2 4.49Å; L822-F877 HydrophobicContact CB-CE2 4.17Å; L822-F877 HydrophobicContact CB-CZ 4.39Å; L822-F877 HydrophobicContact CD1-CB 3.9Å; L822-F877 HydrophobicContact CD1-CD1 4.1Å; L822-F877 HydrophobicContact CD1-CD2 3.5Å; L822-F877 HydrophobicContact CD1-CE2 4.03Å; L822-F877 HydrophobicContact CD1-CG 3.55Å; L822-I892 HydrophobicContact CD1-CD1 4.29Å
823	E	55.6	Low	56.1	Low	63 Å²	63	63.2 Å²	63.2	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-48.3	174.3	-80	-176.4	-177.8	0	0	111.5	W752 G819 L820 F826 H827	W752-E823 HydrophobicContact CE3-CG 3.86Å; W752-E823 HydrophobicContact CH2-CG 4.05Å; W752-E823 HydrophobicContact CZ3-CB 4.33Å; W752-E823 HydrophobicContact CZ3-CG 3.51Å; G819-E823 WeakPolarHBondContact O-CB 3.44Å; G819-E823 WeakPolarHBondContact O-CG 3.03Å; G819-E823 PolarHBondContact O-N 3.11Å; L820-E823 PolarHBondContact O-N 3.16Å; E823-F826 PolarHBondContact O-N 3.33Å; E823-H827 PolarHBondContact O-N 3.16Å; E823-H827 PolarHBondContact O-ND1 3.23Å
824	I	58.3	Low	58.3	Low	106 Å²	106	54.8 Å²	54.8	54%	0.544	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-48.6	179.3	-70.3	163.1	0	0	0	110.5	L820 E821 F826 H827 W828	L820-I824 HydrophobicContact CD2-CD1 3.95Å; L820-I824 HydrophobicContact CD2-CG1 4.45Å; L820-I824 WeakPolarHBondContact O-CB 3.21Å; L820-I824 WeakPolarHBondContact O-CD1 3.34Å; L820-I824 WeakPolarHBondContact O-CG1 3.35Å; L820-I824 PolarHBondContact O-N 3.1Å; E821-I824 PolarHBondContact O-N 3.17Å; I824-F826 PolarHBondContact O-N 3.03Å; I824-H827 PolarHBondContact O-N 3.49Å; I824-W828 WeakPolarHBondContact O-CB 3.42Å; I824-W828 PolarHBondContact O-N 2.94Å
825	A	67.5	Low	60.3	Low	12 Å²	12	53.1 Å²	53.1	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-44.5	178.4	0	0	0	0	0	111.5	E821 H827 W828 D829 F876 F877	E821-A825 VanDerWaalsContact O-CB 3.29Å; E821-A825 WeakPolarHBondContact O-CB 3.1Å; E821-A825 PolarHBondContact O-N 3.04Å; A825-H827 VanDerWaalsContact C-N 3.35Å; A825-H827 PolarHBondContact O-N 3.31Å; A825-W828 WeakPolarHBondContact O-CB 3.36Å; A825-W828 PolarHBondContact O-N 3.44Å; A825-W828 VanDerWaalsContact O-N 3.17Å; A825-D829 PolarHBondContact O-N 3.23Å; A825-F876 HydrophobicContact CB-CB 4.2Å; A825-F877 HydrophobicContact CB-CD2 3.54Å; A825-F877 HydrophobicContact CB-CE2 3.53Å
826	F	77.3	Confident	62.5	Low	1 Å²	1	50.9 Å²	50.9	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-43.2	175.5	175.2	-105	0	0	0	112.7	L726 I748 P750 P751 W752 L822 E823 I824 W828 D829 L830 Y880	L726-F826 HydrophobicContact CD1-CE1 4.38Å; L726-F826 HydrophobicContact CD2-CE1 4.25Å; L726-F826 HydrophobicContact CD2-CZ 3.81Å; I748-F826 HydrophobicContact CG2-CE2 3.75Å; I748-F826 HydrophobicContact CG2-CZ 4.03Å; P750-F826 HydrophobicContact CB-CE1 4.15Å; P750-F826 HydrophobicContact CB-CZ 4.08Å; P750-F826 HydrophobicContact CG-CE1 4.34Å; P750-F826 HydrophobicContact CG-CZ 4.2Å; P751-F826 HydrophobicContact CG-CB 3.99Å; P751-F826 HydrophobicContact CG-CD2 3.85Å; P751-F826 HydrophobicContact CG-CG 4.02Å; W752-F826 AromaticContact CH2-CD1 3.69Å; W752-F826 HydrophobicContact CH2-CD1 3.69Å; W752-F826 AromaticContact CH2-CE1 3.94Å; W752-F826 HydrophobicContact CH2-CE1 3.94Å; W752-F826 HydrophobicContact CZ3-CB 4.37Å; W752-F826 AromaticContact CZ3-CD1 3.79Å; W752-F826 HydrophobicContact CZ3-CD1 3.79Å; W752-F826 HydrophobicContact CZ3-CE1 4.37Å; W752-F826 HydrophobicContact CZ3-CG 4.18Å; L822-F826 WeakPolarHBondContact O-CB 3.35Å; L822-F826 PolarHBondContact O-N 2.98Å; E823-F826 PolarHBondContact O-N 3.33Å; I824-F826 PolarHBondContact O-N 3.03Å; F826-W828 VanDerWaalsContact C-N 3.35Å; F826-D829 PolarHBondContact O-N 2.88Å; F826-L830 HydrophobicContact CD1-CD1 3.84Å; F826-L830 HydrophobicContact CE1-CD1 3.34Å; F826-L830 HydrophobicContact CE1-CG 4.27Å; F826-L830 HydrophobicContact CE2-CD1 4.4Å; F826-L830 HydrophobicContact CZ-CD1 3.65Å; F826-L830 HydrophobicContact CZ-CG 4.17Å; F826-L830 WeakPolarHBondContact O-CG 3.45Å; F826-L830 PolarHBondContact O-N 3.15Å; F826-Y880 HydrophobicContact CD2-CE1 4.36Å; F826-Y880 WeakPolarHBondContact CD2-OH 3.47Å; F826-Y880 HydrophobicContact CE2-CE1 4.17Å
827	H	71.4	Confident	64.3	Low	80 Å²	80	46.1 Å²	46.1	37%	0.37	23%	0.234	S	C	.	.	H	α-helix	trans	-68.6	-35.5	176.7	-73.7	76.3	0	0	0	111.6	E823 I824 A825 L830 V831	E823-H827 PolarHBondContact O-N 3.16Å; E823-H827 PolarHBondContact O-ND1 3.23Å; I824-H827 PolarHBondContact O-N 3.49Å; A825-H827 VanDerWaalsContact C-N 3.35Å; A825-H827 PolarHBondContact O-N 3.31Å; H827-L830 WeakPolarHBondContact O-CB 3.35Å; H827-L830 PolarHBondContact O-N 2.98Å; H827-V831 WeakPolarHBondContact O-CB 3.3Å; H827-V831 VanDerWaalsContact O-CG2 3.27Å; H827-V831 WeakPolarHBondContact O-CG2 3.45Å; H827-V831 PolarHBondContact O-N 2.97Å
828	W	71.9	Confident	65.9	Low	141 Å²	141	46 Å²	46	53%	0.534	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-44.1	173.2	-175.2	-97.5	0	0	0	111.8	I824 A825 F826 L830 V831 S832	I824-W828 WeakPolarHBondContact O-CB 3.42Å; I824-W828 PolarHBondContact O-N 2.94Å; A825-W828 WeakPolarHBondContact O-CB 3.36Å; A825-W828 PolarHBondContact O-N 3.44Å; A825-W828 VanDerWaalsContact O-N 3.17Å; F826-W828 VanDerWaalsContact C-N 3.35Å; W828-L830 VanDerWaalsContact C-N 3.33Å; W828-L830 PolarHBondContact O-N 2.67Å; W828-V831 PolarHBondContact O-N 3.29Å; W828-S832 VanDerWaalsContact O-CB 3.26Å; W828-S832 WeakPolarHBondContact O-CB 3.43Å; W828-S832 PolarHBondContact O-N 3.08Å; W828-S832 PolarHBondContact O-OG 2.96Å
829	D	77.2	Confident	67.1	Low	18 Å²	18	44.9 Å²	44.9	10%	0.096	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-41.8	176.4	-65.4	-27.3	0	0	0	111	A825 F826 T833 Y880	A825-D829 PolarHBondContact O-N 3.23Å; F826-D829 PolarHBondContact O-N 2.88Å; D829-T833 WeakPolarHBondContact O-CB 3.46Å; D829-T833 PolarHBondContact O-N 3.34Å; D829-T833 PolarHBondContact O-OG1 2.95Å; D829-Y880 HydrophobicContact CB-CE2 4.15Å; D829-Y880 PolarHBondContact OD2-OH 3.2Å
830	L	77.3	Confident	67.8	Low	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-48.9	174.3	-80.4	168.9	0	0	0	112.7	I724 L726 I748 F826 H827 W828 T833 A834	I724-L830 HydrophobicContact CG2-CD2 3.69Å; L726-L830 HydrophobicContact CD1-CD1 4.28Å; L726-L830 HydrophobicContact CD2-CD1 4.06Å; L726-L830 HydrophobicContact CD2-CD2 4.05Å; I748-L830 HydrophobicContact CD1-CD2 3.59Å; F826-L830 HydrophobicContact CD1-CD1 3.84Å; F826-L830 HydrophobicContact CE1-CD1 3.34Å; F826-L830 HydrophobicContact CE1-CG 4.27Å; F826-L830 HydrophobicContact CE2-CD1 4.4Å; F826-L830 HydrophobicContact CZ-CD1 3.65Å; F826-L830 HydrophobicContact CZ-CG 4.17Å; F826-L830 WeakPolarHBondContact O-CG 3.45Å; F826-L830 PolarHBondContact O-N 3.15Å; H827-L830 WeakPolarHBondContact O-CB 3.35Å; H827-L830 PolarHBondContact O-N 2.98Å; W828-L830 VanDerWaalsContact C-N 3.33Å; W828-L830 PolarHBondContact O-N 2.67Å; L830-T833 PolarHBondContact O-N 3.36Å; L830-A834 WeakPolarHBondContact O-CB 3.47Å; L830-A834 PolarHBondContact O-N 3.1Å
831	V	69.9	Low	68.4	Low	46 Å²	46	45.1 Å²	45.1	28%	0.279	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-42.8	-178.9	168.4	0	0	0	0	110.6	F673 H827 W828 T833 A834 L835	F673-V831 HydrophobicContact CE1-CG1 4.23Å; F673-V831 HydrophobicContact CZ-CG1 4.09Å; H827-V831 WeakPolarHBondContact O-CB 3.3Å; H827-V831 VanDerWaalsContact O-CG2 3.27Å; H827-V831 WeakPolarHBondContact O-CG2 3.45Å; H827-V831 PolarHBondContact O-N 2.97Å; W828-V831 PolarHBondContact O-N 3.29Å; V831-T833 VanDerWaalsContact C-N 3.34Å; V831-T833 PolarHBondContact O-N 2.8Å; V831-A834 PolarHBondContact O-N 3.1Å; V831-L835 HydrophobicContact CG1-CD1 3.77Å; V831-L835 WeakPolarHBondContact O-CB 3.49Å; V831-L835 PolarHBondContact O-N 2.82Å
832	S	72.6	Confident	68.5	Low	9 Å²	9	41.8 Å²	41.8	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-43.4	177.4	-58.8	0	0	0	0	111.4	W828 F836	W828-S832 VanDerWaalsContact O-CB 3.26Å; W828-S832 WeakPolarHBondContact O-CB 3.43Å; W828-S832 PolarHBondContact O-N 3.08Å; W828-S832 PolarHBondContact O-OG 2.96Å; S832-F836 WeakPolarHBondContact O-CB 3.26Å; S832-F836 PolarHBondContact O-N 3.23Å
833	T	75.8	Confident	68.1	Low	3 Å²	3	49.3 Å²	49.3	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-41.3	174.5	-56.7	0	0	0	0	111.7	D829 L830 V831 F836 L837 A851 M855	D829-T833 WeakPolarHBondContact O-CB 3.46Å; D829-T833 PolarHBondContact O-N 3.34Å; D829-T833 PolarHBondContact O-OG1 2.95Å; L830-T833 PolarHBondContact O-N 3.36Å; V831-T833 VanDerWaalsContact C-N 3.34Å; V831-T833 PolarHBondContact O-N 2.8Å; T833-F836 PolarHBondContact O-N 3.49Å; T833-L837 HydrophobicContact CG2-CD1 4.2Å; T833-L837 VanDerWaalsContact O-CG 3.27Å; T833-L837 WeakPolarHBondContact O-CG 3.19Å; T833-L837 PolarHBondContact O-N 2.88Å; T833-A851 HydrophobicContact CG2-CB 3.81Å; T833-M855 HydrophobicContact CG2-CG 4.29Å; T833-M855 WeakPolarHBondContact OG1-CG 3.35Å
834	A	72.1	Confident	68	Low	16 Å²	16	50 Å²	50	13%	0.132	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-42.8	178.4	0	0	0	0	0	112.5	V698 I700 I724 L830 V831 L837 H838	V698-A834 HydrophobicContact CG1-CB 3.99Å; I700-A834 HydrophobicContact CD1-CB 4.45Å; I724-A834 HydrophobicContact CD1-CB 4.3Å; L830-A834 WeakPolarHBondContact O-CB 3.47Å; L830-A834 PolarHBondContact O-N 3.1Å; V831-A834 PolarHBondContact O-N 3.1Å; A834-L837 PolarHBondContact O-N 3.02Å; A834-H838 WeakPolarHBondContact O-CB 3.43Å; A834-H838 PolarHBondContact O-N 3.01Å
835	L	70.6	Confident	67.8	Low	73 Å²	73	53.8 Å²	53.8	38%	0.382	27%	0.272	S	S	.	.	H	α-helix	trans	-60	-45.9	172.7	-86	155.7	0	0	0	111.4	F673 V831 L837 H838 S839 L870	F673-L835 HydrophobicContact CE2-CD1 4.45Å; F673-L835 HydrophobicContact CZ-CD1 3.86Å; F673-L835 HydrophobicContact CZ-CD2 4.16Å; F673-L835 HydrophobicContact CZ-CG 4.17Å; V831-L835 HydrophobicContact CG1-CD1 3.77Å; V831-L835 WeakPolarHBondContact O-CB 3.49Å; V831-L835 PolarHBondContact O-N 2.82Å; L835-L837 PolarHBondContact O-N 2.83Å; L835-H838 PolarHBondContact O-N 3.09Å; L835-S839 PolarHBondContact O-N 2.91Å; L835-L870 HydrophobicContact CB-CD2 4.17Å; L835-L870 HydrophobicContact CD1-CD2 3.89Å
836	F	73.7	Confident	67.7	Low	5 Å²	5	54.3 Å²	54.3	2%	0.022	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-48.5	176.4	178.2	-113.5	0	0	0	111.3	S832 T833 H838 S839 F840 M850 C854 T859 A867 E868 C871	S832-F836 WeakPolarHBondContact O-CB 3.26Å; S832-F836 PolarHBondContact O-N 3.23Å; T833-F836 PolarHBondContact O-N 3.49Å; F836-H838 VanDerWaalsContact C-N 3.35Å; F836-H838 PolarHBondContact O-N 2.86Å; F836-S839 PolarHBondContact O-N 3.13Å; F836-S839 PolarHBondContact O-OG 3.2Å; F836-F840 HydrophobicContact CD1-CE2 4.48Å; F836-F840 AromaticContact CD2-CE2 3.86Å; F836-F840 HydrophobicContact CD2-CE2 3.86Å; F836-F840 HydrophobicContact CE1-CE2 4.13Å; F836-F840 AromaticContact CE2-CE2 3.46Å; F836-F840 HydrophobicContact CE2-CE2 3.46Å; F836-F840 VanDerWaalsContact CE2-CE2 3.46Å; F836-F840 AromaticContact CE2-CZ 3.87Å; F836-F840 HydrophobicContact CE2-CZ 3.87Å; F836-F840 HydrophobicContact CG-CE2 4.37Å; F836-F840 AromaticContact CZ-CE2 3.6Å; F836-F840 HydrophobicContact CZ-CE2 3.6Å; F836-F840 HydrophobicContact CZ-CZ 4.04Å; F836-F840 VanDerWaalsContact O-CD2 3.23Å; F836-F840 WeakPolarHBondContact O-CD2 3.3Å; F836-M850 HydrophobicContact CE1-CB 3.91Å; F836-C854 HydrophobicContact CD1-CB 4.1Å; F836-C854 HydrophobicContact CE1-CB 4.33Å; F836-T859 HydrophobicContact CZ-CG2 4.43Å; F836-A867 HydrophobicContact CD2-CB 4.17Å; F836-A867 VanDerWaalsContact CD2-O 3.31Å; F836-A867 WeakPolarHBondContact CD2-O 3.34Å; F836-E868 HydrophobicContact CE2-CG 3.82Å; F836-C871 HydrophobicContact CB-CB 4.4Å; F836-C871 HydrophobicContact CD2-CB 3.77Å; F836-C871 HydrophobicContact CE2-CB 4.09Å; F836-C871 HydrophobicContact CG-CB 4.01Å
837	L	72.4	Confident	67.2	Low	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-36	177.8	-69.5	171.4	0	0	0	113.2	V698 I724 T833 A834 L835 S839 F840 M847 M850 A851	V698-L837 HydrophobicContact CG2-CB 3.83Å; I724-L837 HydrophobicContact CD1-CD1 4.36Å; T833-L837 HydrophobicContact CG2-CD1 4.2Å; T833-L837 VanDerWaalsContact O-CG 3.27Å; T833-L837 WeakPolarHBondContact O-CG 3.19Å; T833-L837 PolarHBondContact O-N 2.88Å; A834-L837 PolarHBondContact O-N 3.02Å; L835-L837 PolarHBondContact O-N 2.83Å; L837-S839 PolarHBondContact O-N 3.29Å; L837-F840 PolarHBondContact O-N 3.28Å; L837-M847 HydrophobicContact CD2-CB 3.99Å; L837-M847 HydrophobicContact CD2-CG 3.98Å; L837-M847 WeakPolarHBondContact CD2-O 3.21Å; L837-M850 HydrophobicContact CD2-CB 4.28Å; L837-A851 HydrophobicContact CD1-CB 3.98Å; L837-A851 HydrophobicContact CD2-CB 4.12Å; L837-A851 HydrophobicContact CG-CB 4.38Å
838	H	69.1	Low	67.2	Low	78 Å²	78	53.6 Å²	53.6	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-29	177.9	-170.9	66	0	0	0	112.9	T695 A696 V698 A834 L835 F836 F840	T695-H838 PolarHBondContact OG1-CE1 3.49Å; T695-H838 VanDerWaalsContact OG1-CE1 3.28Å; A696-H838 PolarHBondContact O-CE1 3.3Å; A696-H838 PolarHBondContact O-ND1 2.63Å; V698-H838 HydrophobicContact CG2-CB 4.42Å; A834-H838 WeakPolarHBondContact O-CB 3.43Å; A834-H838 PolarHBondContact O-N 3.01Å; L835-H838 PolarHBondContact O-N 3.09Å; F836-H838 VanDerWaalsContact C-N 3.35Å; F836-H838 PolarHBondContact O-N 2.86Å; H838-F840 PolarHBondContact O-N 2.84Å
839	S	66.6	Low	67.3	Low	58 Å²	58	55.4 Å²	55.4	41%	0.406	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.9	-178	75.5	0	0	0	0	114.3	L835 F836 L837 A867	L835-S839 PolarHBondContact O-N 2.91Å; F836-S839 PolarHBondContact O-N 3.13Å; F836-S839 PolarHBondContact O-OG 3.2Å; L837-S839 PolarHBondContact O-N 3.29Å; S839-A867 VanDerWaalsContact OG-CB 3.29Å; S839-A867 WeakPolarHBondContact OG-CB 3.02Å
840	F	64	Low	67.1	Low	38 Å²	38	55.5 Å²	55.5	17%	0.167	28%	0.277	C	S	.	.	S	Bend	trans	-100.8	139.6	-179.9	-66.5	-82	0	0	0	112.8	F836 L837 H838 M850	F836-F840 HydrophobicContact CD1-CE2 4.48Å; F836-F840 AromaticContact CD2-CE2 3.86Å; F836-F840 HydrophobicContact CD2-CE2 3.86Å; F836-F840 HydrophobicContact CE1-CE2 4.13Å; F836-F840 AromaticContact CE2-CE2 3.46Å; F836-F840 HydrophobicContact CE2-CE2 3.46Å; F836-F840 VanDerWaalsContact CE2-CE2 3.46Å; F836-F840 AromaticContact CE2-CZ 3.87Å; F836-F840 HydrophobicContact CE2-CZ 3.87Å; F836-F840 HydrophobicContact CG-CE2 4.37Å; F836-F840 AromaticContact CZ-CE2 3.6Å; F836-F840 HydrophobicContact CZ-CE2 3.6Å; F836-F840 HydrophobicContact CZ-CZ 4.04Å; F836-F840 VanDerWaalsContact O-CD2 3.23Å; F836-F840 WeakPolarHBondContact O-CD2 3.3Å; L837-F840 PolarHBondContact O-N 3.28Å; H838-F840 PolarHBondContact O-N 2.84Å; F840-M850 HydrophobicContact CD2-SD 4.22Å; F840-M850 HydrophobicContact CE2-SD 4.42Å; F840-M850 HydrophobicContact CG-SD 4.28Å
841	P	59.3	Low	66.9	Low	76 Å²	76	55.3 Å²	55.3	49%	0.494	28%	0.276	S	S	.	.			trans	-65.5	141.4	172.3	25.2	-31.1	0	0	0	111.2	H843 S844	P841-H843 PolarHBondContact O-N 3.47Å; P841-S844 PolarHBondContact O-N 3.33Å
842	V	54.3	Low	67.2	Low	43 Å²	43	54.5 Å²	54.5	26%	0.261	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-20.1	-171	-170.3	0	0	0	0	114.7	A696 N720	A696-V842 HydrophobicContact CB-CG2 3.73Å; N720-V842 HydrophobicContact CB-CG1 3.83Å; N720-V842 VanDerWaalsContact ND2-CG1 3.29Å; N720-V842 WeakPolarHBondContact ND2-CG1 3.35Å; N720-V842 WeakPolarHBondContact OD1-CG1 3.08Å
843	H	53.9	Low	67.2	Low	166 Å²	166	55.7 Å²	55.7	77%	0.769	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	5.8	-169.4	-70.2	-7.7	0	0	0	115.9	N720 P841	N720-H843 PolarHBondContact ND2-CE1 3.24Å; P841-H843 PolarHBondContact O-N 3.47Å
844	S	52.2	Low	67.2	Low	77 Å²	77	55.9 Å²	55.9	54%	0.538	28%	0.279	S	S	.	.	S	Bend	trans	-95.1	-38.3	-164.5	-172.4	0	0	0	0	115.9	P841	P841-S844 PolarHBondContact O-N 3.33Å
845	R	55.3	Low	67.4	Low	186 Å²	186	55.3 Å²	55.3	70%	0.702	27%	0.274	S	S	*	.	S	Bend	trans	-157.3	161.1	-174.9	-70.5	-175	178.1	171.2	-1.9	111.2	M847 M850	R845-M847 PolarHBondContact O-N 3.12Å; R845-M850 HydrophobicContact CB-CE 3.57Å; R845-M850 HydrophobicContact CB-SD 3.89Å
846	S	64.4	Low	67.5	Low	22 Å²	22	54 Å²	54	15%	0.154	27%	0.268	C	S	.	.			trans	-57.1	104.7	170.7	58.2	0	0	0	0	109.9	D743 R848 R849 M850	D743-S846 WeakPolarHBondContact OD1-CB 3.14Å; D743-S846 VanDerWaalsContact OD2-CB 3.24Å; D743-S846 WeakPolarHBondContact OD2-CB 3.44Å; S846-R848 PolarHBondContact O-N 3.17Å; S846-R849 PolarHBondContact O-N 3.37Å; S846-R849 VanDerWaalsContact O-N 3.14Å; S846-R849 VanDerWaalsContact OG-CB 3.31Å; S846-R849 WeakPolarHBondContact OG-CB 3.38Å; S846-R849 WeakPolarHBondContact OG-CD 3.43Å; S846-R849 WeakPolarHBondContact OG-CG 3.47Å; S846-R849 PolarHBondContact OG-NE 3.36Å; S846-M850 PolarHBondContact O-N 2.83Å
847	M	67.2	Low	67.1	Low	17 Å²	17	54.7 Å²	54.7	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-38.3	-178.3	-91.1	175.6	-176.4	0	0	112	A696 C722 L837 R845 R849 M850 A851	A696-M847 HydrophobicContact CB-CE 3.33Å; A696-M847 HydrophobicContact CB-SD 4.46Å; C722-M847 HydrophobicContact CB-SD 3.53Å; C722-M847 VanDerWaalsContact CB-SD 3.53Å; L837-M847 HydrophobicContact CD2-CB 3.99Å; L837-M847 HydrophobicContact CD2-CG 3.98Å; L837-M847 WeakPolarHBondContact CD2-O 3.21Å; R845-M847 PolarHBondContact O-N 3.12Å; M847-R849 VanDerWaalsContact C-N 3.33Å; M847-R849 PolarHBondContact O-N 3.3Å; M847-M850 HydrophobicContact CG-CE 4Å; M847-M850 PolarHBondContact O-N 3.36Å; M847-M850 VanDerWaalsContact O-N 3.12Å; M847-A851 PolarHBondContact O-N 3.14Å
848	R	71.4	Confident	66.5	Low	49 Å²	49	58.7 Å²	58.7	19%	0.185	30%	0.3	C	S	.	.	H	α-helix	trans	-52.4	-47	174.8	-170.2	180	-178.6	-162.6	2.7	112.4	D739 D743 L746 S846 M850 A851 I852	D739-R848 IonicContact OD1-NH1 3.98Å; D739-R848 IonicContact OD1-NH2 2.97Å; D743-R848 PolarHBondContact O-N 2.93Å; L746-R848 HydrophobicContact CD1-CG 4.07Å; S846-R848 PolarHBondContact O-N 3.17Å; R848-M850 PolarHBondContact O-N 2.99Å; R848-A851 PolarHBondContact O-N 3.45Å; R848-I852 HydrophobicContact CG-CD1 3.93Å; R848-I852 WeakPolarHBondContact O-CD1 3.44Å; R848-I852 VanDerWaalsContact O-CG1 3.24Å; R848-I852 WeakPolarHBondContact O-CG1 3.38Å; R848-I852 PolarHBondContact O-N 3.09Å
849	R	73	Confident	65.8	Low	179 Å²	179	56.4 Å²	56.4	68%	0.675	29%	0.292	S	S	*	.	H	α-helix	trans	-67.6	-36.4	179.2	-62.3	-175.1	-149.3	174.5	5.8	112.7	S846 M847 S853	S846-R849 PolarHBondContact O-N 3.37Å; S846-R849 VanDerWaalsContact O-N 3.14Å; S846-R849 VanDerWaalsContact OG-CB 3.31Å; S846-R849 WeakPolarHBondContact OG-CB 3.38Å; S846-R849 WeakPolarHBondContact OG-CD 3.43Å; S846-R849 WeakPolarHBondContact OG-CG 3.47Å; S846-R849 PolarHBondContact OG-NE 3.36Å; M847-R849 VanDerWaalsContact C-N 3.33Å; M847-R849 PolarHBondContact O-N 3.3Å; R849-S853 WeakPolarHBondContact O-CB 3.24Å; R849-S853 PolarHBondContact O-N 2.9Å
850	M	72.9	Confident	65.1	Low	20 Å²	20	62.9 Å²	62.9	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-44.2	175.6	-78	-178.5	-63.1	0	0	110.9	F836 L837 F840 R845 S846 M847 R848 S853 C854	F836-M850 HydrophobicContact CE1-CB 3.91Å; L837-M850 HydrophobicContact CD2-CB 4.28Å; F840-M850 HydrophobicContact CD2-SD 4.22Å; F840-M850 HydrophobicContact CE2-SD 4.42Å; F840-M850 HydrophobicContact CG-SD 4.28Å; R845-M850 HydrophobicContact CB-CE 3.57Å; R845-M850 HydrophobicContact CB-SD 3.89Å; S846-M850 PolarHBondContact O-N 2.83Å; M847-M850 HydrophobicContact CG-CE 4Å; M847-M850 PolarHBondContact O-N 3.36Å; M847-M850 VanDerWaalsContact O-N 3.12Å; R848-M850 PolarHBondContact O-N 2.99Å; M850-S853 PolarHBondContact O-N 2.97Å; M850-C854 PolarHBondContact O-N 2.99Å
851	A	73.9	Confident	64.3	Low	1 Å²	1	66.2 Å²	66.2	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-44.7	175.9	0	0	0	0	0	112.5	L746 T833 L837 M847 R848 S853 C854 M855	L746-A851 HydrophobicContact CD1-CB 4.26Å; L746-A851 HydrophobicContact CD2-CB 3.57Å; L746-A851 HydrophobicContact CG-CB 4.5Å; T833-A851 HydrophobicContact CG2-CB 3.81Å; L837-A851 HydrophobicContact CD1-CB 3.98Å; L837-A851 HydrophobicContact CD2-CB 4.12Å; L837-A851 HydrophobicContact CG-CB 4.38Å; M847-A851 PolarHBondContact O-N 3.14Å; R848-A851 PolarHBondContact O-N 3.45Å; A851-S853 VanDerWaalsContact C-N 3.35Å; A851-S853 PolarHBondContact O-N 3.18Å; A851-C854 VanDerWaalsContact O-CB 3.24Å; A851-C854 WeakPolarHBondContact O-CB 3.34Å; A851-C854 PolarHBondContact O-N 3.04Å; A851-M855 PolarHBondContact O-N 2.79Å
852	I	75.6	Confident	64	Low	29 Å²	29	65.1 Å²	65.1	15%	0.149	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-44.3	175.9	-67.9	160.9	0	0	0	110.6	L746 R848 C854 M855 N856 L882 L888	L746-I852 HydrophobicContact CD1-CG1 4.14Å; R848-I852 HydrophobicContact CG-CD1 3.93Å; R848-I852 WeakPolarHBondContact O-CD1 3.44Å; R848-I852 VanDerWaalsContact O-CG1 3.24Å; R848-I852 WeakPolarHBondContact O-CG1 3.38Å; R848-I852 PolarHBondContact O-N 3.09Å; I852-C854 PolarHBondContact O-N 3.22Å; I852-M855 PolarHBondContact O-N 3.2Å; I852-N856 WeakPolarHBondContact O-CB 3.34Å; I852-N856 VanDerWaalsContact O-CG 3.31Å; I852-N856 PolarHBondContact O-N 2.96Å; I852-N856 PolarHBondContact O-OD1 2.85Å; I852-L882 HydrophobicContact CD1-CD2 4.11Å; I852-L888 HydrophobicContact CG1-CD1 3.98Å; I852-L888 HydrophobicContact CG1-CD2 4.42Å
853	S	74.2	Confident	63.6	Low	33 Å²	33	71.4 Å²	71.4	23%	0.231	38%	0.376	C	S	.	.	H	α-helix	trans	-59.7	-36	177.8	-170.6	0	0	0	0	112	R849 M850 A851 G857 T858 T859	R849-S853 WeakPolarHBondContact O-CB 3.24Å; R849-S853 PolarHBondContact O-N 2.9Å; M850-S853 PolarHBondContact O-N 2.97Å; A851-S853 VanDerWaalsContact C-N 3.35Å; A851-S853 PolarHBondContact O-N 3.18Å; S853-G857 PolarHBondContact O-N 3.28Å; S853-T858 PolarHBondContact O-N 3.33Å; S853-T858 PolarHBondContact O-OG1 3.45Å; S853-T859 VanDerWaalsContact OG-CG2 3.31Å; S853-T859 WeakPolarHBondContact OG-CG2 3.45Å
854	C	74.9	Confident	63.5	Low	7 Å²	7	67 Å²	67	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-56	175.9	-155.2	0	0	0	0	112	F836 M850 A851 I852 N856 G857 C871	F836-C854 HydrophobicContact CD1-CB 4.1Å; F836-C854 HydrophobicContact CE1-CB 4.33Å; M850-C854 PolarHBondContact O-N 2.99Å; A851-C854 VanDerWaalsContact O-CB 3.24Å; A851-C854 WeakPolarHBondContact O-CB 3.34Å; A851-C854 PolarHBondContact O-N 3.04Å; I852-C854 PolarHBondContact O-N 3.22Å; C854-N856 PolarHBondContact O-N 2.9Å; C854-G857 PolarHBondContact O-N 3.37Å; C854-C871 WeakPolarHBondContact CA-SG 3.32Å; C854-C871 HydrophobicContact CB-CB 4.36Å; C854-C871 WeakPolarHBondContact CB-SG 3.24Å; C854-C871 WeakPolarHBondContact SG-CA 3.4Å; C854-C871 WeakPolarHBondContact SG-CB 3.49Å; C854-C871 CovalentContact SG-SG 2.01Å; C854-C871 PolarHBondContact SG-SG 3.2Å
855	M	77.4	Confident	63.7	Low	4 Å²	4	67 Å²	67	2%	0.02	35%	0.353	C	S	.	.	H	α-helix	trans	-70.6	-16.3	-176.7	-65	-137.7	-62.3	0	0	113.7	I748 T833 A851 I852 P875 Y880 L888	I748-M855 HydrophobicContact CD1-CE 3.28Å; I748-M855 HydrophobicContact CD1-SD 3.99Å; I748-M855 HydrophobicContact CG1-CE 3.64Å; I748-M855 HydrophobicContact CG2-CE 4.3Å; T833-M855 HydrophobicContact CG2-CG 4.29Å; T833-M855 WeakPolarHBondContact OG1-CG 3.35Å; A851-M855 PolarHBondContact O-N 2.79Å; I852-M855 PolarHBondContact O-N 3.2Å; M855-P875 WeakPolarHBondContact O-CG 3.49Å; M855-Y880 HydrophobicContact CB-CD2 3.73Å; M855-Y880 HydrophobicContact CB-CE2 4.49Å; M855-Y880 HydrophobicContact CB-CG 3.94Å; M855-Y880 HydrophobicContact CE-CD1 3.65Å; M855-Y880 HydrophobicContact CE-CD2 4.24Å; M855-Y880 HydrophobicContact CE-CE1 4Å; M855-Y880 HydrophobicContact CE-CG 3.76Å; M855-Y880 HydrophobicContact CG-CD2 4.34Å; M855-Y880 PolarHBondContact O-N 2.87Å; M855-Y880 HydrophobicContact SD-CD1 4.18Å; M855-Y880 HydrophobicContact SD-CD2 3.89Å; M855-Y880 HydrophobicContact SD-CE1 4.14Å; M855-Y880 HydrophobicContact SD-CE2 3.86Å; M855-Y880 HydrophobicContact SD-CG 4.04Å; M855-L888 HydrophobicContact CE-CB 4.16Å; M855-L888 HydrophobicContact CE-CD1 3.66Å; M855-L888 HydrophobicContact CE-CG 4.38Å
856	N	70.9	Confident	63.7	Low	47 Å²	47	66.2 Å²	66.2	25%	0.251	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-14.7	169.8	-70.6	18.8	0	0	0	112.8	I852 C854 T858 Y880	I852-N856 WeakPolarHBondContact O-CB 3.34Å; I852-N856 VanDerWaalsContact O-CG 3.31Å; I852-N856 PolarHBondContact O-N 2.96Å; I852-N856 PolarHBondContact O-OD1 2.85Å; C854-N856 PolarHBondContact O-N 2.9Å; N856-T858 HydrophobicContact CB-CG2 4.12Å; N856-Y880 PolarHBondContact OD1-O 3.12Å
857	G	65	Low	63.2	Low	19 Å²	19	65.9 Å²	65.9	20%	0.196	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	36.4	-175	0	0	0	0	0	113.6	S853 C854	S853-G857 PolarHBondContact O-N 3.28Å; C854-G857 PolarHBondContact O-N 3.37Å
858	T	61.8	Low	62.9	Low	83 Å²	83	67.9 Å²	67.9	51%	0.509	36%	0.359	S	S	.	.			trans	-113.7	10	-171.1	51.6	0	0	0	0	114.7	S853 N856 K860	S853-T858 PolarHBondContact O-N 3.33Å; S853-T858 PolarHBondContact O-OG1 3.45Å; N856-T858 HydrophobicContact CB-CG2 4.12Å; T858-K860 PolarHBondContact O-N 3.16Å; T858-K860 VanDerWaalsContact O-N 3.11Å
859	T	53.2	Low	62.5	Low	31 Å²	31	71.2 Å²	71.2	19%	0.19	38%	0.377	C	S	.	.			trans	-65.7	109.2	179.1	28.3	0	0	0	0	111.5	F836 S853 S861 N872	F836-T859 HydrophobicContact CZ-CG2 4.43Å; S853-T859 VanDerWaalsContact OG-CG2 3.31Å; S853-T859 WeakPolarHBondContact OG-CG2 3.45Å; T859-S861 PolarHBondContact O-N 2.86Å; T859-N872 WeakPolarHBondContact CB-OD1 3.13Å; T859-N872 PolarHBondContact O-OD1 3.18Å; T859-N872 VanDerWaalsContact O-OD1 3.05Å; T859-N872 PolarHBondContact OG1-OD1 3.11Å
860	K	52	Low	61.9	Low	193 Å²	193	64 Å²	64	84%	0.839	35%	0.352	S	S	*	.			trans	-79.3	116.5	-176.7	-79.1	-175.5	176.5	-179.9	0	112.6	T858	T858-K860 PolarHBondContact O-N 3.16Å; T858-K860 VanDerWaalsContact O-N 3.11Å
861	S	48.1	Very low	61.6	Low	108 Å²	108	63.2 Å²	63.2	76%	0.755	35%	0.348	S	S	*	.			trans	37.3	95.5	134.5	65.8	0	0	0	0	117.8	T859	T859-S861 PolarHBondContact O-N 2.86Å
862	G	51.4	Low	61.2	Low	54 Å²	54	65.7 Å²	65.7	56%	0.557	36%	0.361	S	S	*	.	S	Bend	trans	-161.5	179.7	165.8	0	0	0	0	0	109.5	M864	G862-M864 VanDerWaalsContact C-N 3.3Å; G862-M864 WeakPolarHBondContact O-CG 3.49Å; G862-M864 PolarHBondContact O-N 2.89Å
863	N	47.7	Very low	60.8	Low	175 Å²	175	70.4 Å²	70.4	94%	0.936	38%	0.382	S	S	*	.	S	Bend	trans	-59.6	94.2	171.2	-85.4	-8.7	0	0	0	109.3	T865	N863-T865 PolarHBondContact O-N 2.73Å
864	M	50	Low	60.5	Low	74 Å²	74	76.5 Å²	76.5	37%	0.365	40%	0.404	S	S	.	.			trans	-73.2	129.4	-167	-82.8	155.7	56.8	0	0	111.2	G862 E868 E869 N872	G862-M864 VanDerWaalsContact C-N 3.3Å; G862-M864 WeakPolarHBondContact O-CG 3.49Å; G862-M864 PolarHBondContact O-N 2.89Å; M864-E868 VanDerWaalsContact CA-OE2 3.31Å; M864-E868 WeakPolarHBondContact CA-OE2 3.36Å; M864-E868 HydrophobicContact CB-CB 4.11Å; M864-E868 HydrophobicContact CG-CB 3.87Å; M864-E869 HydrophobicContact CE-CB 3.68Å; M864-E869 HydrophobicContact CE-CG 3.83Å; M864-N872 HydrophobicContact CE-CB 4.17Å; M864-N872 WeakPolarHBondContact CE-ND2 3.32Å; M864-N872 PolarHBondContact SD-ND2 3.25Å
865	T	56.3	Low	60.5	Low	76 Å²	76	76.6 Å²	76.6	47%	0.466	41%	0.405	S	S	.	.			trans	-69.8	153.2	159.7	52.2	0	0	0	0	109.5	N863 A867 E868 E869	N863-T865 PolarHBondContact O-N 2.73Å; T865-A867 PolarHBondContact O-N 3.5Å; T865-E868 PolarHBondContact N-OE2 2.95Å; T865-E868 WeakPolarHBondContact O-CA 3.47Å; T865-E868 WeakPolarHBondContact O-CB 3.07Å; T865-E868 PolarHBondContact O-N 2.73Å; T865-E868 PolarHBondContact OG1-OE2 3.11Å; T865-E868 VanDerWaalsContact OG1-OE2 3.08Å; T865-E869 PolarHBondContact O-N 3.09Å; T865-E869 VanDerWaalsContact O-N 3.12Å
866	Y	55.2	Low	60.2	Low	170 Å²	170	84.2 Å²	84.2	67%	0.667	44%	0.438	S	S	*	.	H	α-helix	trans	-49.9	-33.3	176.6	179.9	-104	0	0	0	112.9	E869 L870	Y866-E869 PolarHBondContact O-N 3.44Å; Y866-L870 PolarHBondContact O-N 2.87Å; Y866-L870 VanDerWaalsContact O-N 3.08Å
867	A	55.1	Low	60.1	Low	14 Å²	14	84 Å²	84	12%	0.116	44%	0.435	C	S	.	.	H	α-helix	trans	-64.5	-40.8	174.7	0	0	0	0	0	113.1	F836 S839 T865 E869 C871	F836-A867 HydrophobicContact CD2-CB 4.17Å; F836-A867 VanDerWaalsContact CD2-O 3.31Å; F836-A867 WeakPolarHBondContact CD2-O 3.34Å; S839-A867 VanDerWaalsContact OG-CB 3.29Å; S839-A867 WeakPolarHBondContact OG-CB 3.02Å; T865-A867 PolarHBondContact O-N 3.5Å; A867-E869 VanDerWaalsContact C-N 3.3Å; A867-C871 WeakPolarHBondContact O-CB 3.35Å; A867-C871 PolarHBondContact O-N 2.8Å
868	E	61.1	Low	60.5	Low	60 Å²	60	84.2 Å²	84.2	28%	0.28	44%	0.438	S	S	.	.	H	α-helix	trans	-70	-28.6	175.3	-70.7	166.4	144.5	0	0	111.9	F836 M864 T865 C871 N872	F836-E868 HydrophobicContact CE2-CG 3.82Å; M864-E868 VanDerWaalsContact CA-OE2 3.31Å; M864-E868 WeakPolarHBondContact CA-OE2 3.36Å; M864-E868 HydrophobicContact CB-CB 4.11Å; M864-E868 HydrophobicContact CG-CB 3.87Å; T865-E868 PolarHBondContact N-OE2 2.95Å; T865-E868 WeakPolarHBondContact O-CA 3.47Å; T865-E868 WeakPolarHBondContact O-CB 3.07Å; T865-E868 PolarHBondContact O-N 2.73Å; T865-E868 PolarHBondContact OG1-OE2 3.11Å; T865-E868 VanDerWaalsContact OG1-OE2 3.08Å; E868-C871 PolarHBondContact O-N 2.71Å; E868-N872 WeakPolarHBondContact O-CB 3.49Å; E868-N872 PolarHBondContact O-N 3.43Å
869	E	62.6	Low	61.4	Low	119 Å²	119	82.4 Å²	82.4	56%	0.556	43%	0.428	S	S	*	.	H	α-helix	trans	-69.8	-43.4	175.4	-160.4	168.8	-154.7	0	0	112.6	M864 T865 Y866 A867 C871 N872	M864-E869 HydrophobicContact CE-CB 3.68Å; M864-E869 HydrophobicContact CE-CG 3.83Å; T865-E869 PolarHBondContact O-N 3.09Å; T865-E869 VanDerWaalsContact O-N 3.12Å; Y866-E869 PolarHBondContact O-N 3.44Å; A867-E869 VanDerWaalsContact C-N 3.3Å; E869-C871 PolarHBondContact O-N 3.37Å; E869-N872 PolarHBondContact O-N 3.04Å
870	L	61	Low	62.9	Low	28 Å²	28	81 Å²	81	15%	0.147	42%	0.419	C	S	.	.	H	α-helix	trans	-58.5	-38.1	173.7	-155.8	78.2	0	0	0	111.8	L835 Y866	L835-L870 HydrophobicContact CB-CD2 4.17Å; L835-L870 HydrophobicContact CD1-CD2 3.89Å; Y866-L870 PolarHBondContact O-N 2.87Å; Y866-L870 VanDerWaalsContact O-N 3.08Å
871	C	66.6	Low	64.2	Low	2 Å²	2	76.3 Å²	76.3	1%	0.014	40%	0.396	C	S	.	.	H	α-helix	trans	-81.4	-19.6	-175.5	-169.4	0	0	0	0	113.8	F836 C854 A867 E868 E869 Q873	F836-C871 HydrophobicContact CB-CB 4.4Å; F836-C871 HydrophobicContact CD2-CB 3.77Å; F836-C871 HydrophobicContact CE2-CB 4.09Å; F836-C871 HydrophobicContact CG-CB 4.01Å; C854-C871 WeakPolarHBondContact CA-SG 3.32Å; C854-C871 HydrophobicContact CB-CB 4.36Å; C854-C871 WeakPolarHBondContact CB-SG 3.24Å; C854-C871 WeakPolarHBondContact SG-CA 3.4Å; C854-C871 WeakPolarHBondContact SG-CB 3.49Å; C854-C871 CovalentContact SG-SG 2.01Å; C854-C871 PolarHBondContact SG-SG 3.2Å; A867-C871 WeakPolarHBondContact O-CB 3.35Å; A867-C871 PolarHBondContact O-N 2.8Å; E868-C871 PolarHBondContact O-N 2.71Å; E869-C871 PolarHBondContact O-N 3.37Å; C871-Q873 VanDerWaalsContact C-N 3.3Å
872	N	65.4	Low	65.7	Low	54 Å²	54	75 Å²	75	29%	0.289	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-11	174.5	-89.7	-7.7	0	0	0	113.6	T859 M864 E868 E869 K874	T859-N872 WeakPolarHBondContact CB-OD1 3.13Å; T859-N872 PolarHBondContact O-OD1 3.18Å; T859-N872 VanDerWaalsContact O-OD1 3.05Å; T859-N872 PolarHBondContact OG1-OD1 3.11Å; M864-N872 HydrophobicContact CE-CB 4.17Å; M864-N872 WeakPolarHBondContact CE-ND2 3.32Å; M864-N872 PolarHBondContact SD-ND2 3.25Å; E868-N872 WeakPolarHBondContact O-CB 3.49Å; E868-N872 PolarHBondContact O-N 3.43Å; E869-N872 PolarHBondContact O-N 3.04Å; N872-K874 PolarHBondContact O-N 2.8Å
873	Q	66.8	Low	66.5	Low	128 Å²	128	75.2 Å²	75.2	60%	0.598	37%	0.369	S	S	*	.	S	Bend	trans	-70.8	122	170.2	-66.6	-170.9	-1.7	0	0	109.2	C871	C871-Q873 VanDerWaalsContact C-N 3.3Å
874	K	67.5	Low	67.4	Low	160 Å²	160	76 Å²	76	70%	0.696	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-64.2	138.5	174.5	-74.1	-175	178.6	-178.1	0	109.2	N872 F876	N872-K874 PolarHBondContact O-N 2.8Å; K874-F876 PolarHBondContact O-N 3.49Å
875	P	75.2	Confident	67.9	Low	10 Å²	10	74.9 Å²	74.9	7%	0.065	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-53.7	136.9	173.9	-24.9	32.6	0	0	0	111.5	M855 F877 G878 Y880	M855-P875 WeakPolarHBondContact O-CG 3.49Å; P875-F877 VanDerWaalsContact C-N 3.35Å; P875-F877 PolarHBondContact O-N 2.88Å; P875-G878 WeakPolarHBondContact CB-O 3.39Å; P875-G878 PolarHBondContact O-N 3.34Å; P875-Y880 HydrophobicContact CB-CD2 4.37Å; P875-Y880 HydrophobicContact CB-CE2 4.06Å; P875-Y880 HydrophobicContact CG-CD2 3.97Å; P875-Y880 HydrophobicContact CG-CE2 4.04Å
876	F	72.1	Confident	68.5	Low	163 Å²	163	71.7 Å²	71.7	72%	0.715	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-40	-169.3	-174.7	-93.9	0	0	0	113.4	A825 K874	A825-F876 HydrophobicContact CB-CB 4.2Å; K874-F876 PolarHBondContact O-N 3.49Å
877	F	68.7	Low	69.4	Low	43 Å²	43	64 Å²	64	19%	0.189	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	9.7	-177.1	-72.2	-75.4	0	0	0	114.6	E821 L822 A825 P875	E821-F877 HydrophobicContact CB-CZ 4.09Å; E821-F877 WeakPolarHBondContact O-CE2 3.48Å; L822-F877 VanDerWaalsContact CA-CE2 3.43Å; L822-F877 HydrophobicContact CB-CD2 4.49Å; L822-F877 HydrophobicContact CB-CE2 4.17Å; L822-F877 HydrophobicContact CB-CZ 4.39Å; L822-F877 HydrophobicContact CD1-CB 3.9Å; L822-F877 HydrophobicContact CD1-CD1 4.1Å; L822-F877 HydrophobicContact CD1-CD2 3.5Å; L822-F877 HydrophobicContact CD1-CE2 4.03Å; L822-F877 HydrophobicContact CD1-CG 3.55Å; A825-F877 HydrophobicContact CB-CD2 3.54Å; A825-F877 HydrophobicContact CB-CE2 3.53Å; P875-F877 VanDerWaalsContact C-N 3.35Å; P875-F877 PolarHBondContact O-N 2.88Å
878	G	73.3	Confident	70.7	Confident	24 Å²	24	63.3 Å²	63.3	25%	0.247	31%	0.313	C	S	.	.			trans	114.2	157.7	-179.2	0	0	0	0	0	113	P875 Q890	P875-G878 WeakPolarHBondContact CB-O 3.39Å; P875-G878 PolarHBondContact O-N 3.34Å; G878-Q890 VanDerWaalsContact O-CG 3.26Å; G878-Q890 WeakPolarHBondContact O-CG 3.49Å; G878-Q890 PolarHBondContact O-NE2 3.33Å
879	S	80.9	Confident	71.8	Confident	44 Å²	44	61 Å²	61	31%	0.308	30%	0.302	S	S	.	.			trans	-66.8	150.1	-174.8	-60.9	0	0	0	0	112.2	D891	S879-D891 PolarHBondContact O-N 2.86Å
880	Y	84.3	Confident	72.7	Confident	1 Å²	1	55.4 Å²	55.4	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	149.3	169.7	-67.7	-104.7	0	0	0	110.2	I748 F826 D829 M855 N856 P875 L888 K889 Q890	I748-Y880 HydrophobicContact CG2-CD1 4.38Å; I748-Y880 HydrophobicContact CG2-CE1 3.96Å; F826-Y880 HydrophobicContact CD2-CE1 4.36Å; F826-Y880 WeakPolarHBondContact CD2-OH 3.47Å; F826-Y880 HydrophobicContact CE2-CE1 4.17Å; D829-Y880 HydrophobicContact CB-CE2 4.15Å; D829-Y880 PolarHBondContact OD2-OH 3.2Å; M855-Y880 HydrophobicContact CB-CD2 3.73Å; M855-Y880 HydrophobicContact CB-CE2 4.49Å; M855-Y880 HydrophobicContact CB-CG 3.94Å; M855-Y880 HydrophobicContact CE-CD1 3.65Å; M855-Y880 HydrophobicContact CE-CD2 4.24Å; M855-Y880 HydrophobicContact CE-CE1 4Å; M855-Y880 HydrophobicContact CE-CG 3.76Å; M855-Y880 HydrophobicContact CG-CD2 4.34Å; M855-Y880 PolarHBondContact O-N 2.87Å; M855-Y880 HydrophobicContact SD-CD1 4.18Å; M855-Y880 HydrophobicContact SD-CD2 3.89Å; M855-Y880 HydrophobicContact SD-CE1 4.14Å; M855-Y880 HydrophobicContact SD-CE2 3.86Å; M855-Y880 HydrophobicContact SD-CG 4.04Å; N856-Y880 PolarHBondContact OD1-O 3.12Å; P875-Y880 HydrophobicContact CB-CD2 4.37Å; P875-Y880 HydrophobicContact CB-CE2 4.06Å; P875-Y880 HydrophobicContact CG-CD2 3.97Å; P875-Y880 HydrophobicContact CG-CE2 4.04Å; Y880-L888 HydrophobicContact CD1-CB 4.45Å; Y880-K889 CarbonylContact C-O 3.52Å; Y880-K889 WeakPolarHBondContact CA-O 3.15Å; Y880-Q890 HydrophobicContact CD1-CB 4Å; Y880-Q890 HydrophobicContact CD2-CG 4.39Å; Y880-Q890 HydrophobicContact CE1-CB 3.86Å; Y880-Q890 HydrophobicContact CE1-CG 4.36Å; Y880-Q890 HydrophobicContact CE2-CG 4.19Å; Y880-Q890 HydrophobicContact CG-CB 4.44Å
881	R	78.9	Confident	73.5	Confident	95 Å²	95	55.1 Å²	55.1	36%	0.358	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.5	173.5	-62.4	-164.9	-164.5	-159.5	9	109.7	L888 K889 D891 E917	R881-L888 WeakPolarHBondContact O-CA 3.27Å; R881-K889 PolarHBondContact N-O 3.48Å; R881-K889 PolarHBondContact O-N 3.38Å; R881-D891 HydrophobicContact CG-CB 4.36Å; R881-D891 IonicContact CZ-OD2 3.76Å; R881-D891 IonicContact NE-OD2 3.88Å; R881-D891 PolarHBondContact NE-OD2 3.15Å; R881-D891 IonicContact NH2-OD2 3.08Å; R881-D891 PolarHBondContact NH2-OD2 3.45Å; R881-E917 IonicContact CZ-OE2 3.77Å; R881-E917 VanDerWaalsContact CZ-OE2 3.24Å; R881-E917 VanDerWaalsContact NH1-CD 3.32Å; R881-E917 IonicContact NH1-OE1 3.98Å; R881-E917 IonicContact NH1-OE2 3.6Å; R881-E917 PolarHBondContact NH1-OE2 2.87Å; R881-E917 IonicContact NH2-OE2 2.65Å; R881-E917 PolarHBondContact NH2-OE2 3.47Å
882	L	78.9	Confident	73.7	Confident	80 Å²	80	55.5 Å²	55.5	42%	0.419	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.2	176.7	-174.8	72.2	0	0	0	108.9	I852 G886 L888	I852-L882 HydrophobicContact CD1-CD2 4.11Å; L882-G886 WeakPolarHBondContact CD1-O 3.13Å; L882-L888 HydrophobicContact CB-CD2 4.01Å; L882-L888 HydrophobicContact CD1-CD2 4.29Å; L882-L888 HydrophobicContact CD1-CG 3.96Å
883	L	69.9	Low	73.8	Confident	59 Å²	59	57 Å²	57	31%	0.309	28%	0.284	S	S	.	.			trans	-86.7	165.1	173.9	-72.9	172.1	0	0	0	112	S885 G886 T887 K889	L883-S885 PolarHBondContact O-N 3.25Å; L883-S885 VanDerWaalsContact O-N 3.08Å; L883-G886 PolarHBondContact O-N 3.39Å; L883-T887 PolarHBondContact N-O 2.95Å; L883-K889 HydrophobicContact CD1-CB 4.48Å; L883-K889 HydrophobicContact CD1-CD 3.36Å; L883-K889 HydrophobicContact CD1-CG 3.79Å
884	Q	65.9	Low	73.6	Confident	193 Å²	193	52.2 Å²	52.2	90%	0.902	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-24.3	176.5	-67.6	-177.2	-7.2	0	0	113.5	G886	Q884-G886 PolarHBondContact O-N 3.08Å
885	S	60.8	Low	73.1	Confident	50 Å²	50	51.3 Å²	51.3	35%	0.35	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	1	175	58.8	0	0	0	0	114.1	L883 T887	L883-S885 PolarHBondContact O-N 3.25Å; L883-S885 VanDerWaalsContact O-N 3.08Å; S885-T887 PolarHBondContact O-N 3.15Å; S885-T887 PolarHBondContact OG-OG1 2.97Å
886	G	68.4	Low	72.2	Confident	8 Å²	8	52.3 Å²	52.3	8%	0.082	26%	0.259	C	S	.	.	S	Bend	trans	76.2	6.2	-175.5	0	0	0	0	0	114.5	L882 L883 Q884	L882-G886 WeakPolarHBondContact CD1-O 3.13Å; L883-G886 PolarHBondContact O-N 3.39Å; Q884-G886 PolarHBondContact O-N 3.08Å
887	T	75.1	Confident	71.2	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.9	179.2	-50.1	0	0	0	0	111.1	L747 Q749 L883 S885	L747-T887 HydrophobicContact CD2-CG2 4.33Å; L747-T887 WeakPolarHBondContact CD2-OG1 3.46Å; L747-T887 HydrophobicContact CG-CG2 4.32Å; Q749-T887 HydrophobicContact CB-CG2 3.76Å; L883-T887 PolarHBondContact N-O 2.95Å; S885-T887 PolarHBondContact O-N 3.15Å; S885-T887 PolarHBondContact OG-OG1 2.97Å
888	L	81.9	Confident	70.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.8	170.1	-78.1	154.6	0	0	0	110.5	L746 L747 I748 Q749 I852 M855 Y880 R881 L882	L746-L888 HydrophobicContact CD1-CD1 3.4Å; L746-L888 HydrophobicContact CD2-CD1 4.24Å; L746-L888 HydrophobicContact CG-CD1 3.9Å; L747-L888 PolarHBondContact O-N 2.99Å; I748-L888 HydrophobicContact CG1-CB 4.21Å; I748-L888 HydrophobicContact CG1-CD1 4.28Å; Q749-L888 PolarHBondContact N-O 3.36Å; I852-L888 HydrophobicContact CG1-CD1 3.98Å; I852-L888 HydrophobicContact CG1-CD2 4.42Å; M855-L888 HydrophobicContact CE-CB 4.16Å; M855-L888 HydrophobicContact CE-CD1 3.66Å; M855-L888 HydrophobicContact CE-CG 4.38Å; Y880-L888 HydrophobicContact CD1-CB 4.45Å; R881-L888 WeakPolarHBondContact O-CA 3.27Å; L882-L888 HydrophobicContact CB-CD2 4.01Å; L882-L888 HydrophobicContact CD1-CD2 4.29Å; L882-L888 HydrophobicContact CD1-CG 3.96Å
889	K	83.6	Confident	69.1	Low	13 Å²	13	51.6 Å²	51.6	6%	0.057	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.2	171.4	-63.5	-168.9	-169	155.4	0	109.4	E732 Q749 T754 Y880 R881 L883 L916	E732-K889 IonicContact OE1-NZ 3.83Å; E732-K889 PolarHBondContact OE1-NZ 3.08Å; Q749-K889 HydrophobicContact CB-CG 4.08Å; T754-K889 HydrophobicContact CG2-CB 4.47Å; T754-K889 HydrophobicContact CG2-CD 4.4Å; Y880-K889 CarbonylContact C-O 3.52Å; Y880-K889 WeakPolarHBondContact CA-O 3.15Å; R881-K889 PolarHBondContact N-O 3.48Å; R881-K889 PolarHBondContact O-N 3.38Å; L883-K889 HydrophobicContact CD1-CB 4.48Å; L883-K889 HydrophobicContact CD1-CD 3.36Å; L883-K889 HydrophobicContact CD1-CG 3.79Å; K889-L916 HydrophobicContact CB-CD2 4.08Å
890	Q	82.7	Confident	67.4	Low	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.1	172.9	-163.3	166.5	23.6	0	0	110	P751 G878 Y880 I892	P751-Q890 HydrophobicContact CB-CB 4.38Å; G878-Q890 VanDerWaalsContact O-CG 3.26Å; G878-Q890 WeakPolarHBondContact O-CG 3.49Å; G878-Q890 PolarHBondContact O-NE2 3.33Å; Y880-Q890 HydrophobicContact CD1-CB 4Å; Y880-Q890 HydrophobicContact CD2-CG 4.39Å; Y880-Q890 HydrophobicContact CE1-CB 3.86Å; Y880-Q890 HydrophobicContact CE1-CG 4.36Å; Y880-Q890 HydrophobicContact CE2-CG 4.19Å; Y880-Q890 HydrophobicContact CG-CB 4.44Å; Q890-I892 HydrophobicContact CB-CG1 4.2Å; Q890-I892 HydrophobicContact CG-CG1 4.08Å; Q890-I892 PolarHBondContact O-N 2.98Å
891	D	77.6	Confident	65.4	Low	22 Å²	22	54.9 Å²	54.9	12%	0.118	27%	0.269	C	S	.	.			trans	-85.7	97.1	174.7	-175.5	14.1	0	0	0	109.3	S879 R881 L916	S879-D891 PolarHBondContact O-N 2.86Å; R881-D891 HydrophobicContact CG-CB 4.36Å; R881-D891 IonicContact CZ-OD2 3.76Å; R881-D891 IonicContact NE-OD2 3.88Å; R881-D891 PolarHBondContact NE-OD2 3.15Å; R881-D891 IonicContact NH2-OD2 3.08Å; R881-D891 PolarHBondContact NH2-OD2 3.45Å; D891-L916 HydrophobicContact CB-CB 4.16Å; D891-L916 HydrophobicContact CB-CD2 4.5Å; D891-L916 WeakPolarHBondContact OD1-CB 3.15Å; D891-L916 PolarHBondContact OD1-N 2.68Å
892	I	70.8	Confident	63.8	Low	10 Å²	10	55.3 Å²	55.3	5%	0.051	28%	0.282	C	S	.	.			trans	-98.7	124.1	-174.2	-53.5	165.6	0	0	0	108.5	P751 M755 L822 Q890 L894	P751-I892 HydrophobicContact CB-CD1 3.4Å; P751-I892 HydrophobicContact CB-CG1 4.46Å; M755-I892 HydrophobicContact CG-CD1 4.03Å; M755-I892 HydrophobicContact SD-CD1 4.28Å; L822-I892 HydrophobicContact CD1-CD1 4.29Å; Q890-I892 HydrophobicContact CB-CG1 4.2Å; Q890-I892 HydrophobicContact CG-CG1 4.08Å; Q890-I892 PolarHBondContact O-N 2.98Å; I892-L894 HydrophobicContact CG2-CD2 3.93Å; I892-L894 HydrophobicContact CG2-CG 4.43Å; I892-L894 PolarHBondContact O-N 3.42Å
893	L	66.7	Low	62	Low	86 Å²	86	59.4 Å²	59.4	45%	0.45	30%	0.299	S	S	.	.			trans	-74	107.7	171.2	178.8	68.3	0	0	0	109.6	N913 T915	L893-N913 HydrophobicContact CD1-CB 3.99Å; L893-T915 HydrophobicContact CD1-CG2 3.56Å
894	L	62.3	Low	60.6	Low	28 Å²	28	64.7 Å²	64.7	15%	0.147	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.8	173	-60.2	176.1	0	0	0	109.6	M755 F758 I892 N913 W914	M755-L894 HydrophobicContact CE-CD2 3.86Å; M755-L894 HydrophobicContact CG-CD1 4.49Å; F758-L894 HydrophobicContact CB-CD1 4.3Å; F758-L894 HydrophobicContact CD1-CD1 3.23Å; F758-L894 HydrophobicContact CE1-CB 4.47Å; F758-L894 HydrophobicContact CE1-CD1 3.54Å; F758-L894 HydrophobicContact CG-CD1 3.82Å; F758-L894 HydrophobicContact CZ-CD1 4.35Å; I892-L894 HydrophobicContact CG2-CD2 3.93Å; I892-L894 HydrophobicContact CG2-CG 4.43Å; I892-L894 PolarHBondContact O-N 3.42Å; L894-N913 CarbonylContact O-C 3.38Å; L894-N913 WeakPolarHBondContact O-CA 3.47Å; L894-W914 HydrophobicContact CB-CB 4.22Å; L894-W914 HydrophobicContact CB-CE3 4.13Å; L894-W914 HydrophobicContact CD1-CD2 4.27Å; L894-W914 HydrophobicContact CD1-CE3 3.47Å; L894-W914 VanDerWaalsContact CD1-CE3 3.47Å; L894-W914 HydrophobicContact CD1-CZ3 3.83Å; L894-W914 HydrophobicContact CG-CE3 3.75Å; L894-W914 HydrophobicContact CG-CZ3 4.23Å; L894-W914 PolarHBondContact N-O 2.75Å; L894-W914 PolarHBondContact O-N 3.25Å
895	R	56.4	Low	59.3	Low	140 Å²	140	56.6 Å²	56.6	53%	0.528	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.1	177.2	-71.6	-172.1	-174.8	173.5	3	108.9	Y897 L910	R895-Y897 HydrophobicContact CB-CD2 4.38Å; R895-Y897 HydrophobicContact CB-CE2 3.59Å; R895-Y897 WeakPolarHBondContact CD-OH 3.35Å; R895-Y897 WeakPolarHBondContact O-CD2 3.34Å; R895-L910 HydrophobicContact CB-CD1 3.59Å; R895-L910 HydrophobicContact CG-CD1 4.04Å
896	I	56.9	Low	58.3	Low	32 Å²	32	59.3 Å²	59.3	16%	0.164	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.3	-177.4	-56.3	168.1	0	0	0	107.7	F758 L762 V911 A912 I920	F758-I896 HydrophobicContact CE2-CD1 4.48Å; F758-I896 HydrophobicContact CZ-CD1 3.93Å; F758-I896 HydrophobicContact CZ-CG1 4.25Å; L762-I896 HydrophobicContact CD2-CD1 4.47Å; I896-V911 HydrophobicContact CG2-CG2 4.14Å; I896-V911 VanDerWaalsContact O-CG2 3.25Å; I896-V911 WeakPolarHBondContact O-CG2 3.32Å; I896-V911 PolarHBondContact O-N 3.49Å; I896-A912 HydrophobicContact CB-CB 4.11Å; I896-A912 WeakPolarHBondContact CB-O 3.36Å; I896-A912 HydrophobicContact CD1-CB 3.91Å; I896-A912 HydrophobicContact CG1-CB 4.47Å; I896-A912 PolarHBondContact N-O 3.39Å; I896-A912 PolarHBondContact O-N 2.79Å; I896-I920 HydrophobicContact CD1-CD1 4.4Å; I896-I920 HydrophobicContact CD1-CG1 4.33Å; I896-I920 HydrophobicContact CD1-CG2 3.97Å
897	Y	50.5	Low	56.9	Low	90 Å²	90	60 Å²	60	35%	0.353	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.3	177.7	-61.3	-94.3	0	0	0	110.3	R895 M908 F909 L910	R895-Y897 HydrophobicContact CB-CD2 4.38Å; R895-Y897 HydrophobicContact CB-CE2 3.59Å; R895-Y897 WeakPolarHBondContact CD-OH 3.35Å; R895-Y897 WeakPolarHBondContact O-CD2 3.34Å; Y897-M908 HydrophobicContact CD1-CB 4.46Å; Y897-F909 CarbonylContact C-O 3.33Å; Y897-F909 WeakPolarHBondContact CA-O 2.99Å; Y897-L910 HydrophobicContact CD1-CB 3.93Å; Y897-L910 HydrophobicContact CD1-CD1 4.28Å; Y897-L910 HydrophobicContact CE1-CB 3.73Å; Y897-L910 HydrophobicContact CE1-CD1 3.95Å; Y897-L910 HydrophobicContact CE1-CG 4.41Å; Y897-L910 HydrophobicContact CE2-CD1 4.27Å
898	R	50.4	Low	55.5	Low	105 Å²	105	65.8 Å²	65.8	40%	0.396	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.9	166.1	-178.9	-179.7	-177.4	174.1	4.7	108.1	I900 M908 F909 V911	R898-I900 HydrophobicContact CG-CD1 4.47Å; R898-I900 HydrophobicContact CG-CG1 3.99Å; R898-M908 CarbonylContact O-C 3.47Å; R898-M908 WeakPolarHBondContact O-CA 3.37Å; R898-F909 PolarHBondContact N-O 3.31Å; R898-F909 PolarHBondContact O-N 3.47Å; R898-V911 HydrophobicContact CB-CG1 4.03Å; R898-V911 HydrophobicContact CB-CG2 4Å
899	V	47.6	Very low	53.9	Low	19 Å²	19	69 Å²	69	12%	0.115	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.8	173.6	-165.6	0	0	0	0	108.9	D784 M906 D907 M908	D784-V899 WeakPolarHBondContact O-CB 3.4Å; D784-V899 PolarHBondContact O-N 2.85Å; V899-M906 HydrophobicContact CB-CE 4.45Å; V899-M906 HydrophobicContact CG1-CB 3.66Å; V899-M906 HydrophobicContact CG1-CE 3.63Å; V899-M906 HydrophobicContact CG1-CG 4.18Å; V899-M906 HydrophobicContact CG1-SD 3.64Å; V899-D907 CarbonylContact C-O 3.57Å; V899-D907 WeakPolarHBondContact CA-O 3.4Å; V899-M908 HydrophobicContact CG1-CG 4.32Å; V899-M908 HydrophobicContact CG2-CG 4.03Å; V899-M908 HydrophobicContact CG2-SD 4.45Å
900	I	45	Very low	52.3	Low	74 Å²	74	69.4 Å²	69.4	38%	0.379	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.8	176.3	-56.8	178.7	0	0	0	107	R898 D907 F909	R898-I900 HydrophobicContact CG-CD1 4.47Å; R898-I900 HydrophobicContact CG-CG1 3.99Å; I900-D907 PolarHBondContact N-O 2.88Å; I900-D907 PolarHBondContact O-N 3.47Å; I900-F909 HydrophobicContact CB-CE2 4.38Å; I900-F909 HydrophobicContact CD1-CD2 4.05Å; I900-F909 HydrophobicContact CD1-CE2 3.99Å; I900-F909 HydrophobicContact CG1-CD2 4.31Å; I900-F909 HydrophobicContact CG1-CE2 4.33Å
901	G	42.2	Very low	50.9	Low	41 Å²	41	70.8 Å²	70.8	42%	0.423	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	173.7	-175.4	0	0	0	0	0	117.1	N905	G901-N905 CarbonylContact C-O 3.53Å; G901-N905 WeakPolarHBondContact CA-O 3.38Å
902	T	45.4	Very low	49.8	Very low	103 Å²	103	70 Å²	70	63%	0.632	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	171.1	169.4	55.9	0	0	0	0	109	Q904 N905	T902-Q904 PolarHBondContact O-N 3.17Å; T902-N905 PolarHBondContact N-O 3.36Å; T902-N905 CarbonylContact O-C 3.41Å; T902-N905 PolarHBondContact O-N 3.43Å; T902-N905 VanDerWaalsContact O-O 3.04Å
903	E	42.8	Very low	49.4	Very low	166 Å²	166	70.8 Å²	70.8	78%	0.776	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-20.4	180	-74.2	-171.7	161.6	0	0	115
904	Q	40.7	Very low	49.2	Very low	170 Å²	170	67.4 Å²	67.4	79%	0.794	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-18.8	-179.5	-62	-170.7	3.1	0	0	115.7	T902	T902-Q904 PolarHBondContact O-N 3.17Å
905	N	37.7	Very low	49.6	Very low	24 Å²	24	67.2 Å²	67.2	13%	0.128	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	118	-176.8	-100.4	8.7	0	0	0	109	F494 L496 G901 T902	F494-N905 PolarHBondContact O-OD1 2.95Å; L496-N905 WeakPolarHBondContact CA-ND2 3.49Å; L496-N905 PolarHBondContact N-ND2 3.2Å; G901-N905 CarbonylContact C-O 3.53Å; G901-N905 WeakPolarHBondContact CA-O 3.38Å; T902-N905 PolarHBondContact N-O 3.36Å; T902-N905 CarbonylContact O-C 3.41Å; T902-N905 PolarHBondContact O-N 3.43Å; T902-N905 VanDerWaalsContact O-O 3.04Å
906	M	39.8	Very low	50.2	Low	107 Å²	107	63 Å²	63	53%	0.527	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	101.6	-176	-71.7	-79.2	-100.4	0	0	108.4	V899	V899-M906 HydrophobicContact CB-CE 4.45Å; V899-M906 HydrophobicContact CG1-CB 3.66Å; V899-M906 HydrophobicContact CG1-CE 3.63Å; V899-M906 HydrophobicContact CG1-CG 4.18Å; V899-M906 HydrophobicContact CG1-SD 3.64Å
907	D	39.9	Very low	50.9	Low	23 Å²	23	67.3 Å²	67.3	12%	0.123	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	140.7	175.5	-64.9	-81.6	0	0	0	109.4	D495 V899 I900 F909	D495-D907 VanDerWaalsContact OD1-CG 3.22Å; V899-D907 CarbonylContact C-O 3.57Å; V899-D907 WeakPolarHBondContact CA-O 3.4Å; I900-D907 PolarHBondContact N-O 2.88Å; I900-D907 PolarHBondContact O-N 3.47Å; D907-F909 HydrophobicContact CB-CE2 3.66Å; D907-F909 HydrophobicContact CB-CZ 3.99Å
908	M	45.1	Very low	51.8	Low	129 Å²	129	68.1 Å²	68.1	64%	0.635	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.5	179.5	-61.9	-165	-63.8	0	0	112.6	Y897 R898 V899	Y897-M908 HydrophobicContact CD1-CB 4.46Å; R898-M908 CarbonylContact O-C 3.47Å; R898-M908 WeakPolarHBondContact O-CA 3.37Å; V899-M908 HydrophobicContact CG1-CG 4.32Å; V899-M908 HydrophobicContact CG2-CG 4.03Å; V899-M908 HydrophobicContact CG2-SD 4.45Å
909	F	47.7	Very low	52.7	Low	67 Å²	67	64.3 Å²	64.3	29%	0.294	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.1	-179.7	-59.5	-84.4	0	0	0	111.7	Y897 R898 I900 D907 V911	Y897-F909 CarbonylContact C-O 3.33Å; Y897-F909 WeakPolarHBondContact CA-O 2.99Å; R898-F909 PolarHBondContact N-O 3.31Å; R898-F909 PolarHBondContact O-N 3.47Å; I900-F909 HydrophobicContact CB-CE2 4.38Å; I900-F909 HydrophobicContact CD1-CD2 4.05Å; I900-F909 HydrophobicContact CD1-CE2 3.99Å; I900-F909 HydrophobicContact CG1-CD2 4.31Å; I900-F909 HydrophobicContact CG1-CE2 4.33Å; D907-F909 HydrophobicContact CB-CE2 3.66Å; D907-F909 HydrophobicContact CB-CZ 3.99Å; F909-V911 PolarHBondContact O-N 3.4Å; F909-V911 VanDerWaalsContact O-N 3.13Å
910	L	50.9	Low	53.4	Low	21 Å²	21	64.7 Å²	64.7	11%	0.11	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	108.4	174.6	-179.2	68.1	0	0	0	110.1	R895 Y897 F923	R895-L910 HydrophobicContact CB-CD1 3.59Å; R895-L910 HydrophobicContact CG-CD1 4.04Å; Y897-L910 HydrophobicContact CD1-CB 3.93Å; Y897-L910 HydrophobicContact CD1-CD1 4.28Å; Y897-L910 HydrophobicContact CE1-CB 3.73Å; Y897-L910 HydrophobicContact CE1-CD1 3.95Å; Y897-L910 HydrophobicContact CE1-CG 4.41Å; Y897-L910 HydrophobicContact CE2-CD1 4.27Å; L910-F923 HydrophobicContact CD2-CE2 4.41Å; L910-F923 HydrophobicContact CG-CE2 4.34Å
911	V	53.3	Low	54.3	Low	29 Å²	29	63.7 Å²	63.7	18%	0.176	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-29.1	-175.8	-87.6	0	0	0	0	113.3	I896 R898 F909 F923 Y924	I896-V911 HydrophobicContact CG2-CG2 4.14Å; I896-V911 VanDerWaalsContact O-CG2 3.25Å; I896-V911 WeakPolarHBondContact O-CG2 3.32Å; I896-V911 PolarHBondContact O-N 3.49Å; R898-V911 HydrophobicContact CB-CG1 4.03Å; R898-V911 HydrophobicContact CB-CG2 4Å; F909-V911 PolarHBondContact O-N 3.4Å; F909-V911 VanDerWaalsContact O-N 3.13Å; V911-F923 WeakPolarHBondContact O-CD2 3.24Å; V911-F923 PolarHBondContact O-N 3.13Å; V911-Y924 HydrophobicContact CG1-CD2 4.49Å
912	A	54.7	Low	55.3	Low	5 Å²	5	67 Å²	67	4%	0.041	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	159.6	-179.1	0	0	0	0	0	112.5	I896 I920 T921 Q922	I896-A912 HydrophobicContact CB-CB 4.11Å; I896-A912 WeakPolarHBondContact CB-O 3.36Å; I896-A912 HydrophobicContact CD1-CB 3.91Å; I896-A912 HydrophobicContact CG1-CB 4.47Å; I896-A912 PolarHBondContact N-O 3.39Å; I896-A912 PolarHBondContact O-N 2.79Å; A912-I920 HydrophobicContact CB-CG2 3.74Å; A912-T921 CarbonylContact C-O 3.57Å; A912-T921 VanDerWaalsContact CA-O 3.23Å; A912-T921 WeakPolarHBondContact CA-O 3.19Å; A912-T921 WeakPolarHBondContact CB-O 3.35Å; A912-Q922 HydrophobicContact CB-CG 4.2Å
913	N	62.7	Low	56	Low	27 Å²	27	65 Å²	65	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.7	168.4	-73.3	-9.5	0	0	0	109.7	L893 L894 T921 F923	L893-N913 HydrophobicContact CD1-CB 3.99Å; L894-N913 CarbonylContact O-C 3.38Å; L894-N913 WeakPolarHBondContact O-CA 3.47Å; N913-T921 PolarHBondContact N-O 2.86Å; N913-T921 PolarHBondContact O-N 3.4Å; N913-T921 PolarHBondContact O-OG1 3.48Å; N913-F923 HydrophobicContact CB-CE2 4.21Å; N913-F923 HydrophobicContact CB-CZ 3.9Å; N913-F923 WeakPolarHBondContact ND2-CZ 3.43Å
914	W	62.3	Low	56.5	Low	15 Å²	15	58.8 Å²	58.8	6%	0.057	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.9	168.5	178	91.3	0	0	0	111.5	T754 F758 L894 L916 G919 I920	T754-W914 HydrophobicContact CG2-CH2 4.32Å; F758-W914 HydrophobicContact CB-CD2 4.11Å; F758-W914 HydrophobicContact CB-CE3 4.34Å; F758-W914 HydrophobicContact CB-CH2 3.92Å; F758-W914 HydrophobicContact CB-CZ2 3.68Å; F758-W914 HydrophobicContact CB-CZ3 4.25Å; F758-W914 HydrophobicContact CD2-CB 4Å; F758-W914 AromaticContact CD2-CD1 3.17Å; F758-W914 AromaticContact CD2-CD2 3.39Å; F758-W914 HydrophobicContact CD2-CD2 3.39Å; F758-W914 AromaticContact CD2-CE2 3.39Å; F758-W914 HydrophobicContact CD2-CE3 4.24Å; F758-W914 AromaticContact CD2-CG 3.25Å; F758-W914 HydrophobicContact CD2-CG 3.25Å; F758-W914 HydrophobicContact CD2-CZ2 4.19Å; F758-W914 AromaticContact CD2-NE1 3.24Å; F758-W914 HydrophobicContact CE2-CB 3.42Å; F758-W914 VanDerWaalsContact CE2-CB 3.42Å; F758-W914 AromaticContact CE2-CD1 3.23Å; F758-W914 AromaticContact CE2-CD2 3.83Å; F758-W914 HydrophobicContact CE2-CD2 3.83Å; F758-W914 AromaticContact CE2-CG 3.19Å; F758-W914 HydrophobicContact CE2-CG 3.19Å; F758-W914 AromaticContact CE2-NE1 3.84Å; F758-W914 AromaticContact CG-CD2 3.77Å; F758-W914 HydrophobicContact CG-CD2 3.77Å; F758-W914 AromaticContact CG-CE2 3.82Å; F758-W914 HydrophobicContact CG-CE3 4.18Å; F758-W914 HydrophobicContact CG-CG 4.06Å; F758-W914 HydrophobicContact CG-CZ2 4.25Å; F758-W914 HydrophobicContact CZ-CB 3.77Å; F758-W914 AromaticContact CZ-CG 3.97Å; F758-W914 HydrophobicContact CZ-CG 3.97Å; L894-W914 HydrophobicContact CB-CB 4.22Å; L894-W914 HydrophobicContact CB-CE3 4.13Å; L894-W914 HydrophobicContact CD1-CD2 4.27Å; L894-W914 HydrophobicContact CD1-CE3 3.47Å; L894-W914 VanDerWaalsContact CD1-CE3 3.47Å; L894-W914 HydrophobicContact CD1-CZ3 3.83Å; L894-W914 HydrophobicContact CG-CE3 3.75Å; L894-W914 HydrophobicContact CG-CZ3 4.23Å; L894-W914 PolarHBondContact N-O 2.75Å; L894-W914 PolarHBondContact O-N 3.25Å; W914-L916 HydrophobicContact CH2-CB 4.43Å; W914-L916 HydrophobicContact CH2-CD1 4.22Å; W914-L916 HydrophobicContact CZ2-CD1 4.43Å; W914-G919 WeakPolarHBondContact CA-O 3.06Å; W914-I920 HydrophobicContact CB-CG1 4.4Å
915	T	70.1	Confident	57.2	Low	24 Å²	24	56.4 Å²	56.4	15%	0.147	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.9	170.8	56.3	0	0	0	0	108.9	L893 E917 N918 G919	L893-T915 HydrophobicContact CD1-CG2 3.56Å; T915-E917 PolarHBondContact O-N 2.97Å; T915-N918 PolarHBondContact OG1-N 2.73Å; T915-G919 PolarHBondContact N-O 3.17Å; T915-G919 PolarHBondContact O-N 3.19Å
916	L	69.5	Low	57.7	Low	52 Å²	52	62 Å²	62	27%	0.272	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.1	179.4	-172	67.1	0	0	0	112.5	T754 K889 D891 W914	T754-L916 HydrophobicContact CG2-CD1 4Å; K889-L916 HydrophobicContact CB-CD2 4.08Å; D891-L916 HydrophobicContact CB-CB 4.16Å; D891-L916 HydrophobicContact CB-CD2 4.5Å; D891-L916 WeakPolarHBondContact OD1-CB 3.15Å; D891-L916 PolarHBondContact OD1-N 2.68Å; W914-L916 HydrophobicContact CH2-CB 4.43Å; W914-L916 HydrophobicContact CH2-CD1 4.22Å; W914-L916 HydrophobicContact CZ2-CD1 4.43Å
917	E	69.9	Low	58	Low	123 Å²	123	59.7 Å²	59.7	58%	0.575	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-52.7	-177.8	-176.5	174.3	-168.1	0	0	113.4	R881 T915	R881-E917 IonicContact CZ-OE2 3.77Å; R881-E917 VanDerWaalsContact CZ-OE2 3.24Å; R881-E917 VanDerWaalsContact NH1-CD 3.32Å; R881-E917 IonicContact NH1-OE1 3.98Å; R881-E917 IonicContact NH1-OE2 3.6Å; R881-E917 PolarHBondContact NH1-OE2 2.87Å; R881-E917 IonicContact NH2-OE2 2.65Å; R881-E917 PolarHBondContact NH2-OE2 3.47Å; T915-E917 PolarHBondContact O-N 2.97Å
918	N	70.3	Confident	58.4	Low	107 Å²	107	63.4 Å²	63.4	57%	0.572	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-1.2	-169.5	-64	-30.3	0	0	0	113.4	T915 T921	T915-N918 PolarHBondContact OG1-N 2.73Å; N918-T921 HydrophobicContact CB-CG2 3.96Å
919	G	68.9	Low	58.8	Low	24 Å²	24	60.1 Å²	60.1	25%	0.247	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.4	-144.3	-168.6	0	0	0	0	0	110.6	W914 T915	W914-G919 WeakPolarHBondContact CA-O 3.06Å; T915-G919 PolarHBondContact N-O 3.17Å; T915-G919 PolarHBondContact O-N 3.19Å
920	I	62.4	Low	59	Low	27 Å²	27	61.2 Å²	61.2	14%	0.138	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.4	178.6	-56.8	175.4	0	0	0	109.7	F758 L762 I896 A912 W914 Q922	F758-I920 HydrophobicContact CE2-CD1 4.17Å; F758-I920 HydrophobicContact CE2-CG1 4Å; L762-I920 HydrophobicContact CD2-CD1 3.39Å; L762-I920 HydrophobicContact CG-CD1 3.93Å; I896-I920 HydrophobicContact CD1-CD1 4.4Å; I896-I920 HydrophobicContact CD1-CG1 4.33Å; I896-I920 HydrophobicContact CD1-CG2 3.97Å; A912-I920 HydrophobicContact CB-CG2 3.74Å; W914-I920 HydrophobicContact CB-CG1 4.4Å; I920-Q922 HydrophobicContact CG2-CG 4.07Å
921	T	63.6	Low	59.2	Low	53 Å²	53	63.3 Å²	63.3	33%	0.325	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	103.9	170.3	52.4	0	0	0	0	109	A912 N913 N918	A912-T921 CarbonylContact C-O 3.57Å; A912-T921 VanDerWaalsContact CA-O 3.23Å; A912-T921 WeakPolarHBondContact CA-O 3.19Å; A912-T921 WeakPolarHBondContact CB-O 3.35Å; N913-T921 PolarHBondContact N-O 2.86Å; N913-T921 PolarHBondContact O-N 3.4Å; N913-T921 PolarHBondContact O-OG1 3.48Å; N918-T921 HydrophobicContact CB-CG2 3.96Å
922	Q	64.1	Low	59.4	Low	110 Å²	110	63.7 Å²	63.7	51%	0.514	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	146	177.1	-66.8	179.7	-6.2	0	0	111.1	A912 I920	A912-Q922 HydrophobicContact CB-CG 4.2Å; I920-Q922 HydrophobicContact CG2-CG 4.07Å
923	F	59.6	Low	59.4	Low	61 Å²	61	71 Å²	71	27%	0.268	39%	0.394	S	S	.	.			trans	-104.1	-20.3	-178.2	-59.3	-56.9	0	0	0	114.6	L910 V911 N913 R999	L910-F923 HydrophobicContact CD2-CE2 4.41Å; L910-F923 HydrophobicContact CG-CE2 4.34Å; V911-F923 WeakPolarHBondContact O-CD2 3.24Å; V911-F923 PolarHBondContact O-N 3.13Å; N913-F923 HydrophobicContact CB-CE2 4.21Å; N913-F923 HydrophobicContact CB-CZ 3.9Å; N913-F923 WeakPolarHBondContact ND2-CZ 3.43Å; F923-R999 VanDerWaalsContact CE2-NH2 3.26Å
924	Y	53.8	Low	59.2	Low	36 Å²	36	78 Å²	78	14%	0.141	42%	0.423	C	S	.	.			trans	-140	135.6	-170.6	-53.5	-66.6	0	0	0	111.9	V911 H1008 N1009	V911-Y924 HydrophobicContact CG1-CD2 4.49Å; Y924-H1008 AromaticContact CD1-CD2 3.47Å; Y924-H1008 VanDerWaalsContact CD1-CD2 3.47Å; Y924-H1008 WeakPolarHBondContact CD1-CD2 3.4Å; Y924-H1008 AromaticContact CD1-NE2 3.8Å; Y924-H1008 AromaticContact CE1-CD2 3.62Å; Y924-H1008 AromaticContact CG-NE2 3.96Å; Y924-N1009 WeakPolarHBondContact CD1-OD1 3.44Å
925	D	54.9	Low	59.1	Low	120 Å²	120	80.3 Å²	80.3	64%	0.642	45%	0.445	S	S	*	.			trans	-92.4	134.3	169.8	-86.9	-24	0	0	0	110.5	G927	D925-G927 PolarHBondContact O-N 2.93Å
926	F	48.4	Very low	59.3	Low	141 Å²	141	85.9 Å²	85.9	62%	0.618	46%	0.464	S	S	*	.			trans	-81.7	114.5	-169.3	-59	-78.2	0	0	0	113.9
927	G	46.6	Very low	59.9	Low	60 Å²	60	87 Å²	87	62%	0.619	47%	0.467	S	S	*	.	S	Bend	trans	65.3	162.2	151.6	0	0	0	0	0	117.7	D925 S929	D925-G927 PolarHBondContact O-N 2.93Å; G927-S929 PolarHBondContact O-N 3.19Å
928	L	47.2	Very low	60.6	Low	101 Å²	101	83.7 Å²	83.7	53%	0.529	45%	0.45	S	S	.	.			trans	-67.2	102.9	170.4	-81.1	146	0	0	0	108.9	I932 H1013	L928-I932 HydrophobicContact CD2-CB 3.93Å; L928-I932 HydrophobicContact CD2-CD1 4.2Å; L928-I932 HydrophobicContact CD2-CG2 3.46Å; L928-I932 VanDerWaalsContact CD2-CG2 3.46Å; L928-H1013 HydrophobicContact CD2-CB 4.28Å
929	S	54	Low	61.4	Low	59 Å²	59	83.2 Å²	83.2	41%	0.413	44%	0.44	S	S	.	.			trans	-53.8	147.4	172.8	84.4	0	0	0	0	109.8	G927 A931 I932	G927-S929 PolarHBondContact O-N 3.19Å; S929-A931 PolarHBondContact O-N 3.24Å; S929-A931 PolarHBondContact OG-N 2.95Å; S929-I932 PolarHBondContact O-N 2.84Å
930	S	52.5	Low	62.3	Low	90 Å²	90	82.1 Å²	82.1	63%	0.629	43%	0.429	S	S	*	.	H	α-helix	trans	-52.6	-29.6	177.2	36.1	0	0	0	0	111.9	I932 K933 F934	S930-I932 PolarHBondContact O-N 3.48Å; S930-K933 PolarHBondContact O-N 3.04Å; S930-F934 WeakPolarHBondContact O-CD2 3.44Å; S930-F934 PolarHBondContact O-N 2.83Å
931	A	54.9	Low	63.7	Low	65 Å²	65	80.8 Å²	80.8	54%	0.537	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-38.4	174.2	0	0	0	0	0	113.7	S929 F934 A935	S929-A931 PolarHBondContact O-N 3.24Å; S929-A931 PolarHBondContact OG-N 2.95Å; A931-F934 PolarHBondContact O-N 3.18Å; A931-A935 PolarHBondContact O-N 3.36Å
932	I	57.1	Low	64.9	Low	37 Å²	37	78.3 Å²	78.3	19%	0.19	41%	0.406	C	S	.	.	H	α-helix	trans	-72.3	-37	-178.9	-58.4	167.9	0	0	0	110.9	L928 S929 S930 F934 A935 Y938	L928-I932 HydrophobicContact CD2-CB 3.93Å; L928-I932 HydrophobicContact CD2-CD1 4.2Å; L928-I932 HydrophobicContact CD2-CG2 3.46Å; L928-I932 VanDerWaalsContact CD2-CG2 3.46Å; S929-I932 PolarHBondContact O-N 2.84Å; S930-I932 PolarHBondContact O-N 3.48Å; I932-F934 PolarHBondContact O-N 3.03Å; I932-A935 PolarHBondContact O-N 3.19Å; I932-A935 VanDerWaalsContact O-N 3.14Å; I932-Y938 HydrophobicContact CG2-CD1 4.46Å; I932-Y938 HydrophobicContact CG2-CE1 4.4Å
933	K	54.9	Low	65.8	Low	158 Å²	158	73.1 Å²	73.1	69%	0.687	38%	0.382	S	S	*	.	H	α-helix	trans	-56.3	-34.8	172.8	-112.5	177.8	-178.6	172.6	0	112	S930	S930-K933 PolarHBondContact O-N 3.04Å
934	F	58.1	Low	67	Low	175 Å²	175	74.5 Å²	74.5	77%	0.768	39%	0.39	S	S	*	.	H	α-helix	trans	-85	-26.9	177.1	-67.6	-66.8	0	0	0	114	S930 A931 I932 R936	S930-F934 WeakPolarHBondContact O-CD2 3.44Å; S930-F934 PolarHBondContact O-N 2.83Å; A931-F934 PolarHBondContact O-N 3.18Å; I932-F934 PolarHBondContact O-N 3.03Å; F934-R936 PolarHBondContact O-N 3.09Å
935	A	61.4	Low	68.1	Low	63 Å²	63	75.9 Å²	75.9	52%	0.521	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-25.6	-174.7	0	0	0	0	0	113.8	A931 I932 H937	A931-A935 PolarHBondContact O-N 3.36Å; I932-A935 PolarHBondContact O-N 3.19Å; I932-A935 VanDerWaalsContact O-N 3.14Å; A935-H937 PolarHBondContact O-N 3.47Å
936	R	73.2	Confident	68.9	Low	142 Å²	142	72.7 Å²	72.7	54%	0.536	39%	0.388	S	S	.	.			trans	48.9	26.1	-175.2	-62.5	-173.2	176.2	-172.4	-0.3	113.5	F934 F979 T980	F934-R936 PolarHBondContact O-N 3.09Å; R936-F979 HydrophobicContact CB-CB 4.36Å; R936-F979 WeakPolarHBondContact O-CA 2.88Å; R936-F979 WeakPolarHBondContact O-CB 3.44Å; R936-T980 PolarHBondContact O-N 3.46Å; R936-T980 PolarHBondContact O-OG1 3.2Å
937	H	83.1	Confident	70	Confident	75 Å²	75	67 Å²	67	35%	0.347	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.3	172.8	-168.8	77.6	0	0	0	108.3	A935 T980	A935-H937 PolarHBondContact O-N 3.47Å; H937-T980 CarbonylContact C-O 3.56Å; H937-T980 VanDerWaalsContact CA-O 3.27Å; H937-T980 WeakPolarHBondContact CA-O 3.47Å; H937-T980 PolarHBondContact ND1-OG1 2.78Å
938	Y	84.6	Confident	71.6	Confident	53 Å²	53	65.3 Å²	65.3	21%	0.208	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.9	-174.4	-60.7	-63.9	0	0	0	112.3	I932 F979 T980 Y981 E982 H1013 I1014	I932-Y938 HydrophobicContact CG2-CD1 4.46Å; I932-Y938 HydrophobicContact CG2-CE1 4.4Å; Y938-F979 HydrophobicContact CD2-CB 3.94Å; Y938-F979 HydrophobicContact CD2-CD1 4.25Å; Y938-F979 AromaticContact CD2-CD2 3.56Å; Y938-F979 HydrophobicContact CD2-CD2 3.56Å; Y938-F979 HydrophobicContact CD2-CE2 4.04Å; Y938-F979 AromaticContact CD2-CG 3.68Å; Y938-F979 HydrophobicContact CD2-CG 3.68Å; Y938-F979 HydrophobicContact CE2-CB 3.76Å; Y938-F979 HydrophobicContact CE2-CD1 4.07Å; Y938-F979 HydrophobicContact CE2-CD2 4.14Å; Y938-F979 AromaticContact CE2-CG 3.75Å; Y938-F979 HydrophobicContact CE2-CG 3.75Å; Y938-T980 PolarHBondContact N-O 2.87Å; Y938-Y981 WeakPolarHBondContact O-CA 3.44Å; Y938-Y981 WeakPolarHBondContact O-CB 3.33Å; Y938-E982 PolarHBondContact O-N 3.01Å; Y938-E982 VanDerWaalsContact O-N 3.08Å; Y938-H1013 WeakPolarHBondContact CA-ND1 2.96Å; Y938-H1013 HydrophobicContact CD1-CB 3.86Å; Y938-H1013 AromaticContact CD1-ND1 3.84Å; Y938-H1013 HydrophobicContact CG-CB 4.42Å; Y938-I1014 HydrophobicContact CD2-CD1 4.35Å; Y938-I1014 HydrophobicContact CG-CD1 4.33Å
939	R	86.3	Confident	73.4	Confident	98 Å²	98	60.5 Å²	60.5	37%	0.37	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.8	172.1	-68.9	-170.6	-76.7	178.5	-0.9	108.9	E982 Y984 G1010 N1011 H1013 I1014	R939-E982 HydrophobicContact CB-CG 4.49Å; R939-E982 WeakPolarHBondContact CD-OE1 3.48Å; R939-E982 HydrophobicContact CG-CG 3.97Å; R939-E982 VanDerWaalsContact CG-OE1 3.25Å; R939-E982 WeakPolarHBondContact CG-OE1 2.99Å; R939-Y984 HydrophobicContact CB-CE1 4.37Å; R939-G1010 PolarHBondContact NH2-O 3.21Å; R939-N1011 PolarHBondContact NE-O 3.09Å; R939-H1013 PolarHBondContact N-ND1 3.17Å; R939-H1013 PolarHBondContact O-N 3.11Å; R939-I1014 PolarHBondContact O-N 3.5Å
940	I	88.7	Confident	74.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.8	-170.7	-54.1	-170.6	0	0	0	109.5	L970 Y981 E982 I983 Y984 I1014 L1016	I940-L970 HydrophobicContact CD1-CD1 3.57Å; I940-L970 HydrophobicContact CD1-CD2 3.23Å; I940-L970 HydrophobicContact CD1-CG 3.99Å; I940-Y981 VanDerWaalsContact CD1-CB 3.41Å; I940-Y981 HydrophobicContact CD1-CD1 4.47Å; I940-Y981 HydrophobicContact CD1-CD2 3.92Å; I940-Y981 HydrophobicContact CD1-CG 3.7Å; I940-E982 WeakPolarHBondContact CA-O 3.14Å; I940-E982 WeakPolarHBondContact CB-O 3.03Å; I940-E982 PolarHBondContact N-O 2.93Å; I940-I983 HydrophobicContact CB-CG1 4.15Å; I940-I983 HydrophobicContact CG2-CG1 4.34Å; I940-I983 VanDerWaalsContact O-CA 3.32Å; I940-I983 WeakPolarHBondContact O-CA 3.28Å; I940-Y984 WeakPolarHBondContact O-CD1 3.17Å; I940-Y984 PolarHBondContact O-N 3.13Å; I940-I1014 CarbonylContact C-O 3.2Å; I940-I1014 VanDerWaalsContact CA-O 3.23Å; I940-I1014 WeakPolarHBondContact CA-O 3.41Å; I940-I1014 HydrophobicContact CD1-CB 4.4Å; I940-I1014 HydrophobicContact CD1-CD1 4.39Å; I940-I1014 HydrophobicContact CG1-CB 4.12Å; I940-I1014 HydrophobicContact CG2-CB 4.48Å; I940-L1016 HydrophobicContact CG2-CB 4.17Å; I940-L1016 HydrophobicContact CG2-CD1 3.86Å; I940-L1016 HydrophobicContact CG2-CG 3.62Å
941	A	90.4	Very high	76.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.7	172.3	0	0	0	0	0	109.6	Y984 L986 L1003 E1006 A1012 I1014 A1015 L1016	A941-Y984 HydrophobicContact CB-CE1 4.34Å; A941-Y984 HydrophobicContact CB-CE2 3.81Å; A941-L986 HydrophobicContact CB-CD1 3.92Å; A941-L1003 HydrophobicContact CB-CD2 3.66Å; A941-E1006 HydrophobicContact CB-CB 4.32Å; A941-A1012 HydrophobicContact CB-CB 3.64Å; A941-I1014 PolarHBondContact N-O 3.39Å; A941-A1015 CarbonylContact O-C 3.5Å; A941-A1015 VanDerWaalsContact O-CA 3.28Å; A941-A1015 WeakPolarHBondContact O-CA 3.07Å; A941-L1016 PolarHBondContact O-N 2.97Å
942	A	88.2	Confident	77.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153.7	177.5	0	0	0	0	0	112.3	V949 I983 Y984 I985 L986 L1016	A942-V949 HydrophobicContact CB-CG1 4.32Å; A942-V949 HydrophobicContact CB-CG2 4.41Å; A942-I983 HydrophobicContact CB-CG2 3.84Å; A942-Y984 PolarHBondContact N-O 3.3Å; A942-I985 HydrophobicContact CB-CG1 4.39Å; A942-I985 VanDerWaalsContact O-CA 3.29Å; A942-I985 WeakPolarHBondContact O-CA 3.47Å; A942-L986 PolarHBondContact O-N 2.79Å; A942-L1016 WeakPolarHBondContact CA-O 3.32Å; A942-L1016 HydrophobicContact CB-CB 4.25Å; A942-L1016 WeakPolarHBondContact CB-O 3.35Å
943	V	84.9	Confident	78.1	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.006	31%	0.307	C	S	.	.			trans	-114.3	131.5	170.8	167.6	0	0	0	0	108.3	E945 V949 L986 F991 L1003 L1016 A1017	V943-E945 PolarHBondContact O-N 2.61Å; V943-V949 WeakPolarHBondContact O-CB 3.34Å; V943-L986 HydrophobicContact CG2-CD1 4.4Å; V943-F991 HydrophobicContact CG1-CE1 4.44Å; V943-F991 HydrophobicContact CG1-CZ 4.08Å; V943-L1003 HydrophobicContact CB-CD1 4.23Å; V943-L1003 HydrophobicContact CG2-CD1 3.58Å; V943-L1003 HydrophobicContact CG2-CD2 4.1Å; V943-L1003 HydrophobicContact CG2-CG 3.72Å; V943-L1016 PolarHBondContact N-O 3.23Å; V943-A1017 HydrophobicContact CB-CB 4.07Å
944	E	84.1	Confident	78.7	Confident	90 Å²	90	60.8 Å²	60.8	42%	0.421	30%	0.296	S	S	.	.			trans	-73.3	104.9	-179.3	-171.7	175.6	176.6	0	0	110.6	K951 I985	E944-K951 WeakPolarHBondContact OE1-CB 3.09Å; E944-I985 HydrophobicContact CB-CD1 4.17Å; E944-I985 HydrophobicContact CB-CG2 4.37Å
945	E	75.7	Confident	79.1	Confident	65 Å²	65	63.2 Å²	63.2	30%	0.304	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-150.9	111.2	174.7	-167.6	171.9	175.6	0	0	110	V943 F948 V949 F991 P1018	V943-E945 PolarHBondContact O-N 2.61Å; E945-F948 WeakPolarHBondContact O-CA 3.36Å; E945-F948 WeakPolarHBondContact O-CB 3.48Å; E945-F948 PolarHBondContact O-N 2.85Å; E945-V949 CarbonylContact C-O 3.6Å; E945-V949 PolarHBondContact N-O 3.34Å; E945-V949 PolarHBondContact O-N 2.96Å; E945-F991 WeakPolarHBondContact OE2-CZ 3.49Å; E945-P1018 HydrophobicContact CB-CG 4.2Å; E945-P1018 HydrophobicContact CG-CG 4.32Å; E945-P1018 WeakPolarHBondContact OE2-CG 3.46Å
946	A	73.5	Confident	79.2	Confident	53 Å²	53	65.9 Å²	65.9	44%	0.438	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	141.8	178	0	0	0	0	0	110.8	E950	A946-E950 HydrophobicContact CB-CB 4.34Å; A946-E950 HydrophobicContact CB-CG 4.44Å
947	P	70.6	Confident	78.2	Confident	21 Å²	21	62.9 Å²	62.9	14%	0.136	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.5	10	7.2	36.6	-36.4	0	0	0	115.1	G964 Y965 W1252 W1253	P947-G964 WeakPolarHBondContact O-CA 3.38Å; P947-Y965 PolarHBondContact O-N 3.18Å; P947-W1252 HydrophobicContact CB-CB 4.35Å; P947-W1252 HydrophobicContact CB-CE3 4.45Å; P947-W1253 HydrophobicContact CG-CD2 4.47Å; P947-W1253 HydrophobicContact CG-CZ2 4.05Å
948	F	81	Confident	77.3	Confident	25 Å²	25	65.3 Å²	65.3	11%	0.11	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-47.4	-173.8	-60.1	-81.9	0	0	0	112.5	E945 G964 Y965 C966 P1018 W1253	E945-F948 WeakPolarHBondContact O-CA 3.36Å; E945-F948 WeakPolarHBondContact O-CB 3.48Å; E945-F948 PolarHBondContact O-N 2.85Å; F948-G964 CarbonylContact O-C 3.5Å; F948-G964 VanDerWaalsContact O-CA 3.28Å; F948-G964 WeakPolarHBondContact O-CA 3.5Å; F948-Y965 HydrophobicContact CD1-CD1 4.25Å; F948-Y965 PolarHBondContact O-N 3.2Å; F948-C966 WeakPolarHBondContact O-CB 3.5Å; F948-C966 PolarHBondContact O-N 2.91Å; F948-C966 VanDerWaalsContact O-N 3.07Å; F948-P1018 HydrophobicContact CD1-CB 4.34Å; F948-P1018 HydrophobicContact CD2-CB 3.67Å; F948-P1018 HydrophobicContact CD2-CG 3.86Å; F948-P1018 HydrophobicContact CE1-CB 4.4Å; F948-P1018 HydrophobicContact CE2-CB 3.74Å; F948-P1018 HydrophobicContact CE2-CG 4.3Å; F948-P1018 HydrophobicContact CG-CB 3.99Å; F948-P1018 HydrophobicContact CG-CG 4.28Å; F948-P1018 HydrophobicContact CZ-CB 4.11Å; F948-W1253 HydrophobicContact CE1-CH2 4.44Å; F948-W1253 HydrophobicContact CE1-CZ2 4.3Å; F948-W1253 HydrophobicContact CZ-CZ2 4.3Å
949	V	84	Confident	76.5	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-143.6	117	177.7	179.3	0	0	0	0	108.3	A942 V943 E945 C966 I967 I985	A942-V949 HydrophobicContact CB-CG1 4.32Å; A942-V949 HydrophobicContact CB-CG2 4.41Å; V943-V949 WeakPolarHBondContact O-CB 3.34Å; E945-V949 CarbonylContact C-O 3.6Å; E945-V949 PolarHBondContact N-O 3.34Å; E945-V949 PolarHBondContact O-N 2.96Å; V949-C966 HydrophobicContact CG2-CB 4.24Å; V949-I967 HydrophobicContact CG1-CD1 4.17Å; V949-I967 HydrophobicContact CG2-CG1 4.49Å; V949-I985 HydrophobicContact CG1-CD1 4.09Å
950	E	82.3	Confident	75.6	Confident	53 Å²	53	68 Å²	68	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.9	-176.5	-175.8	171.7	-155.3	0	0	109.6	A946 Y962 Q963 K1256	A946-E950 HydrophobicContact CB-CB 4.34Å; A946-E950 HydrophobicContact CB-CG 4.44Å; E950-Y962 WeakPolarHBondContact O-CA 3.37Å; E950-Q963 WeakPolarHBondContact CA-O 3.34Å; E950-Q963 PolarHBondContact N-O 3.46Å; E950-Q963 PolarHBondContact O-N 3.24Å; E950-Q963 VanDerWaalsContact O-O 3.09Å; E950-K1256 VanDerWaalsContact CD-NZ 3.27Å; E950-K1256 IonicContact OE1-NZ 3.89Å; E950-K1256 PolarHBondContact OE1-NZ 2.9Å; E950-K1256 IonicContact OE2-NZ 3.76Å; E950-K1256 PolarHBondContact OE2-NZ 2.98Å
951	K	83.4	Confident	75.2	Confident	102 Å²	102	73.7 Å²	73.7	44%	0.443	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.9	175.2	-172.8	-179.3	-176.6	-179	0	110.4	E944 P960 R961 Y962	E944-K951 WeakPolarHBondContact OE1-CB 3.09Å; K951-P960 HydrophobicContact CD-CB 4.05Å; K951-P960 HydrophobicContact CG-CB 3.86Å; K951-R961 WeakPolarHBondContact CA-O 3.46Å; K951-Y962 HydrophobicContact CB-CD1 3.94Å; K951-Y962 HydrophobicContact CB-CE1 3.81Å; K951-Y962 HydrophobicContact CD-CE1 4.21Å; K951-Y962 HydrophobicContact CG-CD1 4.18Å; K951-Y962 HydrophobicContact CG-CE1 3.71Å
952	Y	78.9	Confident	74.9	Confident	72 Å²	72	76.5 Å²	76.5	28%	0.282	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.5	171.1	73.5	-79.7	0	0	0	110.7	L954 R961 Y962 Q963	Y952-L954 HydrophobicContact CD2-CD1 4.35Å; Y952-L954 HydrophobicContact CE2-CD1 3.66Å; Y952-L954 HydrophobicContact CE2-CG 4.25Å; Y952-R961 HydrophobicContact CD1-CB 3.96Å; Y952-R961 VanDerWaalsContact CD1-O 3.28Å; Y952-R961 WeakPolarHBondContact CD1-O 3.47Å; Y952-R961 HydrophobicContact CD2-CB 4.33Å; Y952-R961 HydrophobicContact CE1-CB 3.39Å; Y952-R961 HydrophobicContact CE2-CB 3.8Å; Y952-R961 HydrophobicContact CG-CB 4.41Å; Y952-R961 PolarHBondContact N-O 3.48Å; Y952-R961 PolarHBondContact O-N 3.27Å; Y952-R961 VanDerWaalsContact O-O 3.08Å; Y952-R961 WeakPolarHBondContact OH-CB 3.09Å; Y952-R961 WeakPolarHBondContact OH-CD 3.43Å; Y952-Y962 VanDerWaalsContact CE1-C 3.45Å; Y952-Q963 HydrophobicContact CD1-CB 3.77Å; Y952-Q963 HydrophobicContact CD1-CG 3.53Å; Y952-Q963 HydrophobicContact CE1-CB 3.68Å; Y952-Q963 HydrophobicContact CE1-CG 4Å; Y952-Q963 HydrophobicContact CG-CG 4.28Å
953	T	71.8	Confident	74.7	Confident	100 Å²	100	80 Å²	80	61%	0.613	41%	0.41	S	S	*	.			trans	-117.7	127.9	173.5	51.3	0	0	0	0	108
954	L	69	Low	74.7	Confident	88 Å²	88	79.9 Å²	79.9	46%	0.461	41%	0.41	S	S	.	.			trans	-83.1	140.7	167	-84.6	133.1	0	0	0	107.6	Y952 S956 D957	Y952-L954 HydrophobicContact CD2-CD1 4.35Å; Y952-L954 HydrophobicContact CE2-CD1 3.66Å; Y952-L954 HydrophobicContact CE2-CG 4.25Å; L954-S956 PolarHBondContact O-N 2.82Å; L954-D957 PolarHBondContact O-N 3.23Å
955	F	66.3	Low	74.6	Confident	226 Å²	226	75.9 Å²	75.9	99%	0.991	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-15.6	-179.4	-68.2	-82.3	0	0	0	115.1
956	S	62.5	Low	75	Confident	120 Å²	120	73.3 Å²	73.3	84%	0.839	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-7	-179.1	-66.6	0	0	0	0	115.9	L954	L954-S956 PolarHBondContact O-N 2.82Å
957	D	53.1	Low	75.7	Confident	78 Å²	78	71.4 Å²	71.4	42%	0.417	36%	0.362	S	S	.	.			trans	-127.2	128.1	-177.4	-101.8	-21.4	0	0	0	110.6	L954 K959 R961	L954-D957 PolarHBondContact O-N 3.23Å; D957-K959 PolarHBondContact O-N 3.25Å; D957-R961 IonicContact OD2-CZ 3.29Å; D957-R961 IonicContact OD2-NE 2.75Å; D957-R961 IonicContact OD2-NH2 3.98Å; D957-R961 PolarHBondContact OD2-NH2 3.36Å; D957-R961 VanDerWaalsContact OD2-NH2 3.07Å
958	S	64.6	Low	76.4	Confident	126 Å²	126	71.5 Å²	71.5	88%	0.881	36%	0.362	S	S	*	.	S	Bend	trans	-77.1	-8.9	172.2	63	0	0	0	0	113.2
959	K	66.3	Low	76.5	Confident	160 Å²	160	71.2 Å²	71.2	70%	0.696	36%	0.361	S	S	*	.	S	Bend	trans	-86.3	121.3	-179.5	-157	174.7	-175.1	-178.4	0	109.2	D957 R961	D957-K959 PolarHBondContact O-N 3.25Å; K959-R961 PolarHBondContact O-N 2.9Å
960	P	68.7	Low	76.6	Confident	48 Å²	48	71.4 Å²	71.4	31%	0.312	36%	0.362	S	S	.	.			trans	-65.4	134.2	179.3	28.1	-34.5	0	0	0	110.5	K951	K951-P960 HydrophobicContact CD-CB 4.05Å; K951-P960 HydrophobicContact CG-CB 3.86Å
961	R	80.5	Confident	76.8	Confident	119 Å²	119	74.1 Å²	74.1	45%	0.449	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	160.3	170.8	-64	-167.8	-173.6	-159.6	2.8	109	K951 Y952 D957 K959	K951-R961 WeakPolarHBondContact CA-O 3.46Å; Y952-R961 HydrophobicContact CD1-CB 3.96Å; Y952-R961 VanDerWaalsContact CD1-O 3.28Å; Y952-R961 WeakPolarHBondContact CD1-O 3.47Å; Y952-R961 HydrophobicContact CD2-CB 4.33Å; Y952-R961 HydrophobicContact CE1-CB 3.39Å; Y952-R961 HydrophobicContact CE2-CB 3.8Å; Y952-R961 HydrophobicContact CG-CB 4.41Å; Y952-R961 PolarHBondContact N-O 3.48Å; Y952-R961 PolarHBondContact O-N 3.27Å; Y952-R961 VanDerWaalsContact O-O 3.08Å; Y952-R961 WeakPolarHBondContact OH-CB 3.09Å; Y952-R961 WeakPolarHBondContact OH-CD 3.43Å; D957-R961 IonicContact OD2-CZ 3.29Å; D957-R961 IonicContact OD2-NE 2.75Å; D957-R961 IonicContact OD2-NH2 3.98Å; D957-R961 PolarHBondContact OD2-NH2 3.36Å; D957-R961 VanDerWaalsContact OD2-NH2 3.07Å; K959-R961 PolarHBondContact O-N 2.9Å
962	Y	83	Confident	76.8	Confident	60 Å²	60	72.4 Å²	72.4	24%	0.235	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.2	-177.7	-55.1	-68.5	0	0	0	110.1	E950 K951 Y952 I967 I985	E950-Y962 WeakPolarHBondContact O-CA 3.37Å; K951-Y962 HydrophobicContact CB-CD1 3.94Å; K951-Y962 HydrophobicContact CB-CE1 3.81Å; K951-Y962 HydrophobicContact CD-CE1 4.21Å; K951-Y962 HydrophobicContact CG-CD1 4.18Å; K951-Y962 HydrophobicContact CG-CE1 3.71Å; Y952-Y962 VanDerWaalsContact CE1-C 3.45Å; Y962-I967 VanDerWaalsContact C-CD1 3.4Å; Y962-I985 HydrophobicContact CD1-CD1 3.37Å; Y962-I985 HydrophobicContact CD1-CG1 4.33Å; Y962-I985 HydrophobicContact CD2-CD1 4.23Å; Y962-I985 HydrophobicContact CD2-CG1 4.37Å; Y962-I985 HydrophobicContact CE1-CD1 3.06Å; Y962-I985 HydrophobicContact CE1-CG1 3.89Å; Y962-I985 HydrophobicContact CE2-CD1 3.96Å; Y962-I985 HydrophobicContact CE2-CG1 3.89Å; Y962-I985 HydrophobicContact CG-CD1 3.95Å
963	Q	85.4	Confident	76.9	Confident	72 Å²	72	72.3 Å²	72.3	34%	0.336	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.3	175.1	63.8	177.7	3.3	0	0	108.8	E950 Y952 W1252	E950-Q963 WeakPolarHBondContact CA-O 3.34Å; E950-Q963 PolarHBondContact N-O 3.46Å; E950-Q963 PolarHBondContact O-N 3.24Å; E950-Q963 VanDerWaalsContact O-O 3.09Å; Y952-Q963 HydrophobicContact CD1-CB 3.77Å; Y952-Q963 HydrophobicContact CD1-CG 3.53Å; Y952-Q963 HydrophobicContact CE1-CB 3.68Å; Y952-Q963 HydrophobicContact CE1-CG 4Å; Y952-Q963 HydrophobicContact CG-CG 4.28Å; Q963-W1252 HydrophobicContact CB-CH2 3.87Å; Q963-W1252 HydrophobicContact CB-CZ2 4.39Å; Q963-W1252 HydrophobicContact CG-CH2 3.7Å; Q963-W1252 HydrophobicContact CG-CZ3 4.41Å
964	G	84.4	Confident	77.6	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	157.6	171.9	176.9	0	0	0	0	0	111.4	P947 F948 C966 I967 D968 W1252	P947-G964 WeakPolarHBondContact O-CA 3.38Å; F948-G964 CarbonylContact O-C 3.5Å; F948-G964 VanDerWaalsContact O-CA 3.28Å; F948-G964 WeakPolarHBondContact O-CA 3.5Å; G964-C966 VanDerWaalsContact C-N 3.31Å; G964-C966 PolarHBondContact O-N 3.33Å; G964-I967 PolarHBondContact O-N 2.58Å; G964-D968 PolarHBondContact O-N 3.1Å; G964-W1252 VanDerWaalsContact C-CE2 3.47Å; G964-W1252 VanDerWaalsContact CA-CH2 3.44Å; G964-W1252 VanDerWaalsContact N-CH2 3.33Å; G964-W1252 VanDerWaalsContact N-CZ2 3.3Å
965	Y	81.3	Confident	78.4	Confident	6 Å²	6	69 Å²	69	2%	0.024	36%	0.358	C	S	.	.	H	α-helix	trans	-56.5	-44.9	179.4	176.3	-103.6	0	0	0	112.2	P947 F948 I967 D968 L969 L1248 W1253	P947-Y965 PolarHBondContact O-N 3.18Å; F948-Y965 HydrophobicContact CD1-CD1 4.25Å; F948-Y965 PolarHBondContact O-N 3.2Å; Y965-I967 VanDerWaalsContact C-N 3.32Å; Y965-I967 PolarHBondContact O-N 2.82Å; Y965-D968 PolarHBondContact O-N 2.73Å; Y965-L969 HydrophobicContact CE1-CD2 4.42Å; Y965-L969 VanDerWaalsContact O-CB 3.26Å; Y965-L969 WeakPolarHBondContact O-CB 3.45Å; Y965-L969 PolarHBondContact O-N 2.84Å; Y965-L1248 HydrophobicContact CD2-CB 4.11Å; Y965-L1248 HydrophobicContact CE2-CB 4.03Å; Y965-W1253 AromaticContact CD1-CH2 3.97Å; Y965-W1253 HydrophobicContact CD1-CH2 3.97Å; Y965-W1253 HydrophobicContact CD1-CZ3 4.44Å; Y965-W1253 AromaticContact CD2-CH2 3.94Å; Y965-W1253 HydrophobicContact CD2-CH2 3.94Å; Y965-W1253 AromaticContact CD2-CZ3 3.57Å; Y965-W1253 HydrophobicContact CD2-CZ3 3.57Å; Y965-W1253 HydrophobicContact CE1-CH2 4.4Å; Y965-W1253 HydrophobicContact CE2-CH2 4.37Å; Y965-W1253 HydrophobicContact CE2-CZ3 4.09Å; Y965-W1253 AromaticContact CG-CH2 3.7Å; Y965-W1253 HydrophobicContact CG-CH2 3.7Å; Y965-W1253 AromaticContact CG-CZ3 3.76Å; Y965-W1253 HydrophobicContact CG-CZ3 3.76Å
966	C	84.6	Confident	79	Confident	10 Å²	10	62.2 Å²	62.2	7%	0.068	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-32.7	-179.9	-71.9	0	0	0	0	112.5	F948 V949 G964 L970 L1016	F948-C966 WeakPolarHBondContact O-CB 3.5Å; F948-C966 PolarHBondContact O-N 2.91Å; F948-C966 VanDerWaalsContact O-N 3.07Å; V949-C966 HydrophobicContact CG2-CB 4.24Å; G964-C966 VanDerWaalsContact C-N 3.31Å; G964-C966 PolarHBondContact O-N 3.33Å; C966-L970 VanDerWaalsContact O-CB 3.25Å; C966-L970 WeakPolarHBondContact O-CB 3.36Å; C966-L970 PolarHBondContact O-N 2.95Å; C966-L1016 HydrophobicContact CB-CB 4.34Å; C966-L1016 HydrophobicContact CB-CD2 4.23Å
967	I	87.7	Confident	79.9	Confident	13 Å²	13	62.3 Å²	62.3	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-74.1	-44.4	179.6	-64.2	-179.8	0	0	0	110.5	V949 Y962 G964 Y965 L969 L970 Q971 I983 L1016	V949-I967 HydrophobicContact CG1-CD1 4.17Å; V949-I967 HydrophobicContact CG2-CG1 4.49Å; Y962-I967 VanDerWaalsContact C-CD1 3.4Å; G964-I967 PolarHBondContact O-N 2.58Å; Y965-I967 VanDerWaalsContact C-N 3.32Å; Y965-I967 PolarHBondContact O-N 2.82Å; I967-L969 VanDerWaalsContact C-N 3.31Å; I967-L969 PolarHBondContact O-N 2.78Å; I967-L970 PolarHBondContact O-N 3.37Å; I967-Q971 PolarHBondContact O-N 3.41Å; I967-I983 HydrophobicContact CD1-CD1 4.35Å; I967-I983 HydrophobicContact CG1-CD1 4.23Å; I967-I983 HydrophobicContact CG2-CD1 4.46Å; I967-L1016 HydrophobicContact CG1-CD1 4.43Å
968	D	85.5	Confident	81.4	Confident	24 Å²	24	64 Å²	64	13%	0.128	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-42.8	174.2	-74.5	-8.2	0	0	0	110.5	G964 Y965 Q971 L972 L1248 K1251 W1252	G964-D968 PolarHBondContact O-N 3.1Å; Y965-D968 PolarHBondContact O-N 2.73Å; D968-Q971 PolarHBondContact O-N 2.82Å; D968-L972 PolarHBondContact O-N 3.3Å; D968-L972 VanDerWaalsContact O-N 3.11Å; D968-L1248 HydrophobicContact CB-CD1 4.07Å; D968-L1248 HydrophobicContact CB-CD2 3.58Å; D968-L1248 HydrophobicContact CB-CG 4.48Å; D968-L1248 WeakPolarHBondContact OD2-CD2 3.2Å; D968-K1251 IonicContact OD1-NZ 3.93Å; D968-K1251 IonicContact OD2-NZ 3.25Å; D968-K1251 PolarHBondContact OD2-NZ 3.27Å; D968-W1252 PolarHBondContact OD2-NE1 3.05Å
969	L	82.2	Confident	82.4	Confident	19 Å²	19	58.9 Å²	58.9	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-46.1	175.8	-177.7	66.4	0	0	0	111.7	Y965 I967 Q971 L972 I973 L1035 L1245	Y965-L969 HydrophobicContact CE1-CD2 4.42Å; Y965-L969 VanDerWaalsContact O-CB 3.26Å; Y965-L969 WeakPolarHBondContact O-CB 3.45Å; Y965-L969 PolarHBondContact O-N 2.84Å; I967-L969 VanDerWaalsContact C-N 3.31Å; I967-L969 PolarHBondContact O-N 2.78Å; L969-Q971 VanDerWaalsContact C-N 3.28Å; L969-Q971 PolarHBondContact O-N 3.28Å; L969-L972 WeakPolarHBondContact O-CB 3.38Å; L969-L972 PolarHBondContact O-N 2.93Å; L969-I973 HydrophobicContact CD1-CD1 4.44Å; L969-I973 HydrophobicContact CG-CD1 3.98Å; L969-I973 WeakPolarHBondContact O-CG1 3.41Å; L969-I973 PolarHBondContact O-N 2.02Å; L969-L1035 HydrophobicContact CD2-CD1 3.8Å; L969-L1035 HydrophobicContact CD2-CD2 3.96Å; L969-L1245 HydrophobicContact CD1-CD1 3.96Å
970	L	86.7	Confident	83.5	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-40.1	176.1	176.5	73.8	0	0	0	111.4	I940 C966 I967 L972 I973 A974 F979 Y981 I983 L1016	I940-L970 HydrophobicContact CD1-CD1 3.57Å; I940-L970 HydrophobicContact CD1-CD2 3.23Å; I940-L970 HydrophobicContact CD1-CG 3.99Å; C966-L970 VanDerWaalsContact O-CB 3.25Å; C966-L970 WeakPolarHBondContact O-CB 3.36Å; C966-L970 PolarHBondContact O-N 2.95Å; I967-L970 PolarHBondContact O-N 3.37Å; L970-L972 VanDerWaalsContact C-N 3.31Å; L970-L972 PolarHBondContact O-N 2.93Å; L970-I973 PolarHBondContact O-N 3.44Å; L970-A974 VanDerWaalsContact O-CB 3.24Å; L970-A974 WeakPolarHBondContact O-CB 3.34Å; L970-A974 PolarHBondContact O-N 2.93Å; L970-F979 HydrophobicContact CD1-CE2 4.24Å; L970-F979 HydrophobicContact CD1-CZ 4.11Å; L970-Y981 HydrophobicContact CD2-CD1 3.94Å; L970-Y981 HydrophobicContact CD2-CD2 3.65Å; L970-Y981 HydrophobicContact CD2-CE1 3.79Å; L970-Y981 HydrophobicContact CD2-CE2 3.51Å; L970-Y981 HydrophobicContact CD2-CG 3.87Å; L970-Y981 HydrophobicContact CG-CD1 4.19Å; L970-Y981 HydrophobicContact CG-CE1 3.95Å; L970-I983 HydrophobicContact CD2-CD1 4.16Å; L970-I983 HydrophobicContact CD2-CG1 4.47Å; L970-L1016 HydrophobicContact CB-CD1 3.86Å; L970-L1016 HydrophobicContact CB-CD2 4.27Å; L970-L1016 HydrophobicContact CD2-CD1 3.5Å; L970-L1016 VanDerWaalsContact CD2-CD1 3.5Å; L970-L1016 HydrophobicContact CD2-CG 4.44Å; L970-L1016 HydrophobicContact CG-CD1 4.14Å
971	Q	86.3	Confident	84.5	Confident	110 Å²	110	56.1 Å²	56.1	51%	0.514	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-39.8	177.3	-172.6	174	-2.1	0	0	111.7	I967 D968 L969 T975	I967-Q971 PolarHBondContact O-N 3.41Å; D968-Q971 PolarHBondContact O-N 2.82Å; L969-Q971 VanDerWaalsContact C-N 3.28Å; L969-Q971 PolarHBondContact O-N 3.28Å; Q971-T975 WeakPolarHBondContact O-CB 3.33Å; Q971-T975 PolarHBondContact O-N 3.45Å; Q971-T975 PolarHBondContact O-OG1 3.32Å
972	L	83.1	Confident	84.9	Confident	65 Å²	65	55.2 Å²	55.2	34%	0.34	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-44.7	173	-68.1	174.8	0	0	0	111.5	D968 L969 L970 T975 A976 L1248	D968-L972 PolarHBondContact O-N 3.3Å; D968-L972 VanDerWaalsContact O-N 3.11Å; L969-L972 WeakPolarHBondContact O-CB 3.38Å; L969-L972 PolarHBondContact O-N 2.93Å; L970-L972 VanDerWaalsContact C-N 3.31Å; L970-L972 PolarHBondContact O-N 2.93Å; L972-T975 PolarHBondContact O-N 3.12Å; L972-A976 WeakPolarHBondContact O-CB 3.4Å; L972-A976 PolarHBondContact O-N 3.13Å; L972-L1248 HydrophobicContact CD1-CD1 3.7Å
973	I	82.4	Confident	85.1	Confident	70 Å²	70	54.4 Å²	54.4	36%	0.359	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-45.1	179	-65.4	167.1	0	0	0	111.1	L969 L970 T975 A976 L977 F979	L969-I973 HydrophobicContact CD1-CD1 4.44Å; L969-I973 HydrophobicContact CG-CD1 3.98Å; L969-I973 WeakPolarHBondContact O-CG1 3.41Å; L969-I973 PolarHBondContact O-N 2.02Å; L970-I973 PolarHBondContact O-N 3.44Å; I973-T975 VanDerWaalsContact C-N 3.28Å; I973-T975 PolarHBondContact O-N 3.15Å; I973-A976 PolarHBondContact O-N 3.45Å; I973-L977 HydrophobicContact CG2-CD1 3.86Å; I973-L977 HydrophobicContact CG2-CG 4.44Å; I973-L977 WeakPolarHBondContact O-CB 3.23Å; I973-L977 PolarHBondContact O-N 3.03Å; I973-F979 HydrophobicContact CG2-CE1 3.86Å; I973-F979 HydrophobicContact CG2-CZ 4.04Å
974	A	85.7	Confident	85.3	Confident	9 Å²	9	54.2 Å²	54.2	7%	0.074	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-39.1	177.3	0	0	0	0	0	111.8	L970 N978 F979 Y981	L970-A974 VanDerWaalsContact O-CB 3.24Å; L970-A974 WeakPolarHBondContact O-CB 3.34Å; L970-A974 PolarHBondContact O-N 2.93Å; A974-N978 WeakPolarHBondContact O-CA 3.39Å; A974-N978 PolarHBondContact O-N 3.07Å; A974-F979 HydrophobicContact CB-CD2 3.93Å; A974-F979 HydrophobicContact CB-CE1 4.28Å; A974-F979 HydrophobicContact CB-CE2 3.59Å; A974-F979 HydrophobicContact CB-CG 4.42Å; A974-F979 HydrophobicContact CB-CZ 3.78Å; A974-F979 PolarHBondContact O-N 3.45Å; A974-F979 VanDerWaalsContact O-N 3.09Å; A974-Y981 HydrophobicContact CB-CD1 3.83Å; A974-Y981 HydrophobicContact CB-CE1 3.72Å
975	T	85.6	Confident	85.3	Confident	109 Å²	109	56 Å²	56	67%	0.669	30%	0.3	S	S	*	.	H	α-helix	trans	-69.2	-43.2	175.5	-53.8	0	0	0	0	111.4	Q971 L972 I973	Q971-T975 WeakPolarHBondContact O-CB 3.33Å; Q971-T975 PolarHBondContact O-N 3.45Å; Q971-T975 PolarHBondContact O-OG1 3.32Å; L972-T975 PolarHBondContact O-N 3.12Å; I973-T975 VanDerWaalsContact C-N 3.28Å; I973-T975 PolarHBondContact O-N 3.15Å
976	A	80	Confident	85.3	Confident	84 Å²	84	56.9 Å²	56.9	69%	0.694	31%	0.305	S	S	*	.	H	α-helix	trans	-68.3	-38.3	-179.4	0	0	0	0	0	113.1	L972 I973	L972-A976 WeakPolarHBondContact O-CB 3.4Å; L972-A976 PolarHBondContact O-N 3.13Å; I973-A976 PolarHBondContact O-N 3.45Å
977	L	81.1	Confident	84.8	Confident	122 Å²	122	62.9 Å²	62.9	64%	0.639	34%	0.344	S	S	*	.	H	α-helix	trans	-97.5	-3.6	-178.3	-62.7	-179.6	0	0	0	113.6	I973 F979	I973-L977 HydrophobicContact CG2-CD1 3.86Å; I973-L977 HydrophobicContact CG2-CG 4.44Å; I973-L977 WeakPolarHBondContact O-CB 3.23Å; I973-L977 PolarHBondContact O-N 3.03Å; L977-F979 HydrophobicContact CB-CD1 3.75Å; L977-F979 HydrophobicContact CB-CE1 3.98Å; L977-F979 HydrophobicContact CD1-CE1 4.17Å
978	N	84.1	Confident	83.9	Confident	113 Å²	113	69 Å²	69	60%	0.604	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	60.4	-180	-168.8	19.8	0	0	0	113.3	A974	A974-N978 WeakPolarHBondContact O-CA 3.39Å; A974-N978 PolarHBondContact O-N 3.07Å
979	F	86.6	Confident	83.2	Confident	20 Å²	20	72 Å²	72	9%	0.088	40%	0.395	C	S	.	.			trans	-125.6	162.3	170	68.5	-103.7	0	0	0	111.3	R936 Y938 L970 I973 A974 L977 Y981 I1014	R936-F979 HydrophobicContact CB-CB 4.36Å; R936-F979 WeakPolarHBondContact O-CA 2.88Å; R936-F979 WeakPolarHBondContact O-CB 3.44Å; Y938-F979 HydrophobicContact CD2-CB 3.94Å; Y938-F979 HydrophobicContact CD2-CD1 4.25Å; Y938-F979 AromaticContact CD2-CD2 3.56Å; Y938-F979 HydrophobicContact CD2-CD2 3.56Å; Y938-F979 HydrophobicContact CD2-CE2 4.04Å; Y938-F979 AromaticContact CD2-CG 3.68Å; Y938-F979 HydrophobicContact CD2-CG 3.68Å; Y938-F979 HydrophobicContact CE2-CB 3.76Å; Y938-F979 HydrophobicContact CE2-CD1 4.07Å; Y938-F979 HydrophobicContact CE2-CD2 4.14Å; Y938-F979 AromaticContact CE2-CG 3.75Å; Y938-F979 HydrophobicContact CE2-CG 3.75Å; L970-F979 HydrophobicContact CD1-CE2 4.24Å; L970-F979 HydrophobicContact CD1-CZ 4.11Å; I973-F979 HydrophobicContact CG2-CE1 3.86Å; I973-F979 HydrophobicContact CG2-CZ 4.04Å; A974-F979 HydrophobicContact CB-CD2 3.93Å; A974-F979 HydrophobicContact CB-CE1 4.28Å; A974-F979 HydrophobicContact CB-CE2 3.59Å; A974-F979 HydrophobicContact CB-CG 4.42Å; A974-F979 HydrophobicContact CB-CZ 3.78Å; A974-F979 PolarHBondContact O-N 3.45Å; A974-F979 VanDerWaalsContact O-N 3.09Å; L977-F979 HydrophobicContact CB-CD1 3.75Å; L977-F979 HydrophobicContact CB-CE1 3.98Å; L977-F979 HydrophobicContact CD1-CE1 4.17Å; F979-Y981 HydrophobicContact CD2-CD1 4.38Å; F979-Y981 AromaticContact CE2-CD1 4Å; F979-Y981 HydrophobicContact CE2-CD1 4Å; F979-I1014 HydrophobicContact CZ-CD1 4.38Å
980	T	88.9	Confident	82.9	Confident	85 Å²	85	71.6 Å²	71.6	52%	0.521	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	160.4	174.2	54.3	0	0	0	0	110	R936 H937 Y938	R936-T980 PolarHBondContact O-N 3.46Å; R936-T980 PolarHBondContact O-OG1 3.2Å; H937-T980 CarbonylContact C-O 3.56Å; H937-T980 VanDerWaalsContact CA-O 3.27Å; H937-T980 WeakPolarHBondContact CA-O 3.47Å; H937-T980 PolarHBondContact ND1-OG1 2.78Å; Y938-T980 PolarHBondContact N-O 2.87Å
981	Y	90	Very high	82.4	Confident	65 Å²	65	72.8 Å²	72.8	26%	0.255	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160	-176.1	62.5	-97.8	0	0	0	113.1	Y938 I940 L970 A974 F979 I983	Y938-Y981 WeakPolarHBondContact O-CA 3.44Å; Y938-Y981 WeakPolarHBondContact O-CB 3.33Å; I940-Y981 VanDerWaalsContact CD1-CB 3.41Å; I940-Y981 HydrophobicContact CD1-CD1 4.47Å; I940-Y981 HydrophobicContact CD1-CD2 3.92Å; I940-Y981 HydrophobicContact CD1-CG 3.7Å; L970-Y981 HydrophobicContact CD2-CD1 3.94Å; L970-Y981 HydrophobicContact CD2-CD2 3.65Å; L970-Y981 HydrophobicContact CD2-CE1 3.79Å; L970-Y981 HydrophobicContact CD2-CE2 3.51Å; L970-Y981 HydrophobicContact CD2-CG 3.87Å; L970-Y981 HydrophobicContact CG-CD1 4.19Å; L970-Y981 HydrophobicContact CG-CE1 3.95Å; A974-Y981 HydrophobicContact CB-CD1 3.83Å; A974-Y981 HydrophobicContact CB-CE1 3.72Å; F979-Y981 HydrophobicContact CD2-CD1 4.38Å; F979-Y981 AromaticContact CE2-CD1 4Å; F979-Y981 HydrophobicContact CE2-CD1 4Å; Y981-I983 HydrophobicContact CD2-CD1 4.15Å; Y981-I983 HydrophobicContact CD2-CG1 3.8Å; Y981-I983 HydrophobicContact CE2-CD1 3.67Å; Y981-I983 HydrophobicContact CE2-CG1 3.85Å
982	E	88.7	Confident	81.7	Confident	99 Å²	99	67.7 Å²	67.7	46%	0.463	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.3	165.8	64	177.5	-177.1	0	0	110.3	Y938 R939 I940	Y938-E982 PolarHBondContact O-N 3.01Å; Y938-E982 VanDerWaalsContact O-N 3.08Å; R939-E982 HydrophobicContact CB-CG 4.49Å; R939-E982 WeakPolarHBondContact CD-OE1 3.48Å; R939-E982 HydrophobicContact CG-CG 3.97Å; R939-E982 VanDerWaalsContact CG-OE1 3.25Å; R939-E982 WeakPolarHBondContact CG-OE1 2.99Å; I940-E982 WeakPolarHBondContact CA-O 3.14Å; I940-E982 WeakPolarHBondContact CB-O 3.03Å; I940-E982 PolarHBondContact N-O 2.93Å
983	I	87.8	Confident	81.1	Confident	44 Å²	44	67.3 Å²	67.3	23%	0.226	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.8	-179.8	-57.4	172.1	0	0	0	109.2	I940 A942 I967 L970 Y981 L1016	I940-I983 HydrophobicContact CB-CG1 4.15Å; I940-I983 HydrophobicContact CG2-CG1 4.34Å; I940-I983 VanDerWaalsContact O-CA 3.32Å; I940-I983 WeakPolarHBondContact O-CA 3.28Å; A942-I983 HydrophobicContact CB-CG2 3.84Å; I967-I983 HydrophobicContact CD1-CD1 4.35Å; I967-I983 HydrophobicContact CG1-CD1 4.23Å; I967-I983 HydrophobicContact CG2-CD1 4.46Å; L970-I983 HydrophobicContact CD2-CD1 4.16Å; L970-I983 HydrophobicContact CD2-CG1 4.47Å; Y981-I983 HydrophobicContact CD2-CD1 4.15Å; Y981-I983 HydrophobicContact CD2-CG1 3.8Å; Y981-I983 HydrophobicContact CE2-CD1 3.67Å; Y981-I983 HydrophobicContact CE2-CG1 3.85Å; I983-L1016 HydrophobicContact CD1-CD1 4.45Å
984	Y	88.3	Confident	80.5	Confident	68 Å²	68	65.4 Å²	65.4	27%	0.267	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150	166.9	65.1	-89.8	0	0	0	110.3	R939 I940 A941 A942 E1006 N1011 A1012	R939-Y984 HydrophobicContact CB-CE1 4.37Å; I940-Y984 WeakPolarHBondContact O-CD1 3.17Å; I940-Y984 PolarHBondContact O-N 3.13Å; A941-Y984 HydrophobicContact CB-CE1 4.34Å; A941-Y984 HydrophobicContact CB-CE2 3.81Å; A942-Y984 PolarHBondContact N-O 3.3Å; Y984-E1006 PolarHBondContact OH-OE2 2.72Å; Y984-N1011 PolarHBondContact OH-O 2.83Å; Y984-A1012 WeakPolarHBondContact OH-CB 3.4Å; Y984-A1012 PolarHBondContact OH-N 3.45Å
985	I	85.1	Confident	79.7	Confident	36 Å²	36	68.6 Å²	68.6	19%	0.185	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.1	-177.4	-63.9	-156	0	0	0	110.3	A942 E944 V949 Y962	A942-I985 HydrophobicContact CB-CG1 4.39Å; A942-I985 VanDerWaalsContact O-CA 3.29Å; A942-I985 WeakPolarHBondContact O-CA 3.47Å; E944-I985 HydrophobicContact CB-CD1 4.17Å; E944-I985 HydrophobicContact CB-CG2 4.37Å; V949-I985 HydrophobicContact CG1-CD1 4.09Å; Y962-I985 HydrophobicContact CD1-CD1 3.37Å; Y962-I985 HydrophobicContact CD1-CG1 4.33Å; Y962-I985 HydrophobicContact CD2-CD1 4.23Å; Y962-I985 HydrophobicContact CD2-CG1 4.37Å; Y962-I985 HydrophobicContact CE1-CD1 3.06Å; Y962-I985 HydrophobicContact CE1-CG1 3.89Å; Y962-I985 HydrophobicContact CE2-CD1 3.96Å; Y962-I985 HydrophobicContact CE2-CG1 3.89Å; Y962-I985 HydrophobicContact CG-CD1 3.95Å
986	L	81.9	Confident	78.3	Confident	25 Å²	25	68.9 Å²	68.9	13%	0.131	39%	0.391	C	S	.	.			trans	-71.6	137.2	171.7	-76.6	100	0	0	0	110.9	A941 A942 V943 E988 L1003 E1006	A941-L986 HydrophobicContact CB-CD1 3.92Å; A942-L986 PolarHBondContact O-N 2.79Å; V943-L986 HydrophobicContact CG2-CD1 4.4Å; L986-E988 VanDerWaalsContact C-N 3.26Å; L986-E988 PolarHBondContact O-N 2.02Å; L986-L1003 HydrophobicContact CD1-CD2 3.34Å; L986-L1003 HydrophobicContact CD1-CG 4Å; L986-E1006 HydrophobicContact CD1-CG 4.36Å; L986-E1006 HydrophobicContact CD2-CG 3.87Å; L986-E1006 HydrophobicContact CG-CG 4.37Å
987	P	73.5	Confident	77.1	Confident	136 Å²	136	69.9 Å²	69.9	88%	0.883	38%	0.384	S	S	*	.	S	Bend	trans	-66.7	-28.7	178.6	25.2	-32.1	0	0	0	112.9
988	E	69.1	Low	76.2	Confident	142 Å²	142	65.8 Å²	65.8	66%	0.664	37%	0.371	S	S	*	.	S	Bend	trans	-105.8	132.9	174.9	-63.1	-176.2	-179.8	0	0	109.5	L986 S990	L986-E988 VanDerWaalsContact C-N 3.26Å; L986-E988 PolarHBondContact O-N 2.02Å; E988-S990 PolarHBondContact O-N 3.47Å
989	S	69.6	Low	75.4	Confident	86 Å²	86	64.3 Å²	64.3	60%	0.601	36%	0.357	S	S	*	.			trans	-74	54.4	174.7	-55.8	0	0	0	0	111.7
990	S	76.4	Confident	74.9	Confident	12 Å²	12	63.7 Å²	63.7	8%	0.084	36%	0.355	C	S	.	.			trans	-100.7	130.2	174.7	-174	0	0	0	0	110.8	E988 D1001 G1002 L1003	E988-S990 PolarHBondContact O-N 3.47Å; S990-D1001 PolarHBondContact OG-OD1 2.7Å; S990-D1001 VanDerWaalsContact OG-OD1 3.05Å; S990-D1001 PolarHBondContact OG-OD2 3.32Å; S990-G1002 WeakPolarHBondContact O-CA 3.5Å; S990-L1003 PolarHBondContact O-N 2.97Å; S990-L1003 VanDerWaalsContact O-N 3.11Å
991	F	75.2	Confident	74.6	Confident	29 Å²	29	62.6 Å²	62.6	13%	0.127	35%	0.346	C	S	.	.			trans	-95.5	-20.4	-175.1	-69.8	-89.6	0	0	0	113.6	V943 E945 L1003 V1004 A1017 P1018 I1019	V943-F991 HydrophobicContact CG1-CE1 4.44Å; V943-F991 HydrophobicContact CG1-CZ 4.08Å; E945-F991 WeakPolarHBondContact OE2-CZ 3.49Å; F991-L1003 HydrophobicContact CD1-CD1 3.9Å; F991-L1003 HydrophobicContact CE1-CD1 4.44Å; F991-V1004 VanDerWaalsContact O-CG2 3.23Å; F991-V1004 WeakPolarHBondContact O-CG2 3.48Å; F991-V1004 PolarHBondContact O-N 2.96Å; F991-A1017 HydrophobicContact CD1-CB 4.11Å; F991-A1017 HydrophobicContact CE1-CB 3.65Å; F991-P1018 HydrophobicContact CE1-CG 4.03Å; F991-P1018 HydrophobicContact CZ-CG 4.07Å; F991-I1019 HydrophobicContact CB-CG1 4.48Å; F991-I1019 HydrophobicContact CD1-CB 4.04Å; F991-I1019 HydrophobicContact CD1-CG1 4.23Å
992	G	73	Confident	74.3	Confident	2 Å²	2	60 Å²	60	2%	0.021	34%	0.339	C	S	.	.			trans	133	82	-169.5	0	0	0	0	0	113.6	D1001 R1025	G992-D1001 VanDerWaalsContact CA-O 3.23Å; G992-D1001 WeakPolarHBondContact CA-O 3.3Å; G992-R1025 PolarHBondContact O-NE 2.92Å; G992-R1025 VanDerWaalsContact O-NE 3.07Å
993	Y	70.1	Confident	74.2	Confident	57 Å²	57	55.3 Å²	55.3	22%	0.224	32%	0.317	C	S	.	.			trans	-104.4	120.4	172.2	-68.2	-71.2	0	0	0	111.7	N995 V1000 D1001 G1141	Y993-N995 PolarHBondContact O-N 3.48Å; Y993-V1000 WeakPolarHBondContact O-CA 3.23Å; Y993-D1001 WeakPolarHBondContact CA-OD1 3.47Å; Y993-D1001 VanDerWaalsContact CB-OD1 3.29Å; Y993-D1001 WeakPolarHBondContact CB-OD1 3.07Å; Y993-D1001 PolarHBondContact N-OD1 3.04Å; Y993-D1001 PolarHBondContact O-N 2.9Å; Y993-G1141 WeakPolarHBondContact CE1-O 3.31Å; Y993-G1141 VanDerWaalsContact OH-CA 3.27Å; Y993-G1141 WeakPolarHBondContact OH-CA 3.5Å; Y993-G1141 PolarHBondContact OH-O 3.23Å
994	V	70.6	Confident	74.1	Confident	31 Å²	31	53.2 Å²	53.2	19%	0.188	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-76.7	115.3	167.1	-170.5	0	0	0	0	108.5	R999 V1000 D1024 F1028	V994-R999 CarbonylContact C-O 3.59Å; V994-R999 VanDerWaalsContact CA-O 3.28Å; V994-R999 WeakPolarHBondContact CA-O 3.31Å; V994-V1000 HydrophobicContact CG2-CB 4.33Å; V994-V1000 HydrophobicContact CG2-CG2 4Å; V994-D1024 HydrophobicContact CG2-CB 3.86Å; V994-F1028 HydrophobicContact CG1-CE2 4.46Å; V994-F1028 HydrophobicContact CG1-CZ 4.36Å; V994-F1028 HydrophobicContact CG2-CD2 4.24Å; V994-F1028 HydrophobicContact CG2-CE2 3.47Å; V994-F1028 VanDerWaalsContact CG2-CE2 3.47Å; V994-F1028 HydrophobicContact CG2-CZ 4.08Å
995	N	68.5	Low	73.8	Confident	75 Å²	75	50.9 Å²	50.9	40%	0.401	30%	0.3	S	S	.	.			trans	-76	172.8	173.9	69.9	17.6	0	0	0	111.2	Y993 I997 G998 R999	Y993-N995 PolarHBondContact O-N 3.48Å; N995-I997 PolarHBondContact O-N 3.12Å; N995-I997 WeakPolarHBondContact OD1-CA 3.41Å; N995-I997 WeakPolarHBondContact OD1-CB 3.39Å; N995-I997 PolarHBondContact OD1-N 3.05Å; N995-G998 PolarHBondContact O-N 3.36Å; N995-G998 PolarHBondContact OD1-N 3.01Å; N995-R999 PolarHBondContact N-O 3.14Å; N995-R999 PolarHBondContact OD1-N 3.24Å; N995-R999 PolarHBondContact OD1-O 3.42Å
996	A	55.1	Low	73.7	Confident	115 Å²	115	51.3 Å²	51.3	95%	0.95	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-11	-179.1	0	0	0	0	0	114.8
997	I	55	Low	73.8	Confident	106 Å²	106	52 Å²	52	54%	0.544	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.6	-180	-44.7	173.4	0	0	0	110.4	N995	N995-I997 PolarHBondContact O-N 3.12Å; N995-I997 WeakPolarHBondContact OD1-CA 3.41Å; N995-I997 WeakPolarHBondContact OD1-CB 3.39Å; N995-I997 PolarHBondContact OD1-N 3.05Å
998	G	62.9	Low	74	Confident	36 Å²	36	48.4 Å²	48.4	37%	0.371	28%	0.276	S	S	.	.	S	Bend	trans	80.7	14	-178	0	0	0	0	0	114.1	N995	N995-G998 PolarHBondContact O-N 3.36Å; N995-G998 PolarHBondContact OD1-N 3.01Å
999	R	67.9	Low	74.2	Confident	81 Å²	81	43 Å²	43	31%	0.306	25%	0.252	S	S	.	.			trans	-95	141.1	176.2	-60	-175.3	173.5	-178.1	-6.5	110.9	F923 V994 N995	F923-R999 VanDerWaalsContact CE2-NH2 3.26Å; V994-R999 CarbonylContact C-O 3.59Å; V994-R999 VanDerWaalsContact CA-O 3.28Å; V994-R999 WeakPolarHBondContact CA-O 3.31Å; N995-R999 PolarHBondContact N-O 3.14Å; N995-R999 PolarHBondContact OD1-N 3.24Å; N995-R999 PolarHBondContact OD1-O 3.42Å
1000	V	74.6	Confident	74.4	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.042	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-105	137.5	178.5	81.4	0	0	0	0	111.2	Y993 V994 V1004 S1005 F1028	Y993-V1000 WeakPolarHBondContact O-CA 3.23Å; V994-V1000 HydrophobicContact CG2-CB 4.33Å; V994-V1000 HydrophobicContact CG2-CG2 4Å; V1000-V1004 HydrophobicContact CB-CG1 4.28Å; V1000-V1004 HydrophobicContact CG1-CB 4.38Å; V1000-V1004 HydrophobicContact CG1-CG1 3.8Å; V1000-V1004 HydrophobicContact CG2-CB 3.86Å; V1000-V1004 HydrophobicContact CG2-CG1 3.58Å; V1000-S1005 WeakPolarHBondContact O-CB 3.23Å; V1000-S1005 PolarHBondContact O-OG 2.74Å; V1000-F1028 HydrophobicContact CB-CD1 4.37Å; V1000-F1028 HydrophobicContact CB-CD2 4.38Å; V1000-F1028 HydrophobicContact CB-CE1 4.41Å; V1000-F1028 HydrophobicContact CB-CE2 4.44Å; V1000-F1028 HydrophobicContact CB-CG 4.36Å; V1000-F1028 HydrophobicContact CB-CZ 4.45Å; V1000-F1028 HydrophobicContact CG1-CB 4.47Å; V1000-F1028 HydrophobicContact CG1-CD1 3.99Å; V1000-F1028 HydrophobicContact CG1-CE1 4.41Å; V1000-F1028 HydrophobicContact CG1-CG 4.09Å; V1000-F1028 HydrophobicContact CG2-CD2 4.49Å
1001	D	82.4	Confident	74.5	Confident	62 Å²	62	42.6 Å²	42.6	33%	0.332	25%	0.248	S	C	.	.			trans	-104.7	-174.1	176.3	75.3	-17.8	0	0	0	112.1	S990 G992 Y993 S1005	S990-D1001 PolarHBondContact OG-OD1 2.7Å; S990-D1001 VanDerWaalsContact OG-OD1 3.05Å; S990-D1001 PolarHBondContact OG-OD2 3.32Å; G992-D1001 VanDerWaalsContact CA-O 3.23Å; G992-D1001 WeakPolarHBondContact CA-O 3.3Å; Y993-D1001 WeakPolarHBondContact CA-OD1 3.47Å; Y993-D1001 VanDerWaalsContact CB-OD1 3.29Å; Y993-D1001 WeakPolarHBondContact CB-OD1 3.07Å; Y993-D1001 PolarHBondContact N-OD1 3.04Å; Y993-D1001 PolarHBondContact O-N 2.9Å; D1001-S1005 VanDerWaalsContact C-CB 3.41Å; D1001-S1005 WeakPolarHBondContact O-CB 3.2Å; D1001-S1005 PolarHBondContact O-N 3.47Å; D1001-S1005 VanDerWaalsContact O-N 3.17Å
1002	G	85.1	Confident	75	Confident	11 Å²	11	41.3 Å²	41.3	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	63.2	-152.3	171.3	0	0	0	0	0	115.6	S990 V1004 S1005 E1006	S990-G1002 WeakPolarHBondContact O-CA 3.5Å; G1002-V1004 VanDerWaalsContact C-N 3.27Å; G1002-V1004 PolarHBondContact O-N 3.05Å; G1002-S1005 VanDerWaalsContact O-CB 3.28Å; G1002-S1005 WeakPolarHBondContact O-CB 3.23Å; G1002-S1005 PolarHBondContact O-N 3.05Å; G1002-E1006 PolarHBondContact O-N 3.16Å
1003	L	86.5	Confident	75.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.3	-39.2	-178.9	-73.2	166.5	0	0	0	113.7	A941 V943 L986 S990 F991 S1005 E1006 L1007 A1015 A1017 I1019	A941-L1003 HydrophobicContact CB-CD2 3.66Å; V943-L1003 HydrophobicContact CB-CD1 4.23Å; V943-L1003 HydrophobicContact CG2-CD1 3.58Å; V943-L1003 HydrophobicContact CG2-CD2 4.1Å; V943-L1003 HydrophobicContact CG2-CG 3.72Å; L986-L1003 HydrophobicContact CD1-CD2 3.34Å; L986-L1003 HydrophobicContact CD1-CG 4Å; S990-L1003 PolarHBondContact O-N 2.97Å; S990-L1003 VanDerWaalsContact O-N 3.11Å; F991-L1003 HydrophobicContact CD1-CD1 3.9Å; F991-L1003 HydrophobicContact CE1-CD1 4.44Å; L1003-S1005 VanDerWaalsContact C-N 3.31Å; L1003-E1006 PolarHBondContact O-N 3.43Å; L1003-L1007 WeakPolarHBondContact O-CG 3.19Å; L1003-L1007 PolarHBondContact O-N 2.95Å; L1003-A1015 HydrophobicContact CB-CB 4.29Å; L1003-A1015 HydrophobicContact CD2-CB 4.05Å; L1003-A1017 HydrophobicContact CD1-CB 3.34Å; L1003-I1019 HydrophobicContact CB-CD1 4.33Å; L1003-I1019 HydrophobicContact CD1-CD1 4.46Å
1004	V	84.4	Confident	76.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.7	-35.6	178.9	175.5	0	0	0	0	110.6	F991 V1000 G1002 L1007 H1008 I1019 R1025 F1028 V1029	F991-V1004 VanDerWaalsContact O-CG2 3.23Å; F991-V1004 WeakPolarHBondContact O-CG2 3.48Å; F991-V1004 PolarHBondContact O-N 2.96Å; V1000-V1004 HydrophobicContact CB-CG1 4.28Å; V1000-V1004 HydrophobicContact CG1-CB 4.38Å; V1000-V1004 HydrophobicContact CG1-CG1 3.8Å; V1000-V1004 HydrophobicContact CG2-CB 3.86Å; V1000-V1004 HydrophobicContact CG2-CG1 3.58Å; G1002-V1004 VanDerWaalsContact C-N 3.27Å; G1002-V1004 PolarHBondContact O-N 3.05Å; V1004-L1007 PolarHBondContact O-N 2.95Å; V1004-H1008 WeakPolarHBondContact O-CB 3.48Å; V1004-H1008 PolarHBondContact O-N 3.48Å; V1004-I1019 HydrophobicContact CG2-CD1 3.95Å; V1004-R1025 HydrophobicContact CG2-CB 3.96Å; V1004-R1025 HydrophobicContact CG2-CG 3.79Å; V1004-F1028 HydrophobicContact CG1-CB 3.71Å; V1004-F1028 HydrophobicContact CG1-CG 4.39Å; V1004-V1029 HydrophobicContact CG1-CG1 3.93Å; V1004-V1029 HydrophobicContact CG1-CG2 4.05Å; V1004-V1029 HydrophobicContact CG2-CG2 4.06Å
1005	S	82.7	Confident	77.1	Confident	20 Å²	20	42 Å²	42	14%	0.14	25%	0.25	C	S	.	.	H	α-helix	trans	-63.1	-47.7	171.9	-156.5	0	0	0	0	111.6	V1000 D1001 G1002 L1003 L1007 H1008 N1009	V1000-S1005 WeakPolarHBondContact O-CB 3.23Å; V1000-S1005 PolarHBondContact O-OG 2.74Å; D1001-S1005 VanDerWaalsContact C-CB 3.41Å; D1001-S1005 WeakPolarHBondContact O-CB 3.2Å; D1001-S1005 PolarHBondContact O-N 3.47Å; D1001-S1005 VanDerWaalsContact O-N 3.17Å; G1002-S1005 VanDerWaalsContact O-CB 3.28Å; G1002-S1005 WeakPolarHBondContact O-CB 3.23Å; G1002-S1005 PolarHBondContact O-N 3.05Å; L1003-S1005 VanDerWaalsContact C-N 3.31Å; S1005-L1007 VanDerWaalsContact C-N 3.27Å; S1005-L1007 PolarHBondContact O-N 2.84Å; S1005-H1008 PolarHBondContact O-N 3.43Å; S1005-N1009 VanDerWaalsContact O-CB 3.28Å; S1005-N1009 WeakPolarHBondContact O-CB 3.4Å; S1005-N1009 PolarHBondContact O-N 3.28Å; S1005-N1009 PolarHBondContact O-ND2 3.36Å; S1005-N1009 VanDerWaalsContact O-ND2 3.13Å; S1005-N1009 PolarHBondContact O-OD1 3.46Å; S1005-N1009 PolarHBondContact OG-ND2 3.31Å
1006	E	84.4	Confident	77.9	Confident	44 Å²	44	39.3 Å²	39.3	21%	0.206	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-38	179.4	-68.7	-59.6	122.4	0	0	112.6	A941 Y984 L986 G1002 L1003 G1010 N1011 A1012	A941-E1006 HydrophobicContact CB-CB 4.32Å; Y984-E1006 PolarHBondContact OH-OE2 2.72Å; L986-E1006 HydrophobicContact CD1-CG 4.36Å; L986-E1006 HydrophobicContact CD2-CG 3.87Å; L986-E1006 HydrophobicContact CG-CG 4.37Å; G1002-E1006 PolarHBondContact O-N 3.16Å; L1003-E1006 PolarHBondContact O-N 3.43Å; E1006-G1010 PolarHBondContact O-N 2.93Å; E1006-N1011 HydrophobicContact CB-CB 4.44Å; E1006-N1011 WeakPolarHBondContact O-CB 3.33Å; E1006-N1011 PolarHBondContact O-N 2.66Å; E1006-N1011 PolarHBondContact OE1-ND2 2.79Å; E1006-N1011 WeakPolarHBondContact OE2-CB 3.09Å; E1006-N1011 PolarHBondContact OE2-ND2 3.11Å; E1006-A1012 HydrophobicContact CB-CB 4.09Å; E1006-A1012 PolarHBondContact O-N 3.46Å
1007	L	82.9	Confident	79	Confident	41 Å²	41	34.3 Å²	34.3	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-70.3	-47.4	173.9	-77.2	174.4	0	0	0	112.3	L1003 V1004 S1005 N1009 G1010 A1012 A1015 V1029	L1003-L1007 WeakPolarHBondContact O-CG 3.19Å; L1003-L1007 PolarHBondContact O-N 2.95Å; V1004-L1007 PolarHBondContact O-N 2.95Å; S1005-L1007 VanDerWaalsContact C-N 3.27Å; S1005-L1007 PolarHBondContact O-N 2.84Å; L1007-N1009 VanDerWaalsContact C-N 3.33Å; L1007-N1009 PolarHBondContact O-N 2.98Å; L1007-G1010 PolarHBondContact O-N 3.21Å; L1007-G1010 VanDerWaalsContact O-N 3.09Å; L1007-A1012 HydrophobicContact CD2-CB 4Å; L1007-A1012 HydrophobicContact CG-CB 4.41Å; L1007-A1015 HydrophobicContact CD1-CB 3.59Å; L1007-A1015 HydrophobicContact CD2-CB 4.4Å; L1007-A1015 HydrophobicContact CG-CB 4.06Å; L1007-V1029 HydrophobicContact CB-CG1 3.49Å; L1007-V1029 VanDerWaalsContact CB-CG1 3.49Å; L1007-V1029 HydrophobicContact CD1-CB 4.27Å; L1007-V1029 HydrophobicContact CD1-CG1 3.98Å; L1007-V1029 HydrophobicContact CD1-CG2 4.41Å; L1007-V1029 HydrophobicContact CG-CG1 4.41Å
1008	H	78.6	Confident	79.9	Confident	59 Å²	59	30.4 Å²	30.4	27%	0.273	18%	0.176	S	C	.	.	H	α-helix	trans	-63.3	-39.9	-177.5	-174.6	70.1	0	0	0	111.9	Y924 V1004 S1005 G1010 F1028	Y924-H1008 AromaticContact CD1-CD2 3.47Å; Y924-H1008 VanDerWaalsContact CD1-CD2 3.47Å; Y924-H1008 WeakPolarHBondContact CD1-CD2 3.4Å; Y924-H1008 AromaticContact CD1-NE2 3.8Å; Y924-H1008 AromaticContact CE1-CD2 3.62Å; Y924-H1008 AromaticContact CG-NE2 3.96Å; V1004-H1008 WeakPolarHBondContact O-CB 3.48Å; V1004-H1008 PolarHBondContact O-N 3.48Å; S1005-H1008 PolarHBondContact O-N 3.43Å; H1008-G1010 PolarHBondContact O-N 3.14Å; H1008-F1028 HydrophobicContact CB-CB 4.37Å; H1008-F1028 AromaticContact CE1-CD1 3.82Å; H1008-F1028 AromaticContact ND1-CD1 3.87Å; H1008-F1028 PolarHBondContact ND1-O 3.06Å; H1008-F1028 AromaticContact NE2-CD1 3.99Å
1009	N	72.8	Confident	80.5	Confident	29 Å²	29	30.4 Å²	30.4	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.6	177.3	-56.5	-16.2	0	0	0	112.8	Y924 S1005 L1007 N1011	Y924-N1009 WeakPolarHBondContact CD1-OD1 3.44Å; S1005-N1009 VanDerWaalsContact O-CB 3.28Å; S1005-N1009 WeakPolarHBondContact O-CB 3.4Å; S1005-N1009 PolarHBondContact O-N 3.28Å; S1005-N1009 PolarHBondContact O-ND2 3.36Å; S1005-N1009 VanDerWaalsContact O-ND2 3.13Å; S1005-N1009 PolarHBondContact O-OD1 3.46Å; S1005-N1009 PolarHBondContact OG-ND2 3.31Å; L1007-N1009 VanDerWaalsContact C-N 3.33Å; L1007-N1009 PolarHBondContact O-N 2.98Å; N1009-N1011 VanDerWaalsContact C-N 3.28Å; N1009-N1011 PolarHBondContact O-N 3.26Å
1010	G	73.5	Confident	80.5	Confident	25 Å²	25	29.4 Å²	29.4	26%	0.258	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	9.7	-175.8	0	0	0	0	0	115.3	R939 E1006 L1007 H1008 A1012	R939-G1010 PolarHBondContact NH2-O 3.21Å; E1006-G1010 PolarHBondContact O-N 2.93Å; L1007-G1010 PolarHBondContact O-N 3.21Å; L1007-G1010 VanDerWaalsContact O-N 3.09Å; H1008-G1010 PolarHBondContact O-N 3.14Å; G1010-A1012 VanDerWaalsContact C-N 3.33Å
1011	N	78.6	Confident	80.3	Confident	65 Å²	65	32.3 Å²	32.3	35%	0.348	18%	0.184	S	C	.	.	S	Bend	trans	-66.3	-38.7	173.4	-67.9	-19.1	0	0	0	111.2	R939 Y984 E1006 N1009	R939-N1011 PolarHBondContact NE-O 3.09Å; Y984-N1011 PolarHBondContact OH-O 2.83Å; E1006-N1011 HydrophobicContact CB-CB 4.44Å; E1006-N1011 WeakPolarHBondContact O-CB 3.33Å; E1006-N1011 PolarHBondContact O-N 2.66Å; E1006-N1011 PolarHBondContact OE1-ND2 2.79Å; E1006-N1011 WeakPolarHBondContact OE2-CB 3.09Å; E1006-N1011 PolarHBondContact OE2-ND2 3.11Å; N1009-N1011 VanDerWaalsContact C-N 3.28Å; N1009-N1011 PolarHBondContact O-N 3.26Å
1012	A	84.8	Confident	79.4	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.017	18%	0.176	C	C	.	.			trans	-108.9	151.9	170.6	0	0	0	0	0	110.3	A941 Y984 E1006 L1007 G1010	A941-A1012 HydrophobicContact CB-CB 3.64Å; Y984-A1012 WeakPolarHBondContact OH-CB 3.4Å; Y984-A1012 PolarHBondContact OH-N 3.45Å; E1006-A1012 HydrophobicContact CB-CB 4.09Å; E1006-A1012 PolarHBondContact O-N 3.46Å; L1007-A1012 HydrophobicContact CD2-CB 4Å; L1007-A1012 HydrophobicContact CG-CB 4.41Å; G1010-A1012 VanDerWaalsContact C-N 3.33Å
1013	H	84.1	Confident	78.2	Confident	29 Å²	29	31.7 Å²	31.7	13%	0.134	18%	0.178	C	C	.	.	S	Bend	trans	-105.2	-27.4	171.1	-48.9	147.6	0	0	0	111.7	L928 Y938 R939	L928-H1013 HydrophobicContact CD2-CB 4.28Å; Y938-H1013 WeakPolarHBondContact CA-ND1 2.96Å; Y938-H1013 HydrophobicContact CD1-CB 3.86Å; Y938-H1013 AromaticContact CD1-ND1 3.84Å; Y938-H1013 HydrophobicContact CG-CB 4.42Å; R939-H1013 PolarHBondContact N-ND1 3.17Å; R939-H1013 PolarHBondContact O-N 3.11Å
1014	I	86.6	Confident	77.1	Confident	52 Å²	52	32.2 Å²	32.2	27%	0.267	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.5	176.1	-56.1	175.2	0	0	0	107.9	Y938 R939 I940 A941 F979	Y938-I1014 HydrophobicContact CD2-CD1 4.35Å; Y938-I1014 HydrophobicContact CG-CD1 4.33Å; R939-I1014 PolarHBondContact O-N 3.5Å; I940-I1014 CarbonylContact C-O 3.2Å; I940-I1014 VanDerWaalsContact CA-O 3.23Å; I940-I1014 WeakPolarHBondContact CA-O 3.41Å; I940-I1014 HydrophobicContact CD1-CB 4.4Å; I940-I1014 HydrophobicContact CD1-CD1 4.39Å; I940-I1014 HydrophobicContact CG1-CB 4.12Å; I940-I1014 HydrophobicContact CG2-CB 4.48Å; A941-I1014 PolarHBondContact N-O 3.39Å; F979-I1014 HydrophobicContact CZ-CD1 4.38Å
1015	A	88.1	Confident	76.6	Confident	22 Å²	22	32.8 Å²	32.8	18%	0.182	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.7	170.3	0	0	0	0	0	110.6	A941 L1003 L1007	A941-A1015 CarbonylContact O-C 3.5Å; A941-A1015 VanDerWaalsContact O-CA 3.28Å; A941-A1015 WeakPolarHBondContact O-CA 3.07Å; L1003-A1015 HydrophobicContact CB-CB 4.29Å; L1003-A1015 HydrophobicContact CD2-CB 4.05Å; L1007-A1015 HydrophobicContact CD1-CB 3.59Å; L1007-A1015 HydrophobicContact CD2-CB 4.4Å; L1007-A1015 HydrophobicContact CG-CB 4.06Å
1016	L	84.1	Confident	75.9	Confident	19 Å²	19	35.3 Å²	35.3	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	105.8	172.9	-72.4	-174.8	0	0	0	110.6	I940 A941 A942 V943 C966 I967 L970 I983	I940-L1016 HydrophobicContact CG2-CB 4.17Å; I940-L1016 HydrophobicContact CG2-CD1 3.86Å; I940-L1016 HydrophobicContact CG2-CG 3.62Å; A941-L1016 PolarHBondContact O-N 2.97Å; A942-L1016 WeakPolarHBondContact CA-O 3.32Å; A942-L1016 HydrophobicContact CB-CB 4.25Å; A942-L1016 WeakPolarHBondContact CB-O 3.35Å; V943-L1016 PolarHBondContact N-O 3.23Å; C966-L1016 HydrophobicContact CB-CB 4.34Å; C966-L1016 HydrophobicContact CB-CD2 4.23Å; I967-L1016 HydrophobicContact CG1-CD1 4.43Å; L970-L1016 HydrophobicContact CB-CD1 3.86Å; L970-L1016 HydrophobicContact CB-CD2 4.27Å; L970-L1016 HydrophobicContact CD2-CD1 3.5Å; L970-L1016 VanDerWaalsContact CD2-CD1 3.5Å; L970-L1016 HydrophobicContact CD2-CG 4.44Å; L970-L1016 HydrophobicContact CG-CD1 4.14Å; I983-L1016 HydrophobicContact CD1-CD1 4.45Å
1017	A	78.6	Confident	75	Confident	11 Å²	11	36.2 Å²	36.2	9%	0.091	20%	0.199	C	C	.	.	S	Bend	trans	-161.6	172.5	173.5	0	0	0	0	0	108.7	V943 F991 L1003 I1019	V943-A1017 HydrophobicContact CB-CB 4.07Å; F991-A1017 HydrophobicContact CD1-CB 4.11Å; F991-A1017 HydrophobicContact CE1-CB 3.65Å; L1003-A1017 HydrophobicContact CD1-CB 3.34Å; A1017-I1019 HydrophobicContact CB-CB 4.36Å; A1017-I1019 PolarHBondContact O-N 2.93Å
1018	P	74.1	Confident	74.4	Confident	24 Å²	24	35.7 Å²	35.7	16%	0.156	20%	0.195	C	C	.	.	S	Bend	trans	-70.6	45.9	163.2	31.8	-35.5	0	0	0	111.7	E945 F948 F991 E1020	E945-P1018 HydrophobicContact CB-CG 4.2Å; E945-P1018 HydrophobicContact CG-CG 4.32Å; E945-P1018 WeakPolarHBondContact OE2-CG 3.46Å; F948-P1018 HydrophobicContact CD1-CB 4.34Å; F948-P1018 HydrophobicContact CD2-CB 3.67Å; F948-P1018 HydrophobicContact CD2-CG 3.86Å; F948-P1018 HydrophobicContact CE1-CB 4.4Å; F948-P1018 HydrophobicContact CE2-CB 3.74Å; F948-P1018 HydrophobicContact CE2-CG 4.3Å; F948-P1018 HydrophobicContact CG-CB 3.99Å; F948-P1018 HydrophobicContact CG-CG 4.28Å; F948-P1018 HydrophobicContact CZ-CB 4.11Å; F991-P1018 HydrophobicContact CE1-CG 4.03Å; F991-P1018 HydrophobicContact CZ-CG 4.07Å; P1018-E1020 PolarHBondContact O-N 3.28Å
1019	I	75.3	Confident	74.2	Confident	35 Å²	35	33.6 Å²	33.6	18%	0.179	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-71.9	123.3	-179.7	-168.2	172.5	0	0	0	109.3	F991 L1003 V1004 A1017 F1031	F991-I1019 HydrophobicContact CB-CG1 4.48Å; F991-I1019 HydrophobicContact CD1-CB 4.04Å; F991-I1019 HydrophobicContact CD1-CG1 4.23Å; L1003-I1019 HydrophobicContact CB-CD1 4.33Å; L1003-I1019 HydrophobicContact CD1-CD1 4.46Å; V1004-I1019 HydrophobicContact CG2-CD1 3.95Å; A1017-I1019 HydrophobicContact CB-CB 4.36Å; A1017-I1019 PolarHBondContact O-N 2.93Å; I1019-F1031 HydrophobicContact CD1-CE1 4.03Å; I1019-F1031 HydrophobicContact CD1-CZ 4.24Å; I1019-F1031 HydrophobicContact CG1-CE1 4.01Å; I1019-F1031 HydrophobicContact CG1-CZ 4.43Å; I1019-F1031 HydrophobicContact CG2-CE1 4.23Å
1020	E	69.3	Low	74.2	Confident	61 Å²	61	40.1 Å²	40.1	29%	0.285	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-83.7	145.3	172.9	-73.4	165.8	-95.4	0	0	111.2	P1018 S1022 R1025 A1143 K1228	P1018-E1020 PolarHBondContact O-N 3.28Å; E1020-S1022 PolarHBondContact O-N 3.46Å; E1020-R1025 PolarHBondContact O-NH1 3.02Å; E1020-A1143 WeakPolarHBondContact OE1-CB 3.43Å; E1020-A1143 WeakPolarHBondContact OE2-CB 3.35Å; E1020-K1228 VanDerWaalsContact CG-NZ 3.33Å; E1020-K1228 WeakPolarHBondContact OE1-CE 3.44Å; E1020-K1228 IonicContact OE1-NZ 2.73Å; E1020-K1228 PolarHBondContact OE1-NZ 2.96Å; E1020-K1228 VanDerWaalsContact OE2-CE 3.25Å; E1020-K1228 WeakPolarHBondContact OE2-CE 3.21Å; E1020-K1228 IonicContact OE2-NZ 3.2Å
1021	T	68.5	Low	74	Confident	67 Å²	67	41.7 Å²	41.7	41%	0.411	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-61	127	159.2	51.4	0	0	0	0	107.7	F1031	T1021-F1031 HydrophobicContact CG2-CB 3.63Å; T1021-F1031 HydrophobicContact CG2-CD1 3.75Å; T1021-F1031 HydrophobicContact CG2-CD2 4.11Å; T1021-F1031 HydrophobicContact CG2-CE1 4.42Å; T1021-F1031 HydrophobicContact CG2-CG 3.56Å
1022	S	63.6	Low	73.6	Confident	24 Å²	24	44 Å²	44	17%	0.168	24%	0.237	C	C	.	.			trans	-142.4	145.6	169.3	69.3	0	0	0	0	106.5	E1020 D1024 R1025 E1026	E1020-S1022 PolarHBondContact O-N 3.46Å; S1022-D1024 VanDerWaalsContact C-N 3.26Å; S1022-D1024 PolarHBondContact O-N 2.97Å; S1022-D1024 VanDerWaalsContact O-N 3.17Å; S1022-R1025 PolarHBondContact O-N 3.09Å; S1022-R1025 VanDerWaalsContact OG-CD 3.3Å; S1022-R1025 WeakPolarHBondContact OG-CD 3.25Å; S1022-R1025 WeakPolarHBondContact OG-CG 3.5Å; S1022-E1026 PolarHBondContact O-N 3.27Å; S1022-E1026 VanDerWaalsContact O-N 3.1Å
1023	F	60.8	Low	72.6	Confident	37 Å²	37	53.7 Å²	53.7	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-47	-49.8	-178.5	174.9	-89.3	0	0	0	112.8	E497 V500 M501 R1025 E1026 L1027	E497-F1023 HydrophobicContact CB-CZ 4.18Å; E497-F1023 HydrophobicContact CG-CE1 3.38Å; E497-F1023 HydrophobicContact CG-CZ 3.38Å; E497-F1023 VanDerWaalsContact O-CZ 3.22Å; E497-F1023 WeakPolarHBondContact O-CZ 3.22Å; V500-F1023 HydrophobicContact CB-CD2 4.45Å; V500-F1023 HydrophobicContact CB-CE2 3.7Å; V500-F1023 HydrophobicContact CG1-CD2 3.91Å; V500-F1023 HydrophobicContact CG1-CE2 3.55Å; M501-F1023 HydrophobicContact CE-CD1 3.27Å; M501-F1023 HydrophobicContact CE-CE1 3.41Å; M501-F1023 VanDerWaalsContact CE-CE1 3.41Å; M501-F1023 HydrophobicContact CE-CG 4.36Å; M501-F1023 HydrophobicContact CG-CD1 3.5Å; M501-F1023 VanDerWaalsContact CG-CD1 3.5Å; M501-F1023 HydrophobicContact CG-CD2 4.26Å; M501-F1023 HydrophobicContact CG-CE1 3.29Å; M501-F1023 HydrophobicContact CG-CE2 4.09Å; M501-F1023 HydrophobicContact CG-CG 3.99Å; M501-F1023 HydrophobicContact CG-CZ 3.62Å; M501-F1023 HydrophobicContact SD-CB 4.28Å; M501-F1023 HydrophobicContact SD-CD1 3.1Å; M501-F1023 WeakPolarHBondContact SD-CD1 2.96Å; M501-F1023 HydrophobicContact SD-CD2 4.45Å; M501-F1023 HydrophobicContact SD-CE1 3.54Å; M501-F1023 VanDerWaalsContact SD-CE1 3.54Å; M501-F1023 HydrophobicContact SD-CG 3.64Å; M501-F1023 HydrophobicContact SD-CZ 4.37Å; F1023-R1025 PolarHBondContact O-N 3.31Å; F1023-R1025 VanDerWaalsContact O-N 3.1Å; F1023-E1026 PolarHBondContact O-N 2.77Å; F1023-L1027 HydrophobicContact CD1-CD1 4.48Å; F1023-L1027 HydrophobicContact CE1-CD1 3.68Å; F1023-L1027 HydrophobicContact CE1-CD2 4.38Å; F1023-L1027 HydrophobicContact CE1-CG 4.06Å; F1023-L1027 HydrophobicContact CZ-CD1 4.04Å; F1023-L1027 HydrophobicContact CZ-CD2 3.88Å; F1023-L1027 HydrophobicContact CZ-CG 4.01Å; F1023-L1027 PolarHBondContact O-N 2.71Å
1024	D	64.1	Low	71.4	Confident	11 Å²	11	55.6 Å²	55.6	6%	0.059	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-18.4	-176.4	-51.5	-100.6	0	0	0	113.4	V994 S1022 F1028 R1146 R1150	V994-D1024 HydrophobicContact CG2-CB 3.86Å; S1022-D1024 VanDerWaalsContact C-N 3.26Å; S1022-D1024 PolarHBondContact O-N 2.97Å; S1022-D1024 VanDerWaalsContact O-N 3.17Å; D1024-F1028 WeakPolarHBondContact O-CD2 3.36Å; D1024-F1028 VanDerWaalsContact O-CE2 3.25Å; D1024-F1028 WeakPolarHBondContact O-CE2 3.38Å; D1024-R1146 VanDerWaalsContact CG-CZ 3.47Å; D1024-R1146 IonicContact OD1-CZ 3.24Å; D1024-R1146 IonicContact OD1-NE 2.84Å; D1024-R1146 IonicContact OD1-NH2 2.74Å; D1024-R1146 PolarHBondContact OD1-NH2 2.8Å; D1024-R1146 IonicContact OD2-CZ 3.92Å; D1024-R1146 IonicContact OD2-NE 3.04Å; D1024-R1146 PolarHBondContact OD2-NE 2.87Å; D1024-R1146 IonicContact OD2-NH2 2.81Å; D1024-R1146 PolarHBondContact OD2-NH2 3.43Å; D1024-R1150 IonicContact OD1-NH2 3.11Å; D1024-R1150 PolarHBondContact OD1-NH2 3.23Å; D1024-R1150 IonicContact OD2-NH2 3.89Å
1025	R	72.6	Confident	70.1	Confident	11 Å²	11	57.3 Å²	57.3	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-89.9	-35.7	176.9	-63.5	176.5	-177.8	158	1.3	111.4	G992 V1004 E1020 S1022 F1023 L1027 F1028 V1029 F1031	G992-R1025 PolarHBondContact O-NE 2.92Å; G992-R1025 VanDerWaalsContact O-NE 3.07Å; V1004-R1025 HydrophobicContact CG2-CB 3.96Å; V1004-R1025 HydrophobicContact CG2-CG 3.79Å; E1020-R1025 PolarHBondContact O-NH1 3.02Å; S1022-R1025 PolarHBondContact O-N 3.09Å; S1022-R1025 VanDerWaalsContact OG-CD 3.3Å; S1022-R1025 WeakPolarHBondContact OG-CD 3.25Å; S1022-R1025 WeakPolarHBondContact OG-CG 3.5Å; F1023-R1025 PolarHBondContact O-N 3.31Å; F1023-R1025 VanDerWaalsContact O-N 3.1Å; R1025-L1027 PolarHBondContact O-N 2.76Å; R1025-F1028 PolarHBondContact O-N 2.82Å; R1025-V1029 WeakPolarHBondContact O-CG2 3.4Å; R1025-V1029 PolarHBondContact O-N 2.78Å; R1025-F1031 HydrophobicContact CB-CE2 3.7Å; R1025-F1031 HydrophobicContact CB-CZ 3.69Å
1026	E	69.5	Low	68.5	Low	74 Å²	74	60.7 Å²	60.7	35%	0.346	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-24.2	176.9	-80.8	178.3	-168.6	0	0	113	S1022 F1023 F1028 V1029 F1031	S1022-E1026 PolarHBondContact O-N 3.27Å; S1022-E1026 VanDerWaalsContact O-N 3.1Å; F1023-E1026 PolarHBondContact O-N 2.77Å; E1026-F1028 PolarHBondContact O-N 2.92Å; E1026-V1029 WeakPolarHBondContact CA-O 3.32Å; E1026-F1031 HydrophobicContact CG-CD2 3.57Å; E1026-F1031 HydrophobicContact CG-CE2 3.86Å
1027	L	65.6	Low	66.7	Low	63 Å²	63	65.6 Å²	65.6	33%	0.33	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.7	171.1	-67.7	170.6	0	0	0	113.7	E497 F1023 R1025	E497-L1027 HydrophobicContact CG-CD1 3.72Å; E497-L1027 HydrophobicContact CG-CD2 4.1Å; E497-L1027 HydrophobicContact CG-CG 4.49Å; E497-L1027 WeakPolarHBondContact OE1-CD1 3.45Å; F1023-L1027 HydrophobicContact CD1-CD1 4.48Å; F1023-L1027 HydrophobicContact CE1-CD1 3.68Å; F1023-L1027 HydrophobicContact CE1-CD2 4.38Å; F1023-L1027 HydrophobicContact CE1-CG 4.06Å; F1023-L1027 HydrophobicContact CZ-CD1 4.04Å; F1023-L1027 HydrophobicContact CZ-CD2 3.88Å; F1023-L1027 HydrophobicContact CZ-CG 4.01Å; F1023-L1027 PolarHBondContact O-N 2.71Å; R1025-L1027 PolarHBondContact O-N 2.76Å
1028	F	69.2	Low	65.2	Low	29 Å²	29	69 Å²	69	13%	0.127	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-29.6	-173.3	-61.8	-91.6	0	0	0	112.8	V994 V1000 V1004 H1008 D1024 R1025 E1026	V994-F1028 HydrophobicContact CG1-CE2 4.46Å; V994-F1028 HydrophobicContact CG1-CZ 4.36Å; V994-F1028 HydrophobicContact CG2-CD2 4.24Å; V994-F1028 HydrophobicContact CG2-CE2 3.47Å; V994-F1028 VanDerWaalsContact CG2-CE2 3.47Å; V994-F1028 HydrophobicContact CG2-CZ 4.08Å; V1000-F1028 HydrophobicContact CB-CD1 4.37Å; V1000-F1028 HydrophobicContact CB-CD2 4.38Å; V1000-F1028 HydrophobicContact CB-CE1 4.41Å; V1000-F1028 HydrophobicContact CB-CE2 4.44Å; V1000-F1028 HydrophobicContact CB-CG 4.36Å; V1000-F1028 HydrophobicContact CB-CZ 4.45Å; V1000-F1028 HydrophobicContact CG1-CB 4.47Å; V1000-F1028 HydrophobicContact CG1-CD1 3.99Å; V1000-F1028 HydrophobicContact CG1-CE1 4.41Å; V1000-F1028 HydrophobicContact CG1-CG 4.09Å; V1000-F1028 HydrophobicContact CG2-CD2 4.49Å; V1004-F1028 HydrophobicContact CG1-CB 3.71Å; V1004-F1028 HydrophobicContact CG1-CG 4.39Å; H1008-F1028 HydrophobicContact CB-CB 4.37Å; H1008-F1028 AromaticContact CE1-CD1 3.82Å; H1008-F1028 AromaticContact ND1-CD1 3.87Å; H1008-F1028 PolarHBondContact ND1-O 3.06Å; H1008-F1028 AromaticContact NE2-CD1 3.99Å; D1024-F1028 WeakPolarHBondContact O-CD2 3.36Å; D1024-F1028 VanDerWaalsContact O-CE2 3.25Å; D1024-F1028 WeakPolarHBondContact O-CE2 3.38Å; R1025-F1028 PolarHBondContact O-N 2.82Å; E1026-F1028 PolarHBondContact O-N 2.92Å
1029	V	74.8	Confident	64	Low	16 Å²	16	72.6 Å²	72.6	10%	0.097	38%	0.375	C	S	.	.	S	Bend	trans	-142.3	146.4	-174.9	-60.1	0	0	0	0	112.1	V1004 L1007 R1025 E1026 F1031	V1004-V1029 HydrophobicContact CG1-CG1 3.93Å; V1004-V1029 HydrophobicContact CG1-CG2 4.05Å; V1004-V1029 HydrophobicContact CG2-CG2 4.06Å; L1007-V1029 HydrophobicContact CB-CG1 3.49Å; L1007-V1029 VanDerWaalsContact CB-CG1 3.49Å; L1007-V1029 HydrophobicContact CD1-CB 4.27Å; L1007-V1029 HydrophobicContact CD1-CG1 3.98Å; L1007-V1029 HydrophobicContact CD1-CG2 4.41Å; L1007-V1029 HydrophobicContact CG-CG1 4.41Å; R1025-V1029 WeakPolarHBondContact O-CG2 3.4Å; R1025-V1029 PolarHBondContact O-N 2.78Å; E1026-V1029 WeakPolarHBondContact CA-O 3.32Å; V1029-F1031 HydrophobicContact CG2-CD2 4.39Å; V1029-F1031 HydrophobicContact CG2-CE2 3.79Å; V1029-F1031 HydrophobicContact CG2-CZ 4.06Å
1030	D	72	Confident	63.1	Low	166 Å²	166	72.2 Å²	72.2	89%	0.888	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-83.9	131.7	173.5	-67.7	-39.9	0	0	0	111.2
1031	F	70.1	Confident	62.8	Low	57 Å²	57	70.1 Å²	70.1	25%	0.25	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-96	148.8	173.9	-70.9	-95	0	0	0	111.8	I1019 T1021 R1025 E1026 V1029	I1019-F1031 HydrophobicContact CD1-CE1 4.03Å; I1019-F1031 HydrophobicContact CD1-CZ 4.24Å; I1019-F1031 HydrophobicContact CG1-CE1 4.01Å; I1019-F1031 HydrophobicContact CG1-CZ 4.43Å; I1019-F1031 HydrophobicContact CG2-CE1 4.23Å; T1021-F1031 HydrophobicContact CG2-CB 3.63Å; T1021-F1031 HydrophobicContact CG2-CD1 3.75Å; T1021-F1031 HydrophobicContact CG2-CD2 4.11Å; T1021-F1031 HydrophobicContact CG2-CE1 4.42Å; T1021-F1031 HydrophobicContact CG2-CG 3.56Å; R1025-F1031 HydrophobicContact CB-CE2 3.7Å; R1025-F1031 HydrophobicContact CB-CZ 3.69Å; E1026-F1031 HydrophobicContact CG-CD2 3.57Å; E1026-F1031 HydrophobicContact CG-CE2 3.86Å; V1029-F1031 HydrophobicContact CG2-CD2 4.39Å; V1029-F1031 HydrophobicContact CG2-CE2 3.79Å; V1029-F1031 HydrophobicContact CG2-CZ 4.06Å
1032	T	69.3	Low	62.6	Low	113 Å²	113	67.7 Å²	67.7	69%	0.693	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-73.1	165.6	165.7	57.9	0	0	0	0	110.4
1033	Y	65.2	Low	63	Low	207 Å²	207	66.5 Å²	66.5	81%	0.812	35%	0.349	S	S	*	.	S	Bend	trans	-49	136.5	170.8	-66.6	-74.4	0	0	0	111.6	L1035	Y1033-L1035 PolarHBondContact O-N 2.66Å
1034	P	57.9	Low	63.2	Low	68 Å²	68	67.4 Å²	67.4	44%	0.442	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-59.7	125.6	-176.3	20.9	-30.3	0	0	0	110.5	N1036 M1289	P1034-N1036 VanDerWaalsContact C-N 3.29Å; P1034-N1036 PolarHBondContact O-N 3.15Å; P1034-M1289 WeakPolarHBondContact CD-OXT 3.48Å; P1034-M1289 VanDerWaalsContact CG-OXT 3.3Å; P1034-M1289 WeakPolarHBondContact CG-OXT 3.46Å
1035	L	59.2	Low	63.5	Low	88 Å²	88	67.9 Å²	67.9	46%	0.461	36%	0.357	S	S	.	.	S	Bend	trans	-70.2	-26.8	-176.1	-69.3	164.5	0	0	0	112.5	L969 Y1033	L969-L1035 HydrophobicContact CD2-CD1 3.8Å; L969-L1035 HydrophobicContact CD2-CD2 3.96Å; Y1033-L1035 PolarHBondContact O-N 2.66Å
1036	N	54.3	Low	63.3	Low	93 Å²	93	69.9 Å²	69.9	50%	0.497	37%	0.366	S	S	.	.	S	Bend	trans	-129.1	142.5	-178.9	-66.7	-17.3	0	0	0	110.3	P1034	P1034-N1036 VanDerWaalsContact C-N 3.29Å; P1034-N1036 PolarHBondContact O-N 3.15Å
1037	E	47.4	Very low	62.8	Low	122 Å²	122	69.3 Å²	69.3	57%	0.57	36%	0.363	S	S	*	.			trans	-70.6	129.1	166.5	-73.2	-178.5	-178.8	0	0	109.8	R1039 I1231	E1037-R1039 PolarHBondContact O-N 2.89Å; E1037-I1231 WeakPolarHBondContact O-CD1 3.41Å
1038	A	47.5	Very low	62.3	Low	82 Å²	82	69.9 Å²	69.9	68%	0.678	37%	0.365	S	S	*	.			trans	-74.9	116.1	173.2	0	0	0	0	0	110.4	G1040	A1038-G1040 PolarHBondContact O-N 2.95Å
1039	R	48.4	Very low	61.2	Low	101 Å²	101	73.9 Å²	73.9	38%	0.381	38%	0.384	S	S	.	.			trans	-95.4	71.5	165.1	-76.9	-176.1	-162.2	164	4	109.8	E1037 Q1229 I1231 G1232 N1281	E1037-R1039 PolarHBondContact O-N 2.89Å; R1039-Q1229 WeakPolarHBondContact O-CB 3.33Å; R1039-Q1229 PolarHBondContact O-OE1 3.12Å; R1039-I1231 HydrophobicContact CB-CD1 3.51Å; R1039-I1231 HydrophobicContact CB-CG1 3.9Å; R1039-I1231 HydrophobicContact CG-CD1 3.35Å; R1039-I1231 HydrophobicContact CG-CG1 3.97Å; R1039-G1232 PolarHBondContact NH2-O 2.84Å; R1039-N1281 PolarHBondContact O-ND2 3.1Å
1040	G	55.6	Low	59.7	Low	27 Å²	27	80.4 Å²	80.4	28%	0.278	41%	0.413	S	S	.	.			trans	52.6	-163.6	169.8	0	0	0	0	0	115.1	A1038 G1283	A1038-G1040 PolarHBondContact O-N 2.95Å; G1040-G1283 WeakPolarHBondContact CA-O 3.42Å
1041	M	63.1	Low	58.4	Low	16 Å²	16	77.6 Å²	77.6	8%	0.079	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.8	174.1	-64.5	171.4	-76	0	0	109.5	E1144 Y1147 F1148 I1226 G1227 N1281 I1282	M1041-E1144 HydrophobicContact CG-CB 4.39Å; M1041-E1144 HydrophobicContact CG-CG 3.93Å; M1041-E1144 HydrophobicContact SD-CB 3.86Å; M1041-E1144 HydrophobicContact SD-CG 4.08Å; M1041-Y1147 HydrophobicContact CE-CD1 3.23Å; M1041-Y1147 HydrophobicContact CE-CE1 3.13Å; M1041-Y1147 HydrophobicContact CE-CE2 4.41Å; M1041-Y1147 HydrophobicContact CE-CG 3.95Å; M1041-Y1147 HydrophobicContact SD-CD1 3.88Å; M1041-Y1147 HydrophobicContact SD-CE1 4.37Å; M1041-Y1147 HydrophobicContact SD-CG 4.32Å; M1041-F1148 HydrophobicContact CE-CE2 4.02Å; M1041-F1148 HydrophobicContact CE-CZ 3.84Å; M1041-F1148 HydrophobicContact SD-CD2 4.43Å; M1041-F1148 HydrophobicContact SD-CE2 3.62Å; M1041-F1148 HydrophobicContact SD-CZ 4.04Å; M1041-I1226 HydrophobicContact CB-CG2 4.39Å; M1041-I1226 HydrophobicContact SD-CG2 4.45Å; M1041-G1227 CarbonylContact C-O 3.6Å; M1041-G1227 WeakPolarHBondContact CA-O 3.3Å; M1041-N1281 CarbonylContact O-C 3.09Å; M1041-N1281 VanDerWaalsContact O-CA 3.24Å; M1041-N1281 WeakPolarHBondContact O-CA 3.48Å; M1041-N1281 PolarHBondContact O-OD1 3.06Å; M1041-I1282 HydrophobicContact CB-CB 4.4Å; M1041-I1282 HydrophobicContact CE-CG2 4.16Å; M1041-I1282 PolarHBondContact N-O 3.25Å; M1041-I1282 VanDerWaalsContact N-O 3.15Å; M1041-I1282 PolarHBondContact O-N 2.79Å
1042	A	65.5	Low	56.8	Low	16 Å²	16	82.4 Å²	82.4	13%	0.132	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.4	170.3	0	0	0	0	0	111.3	G1227 Q1229 F1280	A1042-G1227 PolarHBondContact N-O 3.09Å; A1042-G1227 CarbonylContact O-C 3.45Å; A1042-G1227 PolarHBondContact O-N 3.21Å; A1042-Q1229 HydrophobicContact CB-CB 3.9Å; A1042-Q1229 HydrophobicContact CB-CG 4.43Å; A1042-F1280 CarbonylContact C-O 3.47Å; A1042-F1280 WeakPolarHBondContact CA-O 3.47Å
1043	V	70.8	Confident	55.4	Low	0 Å²	0	80.7 Å²	80.7	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.9	170.9	-174.5	0	0	0	0	108.8	I1045 A1224 L1225 I1226 G1279 F1280 I1282	V1043-I1045 HydrophobicContact CG1-CD1 4.03Å; V1043-I1045 HydrophobicContact CG1-CG1 3.86Å; V1043-A1224 HydrophobicContact CG1-CB 3.67Å; V1043-L1225 CarbonylContact C-O 3.34Å; V1043-I1226 HydrophobicContact CG2-CG1 4.33Å; V1043-G1279 WeakPolarHBondContact O-CA 3.23Å; V1043-F1280 HydrophobicContact CB-CD1 3.92Å; V1043-F1280 HydrophobicContact CB-CE1 3.49Å; V1043-F1280 VanDerWaalsContact CB-CE1 3.49Å; V1043-F1280 HydrophobicContact CB-CE2 4.48Å; V1043-F1280 HydrophobicContact CB-CZ 3.82Å; V1043-F1280 HydrophobicContact CG1-CE1 3.89Å; V1043-F1280 HydrophobicContact CG1-CZ 4.32Å; V1043-F1280 HydrophobicContact CG2-CD1 4.35Å; V1043-F1280 HydrophobicContact CG2-CD2 4.48Å; V1043-F1280 HydrophobicContact CG2-CE1 3.71Å; V1043-F1280 HydrophobicContact CG2-CE2 3.87Å; V1043-F1280 HydrophobicContact CG2-CZ 3.45Å; V1043-F1280 VanDerWaalsContact CG2-CZ 3.45Å; V1043-F1280 PolarHBondContact N-O 2.96Å; V1043-F1280 PolarHBondContact O-N 3.28Å; V1043-I1282 HydrophobicContact CG2-CD1 3.24Å; V1043-I1282 HydrophobicContact CG2-CG1 3.92Å
1044	L	66	Low	54.1	Low	55 Å²	55	74.2 Å²	74.2	29%	0.288	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.5	177.6	-162.5	97.6	0	0	0	109.9	I1210 V1213 A1224 L1225 I1277	L1044-I1210 HydrophobicContact CD2-CG1 4.42Å; L1044-V1213 HydrophobicContact CD2-CG1 4.44Å; L1044-V1213 HydrophobicContact CD2-CG2 4.4Å; L1044-A1224 CarbonylContact O-C 3.56Å; L1044-A1224 VanDerWaalsContact O-CA 3.32Å; L1044-A1224 WeakPolarHBondContact O-CA 3.48Å; L1044-L1225 HydrophobicContact CB-CB 4.13Å; L1044-L1225 WeakPolarHBondContact CB-O 3.24Å; L1044-L1225 HydrophobicContact CD2-CD2 4.19Å; L1044-L1225 PolarHBondContact N-O 3.19Å; L1044-L1225 PolarHBondContact O-N 3.34Å; L1044-I1277 HydrophobicContact CD1-CG2 3.43Å; L1044-I1277 VanDerWaalsContact CD1-CG2 3.43Å; L1044-I1277 HydrophobicContact CD2-CG2 3.85Å; L1044-I1277 HydrophobicContact CG-CG2 3.35Å
1045	I	70	Confident	53.5	Low	22 Å²	22	80.1 Å²	80.1	11%	0.113	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.6	-179.4	-48.1	-177.2	0	0	0	108.6	V1043 Q1047 L1122 A1224 Y1278 F1280	V1043-I1045 HydrophobicContact CG1-CD1 4.03Å; V1043-I1045 HydrophobicContact CG1-CG1 3.86Å; I1045-Q1047 PolarHBondContact O-N 2.85Å; I1045-Q1047 VanDerWaalsContact O-N 3.14Å; I1045-L1122 HydrophobicContact CD1-CD1 3.65Å; I1045-A1224 HydrophobicContact CD1-CB 4.15Å; I1045-A1224 HydrophobicContact CG1-CB 3.77Å; I1045-Y1278 PolarHBondContact N-O 2.79Å; I1045-Y1278 PolarHBondContact O-N 3.29Å; I1045-F1280 HydrophobicContact CD1-CE1 4.31Å
1046	K	69	Low	52.8	Low	52 Å²	52	78.8 Å²	78.8	23%	0.226	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	119	172.5	-172.7	175.2	-177.6	173.2	0	109.1	Q1048 V1213 L1214 S1216 E1276	K1046-Q1048 PolarHBondContact O-N 3Å; K1046-V1213 HydrophobicContact CB-CG1 4.08Å; K1046-V1213 VanDerWaalsContact N-CG1 3.31Å; K1046-L1214 PolarHBondContact NZ-O 2.91Å; K1046-S1216 WeakPolarHBondContact CB-OG 3.37Å; K1046-S1216 WeakPolarHBondContact CD-OG 3.47Å; K1046-S1216 PolarHBondContact NZ-O 2.72Å; K1046-E1276 CarbonylContact C-O 3.5Å
1047	Q	58.9	Low	52	Low	62 Å²	62	77.7 Å²	77.7	29%	0.29	40%	0.402	S	S	.	.			trans	-58.4	125.8	174.1	-172.8	173.1	-33.5	0	0	107.9	I1045 Q1049 E1275 E1276	I1045-Q1047 PolarHBondContact O-N 2.85Å; I1045-Q1047 VanDerWaalsContact O-N 3.14Å; Q1047-Q1049 PolarHBondContact O-N 2.62Å; Q1047-E1275 VanDerWaalsContact CD-O 3.28Å; Q1047-E1275 PolarHBondContact NE2-O 3.14Å; Q1047-E1275 PolarHBondContact OE1-O 3.36Å; Q1047-E1276 WeakPolarHBondContact CA-O 3.43Å; Q1047-E1276 HydrophobicContact CB-CB 4.45Å; Q1047-E1276 WeakPolarHBondContact CB-O 3.35Å; Q1047-E1276 PolarHBondContact N-O 2.99Å
1048	Q	55.1	Low	51.6	Low	76 Å²	76	76.8 Å²	76.8	36%	0.355	40%	0.401	S	S	.	.			trans	-63.3	110.7	168.8	-59.2	-80	-60.8	0	0	105.8	K1046 Q1050 P1118 Q1119	K1046-Q1048 PolarHBondContact O-N 3Å; Q1048-Q1050 PolarHBondContact O-N 3.4Å; Q1048-P1118 HydrophobicContact CB-CG 4.25Å; Q1048-P1118 HydrophobicContact CG-CB 4.42Å; Q1048-P1118 HydrophobicContact CG-CG 4.39Å; Q1048-Q1119 PolarHBondContact O-NE2 3.37Å
1049	Q	46	Very low	51.4	Low	113 Å²	113	77 Å²	77	53%	0.528	39%	0.394	S	S	.	.			trans	-44	120.3	167.7	-88.5	-177.4	-13	0	0	106.8	Q1047 I1051 E1276	Q1047-Q1049 PolarHBondContact O-N 2.62Å; Q1049-I1051 PolarHBondContact O-N 3.31Å; Q1049-E1276 PolarHBondContact NE2-OE1 3.49Å
1050	Q	42.2	Very low	51.1	Low	153 Å²	153	78.1 Å²	78.1	72%	0.715	41%	0.406	S	S	*	.			trans	-52.6	115.5	167	-72.7	-167.2	-14.2	0	0	103.8	Q1048 E1052	Q1048-Q1050 PolarHBondContact O-N 3.4Å; Q1050-E1052 PolarHBondContact O-N 3.17Å
1051	I	45	Very low	50.8	Low	106 Å²	106	78.3 Å²	78.3	54%	0.544	40%	0.402	S	S	.	.			trans	-54	105.5	158.3	-64	164.9	0	0	0	101	Q1049 P1053	Q1049-I1051 PolarHBondContact O-N 3.31Å; I1051-P1053 VanDerWaalsContact C-N 3.31Å; I1051-P1053 VanDerWaalsContact O-CD 3.3Å; I1051-P1053 WeakPolarHBondContact O-CD 3.28Å
1052	E	37.2	Very low	50.1	Low	159 Å²	159	82.1 Å²	82.1	74%	0.743	42%	0.422	S	S	*	.			trans	-45.1	114.2	164.6	-76.9	-164.8	171.1	0	0	101.9	Q1050 P1054	Q1050-E1052 PolarHBondContact O-N 3.17Å; E1052-P1054 VanDerWaalsContact C-N 3.33Å; E1052-P1054 WeakPolarHBondContact O-CA 3.1Å; E1052-P1054 VanDerWaalsContact O-CD 3.24Å; E1052-P1054 WeakPolarHBondContact O-CD 3.29Å
1053	P	38.7	Very low	49.7	Very low	77 Å²	77	89.9 Å²	89.9	50%	0.5	45%	0.448	S	S	.	.			trans	-51.8	115.3	-178.2	20.3	-30.2	0	0	0	101.6	I1051 K1055 L1057	I1051-P1053 VanDerWaalsContact C-N 3.31Å; I1051-P1053 VanDerWaalsContact O-CD 3.3Å; I1051-P1053 WeakPolarHBondContact O-CD 3.28Å; P1053-K1055 PolarHBondContact O-N 3.23Å; P1053-L1057 HydrophobicContact CB-CD1 4.46Å
1054	P	39.1	Very low	49.1	Very low	70 Å²	70	92.8 Å²	92.8	46%	0.455	47%	0.468	S	S	.	.			trans	-57.4	148.3	-164.1	-0.6	3.2	0	0	0	103.7	E1052 T1056 L1057	E1052-P1054 VanDerWaalsContact C-N 3.33Å; E1052-P1054 WeakPolarHBondContact O-CA 3.1Å; E1052-P1054 VanDerWaalsContact O-CD 3.24Å; E1052-P1054 WeakPolarHBondContact O-CD 3.29Å; P1054-T1056 HydrophobicContact CB-CG2 3.94Å; P1054-T1056 WeakPolarHBondContact CB-OG1 3.31Å; P1054-T1056 WeakPolarHBondContact CG-OG1 3.24Å; P1054-T1056 CarbonylContact O-C 3.58Å; P1054-T1056 VanDerWaalsContact O-CA 3.29Å; P1054-T1056 WeakPolarHBondContact O-CA 3.19Å; P1054-T1056 PolarHBondContact O-N 2.94Å; P1054-T1056 PolarHBondContact O-OG1 3.39Å; P1054-L1057 PolarHBondContact O-N 3.4Å
1055	K	45	Very low	48.5	Very low	192 Å²	192	93.4 Å²	93.4	84%	0.835	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-10	177.5	-71.9	178.6	178.5	171.6	0	111.8	P1053 L1057 L1058 T1059	P1053-K1055 PolarHBondContact O-N 3.23Å; K1055-L1057 PolarHBondContact O-N 3.13Å; K1055-L1058 PolarHBondContact O-N 3.14Å; K1055-L1058 VanDerWaalsContact O-N 3.08Å; K1055-T1059 PolarHBondContact O-N 3.47Å
1056	T	43.4	Very low	48	Very low	60 Å²	60	97.2 Å²	97.2	37%	0.368	49%	0.487	S	S	.	.	H	α-helix	trans	-47.1	-15.6	154.8	68.4	0	0	0	0	119.5	P1054 L1058 T1059 I1060	P1054-T1056 HydrophobicContact CB-CG2 3.94Å; P1054-T1056 WeakPolarHBondContact CB-OG1 3.31Å; P1054-T1056 WeakPolarHBondContact CG-OG1 3.24Å; P1054-T1056 CarbonylContact O-C 3.58Å; P1054-T1056 VanDerWaalsContact O-CA 3.29Å; P1054-T1056 WeakPolarHBondContact O-CA 3.19Å; P1054-T1056 PolarHBondContact O-N 2.94Å; P1054-T1056 PolarHBondContact O-OG1 3.39Å; T1056-L1058 PolarHBondContact O-N 2.89Å; T1056-T1059 VanDerWaalsContact C-N 3.31Å; T1056-T1059 WeakPolarHBondContact CA-OG1 3.26Å; T1056-T1059 WeakPolarHBondContact CB-OG1 3.39Å; T1056-T1059 WeakPolarHBondContact CG2-OG1 3.39Å; T1056-T1059 CarbonylContact O-C 3.59Å; T1056-T1059 PolarHBondContact O-N 3.28Å; T1056-I1060 PolarHBondContact O-N 3.47Å
1057	L	39.1	Very low	47.5	Very low	70 Å²	70	98.1 Å²	98.1	37%	0.366	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-31.2	167.9	-152	83.6	0	0	0	110.8	P1053 P1054 K1055 Y1105 L1109	P1053-L1057 HydrophobicContact CB-CD1 4.46Å; P1054-L1057 PolarHBondContact O-N 3.4Å; K1055-L1057 PolarHBondContact O-N 3.13Å; L1057-Y1105 PolarHBondContact O-OH 3.48Å; L1057-L1109 HydrophobicContact CD1-CD1 3.39Å; L1057-L1109 HydrophobicContact CD2-CD1 4.01Å; L1057-L1109 HydrophobicContact CD2-CD2 4.32Å; L1057-L1109 HydrophobicContact CG-CD1 3.66Å
1058	L	39	Very low	47.6	Very low	104 Å²	104	99.1 Å²	99.1	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-89.8	-23.6	168.2	-140	85	0	0	0	112.9	K1055 T1056 W1066	K1055-L1058 PolarHBondContact O-N 3.14Å; K1055-L1058 VanDerWaalsContact O-N 3.08Å; T1056-L1058 PolarHBondContact O-N 2.89Å; L1058-W1066 HydrophobicContact CD1-CZ2 4.44Å
1059	T	41.6	Very low	47.7	Very low	87 Å²	87	97.6 Å²	97.6	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-92.1	-0.6	-179.1	89.8	0	0	0	0	116.2	K1055 T1056 V1061	K1055-T1059 PolarHBondContact O-N 3.47Å; T1056-T1059 VanDerWaalsContact C-N 3.31Å; T1056-T1059 WeakPolarHBondContact CA-OG1 3.26Å; T1056-T1059 WeakPolarHBondContact CB-OG1 3.39Å; T1056-T1059 WeakPolarHBondContact CG2-OG1 3.39Å; T1056-T1059 CarbonylContact O-C 3.59Å; T1056-T1059 PolarHBondContact O-N 3.28Å; T1059-V1061 PolarHBondContact O-N 2.85Å
1060	I	43.6	Very low	48.1	Very low	124 Å²	124	97.1 Å²	97.1	64%	0.636	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-30.2	163.8	-82	169.1	0	0	0	109.5	T1056 Y1105	T1056-I1060 PolarHBondContact O-N 3.47Å; I1060-Y1105 HydrophobicContact CG2-CE2 4.09Å
1061	V	48.3	Very low	48.7	Very low	30 Å²	30	94.2 Å²	94.2	18%	0.182	49%	0.491	C	S	.	.	S	Bend	trans	-108	109.5	172.6	177.7	0	0	0	0	107	T1059 V1065 Y1105	T1059-V1061 PolarHBondContact O-N 2.85Å; V1061-V1065 HydrophobicContact CG1-CB 3.31Å; V1061-V1065 HydrophobicContact CG1-CG1 3.4Å; V1061-V1065 HydrophobicContact CG1-CG2 4.06Å; V1061-Y1105 HydrophobicContact CG2-CE2 4Å
1062	D	48.9	Very low	49.4	Very low	97 Å²	97	90.7 Å²	90.7	52%	0.519	48%	0.477	S	S	.	.			trans	-51.4	146.9	177.3	-175.7	13.5	0	0	0	110	S1064 V1065	D1062-S1064 VanDerWaalsContact CG-OG 3.29Å; D1062-S1064 PolarHBondContact O-N 3.33Å; D1062-S1064 WeakPolarHBondContact OD2-CB 3.36Å; D1062-S1064 PolarHBondContact OD2-OG 2.87Å; D1062-V1065 PolarHBondContact O-N 3.41Å
1063	W	56	Low	50.2	Low	179 Å²	179	86.8 Å²	86.8	68%	0.678	46%	0.461	S	S	*	.	H	α-helix	trans	-49	-30.2	175.9	-178.2	-109.2	0	0	0	111.5	V1065 W1066 L1067	W1063-V1065 PolarHBondContact O-N 2.91Å; W1063-W1066 PolarHBondContact O-N 3.34Å; W1063-L1067 HydrophobicContact CG-CD1 4.5Å; W1063-L1067 WeakPolarHBondContact O-CB 3.47Å; W1063-L1067 PolarHBondContact O-N 2.76Å
1064	S	58.2	Low	50.8	Low	60 Å²	60	86.8 Å²	86.8	42%	0.42	46%	0.462	S	S	.	.	H	α-helix	trans	-50.3	-45.2	169.8	-53.4	0	0	0	0	114.4	D1062 L1067 C1068	D1062-S1064 VanDerWaalsContact CG-OG 3.29Å; D1062-S1064 PolarHBondContact O-N 3.33Å; D1062-S1064 WeakPolarHBondContact OD2-CB 3.36Å; D1062-S1064 PolarHBondContact OD2-OG 2.87Å; S1064-L1067 CarbonylContact O-C 3.53Å; S1064-L1067 WeakPolarHBondContact O-CB 3.4Å; S1064-L1067 PolarHBondContact O-N 3.36Å; S1064-C1068 PolarHBondContact O-N 3.33Å; S1064-C1068 PolarHBondContact O-SG 3.26Å
1065	V	54.3	Low	51.7	Low	69 Å²	69	88.8 Å²	88.8	42%	0.418	47%	0.473	S	S	.	.	H	α-helix	trans	-77.7	-34.8	-177	175.3	0	0	0	0	111.1	V1061 D1062 W1063 L1067 C1068 L1069	V1061-V1065 HydrophobicContact CG1-CB 3.31Å; V1061-V1065 HydrophobicContact CG1-CG1 3.4Å; V1061-V1065 HydrophobicContact CG1-CG2 4.06Å; D1062-V1065 PolarHBondContact O-N 3.41Å; W1063-V1065 PolarHBondContact O-N 2.91Å; V1065-L1067 VanDerWaalsContact C-N 3.33Å; V1065-C1068 WeakPolarHBondContact O-CB 3.32Å; V1065-C1068 PolarHBondContact O-N 3.31Å; V1065-L1069 HydrophobicContact CG1-CD1 4.41Å; V1065-L1069 WeakPolarHBondContact O-CB 3.43Å; V1065-L1069 PolarHBondContact O-N 2.76Å
1066	W	58.7	Low	52.1	Low	101 Å²	101	83.3 Å²	83.3	38%	0.383	46%	0.456	S	S	.	.	H	α-helix	trans	-64.1	-40.4	169.4	-73.2	109	0	0	0	111.3	L1058 W1063 L1069 L1070	L1058-W1066 HydrophobicContact CD1-CZ2 4.44Å; W1063-W1066 PolarHBondContact O-N 3.34Å; W1066-L1069 HydrophobicContact CE3-CD1 4.37Å; W1066-L1069 PolarHBondContact O-N 2.98Å; W1066-L1070 VanDerWaalsContact O-CB 3.24Å; W1066-L1070 WeakPolarHBondContact O-CB 3.32Å; W1066-L1070 PolarHBondContact O-N 3.23Å
1067	L	59.3	Low	52.2	Low	71 Å²	71	85.2 Å²	85.2	37%	0.372	47%	0.471	S	S	.	.	H	α-helix	trans	-61.3	-42.7	169.6	-100.3	163.3	0	0	0	111.5	W1063 S1064 V1065 L1070 I1071	W1063-L1067 HydrophobicContact CG-CD1 4.5Å; W1063-L1067 WeakPolarHBondContact O-CB 3.47Å; W1063-L1067 PolarHBondContact O-N 2.76Å; S1064-L1067 CarbonylContact O-C 3.53Å; S1064-L1067 WeakPolarHBondContact O-CB 3.4Å; S1064-L1067 PolarHBondContact O-N 3.36Å; V1065-L1067 VanDerWaalsContact C-N 3.33Å; L1067-L1070 PolarHBondContact O-N 2.98Å; L1067-I1071 HydrophobicContact CD2-CD1 4.32Å; L1067-I1071 VanDerWaalsContact O-CB 3.25Å; L1067-I1071 WeakPolarHBondContact O-CB 3.48Å; L1067-I1071 WeakPolarHBondContact O-CD1 3.06Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.34Å; L1067-I1071 PolarHBondContact O-N 3.3Å
1068	C	60.4	Low	52.3	Low	83 Å²	83	87.1 Å²	87.1	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-62.9	-42.2	175.4	-72.7	0	0	0	0	112.1	S1064 V1065 A1072	S1064-C1068 PolarHBondContact O-N 3.33Å; S1064-C1068 PolarHBondContact O-SG 3.26Å; V1065-C1068 WeakPolarHBondContact O-CB 3.32Å; V1065-C1068 PolarHBondContact O-N 3.31Å; C1068-A1072 WeakPolarHBondContact O-CB 3.34Å; C1068-A1072 PolarHBondContact O-N 3.37Å
1069	L	57.7	Low	52.5	Low	45 Å²	45	85.4 Å²	85.4	24%	0.236	50%	0.498	C	S	.	.	H	α-helix	trans	-65.4	-43.1	174.8	-86.8	160.1	0	0	0	111.4	V1065 W1066 A1072 L1073 T1098	V1065-L1069 HydrophobicContact CG1-CD1 4.41Å; V1065-L1069 WeakPolarHBondContact O-CB 3.43Å; V1065-L1069 PolarHBondContact O-N 2.76Å; W1066-L1069 HydrophobicContact CE3-CD1 4.37Å; W1066-L1069 PolarHBondContact O-N 2.98Å; L1069-A1072 PolarHBondContact O-N 2.63Å; L1069-L1073 VanDerWaalsContact O-CB 3.32Å; L1069-L1073 WeakPolarHBondContact O-CB 3.3Å; L1069-L1073 WeakPolarHBondContact O-CD1 3.09Å; L1069-L1073 WeakPolarHBondContact O-CG 3.45Å; L1069-L1073 PolarHBondContact O-N 3.42Å; L1069-T1098 HydrophobicContact CD2-CG2 3.89Å
1070	L	55.4	Low	52.8	Low	102 Å²	102	93 Å²	93	53%	0.534	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-43.8	176.7	-169.2	110.9	0	0	0	111.2	W1066 L1067 L1073 C1074	W1066-L1070 VanDerWaalsContact O-CB 3.24Å; W1066-L1070 WeakPolarHBondContact O-CB 3.32Å; W1066-L1070 PolarHBondContact O-N 3.23Å; L1067-L1070 PolarHBondContact O-N 2.98Å; L1070-L1073 PolarHBondContact O-N 3.18Å; L1070-C1074 VanDerWaalsContact O-CB 3.26Å; L1070-C1074 WeakPolarHBondContact O-CB 3.36Å; L1070-C1074 PolarHBondContact O-N 3.48Å; L1070-C1074 PolarHBondContact O-SG 3.34Å
1071	I	54.5	Low	53	Low	93 Å²	93	93.4 Å²	93.4	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-62.7	-44.8	173.2	-69.4	163.9	0	0	0	109.4	L1067 L1073 C1074 V1075	L1067-I1071 HydrophobicContact CD2-CD1 4.32Å; L1067-I1071 VanDerWaalsContact O-CB 3.25Å; L1067-I1071 WeakPolarHBondContact O-CB 3.48Å; L1067-I1071 WeakPolarHBondContact O-CD1 3.06Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.34Å; L1067-I1071 PolarHBondContact O-N 3.3Å; I1071-L1073 VanDerWaalsContact C-N 3.32Å; I1071-L1073 PolarHBondContact O-N 2.95Å; I1071-C1074 PolarHBondContact O-N 2.98Å; I1071-V1075 HydrophobicContact CG2-CG2 3.8Å; I1071-V1075 WeakPolarHBondContact O-CB 3.39Å; I1071-V1075 WeakPolarHBondContact O-CG2 3.31Å; I1071-V1075 PolarHBondContact O-N 2.97Å
1072	A	58.2	Low	53.4	Low	32 Å²	32	93.8 Å²	93.8	26%	0.264	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-40	177.2	0	0	0	0	0	112.1	C1068 L1069 T1076	C1068-A1072 WeakPolarHBondContact O-CB 3.34Å; C1068-A1072 PolarHBondContact O-N 3.37Å; L1069-A1072 PolarHBondContact O-N 2.63Å; A1072-T1076 WeakPolarHBondContact O-CG2 3.06Å; A1072-T1076 PolarHBondContact O-N 3.46Å; A1072-T1076 PolarHBondContact O-OG1 3.32Å
1073	L	54.7	Low	54.1	Low	76 Å²	76	100.8 Å²	100.8	40%	0.398	54%	0.542	S	S	.	.	H	α-helix	trans	-66.9	-46.7	174.8	-77.1	162.9	0	0	0	111.8	L1069 L1070 I1071 T1076 S1077 W1095	L1069-L1073 VanDerWaalsContact O-CB 3.32Å; L1069-L1073 WeakPolarHBondContact O-CB 3.3Å; L1069-L1073 WeakPolarHBondContact O-CD1 3.09Å; L1069-L1073 WeakPolarHBondContact O-CG 3.45Å; L1069-L1073 PolarHBondContact O-N 3.42Å; L1070-L1073 PolarHBondContact O-N 3.18Å; I1071-L1073 VanDerWaalsContact C-N 3.32Å; I1071-L1073 PolarHBondContact O-N 2.95Å; L1073-T1076 PolarHBondContact O-OG1 3.31Å; L1073-S1077 WeakPolarHBondContact O-CB 3.11Å; L1073-S1077 PolarHBondContact O-N 2.95Å; L1073-W1095 HydrophobicContact CD2-CH2 3.27Å; L1073-W1095 HydrophobicContact CD2-CZ2 4.21Å; L1073-W1095 HydrophobicContact CD2-CZ3 3.65Å
1074	C	52.4	Low	54.5	Low	78 Å²	78	96.6 Å²	96.6	53%	0.527	53%	0.533	S	S	.	.	H	α-helix	trans	-70.1	-37.8	-178.8	-73.2	0	0	0	0	112.5	L1070 I1071 T1076	L1070-C1074 VanDerWaalsContact O-CB 3.26Å; L1070-C1074 WeakPolarHBondContact O-CB 3.36Å; L1070-C1074 PolarHBondContact O-N 3.48Å; L1070-C1074 PolarHBondContact O-SG 3.34Å; I1071-C1074 PolarHBondContact O-N 2.98Å; C1074-T1076 VanDerWaalsContact C-N 3.32Å; C1074-T1076 PolarHBondContact O-N 2.85Å
1075	V	56.3	Low	54.9	Low	112 Å²	112	100.4 Å²	100.4	68%	0.679	55%	0.546	S	S	*	.	H	α-helix	trans	-72.8	-26.6	-178.3	174	0	0	0	0	111.5	I1071	I1071-V1075 HydrophobicContact CG2-CG2 3.8Å; I1071-V1075 WeakPolarHBondContact O-CB 3.39Å; I1071-V1075 WeakPolarHBondContact O-CG2 3.31Å; I1071-V1075 PolarHBondContact O-N 2.97Å
1076	T	54.5	Low	55.9	Low	77 Å²	77	100.5 Å²	100.5	47%	0.472	55%	0.549	S	S	.	.	H	α-helix	trans	-93	-11.7	-177.8	56.6	0	0	0	0	114.8	A1072 L1073 C1074	A1072-T1076 WeakPolarHBondContact O-CG2 3.06Å; A1072-T1076 PolarHBondContact O-N 3.46Å; A1072-T1076 PolarHBondContact O-OG1 3.32Å; L1073-T1076 PolarHBondContact O-OG1 3.31Å; C1074-T1076 VanDerWaalsContact C-N 3.32Å; C1074-T1076 PolarHBondContact O-N 2.85Å
1077	S	45.2	Very low	56.1	Low	99 Å²	99	96.4 Å²	96.4	69%	0.692	54%	0.538	S	S	*	.	H	α-helix	trans	-98	-11.8	-169.8	-162.7	0	0	0	0	116.5	L1073	L1073-S1077 WeakPolarHBondContact O-CB 3.11Å; L1073-S1077 PolarHBondContact O-N 2.95Å
1078	S	41.3	Very low	56.4	Low	110 Å²	110	99.1 Å²	99.1	77%	0.769	54%	0.543	S	S	*	.	S	Bend	trans	-123.4	59.7	-170.4	62.7	0	0	0	0	115
1079	G	43	Very low	56.6	Low	68 Å²	68	100.1 Å²	100.1	70%	0.701	54%	0.542	S	S	*	.	S	Bend	trans	177.9	68.2	170.4	0	0	0	0	0	117.5
1080	R	48.9	Very low	57	Low	246 Å²	246	103.7 Å²	103.7	93%	0.928	56%	0.56	S	S	*	*			trans	67.2	112.3	172.6	-57.8	175.2	178.4	163.2	0.6	114.3
1081	L	47.1	Very low	57.6	Low	134 Å²	134	101.9 Å²	101.9	70%	0.702	55%	0.553	S	S	*	*			trans	-54	135.7	168.2	-78.3	88.6	0	0	0	109.9	R1083	L1081-R1083 PolarHBondContact O-N 3.27Å
1082	P	57	Low	58	Low	38 Å²	38	101.4 Å²	101.4	25%	0.247	56%	0.555	C	S	.	*			trans	-54.7	127.6	173	16.6	-26.5	0	0	0	110.2	N1084 G1087 R1088 V1091	P1082-N1084 VanDerWaalsContact C-N 3.28Å; P1082-N1084 WeakPolarHBondContact CB-OD1 3.47Å; P1082-G1087 WeakPolarHBondContact CG-O 2.97Å; P1082-R1088 HydrophobicContact CG-CG 4.36Å; P1082-R1088 WeakPolarHBondContact O-CG 3.14Å; P1082-R1088 PolarHBondContact O-NE 3.46Å; P1082-V1091 HydrophobicContact CG-CG2 4.18Å
1083	R	63.1	Low	58.4	Low	244 Å²	244	102.4 Å²	102.4	92%	0.921	56%	0.563	S	S	*	*	S	Bend	trans	-70.9	-27.1	176.8	-83.8	-175.6	160.8	168	-4.8	112	L1081	L1081-R1083 PolarHBondContact O-N 3.27Å
1084	N	65.1	Low	59	Low	91 Å²	91	104.5 Å²	104.5	49%	0.487	57%	0.565	S	S	.	*	S	Bend	trans	-85	144.9	-178.6	54	-3.1	0	0	0	111.6	P1082 S1086 G1087 R1088	P1082-N1084 VanDerWaalsContact C-N 3.28Å; P1082-N1084 WeakPolarHBondContact CB-OD1 3.47Å; N1084-S1086 VanDerWaalsContact C-N 3.26Å; N1084-S1086 PolarHBondContact ND2-OG 2.7Å; N1084-S1086 PolarHBondContact O-N 3.42Å; N1084-G1087 PolarHBondContact O-N 3.33Å; N1084-R1088 PolarHBondContact O-N 3.15Å; N1084-R1088 VanDerWaalsContact O-N 3.17Å
1085	M	66.4	Low	59.8	Low	140 Å²	140	106.6 Å²	106.6	69%	0.69	56%	0.563	S	S	*	*	H	α-helix	trans	-59.3	-37.1	179.9	-72.3	-63.4	-73.8	0	0	112.2	G1087 R1088 I1089	M1085-G1087 PolarHBondContact O-N 3.03Å; M1085-R1088 PolarHBondContact O-N 3.31Å; M1085-I1089 WeakPolarHBondContact O-CD1 3.45Å; M1085-I1089 VanDerWaalsContact O-CG1 3.23Å; M1085-I1089 WeakPolarHBondContact O-CG1 3.49Å; M1085-I1089 PolarHBondContact O-N 3.47Å
1086	S	75.1	Confident	60	Low	71 Å²	71	106.4 Å²	106.4	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-59.9	-45.3	177.5	53.4	0	0	0	0	112.6	N1084 R1088 I1089 I1090	N1084-S1086 VanDerWaalsContact C-N 3.26Å; N1084-S1086 PolarHBondContact ND2-OG 2.7Å; N1084-S1086 PolarHBondContact O-N 3.42Å; S1086-R1088 VanDerWaalsContact C-N 3.33Å; S1086-R1088 PolarHBondContact O-N 2.96Å; S1086-I1089 PolarHBondContact O-N 3.5Å; S1086-I1090 WeakPolarHBondContact O-CG1 3.4Å; S1086-I1090 PolarHBondContact O-N 2.66Å; S1086-I1090 VanDerWaalsContact O-N 3.1Å
1087	G	62.4	Low	60.5	Low	14 Å²	14	108 Å²	108	14%	0.144	56%	0.557	C	S	.	*	H	α-helix	trans	-67.9	-34.5	177.8	0	0	0	0	0	112.3	P1082 N1084 M1085 V1091	P1082-G1087 WeakPolarHBondContact CG-O 2.97Å; N1084-G1087 PolarHBondContact O-N 3.33Å; M1085-G1087 PolarHBondContact O-N 3.03Å; G1087-V1091 VanDerWaalsContact O-CG2 3.31Å; G1087-V1091 WeakPolarHBondContact O-CG2 3.39Å; G1087-V1091 PolarHBondContact O-N 3.03Å; G1087-V1091 VanDerWaalsContact O-N 3.12Å
1088	R	65.2	Low	61.3	Low	128 Å²	128	104 Å²	104	48%	0.483	53%	0.529	S	S	.	.	H	α-helix	trans	-64.6	-48	173.3	-68.3	-164.5	176.4	-155.8	0.1	111.2	P1082 N1084 M1085 S1086 I1090 V1091 T1092	P1082-R1088 HydrophobicContact CG-CG 4.36Å; P1082-R1088 WeakPolarHBondContact O-CG 3.14Å; P1082-R1088 PolarHBondContact O-NE 3.46Å; N1084-R1088 PolarHBondContact O-N 3.15Å; N1084-R1088 VanDerWaalsContact O-N 3.17Å; M1085-R1088 PolarHBondContact O-N 3.31Å; S1086-R1088 VanDerWaalsContact C-N 3.33Å; S1086-R1088 PolarHBondContact O-N 2.96Å; R1088-I1090 VanDerWaalsContact C-N 3.29Å; R1088-I1090 PolarHBondContact O-N 3.3Å; R1088-V1091 PolarHBondContact O-N 3.1Å; R1088-V1091 VanDerWaalsContact O-N 3.14Å; R1088-T1092 PolarHBondContact O-N 2.86Å; R1088-T1092 PolarHBondContact O-OG1 3.4Å
1089	I	65	Low	62.4	Low	105 Å²	105	104.6 Å²	104.6	54%	0.538	52%	0.518	S	S	.	.	H	α-helix	trans	-56.5	-44.1	178.9	-68.5	162.4	0	0	0	111.1	M1085 S1086 T1092 A1093	M1085-I1089 WeakPolarHBondContact O-CD1 3.45Å; M1085-I1089 VanDerWaalsContact O-CG1 3.23Å; M1085-I1089 WeakPolarHBondContact O-CG1 3.49Å; M1085-I1089 PolarHBondContact O-N 3.47Å; S1086-I1089 PolarHBondContact O-N 3.5Å; I1089-T1092 PolarHBondContact O-N 2.89Å; I1089-A1093 VanDerWaalsContact O-CB 3.25Å; I1089-A1093 WeakPolarHBondContact O-CB 3.27Å; I1089-A1093 PolarHBondContact O-N 2.86Å
1090	I	67.1	Low	63.3	Low	119 Å²	119	104.8 Å²	104.8	61%	0.61	51%	0.509	S	S	*	.	H	α-helix	trans	-62.7	-45.8	178	-68.3	166.5	0	0	0	111.1	S1086 R1088 A1093 W1094	S1086-I1090 WeakPolarHBondContact O-CG1 3.4Å; S1086-I1090 PolarHBondContact O-N 2.66Å; S1086-I1090 VanDerWaalsContact O-N 3.1Å; R1088-I1090 VanDerWaalsContact C-N 3.29Å; R1088-I1090 PolarHBondContact O-N 3.3Å; I1090-A1093 PolarHBondContact O-N 2.68Å; I1090-W1094 WeakPolarHBondContact O-CB 3.2Å; I1090-W1094 PolarHBondContact O-N 2.98Å
1091	V	66.8	Low	64.1	Low	65 Å²	65	97 Å²	97	39%	0.394	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-44.1	177.8	172.6	0	0	0	0	110.5	P1082 G1087 R1088 W1094 W1095	P1082-V1091 HydrophobicContact CG-CG2 4.18Å; G1087-V1091 VanDerWaalsContact O-CG2 3.31Å; G1087-V1091 WeakPolarHBondContact O-CG2 3.39Å; G1087-V1091 PolarHBondContact O-N 3.03Å; G1087-V1091 VanDerWaalsContact O-N 3.12Å; R1088-V1091 PolarHBondContact O-N 3.1Å; R1088-V1091 VanDerWaalsContact O-N 3.14Å; V1091-W1094 PolarHBondContact O-N 3.33Å; V1091-W1095 PolarHBondContact O-N 3.06Å
1092	T	63.5	Low	64.9	Low	83 Å²	83	94.8 Å²	94.8	51%	0.509	47%	0.473	S	S	.	.	H	α-helix	trans	-63.9	-42.2	177.3	-30.3	0	0	0	0	111.8	R1088 I1089 W1094 W1095 L1096	R1088-T1092 PolarHBondContact O-N 2.86Å; R1088-T1092 PolarHBondContact O-OG1 3.4Å; I1089-T1092 PolarHBondContact O-N 2.89Å; T1092-W1094 VanDerWaalsContact C-N 3.31Å; T1092-W1094 PolarHBondContact O-N 3.42Å; T1092-W1095 PolarHBondContact O-N 2.78Å; T1092-L1096 WeakPolarHBondContact O-CB 3.12Å; T1092-L1096 WeakPolarHBondContact O-CG 3.45Å; T1092-L1096 PolarHBondContact O-N 2.95Å
1093	A	66.6	Low	65	Low	52 Å²	52	94.2 Å²	94.2	43%	0.43	47%	0.471	S	S	.	.	H	α-helix	trans	-62.5	-39.1	176.9	0	0	0	0	0	111.7	I1089 I1090 L1096 F1097	I1089-A1093 VanDerWaalsContact O-CB 3.25Å; I1089-A1093 WeakPolarHBondContact O-CB 3.27Å; I1089-A1093 PolarHBondContact O-N 2.86Å; I1090-A1093 PolarHBondContact O-N 2.68Å; A1093-L1096 PolarHBondContact O-N 3.44Å; A1093-F1097 WeakPolarHBondContact O-CB 3.39Å; A1093-F1097 PolarHBondContact O-N 3Å
1094	W	67.4	Low	64.9	Low	120 Å²	120	85.6 Å²	85.6	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-67.8	-40.1	176.9	-175	-109.1	0	0	0	113	I1090 V1091 T1092 F1097 T1098	I1090-W1094 WeakPolarHBondContact O-CB 3.2Å; I1090-W1094 PolarHBondContact O-N 2.98Å; V1091-W1094 PolarHBondContact O-N 3.33Å; T1092-W1094 VanDerWaalsContact C-N 3.31Å; T1092-W1094 PolarHBondContact O-N 3.42Å; W1094-F1097 HydrophobicContact CE3-CD1 4Å; W1094-F1097 HydrophobicContact CH2-CD1 4.2Å; W1094-F1097 HydrophobicContact CH2-CE1 4.24Å; W1094-F1097 AromaticContact CZ3-CD1 3.69Å; W1094-F1097 HydrophobicContact CZ3-CD1 3.69Å; W1094-F1097 AromaticContact CZ3-CE1 3.94Å; W1094-F1097 HydrophobicContact CZ3-CE1 3.94Å; W1094-F1097 PolarHBondContact O-N 2.67Å; W1094-T1098 PolarHBondContact O-N 2.78Å; W1094-T1098 PolarHBondContact O-OG1 2.85Å
1095	W	67.9	Low	64.6	Low	123 Å²	123	84.4 Å²	84.4	47%	0.466	44%	0.437	S	S	.	.	H	α-helix	trans	-65.8	-39	173.4	-82.6	107	0	0	0	112.2	L1073 V1091 T1092 T1098 F1099	L1073-W1095 HydrophobicContact CD2-CH2 3.27Å; L1073-W1095 HydrophobicContact CD2-CZ2 4.21Å; L1073-W1095 HydrophobicContact CD2-CZ3 3.65Å; V1091-W1095 PolarHBondContact O-N 3.06Å; T1092-W1095 PolarHBondContact O-N 2.78Å; W1095-T1098 PolarHBondContact O-N 3.21Å; W1095-F1099 WeakPolarHBondContact O-CB 3.24Å; W1095-F1099 PolarHBondContact O-N 3.12Å
1096	L	62.1	Low	63.9	Low	108 Å²	108	81.2 Å²	81.2	57%	0.565	43%	0.426	S	S	*	.	H	α-helix	trans	-62.7	-45.4	173.2	-75.6	169.2	0	0	0	111.5	T1092 A1093 T1098 F1099 S1100	T1092-L1096 WeakPolarHBondContact O-CB 3.12Å; T1092-L1096 WeakPolarHBondContact O-CG 3.45Å; T1092-L1096 PolarHBondContact O-N 2.95Å; A1093-L1096 PolarHBondContact O-N 3.44Å; L1096-T1098 PolarHBondContact O-N 2.85Å; L1096-F1099 PolarHBondContact O-N 3.4Å; L1096-S1100 PolarHBondContact O-N 2.92Å; L1096-S1100 PolarHBondContact O-OG 3.39Å; L1096-S1100 VanDerWaalsContact O-OG 3.13Å
1097	F	64.7	Low	62.9	Low	109 Å²	109	78.3 Å²	78.3	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-59.5	-45.7	176.6	178.8	-107.3	0	0	0	112.2	A1093 W1094 F1099 S1100 I1101	A1093-F1097 WeakPolarHBondContact O-CB 3.39Å; A1093-F1097 PolarHBondContact O-N 3Å; W1094-F1097 HydrophobicContact CE3-CD1 4Å; W1094-F1097 HydrophobicContact CH2-CD1 4.2Å; W1094-F1097 HydrophobicContact CH2-CE1 4.24Å; W1094-F1097 AromaticContact CZ3-CD1 3.69Å; W1094-F1097 HydrophobicContact CZ3-CD1 3.69Å; W1094-F1097 AromaticContact CZ3-CE1 3.94Å; W1094-F1097 HydrophobicContact CZ3-CE1 3.94Å; W1094-F1097 PolarHBondContact O-N 2.67Å; F1097-F1099 VanDerWaalsContact C-N 3.35Å; F1097-F1099 PolarHBondContact O-N 3.08Å; F1097-S1100 PolarHBondContact O-N 2.93Å; F1097-I1101 HydrophobicContact CD1-CD1 4Å; F1097-I1101 HydrophobicContact CE1-CD1 3.45Å; F1097-I1101 VanDerWaalsContact CE1-CD1 3.45Å; F1097-I1101 HydrophobicContact CE2-CD1 4.26Å; F1097-I1101 HydrophobicContact CZ-CD1 3.6Å; F1097-I1101 HydrophobicContact CZ-CG1 4.41Å; F1097-I1101 PolarHBondContact O-N 3.29Å; F1097-I1101 VanDerWaalsContact O-N 3.08Å
1098	T	62.3	Low	62.7	Low	17 Å²	17	83.5 Å²	83.5	10%	0.104	43%	0.43	C	S	.	.	H	α-helix	trans	-63.3	-41.2	178.4	-52.4	0	0	0	0	111.4	L1069 W1094 W1095 L1096 I1101 I1102	L1069-T1098 HydrophobicContact CD2-CG2 3.89Å; W1094-T1098 PolarHBondContact O-N 2.78Å; W1094-T1098 PolarHBondContact O-OG1 2.85Å; W1095-T1098 PolarHBondContact O-N 3.21Å; L1096-T1098 PolarHBondContact O-N 2.85Å; T1098-I1101 PolarHBondContact O-N 3.01Å; T1098-I1102 HydrophobicContact CG2-CD1 4.38Å; T1098-I1102 WeakPolarHBondContact O-CG1 3.37Å; T1098-I1102 PolarHBondContact O-N 2.99Å
1099	F	64.7	Low	62.1	Low	122 Å²	122	79.5 Å²	79.5	54%	0.535	42%	0.419	S	S	.	.	H	α-helix	trans	-63.6	-43.1	174.8	178.7	-97.2	0	0	0	112.3	W1095 L1096 F1097 I1101 I1102 A1103	W1095-F1099 WeakPolarHBondContact O-CB 3.24Å; W1095-F1099 PolarHBondContact O-N 3.12Å; L1096-F1099 PolarHBondContact O-N 3.4Å; F1097-F1099 VanDerWaalsContact C-N 3.35Å; F1097-F1099 PolarHBondContact O-N 3.08Å; F1099-I1101 VanDerWaalsContact C-N 3.32Å; F1099-I1101 PolarHBondContact O-N 3.41Å; F1099-I1102 PolarHBondContact O-N 3.17Å; F1099-A1103 WeakPolarHBondContact O-CB 3.43Å; F1099-A1103 PolarHBondContact O-N 2.87Å
1100	S	61.3	Low	61.2	Low	72 Å²	72	75.7 Å²	75.7	50%	0.503	40%	0.403	S	S	.	.	H	α-helix	trans	-59.8	-40.2	176.8	-66.5	0	0	0	0	112.6	L1096 F1097 A1103 S1104	L1096-S1100 PolarHBondContact O-N 2.92Å; L1096-S1100 PolarHBondContact O-OG 3.39Å; L1096-S1100 VanDerWaalsContact O-OG 3.13Å; F1097-S1100 PolarHBondContact O-N 2.93Å; S1100-A1103 PolarHBondContact O-N 3.47Å; S1100-S1104 WeakPolarHBondContact O-CB 3.29Å; S1100-S1104 PolarHBondContact O-N 3.12Å; S1100-S1104 PolarHBondContact O-OG 2.85Å
1101	I	66	Low	60.4	Low	82 Å²	82	72.5 Å²	72.5	42%	0.421	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-49.3	175.5	-70	173.7	0	0	0	110.5	F1097 T1098 F1099 A1103 S1104 Y1105	F1097-I1101 HydrophobicContact CD1-CD1 4Å; F1097-I1101 HydrophobicContact CE1-CD1 3.45Å; F1097-I1101 VanDerWaalsContact CE1-CD1 3.45Å; F1097-I1101 HydrophobicContact CE2-CD1 4.26Å; F1097-I1101 HydrophobicContact CZ-CD1 3.6Å; F1097-I1101 HydrophobicContact CZ-CG1 4.41Å; F1097-I1101 PolarHBondContact O-N 3.29Å; F1097-I1101 VanDerWaalsContact O-N 3.08Å; T1098-I1101 PolarHBondContact O-N 3.01Å; F1099-I1101 VanDerWaalsContact C-N 3.32Å; F1099-I1101 PolarHBondContact O-N 3.41Å; I1101-A1103 PolarHBondContact O-N 2.99Å; I1101-S1104 PolarHBondContact O-N 3.27Å; I1101-S1104 PolarHBondContact O-OG 3.43Å; I1101-Y1105 PolarHBondContact O-N 3.06Å
1102	I	64.3	Low	59.5	Low	88 Å²	88	77.5 Å²	77.5	45%	0.451	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-43.6	-179.4	-63.9	168.5	0	0	0	110.8	T1098 F1099 S1104 Y1105 T1106	T1098-I1102 HydrophobicContact CG2-CD1 4.38Å; T1098-I1102 WeakPolarHBondContact O-CG1 3.37Å; T1098-I1102 PolarHBondContact O-N 2.99Å; F1099-I1102 PolarHBondContact O-N 3.17Å; I1102-S1104 PolarHBondContact O-N 2.68Å; I1102-Y1105 PolarHBondContact O-N 3.07Å; I1102-T1106 HydrophobicContact CG2-CG2 4.47Å; I1102-T1106 WeakPolarHBondContact O-CG2 3.39Å; I1102-T1106 PolarHBondContact O-N 2.94Å; I1102-T1106 PolarHBondContact O-OG1 3.44Å
1103	A	57.3	Low	58.7	Low	25 Å²	25	77.4 Å²	77.4	21%	0.207	40%	0.402	C	S	.	.	H	α-helix	trans	-59.2	-46.3	177	0	0	0	0	0	111.7	F1099 S1100 I1101 Y1105 T1106 A1107	F1099-A1103 WeakPolarHBondContact O-CB 3.43Å; F1099-A1103 PolarHBondContact O-N 2.87Å; S1100-A1103 PolarHBondContact O-N 3.47Å; I1101-A1103 PolarHBondContact O-N 2.99Å; A1103-Y1105 VanDerWaalsContact C-N 3.34Å; A1103-Y1105 PolarHBondContact O-N 3.27Å; A1103-T1106 WeakPolarHBondContact CA-OG1 3.45Å; A1103-T1106 PolarHBondContact O-N 3.26Å; A1103-T1106 PolarHBondContact O-OG1 3.04Å; A1103-A1107 WeakPolarHBondContact O-CB 3.28Å; A1103-A1107 PolarHBondContact O-N 3.3Å
1104	S	60.9	Low	57.8	Low	63 Å²	63	83.5 Å²	83.5	44%	0.441	42%	0.419	S	S	.	.	H	α-helix	trans	-62.2	-39.6	177.6	72	0	0	0	0	112.6	S1100 I1101 I1102 A1107 N1108	S1100-S1104 WeakPolarHBondContact O-CB 3.29Å; S1100-S1104 PolarHBondContact O-N 3.12Å; S1100-S1104 PolarHBondContact O-OG 2.85Å; I1101-S1104 PolarHBondContact O-N 3.27Å; I1101-S1104 PolarHBondContact O-OG 3.43Å; I1102-S1104 PolarHBondContact O-N 2.68Å; S1104-A1107 PolarHBondContact O-N 3.05Å; S1104-N1108 WeakPolarHBondContact O-CB 3.15Å; S1104-N1108 PolarHBondContact O-N 3.06Å
1105	Y	60.8	Low	56.9	Low	66 Å²	66	87.9 Å²	87.9	26%	0.259	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-46.3	175.4	-175	-100.1	0	0	0	111.3	L1057 I1060 V1061 I1101 I1102 A1103 A1107 N1108 L1109	L1057-Y1105 PolarHBondContact O-OH 3.48Å; I1060-Y1105 HydrophobicContact CG2-CE2 4.09Å; V1061-Y1105 HydrophobicContact CG2-CE2 4Å; I1101-Y1105 PolarHBondContact O-N 3.06Å; I1102-Y1105 PolarHBondContact O-N 3.07Å; A1103-Y1105 VanDerWaalsContact C-N 3.34Å; A1103-Y1105 PolarHBondContact O-N 3.27Å; Y1105-A1107 VanDerWaalsContact C-N 3.32Å; Y1105-A1107 PolarHBondContact O-N 3.3Å; Y1105-N1108 PolarHBondContact O-N 3.04Å; Y1105-L1109 VanDerWaalsContact O-CB 3.27Å; Y1105-L1109 WeakPolarHBondContact O-CB 3.43Å; Y1105-L1109 PolarHBondContact O-N 2.99Å
1106	T	51.7	Low	55.9	Low	73 Å²	73	86.5 Å²	86.5	45%	0.448	44%	0.438	S	S	.	.	H	α-helix	trans	-64	-35.9	178.1	56.1	0	0	0	0	112.9	I1102 A1103 A1110	I1102-T1106 HydrophobicContact CG2-CG2 4.47Å; I1102-T1106 WeakPolarHBondContact O-CG2 3.39Å; I1102-T1106 PolarHBondContact O-N 2.94Å; I1102-T1106 PolarHBondContact O-OG1 3.44Å; A1103-T1106 WeakPolarHBondContact CA-OG1 3.45Å; A1103-T1106 PolarHBondContact O-N 3.26Å; A1103-T1106 PolarHBondContact O-OG1 3.04Å; T1106-A1110 WeakPolarHBondContact O-CB 3.29Å; T1106-A1110 PolarHBondContact O-N 3.29Å
1107	A	53.2	Low	55	Low	11 Å²	11	86.2 Å²	86.2	9%	0.091	44%	0.437	C	S	.	.	H	α-helix	trans	-66.8	-45.3	175.8	0	0	0	0	0	111.4	L414 A1103 S1104 Y1105 A1110 A1111	L414-A1107 HydrophobicContact CD1-CB 4.04Å; L414-A1107 HydrophobicContact CG-CB 4.36Å; A1103-A1107 WeakPolarHBondContact O-CB 3.28Å; A1103-A1107 PolarHBondContact O-N 3.3Å; S1104-A1107 PolarHBondContact O-N 3.05Å; Y1105-A1107 VanDerWaalsContact C-N 3.32Å; Y1105-A1107 PolarHBondContact O-N 3.3Å; A1107-A1110 PolarHBondContact O-N 3.22Å; A1107-A1111 WeakPolarHBondContact O-CB 3.23Å; A1107-A1111 PolarHBondContact O-N 3.49Å
1108	N	57.3	Low	54.1	Low	122 Å²	122	84.4 Å²	84.4	65%	0.652	44%	0.436	S	S	*	.	H	α-helix	trans	-66.9	-40.1	179.7	-155.9	13.9	0	0	0	111.7	S1104 Y1105 A1110 R1112	S1104-N1108 WeakPolarHBondContact O-CB 3.15Å; S1104-N1108 PolarHBondContact O-N 3.06Å; Y1105-N1108 PolarHBondContact O-N 3.04Å; N1108-A1110 PolarHBondContact O-N 2.72Å; N1108-R1112 WeakPolarHBondContact O-CB 3.38Å; N1108-R1112 PolarHBondContact O-N 3.17Å
1109	L	53.5	Low	53.2	Low	45 Å²	45	86.1 Å²	86.1	24%	0.236	44%	0.443	C	S	.	.	H	α-helix	trans	-57.4	-49.2	172.7	-173	77.3	0	0	0	111.5	L1057 Y1105 R1112 L1113	L1057-L1109 HydrophobicContact CD1-CD1 3.39Å; L1057-L1109 HydrophobicContact CD2-CD1 4.01Å; L1057-L1109 HydrophobicContact CD2-CD2 4.32Å; L1057-L1109 HydrophobicContact CG-CD1 3.66Å; Y1105-L1109 VanDerWaalsContact O-CB 3.27Å; Y1105-L1109 WeakPolarHBondContact O-CB 3.43Å; Y1105-L1109 PolarHBondContact O-N 2.99Å; L1109-R1112 WeakPolarHBondContact O-CB 3.23Å; L1109-R1112 PolarHBondContact O-N 2.77Å; L1109-L1113 HydrophobicContact CG-CD1 4.39Å; L1109-L1113 WeakPolarHBondContact O-CG 3.39Å; L1109-L1113 PolarHBondContact O-N 3.2Å
1110	A	46.7	Very low	52.4	Low	24 Å²	24	83.6 Å²	83.6	20%	0.198	44%	0.441	C	S	.	.	H	α-helix	trans	-73.6	-33.2	-175.3	0	0	0	0	0	113	I417 T1106 A1107 N1108 R1112 L1113 K1114	I417-A1110 HydrophobicContact CB-CB 4.23Å; I417-A1110 HydrophobicContact CG2-CB 3.17Å; T1106-A1110 WeakPolarHBondContact O-CB 3.29Å; T1106-A1110 PolarHBondContact O-N 3.29Å; A1107-A1110 PolarHBondContact O-N 3.22Å; N1108-A1110 PolarHBondContact O-N 2.72Å; A1110-R1112 VanDerWaalsContact C-N 3.27Å; A1110-R1112 PolarHBondContact O-N 3.28Å; A1110-L1113 PolarHBondContact O-N 3.27Å; A1110-K1114 PolarHBondContact O-N 3.39Å; A1110-K1114 VanDerWaalsContact O-N 3.09Å
1111	A	48.9	Very low	52.1	Low	53 Å²	53	87.5 Å²	87.5	44%	0.438	45%	0.451	S	S	.	.	H	α-helix	trans	-60.3	-39.3	167.9	0	0	0	0	0	111.4	A1107 K1114 Y1115	A1107-A1111 WeakPolarHBondContact O-CB 3.23Å; A1107-A1111 PolarHBondContact O-N 3.49Å; A1111-K1114 PolarHBondContact O-N 3.23Å; A1111-Y1115 PolarHBondContact O-N 3.43Å
1112	R	49.5	Very low	51.6	Low	170 Å²	170	84.6 Å²	84.6	64%	0.642	44%	0.436	S	S	*	.	H	α-helix	trans	-70.1	-40.1	176.3	-162.9	73.8	179.6	-178.7	2.1	112.6	N1108 L1109 A1110 K1114 Y1115 L1116	N1108-R1112 WeakPolarHBondContact O-CB 3.38Å; N1108-R1112 PolarHBondContact O-N 3.17Å; L1109-R1112 WeakPolarHBondContact O-CB 3.23Å; L1109-R1112 PolarHBondContact O-N 2.77Å; A1110-R1112 VanDerWaalsContact C-N 3.27Å; A1110-R1112 PolarHBondContact O-N 3.28Å; R1112-K1114 VanDerWaalsContact C-N 3.28Å; R1112-K1114 PolarHBondContact O-N 2.91Å; R1112-Y1115 CarbonylContact O-C 3.48Å; R1112-Y1115 WeakPolarHBondContact O-CB 3.11Å; R1112-Y1115 PolarHBondContact O-N 2.99Å; R1112-Y1115 VanDerWaalsContact O-N 3.07Å; R1112-L1116 HydrophobicContact CG-CD1 3.96Å; R1112-L1116 WeakPolarHBondContact O-CB 3.42Å; R1112-L1116 WeakPolarHBondContact O-CG 3.38Å; R1112-L1116 PolarHBondContact O-N 2.84Å
1113	L	45.5	Very low	51.2	Low	81 Å²	81	86 Å²	86	42%	0.424	44%	0.44	S	S	.	.	H	α-helix	trans	-61.4	-37.7	175.9	-73.1	173.4	0	0	0	111.8	L1109 A1110 Y1115 L1116 D1117	L1109-L1113 HydrophobicContact CG-CD1 4.39Å; L1109-L1113 WeakPolarHBondContact O-CG 3.39Å; L1109-L1113 PolarHBondContact O-N 3.2Å; A1110-L1113 PolarHBondContact O-N 3.27Å; L1113-Y1115 PolarHBondContact O-N 3.38Å; L1113-L1116 CarbonylContact O-C 3.32Å; L1113-L1116 WeakPolarHBondContact O-CA 3.47Å; L1113-L1116 PolarHBondContact O-N 3Å; L1113-D1117 PolarHBondContact O-N 3.12Å; L1113-D1117 VanDerWaalsContact O-N 3.14Å
1114	K	47.1	Very low	51.3	Low	180 Å²	180	87.9 Å²	87.9	78%	0.783	45%	0.45	S	S	*	.	H	α-helix	trans	-63.3	-29.3	174.2	-166.2	176.7	-178.8	-173.6	0	113.2	A1110 A1111 R1112	A1110-K1114 PolarHBondContact O-N 3.39Å; A1110-K1114 VanDerWaalsContact O-N 3.09Å; A1111-K1114 PolarHBondContact O-N 3.23Å; R1112-K1114 VanDerWaalsContact C-N 3.28Å; R1112-K1114 PolarHBondContact O-N 2.91Å
1115	Y	48.7	Very low	51.5	Low	211 Å²	211	85.8 Å²	85.8	83%	0.827	43%	0.434	S	S	*	.	H	α-helix	trans	-82.9	-17.4	173.1	-128.7	-80.6	0	0	0	112.8	A1111 R1112 L1113	A1111-Y1115 PolarHBondContact O-N 3.43Å; R1112-Y1115 CarbonylContact O-C 3.48Å; R1112-Y1115 WeakPolarHBondContact O-CB 3.11Å; R1112-Y1115 PolarHBondContact O-N 2.99Å; R1112-Y1115 VanDerWaalsContact O-N 3.07Å; L1113-Y1115 PolarHBondContact O-N 3.38Å
1116	L	46.6	Very low	51.7	Low	94 Å²	94	85.8 Å²	85.8	49%	0.492	44%	0.438	S	S	.	.	S	Bend	trans	-101.3	12.4	-180	-73.2	168.1	0	0	0	112.8	R1112 L1113 P1118	R1112-L1116 HydrophobicContact CG-CD1 3.96Å; R1112-L1116 WeakPolarHBondContact O-CB 3.42Å; R1112-L1116 WeakPolarHBondContact O-CG 3.38Å; R1112-L1116 PolarHBondContact O-N 2.84Å; L1113-L1116 CarbonylContact O-C 3.32Å; L1113-L1116 WeakPolarHBondContact O-CA 3.47Å; L1113-L1116 PolarHBondContact O-N 3Å; L1116-P1118 WeakPolarHBondContact O-CD 3.38Å
1117	D	43.7	Very low	52.3	Low	103 Å²	103	85.7 Å²	85.7	55%	0.551	43%	0.432	S	S	*	.			trans	-102.4	73.4	176.3	-142.6	-3.7	0	0	0	109.8	L1113 Q1119	L1113-D1117 PolarHBondContact O-N 3.12Å; L1113-D1117 VanDerWaalsContact O-N 3.14Å; D1117-Q1119 PolarHBondContact O-N 3.26Å
1118	P	45.3	Very low	52.8	Low	70 Å²	70	85.2 Å²	85.2	46%	0.455	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-72.3	-1.7	178.6	30.8	-35.6	0	0	0	112.9	Q1048 L1116 S1120	Q1048-P1118 HydrophobicContact CB-CG 4.25Å; Q1048-P1118 HydrophobicContact CG-CB 4.42Å; Q1048-P1118 HydrophobicContact CG-CG 4.39Å; L1116-P1118 WeakPolarHBondContact O-CD 3.38Å; P1118-S1120 PolarHBondContact O-N 2.94Å
1119	Q	44.9	Very low	53.3	Low	54 Å²	54	81.5 Å²	81.5	25%	0.252	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-72.6	-6.7	-174.5	-69	-77.2	-33.5	0	0	113.8	Q1048 D1117	Q1048-Q1119 PolarHBondContact O-NE2 3.37Å; D1117-Q1119 PolarHBondContact O-N 3.26Å
1120	S	48.3	Very low	53.9	Low	69 Å²	69	88.6 Å²	88.6	48%	0.483	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-117.7	15	-172.5	74.4	0	0	0	0	116.5	P1118 L1122	P1118-S1120 PolarHBondContact O-N 2.94Å; S1120-L1122 VanDerWaalsContact C-N 3.35Å
1121	E	54.5	Low	55	Low	154 Å²	154	89.3 Å²	89.3	72%	0.72	43%	0.431	S	S	*	.	S	Bend	trans	-73.5	-23.6	-178.7	-96.8	-170.8	168.6	0	0	113.9
1122	L	54.9	Low	56	Low	21 Å²	21	92.6 Å²	92.6	11%	0.11	45%	0.446	C	S	.	.			trans	-133.9	97.6	-173.6	-65.8	146	0	0	0	111.5	I1045 S1120 Q1127 L1128 Q1131 I1134 F1280	I1045-L1122 HydrophobicContact CD1-CD1 3.65Å; S1120-L1122 VanDerWaalsContact C-N 3.35Å; L1122-Q1127 HydrophobicContact CD2-CB 4.35Å; L1122-L1128 HydrophobicContact CD2-CB 4.18Å; L1122-L1128 HydrophobicContact CD2-CD1 3.85Å; L1122-Q1131 HydrophobicContact CD2-CG 4.19Å; L1122-I1134 HydrophobicContact CD1-CD1 3.24Å; L1122-I1134 HydrophobicContact CG-CD1 4.49Å; L1122-F1280 HydrophobicContact CB-CD1 3.93Å; L1122-F1280 HydrophobicContact CB-CE1 3.5Å; L1122-F1280 VanDerWaalsContact CB-CE1 3.5Å; L1122-F1280 HydrophobicContact CB-CZ 4.09Å; L1122-F1280 HydrophobicContact CG-CE1 4.48Å; L1122-F1280 WeakPolarHBondContact O-CD1 3.48Å; L1122-F1280 VanDerWaalsContact O-CG 3.26Å; L1122-F1280 WeakPolarHBondContact O-CG 3.36Å
1123	E	55.6	Low	57	Low	116 Å²	116	92.6 Å²	92.6	54%	0.542	45%	0.451	S	S	.	.	S	Bend	trans	-115.5	-18.3	169.7	-67.3	-174.6	172.7	0	0	112.2	F1280	E1123-F1280 VanDerWaalsContact O-CD2 3.24Å; E1123-F1280 WeakPolarHBondContact O-CD2 3.33Å
1124	T	59.5	Low	58.4	Low	65 Å²	65	89.8 Å²	89.8	40%	0.399	44%	0.436	S	S	.	.	S	Bend	trans	-131.8	150.2	-172.2	59.1	0	0	0	0	112.5	D1126 Q1127 L1128	T1124-D1126 PolarHBondContact O-N 3.27Å; T1124-Q1127 WeakPolarHBondContact O-CB 3.42Å; T1124-Q1127 PolarHBondContact O-N 2.68Å; T1124-Q1127 VanDerWaalsContact O-N 3.07Å; T1124-Q1127 VanDerWaalsContact OG1-CD 3.3Å; T1124-Q1127 WeakPolarHBondContact OG1-CG 3.03Å; T1124-Q1127 PolarHBondContact OG1-N 3.15Å; T1124-Q1127 PolarHBondContact OG1-OE1 2.9Å; T1124-L1128 PolarHBondContact O-N 2.77Å
1125	L	64.8	Low	60.1	Low	20 Å²	20	83.9 Å²	83.9	11%	0.105	41%	0.412	C	S	.	.	H	α-helix	trans	-56.8	-34.9	173.4	-177.8	62.9	0	0	0	112.1	Q1127 L1128 L1129 Y1190 V1193 I1282	L1125-Q1127 VanDerWaalsContact C-N 3.3Å; L1125-Q1127 PolarHBondContact O-N 3.14Å; L1125-L1128 HydrophobicContact CD1-CD2 4.19Å; L1125-L1128 WeakPolarHBondContact O-CB 3.17Å; L1125-L1128 PolarHBondContact O-N 2.73Å; L1125-L1128 VanDerWaalsContact O-N 3.14Å; L1125-L1129 PolarHBondContact O-N 2.73Å; L1125-Y1190 HydrophobicContact CD2-CE1 3.8Å; L1125-V1193 HydrophobicContact CD1-CG2 4.28Å; L1125-I1282 HydrophobicContact CB-CG1 4.36Å; L1125-I1282 HydrophobicContact CB-CG2 4.08Å; L1125-I1282 HydrophobicContact CD1-CD1 4Å; L1125-I1282 HydrophobicContact CD1-CG1 4.42Å; L1125-I1282 HydrophobicContact CD1-CG2 4.23Å; L1125-I1282 HydrophobicContact CD2-CG2 3.96Å; L1125-I1282 HydrophobicContact CG-CG2 4.32Å
1126	D	65.6	Low	61.9	Low	65 Å²	65	74.1 Å²	74.1	35%	0.348	37%	0.374	S	S	.	.	H	α-helix	trans	-65.2	-32.2	177.6	-76.7	-24.7	0	0	0	112.7	T1124 R1130 K1189	T1124-D1126 PolarHBondContact O-N 3.27Å; D1126-R1130 WeakPolarHBondContact O-CG 3.49Å; D1126-R1130 PolarHBondContact O-N 3.21Å; D1126-K1189 VanDerWaalsContact CG-NZ 3.31Å; D1126-K1189 WeakPolarHBondContact OD1-CE 3.4Å; D1126-K1189 IonicContact OD1-NZ 2.66Å; D1126-K1189 PolarHBondContact OD1-NZ 3.01Å; D1126-K1189 IonicContact OD2-NZ 3.26Å; D1126-K1189 PolarHBondContact OD2-NZ 3.12Å; D1126-K1189 VanDerWaalsContact OD2-NZ 3.11Å
1127	Q	63.4	Low	63.9	Low	71 Å²	71	69.7 Å²	69.7	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-70.5	-40.2	171.5	-74	163.4	-32.6	0	0	111.3	L1122 T1124 L1125 L1129 R1130 Q1131	L1122-Q1127 HydrophobicContact CD2-CB 4.35Å; T1124-Q1127 WeakPolarHBondContact O-CB 3.42Å; T1124-Q1127 PolarHBondContact O-N 2.68Å; T1124-Q1127 VanDerWaalsContact O-N 3.07Å; T1124-Q1127 VanDerWaalsContact OG1-CD 3.3Å; T1124-Q1127 WeakPolarHBondContact OG1-CG 3.03Å; T1124-Q1127 PolarHBondContact OG1-N 3.15Å; T1124-Q1127 PolarHBondContact OG1-OE1 2.9Å; L1125-Q1127 VanDerWaalsContact C-N 3.3Å; L1125-Q1127 PolarHBondContact O-N 3.14Å; Q1127-L1129 VanDerWaalsContact C-N 3.26Å; Q1127-L1129 PolarHBondContact O-N 3.13Å; Q1127-R1130 PolarHBondContact O-N 2.86Å; Q1127-Q1131 WeakPolarHBondContact O-CG 3.49Å; Q1127-Q1131 PolarHBondContact O-N 3.22Å
1128	L	65.5	Low	65.8	Low	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-32.4	176.4	-167.9	73.2	0	0	0	112.5	L1122 T1124 L1125 Q1131 Y1136 F1280 I1282	L1122-L1128 HydrophobicContact CD2-CB 4.18Å; L1122-L1128 HydrophobicContact CD2-CD1 3.85Å; T1124-L1128 PolarHBondContact O-N 2.77Å; L1125-L1128 HydrophobicContact CD1-CD2 4.19Å; L1125-L1128 WeakPolarHBondContact O-CB 3.17Å; L1125-L1128 PolarHBondContact O-N 2.73Å; L1125-L1128 VanDerWaalsContact O-N 3.14Å; L1128-Q1131 WeakPolarHBondContact O-CG 3.46Å; L1128-Q1131 PolarHBondContact O-NE2 3.22Å; L1128-Y1136 HydrophobicContact CD1-CD1 3.77Å; L1128-Y1136 HydrophobicContact CD1-CE1 4.25Å; L1128-Y1136 HydrophobicContact CD1-CG 4.35Å; L1128-Y1136 HydrophobicContact CD2-CD1 3.93Å; L1128-Y1136 HydrophobicContact CD2-CD2 4.2Å; L1128-Y1136 HydrophobicContact CD2-CE1 4.13Å; L1128-Y1136 HydrophobicContact CD2-CE2 4.4Å; L1128-Y1136 HydrophobicContact CD2-CG 3.96Å; L1128-Y1136 HydrophobicContact CG-CD1 3.7Å; L1128-Y1136 HydrophobicContact CG-CE1 3.75Å; L1128-Y1136 HydrophobicContact CG-CG 4.26Å; L1128-F1280 HydrophobicContact CB-CZ 4.5Å; L1128-I1282 HydrophobicContact CD2-CD1 4.46Å
1129	L	67.4	Low	67.5	Low	44 Å²	44	61.8 Å²	61.8	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-75	-29.7	175.9	-79.1	174.9	0	0	0	114.1	L1125 Q1127 K1189 S1192 V1193	L1125-L1129 PolarHBondContact O-N 2.73Å; Q1127-L1129 VanDerWaalsContact C-N 3.26Å; Q1127-L1129 PolarHBondContact O-N 3.13Å; L1129-K1189 HydrophobicContact CD1-CB 3.81Å; L1129-K1189 HydrophobicContact CD1-CD 4.28Å; L1129-K1189 HydrophobicContact CD1-CG 4.01Å; L1129-S1192 WeakPolarHBondContact CD2-OG 3.04Å; L1129-V1193 HydrophobicContact CD1-CG2 4.43Å; L1129-V1193 HydrophobicContact CD2-CG2 3.45Å; L1129-V1193 VanDerWaalsContact CD2-CG2 3.45Å; L1129-V1193 HydrophobicContact CG-CG2 4.13Å
1130	R	66.1	Low	69	Low	194 Å²	194	62.3 Å²	62.3	73%	0.732	32%	0.315	S	S	*	.	H	α-helix	trans	-81.9	-25.4	-179.3	-72.7	175.7	-172.6	-169.4	3	112.9	D1126 Q1127	D1126-R1130 WeakPolarHBondContact O-CG 3.49Å; D1126-R1130 PolarHBondContact O-N 3.21Å; Q1127-R1130 PolarHBondContact O-N 2.86Å
1131	Q	69.7	Low	70	Confident	39 Å²	39	60 Å²	60	18%	0.182	30%	0.302	C	S	.	.			trans	-84.9	149.3	179.7	69.9	73.9	27.2	0	0	111.5	L1122 Q1127 L1128 I1134	L1122-Q1131 HydrophobicContact CD2-CG 4.19Å; Q1127-Q1131 WeakPolarHBondContact O-CG 3.49Å; Q1127-Q1131 PolarHBondContact O-N 3.22Å; L1128-Q1131 WeakPolarHBondContact O-CG 3.46Å; L1128-Q1131 PolarHBondContact O-NE2 3.22Å; Q1131-I1134 PolarHBondContact NE2-O 2.88Å; Q1131-I1134 PolarHBondContact OE1-O 3.01Å
1132	T	68.5	Low	70.8	Confident	122 Å²	122	53.5 Å²	53.5	75%	0.748	27%	0.273	S	S	*	.	S	Bend	trans	-119.9	-4.7	176.9	55.9	0	0	0	0	114
1133	K	71.1	Confident	71.4	Confident	171 Å²	171	53.7 Å²	53.7	74%	0.743	28%	0.277	S	S	*	.	S	Bend	trans	-84.9	-29.3	-172.4	-68.9	-176.8	-179.5	176.2	0	113.5
1134	I	75.1	Confident	72.2	Confident	21 Å²	21	48.4 Å²	48.4	11%	0.108	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.6	-175.4	-57.6	166.1	0	0	0	107.4	L1122 Q1131 S1222 A1224	L1122-I1134 HydrophobicContact CD1-CD1 3.24Å; L1122-I1134 HydrophobicContact CG-CD1 4.49Å; Q1131-I1134 PolarHBondContact NE2-O 2.88Å; Q1131-I1134 PolarHBondContact OE1-O 3.01Å; I1134-S1222 CarbonylContact C-O 3.37Å; I1134-S1222 WeakPolarHBondContact CA-O 3.39Å; I1134-A1224 HydrophobicContact CG2-CB 3.55Å
1135	L	82.9	Confident	73.1	Confident	56 Å²	56	45.4 Å²	45.4	29%	0.293	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.5	172.2	-57.7	173.4	0	0	0	107.9	F1196 V1200 S1222 F1223 A1224	L1135-F1196 HydrophobicContact CD2-CZ 4Å; L1135-V1200 HydrophobicContact CB-CG1 4.26Å; L1135-V1200 HydrophobicContact CB-CG2 4.26Å; L1135-V1200 HydrophobicContact CD2-CG2 3.95Å; L1135-S1222 PolarHBondContact N-O 3.21Å; L1135-F1223 HydrophobicContact CB-CD2 3.91Å; L1135-F1223 CarbonylContact O-C 3.56Å; L1135-F1223 VanDerWaalsContact O-CA 3.27Å; L1135-F1223 WeakPolarHBondContact O-CA 3.47Å; L1135-A1224 PolarHBondContact O-N 2.88Å
1136	Y	86.5	Confident	73.4	Confident	7 Å²	7	46.6 Å²	46.6	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.6	179.6	57.7	-98	0	0	0	110.9	L1128 V1193 F1196 M1197 A1224 I1226	L1128-Y1136 HydrophobicContact CD1-CD1 3.77Å; L1128-Y1136 HydrophobicContact CD1-CE1 4.25Å; L1128-Y1136 HydrophobicContact CD1-CG 4.35Å; L1128-Y1136 HydrophobicContact CD2-CD1 3.93Å; L1128-Y1136 HydrophobicContact CD2-CD2 4.2Å; L1128-Y1136 HydrophobicContact CD2-CE1 4.13Å; L1128-Y1136 HydrophobicContact CD2-CE2 4.4Å; L1128-Y1136 HydrophobicContact CD2-CG 3.96Å; L1128-Y1136 HydrophobicContact CG-CD1 3.7Å; L1128-Y1136 HydrophobicContact CG-CE1 3.75Å; L1128-Y1136 HydrophobicContact CG-CG 4.26Å; Y1136-V1193 HydrophobicContact CE2-CG1 3.78Å; Y1136-F1196 AromaticContact CD1-CD1 3.9Å; Y1136-F1196 HydrophobicContact CD1-CD1 3.9Å; Y1136-F1196 AromaticContact CD1-CE1 3.51Å; Y1136-F1196 HydrophobicContact CD1-CE1 3.51Å; Y1136-F1196 HydrophobicContact CD1-CZ 4.48Å; Y1136-F1196 AromaticContact CD2-CD1 3.94Å; Y1136-F1196 HydrophobicContact CD2-CD1 3.94Å; Y1136-F1196 HydrophobicContact CD2-CE1 4.28Å; Y1136-F1196 AromaticContact CE1-CD1 3.46Å; Y1136-F1196 HydrophobicContact CE1-CD1 3.46Å; Y1136-F1196 VanDerWaalsContact CE1-CD1 3.46Å; Y1136-F1196 AromaticContact CE1-CE1 3.36Å; Y1136-F1196 HydrophobicContact CE1-CE1 3.36Å; Y1136-F1196 HydrophobicContact CE1-CG 4.33Å; Y1136-F1196 HydrophobicContact CE1-CZ 4.2Å; Y1136-F1196 HydrophobicContact CE2-CB 4.43Å; Y1136-F1196 AromaticContact CE2-CD1 3.48Å; Y1136-F1196 HydrophobicContact CE2-CD1 3.48Å; Y1136-F1196 VanDerWaalsContact CE2-CD1 3.48Å; Y1136-F1196 HydrophobicContact CE2-CE1 4.14Å; Y1136-F1196 HydrophobicContact CE2-CG 4.33Å; Y1136-F1196 HydrophobicContact CG-CD1 4.12Å; Y1136-F1196 AromaticContact CG-CE1 3.98Å; Y1136-F1196 HydrophobicContact CG-CE1 3.98Å; Y1136-F1196 AromaticContact CZ-CD1 3.24Å; Y1136-F1196 AromaticContact CZ-CE1 3.71Å; Y1136-F1196 AromaticContact CZ-CG 3.92Å; Y1136-M1197 HydrophobicContact CD2-CG 3.95Å; Y1136-M1197 HydrophobicContact CE2-CG 4.03Å; Y1136-A1224 WeakPolarHBondContact CA-O 2.93Å; Y1136-I1226 HydrophobicContact CD2-CD1 3.8Å; Y1136-I1226 HydrophobicContact CG-CD1 4.4Å
1137	S	87.6	Confident	73.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	160.8	177.4	-162.9	0	0	0	0	110.8	G1201 M1202 A1224 I1226	S1137-G1201 PolarHBondContact OG-O 3.06Å; S1137-M1202 WeakPolarHBondContact OG-CA 3.49Å; S1137-A1224 PolarHBondContact N-O 2.82Å; S1137-I1226 PolarHBondContact O-N 3.15Å
1138	A	84.4	Confident	74.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	164.7	173.6	0	0	0	0	0	110.4	E1144 A1145 M1197 L1203 I1226	A1138-E1144 HydrophobicContact CB-CB 4.43Å; A1138-A1145 HydrophobicContact CB-CB 3.98Å; A1138-M1197 HydrophobicContact CB-SD 4.36Å; A1138-L1203 PolarHBondContact O-N 3.35Å; A1138-L1203 VanDerWaalsContact O-N 3.15Å; A1138-I1226 HydrophobicContact CB-CB 4.44Å
1139	V	80.3	Confident	75.2	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.042	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-74.7	130.7	175.7	-178.8	0	0	0	0	109.4	G1141 T1142 A1145 L1203 Y1206 L1225	V1139-G1141 PolarHBondContact O-N 2.97Å; V1139-T1142 HydrophobicContact CB-CG2 3.54Å; V1139-T1142 HydrophobicContact CG1-CG2 3.65Å; V1139-T1142 PolarHBondContact O-N 3.36Å; V1139-T1142 PolarHBondContact O-OG1 2.79Å; V1139-A1145 VanDerWaalsContact O-CB 3.25Å; V1139-A1145 WeakPolarHBondContact O-CB 3.42Å; V1139-L1203 HydrophobicContact CG2-CB 4.1Å; V1139-L1203 HydrophobicContact CG2-CD1 4.39Å; V1139-Y1206 HydrophobicContact CB-CE1 4.49Å; V1139-Y1206 HydrophobicContact CG2-CD1 3.64Å; V1139-Y1206 HydrophobicContact CG2-CD2 4.37Å; V1139-Y1206 HydrophobicContact CG2-CE1 3.78Å; V1139-Y1206 HydrophobicContact CG2-CE2 4.49Å; V1139-Y1206 HydrophobicContact CG2-CG 3.96Å; V1139-L1225 HydrophobicContact CG2-CD1 4.31Å
1140	S	76.9	Confident	75.1	Confident	65 Å²	65	46.9 Å²	46.9	46%	0.455	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	132.2	-177.4	-164.7	0	0	0	0	110.2	T1142 L1203	S1140-T1142 PolarHBondContact O-N 2.9Å; S1140-L1203 WeakPolarHBondContact CB-O 3.33Å; S1140-L1203 PolarHBondContact N-O 2.78Å
1141	G	70.6	Confident	75.5	Confident	20 Å²	20	38.1 Å²	38.1	21%	0.206	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-20.4	-176.6	0	0	0	0	0	114.3	Y993 V1139	Y993-G1141 WeakPolarHBondContact CE1-O 3.31Å; Y993-G1141 VanDerWaalsContact OH-CA 3.27Å; Y993-G1141 WeakPolarHBondContact OH-CA 3.5Å; Y993-G1141 PolarHBondContact OH-O 3.23Å; V1139-G1141 PolarHBondContact O-N 2.97Å
1142	T	71.1	Confident	76	Confident	18 Å²	18	40.1 Å²	40.1	11%	0.11	21%	0.205	C	C	.	.	S	Bend	trans	-64.1	161.2	-177.8	68.4	0	0	0	0	111.3	V1139 S1140 E1144 A1145 R1146 Y1206	V1139-T1142 HydrophobicContact CB-CG2 3.54Å; V1139-T1142 HydrophobicContact CG1-CG2 3.65Å; V1139-T1142 PolarHBondContact O-N 3.36Å; V1139-T1142 PolarHBondContact O-OG1 2.79Å; S1140-T1142 PolarHBondContact O-N 2.9Å; T1142-E1144 WeakPolarHBondContact CB-OE2 3.17Å; T1142-E1144 PolarHBondContact O-N 3.17Å; T1142-E1144 VanDerWaalsContact O-N 3.14Å; T1142-E1144 PolarHBondContact OG1-OE2 3.35Å; T1142-A1145 PolarHBondContact O-N 3.32Å; T1142-A1145 VanDerWaalsContact O-N 3.1Å; T1142-R1146 PolarHBondContact O-N 2.75Å; T1142-R1146 VanDerWaalsContact O-N 3.07Å; T1142-Y1206 HydrophobicContact CG2-CE2 4.01Å
1143	A	67.2	Low	76.3	Confident	25 Å²	25	37.6 Å²	37.6	21%	0.207	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-30.3	-176	0	0	0	0	0	112	E1020 R1146 Y1147	E1020-A1143 WeakPolarHBondContact OE1-CB 3.43Å; E1020-A1143 WeakPolarHBondContact OE2-CB 3.35Å; A1143-R1146 PolarHBondContact O-N 2.76Å; A1143-Y1147 VanDerWaalsContact O-CB 3.3Å; A1143-Y1147 WeakPolarHBondContact O-CB 3.48Å; A1143-Y1147 PolarHBondContact O-N 2.86Å
1144	E	72	Confident	76	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-47.3	176.1	-51.3	78	-170.1	0	0	111.6	M1041 A1138 T1142 R1146 Y1147 F1148 Y1206 K1228	M1041-E1144 HydrophobicContact CG-CB 4.39Å; M1041-E1144 HydrophobicContact CG-CG 3.93Å; M1041-E1144 HydrophobicContact SD-CB 3.86Å; M1041-E1144 HydrophobicContact SD-CG 4.08Å; A1138-E1144 HydrophobicContact CB-CB 4.43Å; T1142-E1144 WeakPolarHBondContact CB-OE2 3.17Å; T1142-E1144 PolarHBondContact O-N 3.17Å; T1142-E1144 VanDerWaalsContact O-N 3.14Å; T1142-E1144 PolarHBondContact OG1-OE2 3.35Å; E1144-R1146 VanDerWaalsContact C-N 3.32Å; E1144-R1146 PolarHBondContact O-N 2.89Å; E1144-Y1147 WeakPolarHBondContact O-CB 3.21Å; E1144-Y1147 PolarHBondContact O-N 2.72Å; E1144-F1148 WeakPolarHBondContact O-CD2 3.46Å; E1144-F1148 PolarHBondContact O-N 3.38Å; E1144-Y1206 PolarHBondContact OE2-OH 2.92Å; E1144-K1228 WeakPolarHBondContact OE1-CE 3.07Å; E1144-K1228 WeakPolarHBondContact OE1-CG 3.21Å
1145	A	77.9	Confident	75.7	Confident	3 Å²	3	30.1 Å²	30.1	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-42.8	176.2	0	0	0	0	0	111.1	A1138 V1139 T1142 Y1147 F1148 Q1149 W1194 M1202	A1138-A1145 HydrophobicContact CB-CB 3.98Å; V1139-A1145 VanDerWaalsContact O-CB 3.25Å; V1139-A1145 WeakPolarHBondContact O-CB 3.42Å; T1142-A1145 PolarHBondContact O-N 3.32Å; T1142-A1145 VanDerWaalsContact O-N 3.1Å; A1145-Y1147 VanDerWaalsContact C-N 3.34Å; A1145-Y1147 PolarHBondContact O-N 3Å; A1145-F1148 PolarHBondContact O-N 3.06Å; A1145-Q1149 WeakPolarHBondContact O-CB 3.41Å; A1145-Q1149 PolarHBondContact O-N 2.86Å; A1145-W1194 VanDerWaalsContact O-CZ3 3.24Å; A1145-W1194 WeakPolarHBondContact O-CZ3 3.43Å; A1145-M1202 HydrophobicContact CB-SD 4.05Å
1146	R	70.7	Confident	75.2	Confident	45 Å²	45	29.9 Å²	29.9	17%	0.17	15%	0.153	C	C	.	.	H	α-helix	trans	-66.7	-35.5	177.7	-158.7	174.5	-171.4	111.2	1.9	112	D1024 T1142 A1143 E1144 Q1149 R1150	D1024-R1146 VanDerWaalsContact CG-CZ 3.47Å; D1024-R1146 IonicContact OD1-CZ 3.24Å; D1024-R1146 IonicContact OD1-NE 2.84Å; D1024-R1146 IonicContact OD1-NH2 2.74Å; D1024-R1146 PolarHBondContact OD1-NH2 2.8Å; D1024-R1146 IonicContact OD2-CZ 3.92Å; D1024-R1146 IonicContact OD2-NE 3.04Å; D1024-R1146 PolarHBondContact OD2-NE 2.87Å; D1024-R1146 IonicContact OD2-NH2 2.81Å; D1024-R1146 PolarHBondContact OD2-NH2 3.43Å; T1142-R1146 PolarHBondContact O-N 2.75Å; T1142-R1146 VanDerWaalsContact O-N 3.07Å; A1143-R1146 PolarHBondContact O-N 2.76Å; E1144-R1146 VanDerWaalsContact C-N 3.32Å; E1144-R1146 PolarHBondContact O-N 2.89Å; R1146-Q1149 WeakPolarHBondContact O-CB 3.32Å; R1146-Q1149 PolarHBondContact O-N 2.76Å; R1146-R1150 HydrophobicContact CG-CG 4.33Å; R1146-R1150 WeakPolarHBondContact O-CB 3.35Å; R1146-R1150 VanDerWaalsContact O-CG 3.28Å; R1146-R1150 WeakPolarHBondContact O-CG 3.34Å; R1146-R1150 PolarHBondContact O-N 2.99Å
1147	Y	71.9	Confident	74.5	Confident	50 Å²	50	33.5 Å²	33.5	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-56.4	-52.1	173.8	171.9	-90.4	0	0	0	111.5	W505 M1041 A1143 E1144 A1145 Q1149 R1150 L1151 Y1190	W505-Y1147 AromaticContact CH2-CD2 3.56Å; W505-Y1147 HydrophobicContact CH2-CD2 3.56Å; W505-Y1147 AromaticContact CH2-CE2 3.45Å; W505-Y1147 HydrophobicContact CH2-CE2 3.45Å; W505-Y1147 VanDerWaalsContact CH2-CE2 3.45Å; W505-Y1147 HydrophobicContact CZ2-CD2 4.3Å; W505-Y1147 HydrophobicContact CZ2-CE2 4.48Å; W505-Y1147 HydrophobicContact CZ3-CD2 4.21Å; W505-Y1147 AromaticContact CZ3-CE2 3.62Å; W505-Y1147 HydrophobicContact CZ3-CE2 3.62Å; M1041-Y1147 HydrophobicContact CE-CD1 3.23Å; M1041-Y1147 HydrophobicContact CE-CE1 3.13Å; M1041-Y1147 HydrophobicContact CE-CE2 4.41Å; M1041-Y1147 HydrophobicContact CE-CG 3.95Å; M1041-Y1147 HydrophobicContact SD-CD1 3.88Å; M1041-Y1147 HydrophobicContact SD-CE1 4.37Å; M1041-Y1147 HydrophobicContact SD-CG 4.32Å; A1143-Y1147 VanDerWaalsContact O-CB 3.3Å; A1143-Y1147 WeakPolarHBondContact O-CB 3.48Å; A1143-Y1147 PolarHBondContact O-N 2.86Å; E1144-Y1147 WeakPolarHBondContact O-CB 3.21Å; E1144-Y1147 PolarHBondContact O-N 2.72Å; A1145-Y1147 VanDerWaalsContact C-N 3.34Å; A1145-Y1147 PolarHBondContact O-N 3Å; Y1147-Q1149 PolarHBondContact O-N 3.34Å; Y1147-R1150 PolarHBondContact O-N 3.13Å; Y1147-L1151 HydrophobicContact CD1-CD1 3.86Å; Y1147-L1151 HydrophobicContact CD2-CD1 4.23Å; Y1147-L1151 HydrophobicContact CE1-CD1 3.26Å; Y1147-L1151 HydrophobicContact CE2-CD1 3.7Å; Y1147-L1151 HydrophobicContact CG-CD1 4.31Å; Y1147-L1151 PolarHBondContact O-N 3.45Å; Y1147-L1151 WeakPolarHBondContact OH-CD1 3.47Å; Y1147-Y1190 HydrophobicContact CE1-CE1 4.34Å
1148	F	80	Confident	73.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-37.6	178.1	-72.5	-69.7	0	0	0	112.6	M1041 E1144 A1145 Y1152 Y1190 V1193 W1194 M1197 I1226	M1041-F1148 HydrophobicContact CE-CE2 4.02Å; M1041-F1148 HydrophobicContact CE-CZ 3.84Å; M1041-F1148 HydrophobicContact SD-CD2 4.43Å; M1041-F1148 HydrophobicContact SD-CE2 3.62Å; M1041-F1148 HydrophobicContact SD-CZ 4.04Å; E1144-F1148 WeakPolarHBondContact O-CD2 3.46Å; E1144-F1148 PolarHBondContact O-N 3.38Å; A1145-F1148 PolarHBondContact O-N 3.06Å; F1148-Y1152 WeakPolarHBondContact O-CB 3.06Å; F1148-Y1152 PolarHBondContact O-N 3Å; F1148-Y1190 AromaticContact CD1-CD1 3.91Å; F1148-Y1190 HydrophobicContact CD1-CD1 3.91Å; F1148-Y1190 HydrophobicContact CD1-CE1 4.43Å; F1148-Y1190 HydrophobicContact CE1-CD1 4.12Å; F1148-Y1190 HydrophobicContact CE1-CE1 4.24Å; F1148-V1193 HydrophobicContact CD1-CB 4.29Å; F1148-V1193 HydrophobicContact CD1-CG1 3.67Å; F1148-V1193 HydrophobicContact CE1-CG1 3.81Å; F1148-V1193 HydrophobicContact CG-CG1 4.24Å; F1148-V1193 HydrophobicContact CZ-CG1 4.49Å; F1148-W1194 HydrophobicContact CB-CE3 3.98Å; F1148-M1197 HydrophobicContact CB-CE 3.47Å; F1148-M1197 VanDerWaalsContact CB-CE 3.47Å; F1148-M1197 HydrophobicContact CD2-CE 3.88Å; F1148-M1197 HydrophobicContact CD2-SD 4.33Å; F1148-M1197 HydrophobicContact CG-CE 3.72Å; F1148-I1226 HydrophobicContact CE2-CD1 4.26Å; F1148-I1226 HydrophobicContact CE2-CG2 3.92Å; F1148-I1226 HydrophobicContact CZ-CD1 4.42Å; F1148-I1226 HydrophobicContact CZ-CG2 4.46Å
1149	Q	80.6	Confident	72.7	Confident	67 Å²	67	39.7 Å²	39.7	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-59.3	-50	174.9	-172.5	-178.1	-18.7	0	0	111.6	A1145 R1146 Y1147 Y1152 E1153 W1194	A1145-Q1149 WeakPolarHBondContact O-CB 3.41Å; A1145-Q1149 PolarHBondContact O-N 2.86Å; R1146-Q1149 WeakPolarHBondContact O-CB 3.32Å; R1146-Q1149 PolarHBondContact O-N 2.76Å; Y1147-Q1149 PolarHBondContact O-N 3.34Å; Q1149-Y1152 WeakPolarHBondContact O-CB 3.46Å; Q1149-Y1152 PolarHBondContact O-N 3.44Å; Q1149-E1153 PolarHBondContact NE2-OE1 3.3Å; Q1149-E1153 WeakPolarHBondContact O-CG 3.27Å; Q1149-E1153 PolarHBondContact O-N 3.36Å; Q1149-W1194 HydrophobicContact CB-CD2 4.29Å; Q1149-W1194 HydrophobicContact CB-CE3 4.01Å; Q1149-W1194 HydrophobicContact CB-CH2 3.49Å; Q1149-W1194 VanDerWaalsContact CB-CH2 3.49Å; Q1149-W1194 HydrophobicContact CB-CZ2 3.76Å; Q1149-W1194 HydrophobicContact CB-CZ3 3.62Å; Q1149-W1194 HydrophobicContact CG-CH2 3.79Å; Q1149-W1194 HydrophobicContact CG-CZ2 3.56Å; Q1149-W1194 HydrophobicContact CG-CZ3 4.37Å
1150	R	67.2	Low	72.3	Confident	69 Å²	69	45.5 Å²	45.5	26%	0.26	22%	0.216	S	C	.	.	H	α-helix	trans	-66.8	-41.5	-177	-70.9	-60.7	-165.5	-171.3	5.5	111.8	D1024 R1146 Y1147 Y1152 E1153 I1154	D1024-R1150 IonicContact OD1-NH2 3.11Å; D1024-R1150 PolarHBondContact OD1-NH2 3.23Å; D1024-R1150 IonicContact OD2-NH2 3.89Å; R1146-R1150 HydrophobicContact CG-CG 4.33Å; R1146-R1150 WeakPolarHBondContact O-CB 3.35Å; R1146-R1150 VanDerWaalsContact O-CG 3.28Å; R1146-R1150 WeakPolarHBondContact O-CG 3.34Å; R1146-R1150 PolarHBondContact O-N 2.99Å; Y1147-R1150 PolarHBondContact O-N 3.13Å; R1150-Y1152 VanDerWaalsContact C-N 3.3Å; R1150-Y1152 PolarHBondContact O-N 3.33Å; R1150-E1153 WeakPolarHBondContact CD-OE2 3.39Å; R1150-E1153 IonicContact CZ-OE2 2.87Å; R1150-E1153 IonicContact NH1-OE2 3.61Å; R1150-E1153 PolarHBondContact NH1-OE2 3.13Å; R1150-E1153 PolarHBondContact O-N 2.84Å; R1150-I1154 VanDerWaalsContact O-CG1 3.31Å; R1150-I1154 WeakPolarHBondContact O-CG1 3.36Å; R1150-I1154 PolarHBondContact O-N 2.86Å
1151	L	73.4	Confident	71.9	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-35.6	175	-80.1	167.7	0	0	0	112.6	P508 Y1147 I1154 E1155 Y1190	P508-L1151 HydrophobicContact CB-CD2 4.47Å; Y1147-L1151 HydrophobicContact CD1-CD1 3.86Å; Y1147-L1151 HydrophobicContact CD2-CD1 4.23Å; Y1147-L1151 HydrophobicContact CE1-CD1 3.26Å; Y1147-L1151 HydrophobicContact CE2-CD1 3.7Å; Y1147-L1151 HydrophobicContact CG-CD1 4.31Å; Y1147-L1151 PolarHBondContact O-N 3.45Å; Y1147-L1151 WeakPolarHBondContact OH-CD1 3.47Å; L1151-I1154 PolarHBondContact O-N 2.86Å; L1151-E1155 WeakPolarHBondContact O-CB 3.34Å; L1151-E1155 WeakPolarHBondContact O-CG 3.34Å; L1151-E1155 PolarHBondContact O-N 3.08Å; L1151-Y1190 HydrophobicContact CB-CD1 4.14Å; L1151-Y1190 HydrophobicContact CB-CD2 3.84Å; L1151-Y1190 HydrophobicContact CB-CE2 4.47Å; L1151-Y1190 HydrophobicContact CB-CG 3.65Å; L1151-Y1190 HydrophobicContact CD1-CD1 3.88Å; L1151-Y1190 HydrophobicContact CD1-CD2 4.11Å; L1151-Y1190 HydrophobicContact CD1-CE1 3.71Å; L1151-Y1190 HydrophobicContact CD1-CE2 3.96Å; L1151-Y1190 HydrophobicContact CD1-CG 4.08Å; L1151-Y1190 HydrophobicContact CD2-CD2 4.29Å; L1151-Y1190 HydrophobicContact CD2-CE2 4.25Å; L1151-Y1190 HydrophobicContact CG-CD2 4.33Å; L1151-Y1190 HydrophobicContact CG-CE2 4.49Å; L1151-Y1190 HydrophobicContact CG-CG 4.42Å
1152	Y	81.3	Confident	71.7	Confident	82 Å²	82	48.2 Å²	48.2	32%	0.322	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-47	170.3	159.6	-111.9	0	0	0	112.3	F1148 Q1149 R1150 I1154 E1155 T1156 A1191 W1194	F1148-Y1152 WeakPolarHBondContact O-CB 3.06Å; F1148-Y1152 PolarHBondContact O-N 3Å; Q1149-Y1152 WeakPolarHBondContact O-CB 3.46Å; Q1149-Y1152 PolarHBondContact O-N 3.44Å; R1150-Y1152 VanDerWaalsContact C-N 3.3Å; R1150-Y1152 PolarHBondContact O-N 3.33Å; Y1152-I1154 VanDerWaalsContact C-N 3.32Å; Y1152-I1154 PolarHBondContact O-N 3.4Å; Y1152-E1155 PolarHBondContact O-N 2.93Å; Y1152-T1156 WeakPolarHBondContact CD2-OG1 3.3Å; Y1152-T1156 WeakPolarHBondContact CE2-OG1 3.32Å; Y1152-T1156 VanDerWaalsContact O-CB 3.31Å; Y1152-T1156 WeakPolarHBondContact O-CB 3.29Å; Y1152-T1156 PolarHBondContact O-N 3.18Å; Y1152-T1156 PolarHBondContact O-OG1 2.91Å; Y1152-A1191 VanDerWaalsContact CD2-CA 3.46Å; Y1152-A1191 HydrophobicContact CD2-CB 3.57Å; Y1152-A1191 HydrophobicContact CE2-CB 3.97Å; Y1152-W1194 AromaticContact CD1-CD1 3.23Å; Y1152-W1194 AromaticContact CD1-CG 3.92Å; Y1152-W1194 HydrophobicContact CD1-CG 3.92Å; Y1152-W1194 AromaticContact CD1-NE1 3.63Å; Y1152-W1194 AromaticContact CE1-CD1 3.62Å; Y1152-W1194 AromaticContact CE1-NE1 3.91Å; Y1152-W1194 HydrophobicContact CG-CB 4.03Å; Y1152-W1194 AromaticContact CG-CD1 3.59Å; Y1152-W1194 AromaticContact CG-CG 3.93Å; Y1152-W1194 HydrophobicContact CG-CG 3.93Å
1153	E	73.5	Confident	71.6	Confident	68 Å²	68	48.5 Å²	48.5	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-59.2	-43.7	177.5	-73	169.3	-169.6	0	0	111	Q1149 R1150 T1156 E1157	Q1149-E1153 PolarHBondContact NE2-OE1 3.3Å; Q1149-E1153 WeakPolarHBondContact O-CG 3.27Å; Q1149-E1153 PolarHBondContact O-N 3.36Å; R1150-E1153 WeakPolarHBondContact CD-OE2 3.39Å; R1150-E1153 IonicContact CZ-OE2 2.87Å; R1150-E1153 IonicContact NH1-OE2 3.61Å; R1150-E1153 PolarHBondContact NH1-OE2 3.13Å; R1150-E1153 PolarHBondContact O-N 2.84Å; E1153-T1156 PolarHBondContact O-N 2.83Å; E1153-E1157 WeakPolarHBondContact O-CB 3.37Å; E1153-E1157 PolarHBondContact O-N 3.34Å
1154	I	64.6	Low	71.8	Confident	31 Å²	31	52.8 Å²	52.8	16%	0.159	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-51.9	176.8	-67.9	167.1	0	0	0	111.2	R1150 L1151 Y1152 T1156 E1157 F1158	R1150-I1154 VanDerWaalsContact O-CG1 3.31Å; R1150-I1154 WeakPolarHBondContact O-CG1 3.36Å; R1150-I1154 PolarHBondContact O-N 2.86Å; L1151-I1154 PolarHBondContact O-N 2.86Å; Y1152-I1154 VanDerWaalsContact C-N 3.32Å; Y1152-I1154 PolarHBondContact O-N 3.4Å; I1154-T1156 PolarHBondContact O-N 2.92Å; I1154-E1157 PolarHBondContact O-N 3.07Å; I1154-F1158 HydrophobicContact CG2-CD2 3.7Å; I1154-F1158 HydrophobicContact CG2-CE2 3.79Å; I1154-F1158 WeakPolarHBondContact O-CD2 3.39Å; I1154-F1158 PolarHBondContact O-N 2.98Å
1155	E	70.3	Confident	71.5	Confident	5 Å²	5	54.5 Å²	54.5	2%	0.023	24%	0.238	C	C	.	.	H	α-helix	trans	-53.9	-43.6	176.9	-84.2	-170.6	167.1	0	0	111	F509 L1151 Y1152 F1158 Y1159 L1188 K1189 Y1190 A1191	F509-E1155 HydrophobicContact CZ-CG 4.45Å; L1151-E1155 WeakPolarHBondContact O-CB 3.34Å; L1151-E1155 WeakPolarHBondContact O-CG 3.34Å; L1151-E1155 PolarHBondContact O-N 3.08Å; Y1152-E1155 PolarHBondContact O-N 2.93Å; E1155-F1158 PolarHBondContact O-N 3.45Å; E1155-Y1159 WeakPolarHBondContact O-CB 3.2Å; E1155-Y1159 PolarHBondContact O-N 2.87Å; E1155-L1188 HydrophobicContact CB-CD2 4.03Å; E1155-L1188 VanDerWaalsContact OE2-C 3.27Å; E1155-L1188 WeakPolarHBondContact OE2-CA 3.32Å; E1155-K1189 PolarHBondContact OE1-N 3.5Å; E1155-K1189 VanDerWaalsContact OE1-N 3.08Å; E1155-K1189 PolarHBondContact OE2-N 3.28Å; E1155-Y1190 HydrophobicContact CG-CD2 4.34Å; E1155-Y1190 WeakPolarHBondContact OE1-CD2 3.39Å; E1155-Y1190 PolarHBondContact OE1-N 2.89Å; E1155-Y1190 VanDerWaalsContact OE1-N 3.07Å; E1155-Y1190 WeakPolarHBondContact OE2-CA 3.42Å; E1155-Y1190 PolarHBondContact OE2-N 2.78Å; E1155-A1191 PolarHBondContact OE2-N 3.42Å
1156	T	72.1	Confident	70.9	Confident	50 Å²	50	55.3 Å²	55.3	31%	0.307	24%	0.243	S	C	.	.	H	α-helix	trans	-67.4	-42.6	-179.9	-56.6	0	0	0	0	111.8	Y1152 E1153 I1154 Y1159 R1160	Y1152-T1156 WeakPolarHBondContact CD2-OG1 3.3Å; Y1152-T1156 WeakPolarHBondContact CE2-OG1 3.32Å; Y1152-T1156 VanDerWaalsContact O-CB 3.31Å; Y1152-T1156 WeakPolarHBondContact O-CB 3.29Å; Y1152-T1156 PolarHBondContact O-N 3.18Å; Y1152-T1156 PolarHBondContact O-OG1 2.91Å; E1153-T1156 PolarHBondContact O-N 2.83Å; I1154-T1156 PolarHBondContact O-N 2.92Å; T1156-Y1159 PolarHBondContact O-N 3.13Å; T1156-R1160 VanDerWaalsContact O-CB 3.28Å; T1156-R1160 WeakPolarHBondContact O-CB 3.36Å; T1156-R1160 PolarHBondContact O-N 3.18Å
1157	E	71.2	Confident	70.5	Confident	83 Å²	83	59.1 Å²	59.1	39%	0.388	26%	0.262	S	S	.	.	H	α-helix	trans	-69.3	-34.5	177.1	-82.9	-60.8	138.8	0	0	112.5	E1153 I1154 R1160 R1161	E1153-E1157 WeakPolarHBondContact O-CB 3.37Å; E1153-E1157 PolarHBondContact O-N 3.34Å; I1154-E1157 PolarHBondContact O-N 3.07Å; E1157-R1160 PolarHBondContact O-N 2.96Å; E1157-R1160 IonicContact OE1-NH1 2.93Å; E1157-R1161 WeakPolarHBondContact O-CB 3.37Å; E1157-R1161 VanDerWaalsContact O-CG 3.31Å; E1157-R1161 WeakPolarHBondContact O-CG 3.12Å; E1157-R1161 PolarHBondContact O-N 2.81Å
1158	F	65.6	Low	70.1	Confident	27 Å²	27	58.3 Å²	58.3	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-49.6	170.2	-96.2	-82.6	0	0	0	111.4	W485 Y507 I1154 E1155 R1160 R1161 W1162	W485-F1158 AromaticContact CD2-CZ 3.92Å; W485-F1158 HydrophobicContact CD2-CZ 3.92Å; W485-F1158 HydrophobicContact CE3-CE1 4.25Å; W485-F1158 AromaticContact CE3-CE2 3.67Å; W485-F1158 HydrophobicContact CE3-CE2 3.67Å; W485-F1158 AromaticContact CE3-CZ 3.24Å; W485-F1158 HydrophobicContact CE3-CZ 3.24Å; W485-F1158 HydrophobicContact CG-CZ 4.49Å; W485-F1158 HydrophobicContact CH2-CE2 4.21Å; W485-F1158 HydrophobicContact CH2-CZ 4.48Å; W485-F1158 AromaticContact CZ3-CE2 3.43Å; W485-F1158 HydrophobicContact CZ3-CE2 3.43Å; W485-F1158 VanDerWaalsContact CZ3-CE2 3.43Å; W485-F1158 AromaticContact CZ3-CZ 3.56Å; W485-F1158 HydrophobicContact CZ3-CZ 3.56Å; Y507-F1158 HydrophobicContact CD2-CZ 4.47Å; Y507-F1158 HydrophobicContact CE2-CE1 4.12Å; Y507-F1158 HydrophobicContact CE2-CZ 4.02Å; I1154-F1158 HydrophobicContact CG2-CD2 3.7Å; I1154-F1158 HydrophobicContact CG2-CE2 3.79Å; I1154-F1158 WeakPolarHBondContact O-CD2 3.39Å; I1154-F1158 PolarHBondContact O-N 2.98Å; E1155-F1158 PolarHBondContact O-N 3.45Å; F1158-R1160 VanDerWaalsContact C-N 3.3Å; F1158-R1160 PolarHBondContact O-N 3.23Å; F1158-R1161 PolarHBondContact O-N 3.26Å; F1158-W1162 VanDerWaalsContact O-CB 3.24Å; F1158-W1162 WeakPolarHBondContact O-CB 3.46Å; F1158-W1162 PolarHBondContact O-N 2.72Å
1159	Y	69	Low	69.2	Low	104 Å²	104	63.8 Å²	63.8	41%	0.408	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-44	176.5	179.8	-102.9	0	0	0	111.3	E1155 T1156 W1162 S1163 Y1184	E1155-Y1159 WeakPolarHBondContact O-CB 3.2Å; E1155-Y1159 PolarHBondContact O-N 2.87Å; T1156-Y1159 PolarHBondContact O-N 3.13Å; Y1159-W1162 HydrophobicContact CD2-CE3 4.37Å; Y1159-W1162 HydrophobicContact CE2-CE3 4.26Å; Y1159-W1162 HydrophobicContact CE2-CZ3 4.24Å; Y1159-W1162 PolarHBondContact O-N 2.95Å; Y1159-S1163 WeakPolarHBondContact O-CB 3.4Å; Y1159-S1163 PolarHBondContact O-N 2.82Å; Y1159-Y1184 HydrophobicContact CD2-CD1 4.02Å; Y1159-Y1184 AromaticContact CD2-CD2 3.97Å; Y1159-Y1184 HydrophobicContact CD2-CD2 3.97Å; Y1159-Y1184 HydrophobicContact CD2-CE2 4.47Å; Y1159-Y1184 AromaticContact CD2-CG 3.73Å; Y1159-Y1184 HydrophobicContact CD2-CG 3.73Å; Y1159-Y1184 HydrophobicContact CE2-CG 4.32Å
1160	R	72.5	Confident	68.5	Low	130 Å²	130	65.4 Å²	65.4	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-44.6	178	-171.7	-178.1	-169.5	170.6	4.5	112.7	T1156 E1157 F1158 S1163 K1164	T1156-R1160 VanDerWaalsContact O-CB 3.28Å; T1156-R1160 WeakPolarHBondContact O-CB 3.36Å; T1156-R1160 PolarHBondContact O-N 3.18Å; E1157-R1160 PolarHBondContact O-N 2.96Å; E1157-R1160 IonicContact OE1-NH1 2.93Å; F1158-R1160 VanDerWaalsContact C-N 3.3Å; F1158-R1160 PolarHBondContact O-N 3.23Å; R1160-S1163 PolarHBondContact O-N 3.3Å; R1160-K1164 HydrophobicContact CG-CD 4.5Å; R1160-K1164 WeakPolarHBondContact O-CB 3.37Å; R1160-K1164 WeakPolarHBondContact O-CG 3.39Å; R1160-K1164 PolarHBondContact O-N 2.62Å
1161	R	68.3	Low	68.1	Low	92 Å²	92	63 Å²	63	35%	0.347	31%	0.311	S	S	.	.	H	α-helix	trans	-66.1	-39.9	177	-77.9	179	176.3	-151	-4.1	111.5	S488 E1157 F1158 K1164 T1165	S488-R1161 PolarHBondContact OG-NH1 3.01Å; E1157-R1161 WeakPolarHBondContact O-CB 3.37Å; E1157-R1161 VanDerWaalsContact O-CG 3.31Å; E1157-R1161 WeakPolarHBondContact O-CG 3.12Å; E1157-R1161 PolarHBondContact O-N 2.81Å; F1158-R1161 PolarHBondContact O-N 3.26Å; R1161-K1164 PolarHBondContact O-N 2.93Å; R1161-T1165 VanDerWaalsContact O-CB 3.3Å; R1161-T1165 WeakPolarHBondContact O-CB 3.42Å; R1161-T1165 PolarHBondContact O-N 2.76Å; R1161-T1165 PolarHBondContact O-OG1 2.98Å
1162	W	65.8	Low	67.9	Low	49 Å²	49	65.7 Å²	65.7	19%	0.186	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-51.4	172.9	178	84.6	0	0	0	110.3	F1158 Y1159 K1164 T1165 V1166 W1182 Y1184	F1158-W1162 VanDerWaalsContact O-CB 3.24Å; F1158-W1162 WeakPolarHBondContact O-CB 3.46Å; F1158-W1162 PolarHBondContact O-N 2.72Å; Y1159-W1162 HydrophobicContact CD2-CE3 4.37Å; Y1159-W1162 HydrophobicContact CE2-CE3 4.26Å; Y1159-W1162 HydrophobicContact CE2-CZ3 4.24Å; Y1159-W1162 PolarHBondContact O-N 2.95Å; W1162-K1164 PolarHBondContact O-N 2.77Å; W1162-T1165 WeakPolarHBondContact O-CB 3.45Å; W1162-T1165 PolarHBondContact O-N 2.75Å; W1162-T1165 VanDerWaalsContact O-N 3.07Å; W1162-V1166 HydrophobicContact CD2-CG2 4.17Å; W1162-V1166 HydrophobicContact CH2-CG2 4.44Å; W1162-V1166 HydrophobicContact CZ2-CG2 3.97Å; W1162-V1166 VanDerWaalsContact O-CG2 3.3Å; W1162-V1166 WeakPolarHBondContact O-CG2 3.5Å; W1162-V1166 PolarHBondContact O-N 2.81Å; W1162-W1182 WeakPolarHBondContact CH2-O 3.27Å; W1162-W1182 WeakPolarHBondContact CZ2-O 3.08Å; W1162-Y1184 HydrophobicContact CB-CD2 4.2Å; W1162-Y1184 HydrophobicContact CB-CE2 4.39Å; W1162-Y1184 AromaticContact CD2-CD2 3.98Å; W1162-Y1184 HydrophobicContact CD2-CD2 3.98Å; W1162-Y1184 HydrophobicContact CE3-CD2 4.2Å; W1162-Y1184 AromaticContact CG-CD2 3.97Å; W1162-Y1184 HydrophobicContact CG-CD2 3.97Å
1163	S	69.5	Low	66.8	Low	25 Å²	25	66.9 Å²	66.9	18%	0.175	35%	0.345	C	S	.	.	H	α-helix	trans	-54.9	-49.5	175.8	-152.7	0	0	0	0	111.5	Y1159 R1160 T1165 V1166 E1167	Y1159-S1163 WeakPolarHBondContact O-CB 3.4Å; Y1159-S1163 PolarHBondContact O-N 2.82Å; R1160-S1163 PolarHBondContact O-N 3.3Å; S1163-T1165 VanDerWaalsContact C-N 3.33Å; S1163-T1165 PolarHBondContact O-N 3.27Å; S1163-V1166 PolarHBondContact O-N 3.3Å; S1163-E1167 VanDerWaalsContact O-CB 3.31Å; S1163-E1167 WeakPolarHBondContact O-CB 3.05Å; S1163-E1167 VanDerWaalsContact O-CG 3.25Å; S1163-E1167 WeakPolarHBondContact O-CG 3.07Å; S1163-E1167 PolarHBondContact O-N 3.45Å; S1163-E1167 PolarHBondContact OG-OE1 2.76Å
1164	K	69.6	Low	66	Low	115 Å²	115	66.8 Å²	66.8	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-37	176.9	-76.7	-180	177	178.7	0	113.2	R1160 R1161 W1162 V1166 E1167 S1168	R1160-K1164 HydrophobicContact CG-CD 4.5Å; R1160-K1164 WeakPolarHBondContact O-CB 3.37Å; R1160-K1164 WeakPolarHBondContact O-CG 3.39Å; R1160-K1164 PolarHBondContact O-N 2.62Å; R1161-K1164 PolarHBondContact O-N 2.93Å; W1162-K1164 PolarHBondContact O-N 2.77Å; K1164-V1166 VanDerWaalsContact C-N 3.35Å; K1164-E1167 PolarHBondContact O-N 2.83Å; K1164-S1168 WeakPolarHBondContact O-CA 3.45Å; K1164-S1168 WeakPolarHBondContact O-CB 3.33Å; K1164-S1168 PolarHBondContact O-N 2.59Å
1165	T	67.5	Low	65.7	Low	40 Å²	40	69.7 Å²	69.7	25%	0.245	37%	0.365	C	S	.	.	H	α-helix	trans	-67.6	-41.5	177.5	-59.5	0	0	0	0	109.7	R1161 W1162 S1163 L1171	R1161-T1165 VanDerWaalsContact O-CB 3.3Å; R1161-T1165 WeakPolarHBondContact O-CB 3.42Å; R1161-T1165 PolarHBondContact O-N 2.76Å; R1161-T1165 PolarHBondContact O-OG1 2.98Å; W1162-T1165 WeakPolarHBondContact O-CB 3.45Å; W1162-T1165 PolarHBondContact O-N 2.75Å; W1162-T1165 VanDerWaalsContact O-N 3.07Å; S1163-T1165 VanDerWaalsContact C-N 3.33Å; S1163-T1165 PolarHBondContact O-N 3.27Å; T1165-L1171 WeakPolarHBondContact O-CD1 3.38Å
1166	V	63.5	Low	65.1	Low	19 Å²	19	74 Å²	74	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-66.4	-38.3	175.6	171.9	0	0	0	0	111.6	W1162 S1163 K1164 R1176 K1179 S1180	W1162-V1166 HydrophobicContact CD2-CG2 4.17Å; W1162-V1166 HydrophobicContact CH2-CG2 4.44Å; W1162-V1166 HydrophobicContact CZ2-CG2 3.97Å; W1162-V1166 VanDerWaalsContact O-CG2 3.3Å; W1162-V1166 WeakPolarHBondContact O-CG2 3.5Å; W1162-V1166 PolarHBondContact O-N 2.81Å; S1163-V1166 PolarHBondContact O-N 3.3Å; K1164-V1166 VanDerWaalsContact C-N 3.35Å; V1166-R1176 WeakPolarHBondContact O-CG 3.46Å; V1166-K1179 HydrophobicContact CG2-CB 4.44Å; V1166-S1180 VanDerWaalsContact CG1-CA 3.45Å
1167	E	62.7	Low	64.3	Low	125 Å²	125	74 Å²	74	58%	0.584	38%	0.381	S	S	*	.	H	α-helix	trans	-86	-8.6	-178.6	-69.8	164.5	-144.6	0	0	114.1	S1163 K1164	S1163-E1167 VanDerWaalsContact O-CB 3.31Å; S1163-E1167 WeakPolarHBondContact O-CB 3.05Å; S1163-E1167 VanDerWaalsContact O-CG 3.25Å; S1163-E1167 WeakPolarHBondContact O-CG 3.07Å; S1163-E1167 PolarHBondContact O-N 3.45Å; S1163-E1167 PolarHBondContact OG-OE1 2.76Å; K1164-E1167 PolarHBondContact O-N 2.83Å
1168	S	63.4	Low	63.6	Low	33 Å²	33	72.5 Å²	72.5	23%	0.231	38%	0.376	C	S	.	.			trans	-60.9	129.6	-169.8	-177.3	0	0	0	0	112	K1164 S1170 L1171	K1164-S1168 WeakPolarHBondContact O-CA 3.45Å; K1164-S1168 WeakPolarHBondContact O-CB 3.33Å; K1164-S1168 PolarHBondContact O-N 2.59Å; S1168-S1170 PolarHBondContact O-N 2.95Å; S1168-S1170 VanDerWaalsContact O-N 3.15Å; S1168-S1170 PolarHBondContact OG-N 3.07Å; S1168-S1170 PolarHBondContact OG-OG 3.25Å; S1168-L1171 PolarHBondContact O-N 3.18Å
1169	P	61.6	Low	63.3	Low	116 Å²	116	74.3 Å²	74.3	75%	0.753	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.4	175.3	25.1	-31.7	0	0	0	113.1	L1171	P1169-L1171 VanDerWaalsContact C-N 3.25Å; P1169-L1171 PolarHBondContact O-N 3.46Å
1170	S	65.2	Low	62.7	Low	101 Å²	101	72.4 Å²	72.4	71%	0.706	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17	178.2	67.9	0	0	0	0	114.1	S1168	S1168-S1170 PolarHBondContact O-N 2.95Å; S1168-S1170 VanDerWaalsContact O-N 3.15Å; S1168-S1170 PolarHBondContact OG-N 3.07Å; S1168-S1170 PolarHBondContact OG-OG 3.25Å
1171	L	60.2	Low	61.4	Low	18 Å²	18	67.2 Å²	67.2	9%	0.094	37%	0.366	C	S	.	.	S	Bend	trans	-78	135.4	175.5	-68.8	171	0	0	0	110.1	T1165 S1168 P1169 E1175 R1176 K1179	T1165-L1171 WeakPolarHBondContact O-CD1 3.38Å; S1168-L1171 PolarHBondContact O-N 3.18Å; P1169-L1171 VanDerWaalsContact C-N 3.25Å; P1169-L1171 PolarHBondContact O-N 3.46Å; L1171-E1175 HydrophobicContact CB-CB 4.34Å; L1171-E1175 HydrophobicContact CD2-CB 4.03Å; L1171-R1176 HydrophobicContact CB-CB 4.06Å; L1171-R1176 HydrophobicContact CD1-CB 4.46Å; L1171-R1176 PolarHBondContact O-NH2 2.94Å; L1171-K1179 HydrophobicContact CD1-CD 3.92Å; L1171-K1179 HydrophobicContact CD2-CD 4.08Å
1172	T	68.3	Low	60.5	Low	67 Å²	67	64.4 Å²	64.4	41%	0.411	36%	0.356	S	S	.	.			trans	-59.7	152.6	168.2	59	0	0	0	0	110	S1174 E1175 R1176	T1172-S1174 PolarHBondContact O-N 2.9Å; T1172-S1174 VanDerWaalsContact O-N 3.16Å; T1172-S1174 PolarHBondContact OG1-OG 3.19Å; T1172-E1175 PolarHBondContact N-OE2 3.14Å; T1172-E1175 VanDerWaalsContact N-OE2 3.09Å; T1172-E1175 PolarHBondContact O-N 3.03Å; T1172-E1175 VanDerWaalsContact O-N 3.07Å; T1172-E1175 WeakPolarHBondContact OG1-CB 3.48Å; T1172-E1175 WeakPolarHBondContact OG1-CG 3.26Å; T1172-E1175 PolarHBondContact OG1-N 3.22Å; T1172-E1175 PolarHBondContact OG1-OE2 2.85Å; T1172-R1176 PolarHBondContact O-N 2.58Å
1173	P	58.7	Low	60	Low	106 Å²	106	68.8 Å²	68.8	69%	0.688	38%	0.383	S	S	*	.	H	α-helix	trans	-53	-38.9	-179.5	-28.2	35.3	0	0	0	113.2	R1176 V1177	P1173-R1176 PolarHBondContact O-N 3.1Å; P1173-V1177 WeakPolarHBondContact O-CB 3.28Å; P1173-V1177 WeakPolarHBondContact O-CG2 3.5Å; P1173-V1177 PolarHBondContact O-N 3.06Å
1174	S	56.4	Low	59.7	Low	67 Å²	67	69 Å²	69	47%	0.469	38%	0.38	S	S	.	.	H	α-helix	trans	-65.3	-45.4	176	50.5	0	0	0	0	113	T1172 R1176 D1178	T1172-S1174 PolarHBondContact O-N 2.9Å; T1172-S1174 VanDerWaalsContact O-N 3.16Å; T1172-S1174 PolarHBondContact OG1-OG 3.19Å; S1174-R1176 VanDerWaalsContact C-N 3.34Å; S1174-D1178 WeakPolarHBondContact O-CB 3.46Å; S1174-D1178 PolarHBondContact O-N 3.46Å
1175	E	58	Low	59.1	Low	92 Å²	92	64.9 Å²	64.9	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-68.3	-32.8	177	-69.4	167	145.5	0	0	112.5	L1171 T1172 D1178 K1179	L1171-E1175 HydrophobicContact CB-CB 4.34Å; L1171-E1175 HydrophobicContact CD2-CB 4.03Å; T1172-E1175 PolarHBondContact N-OE2 3.14Å; T1172-E1175 VanDerWaalsContact N-OE2 3.09Å; T1172-E1175 PolarHBondContact O-N 3.03Å; T1172-E1175 VanDerWaalsContact O-N 3.07Å; T1172-E1175 WeakPolarHBondContact OG1-CB 3.48Å; T1172-E1175 WeakPolarHBondContact OG1-CG 3.26Å; T1172-E1175 PolarHBondContact OG1-N 3.22Å; T1172-E1175 PolarHBondContact OG1-OE2 2.85Å; E1175-D1178 PolarHBondContact O-N 3.28Å; E1175-K1179 WeakPolarHBondContact O-CB 3.41Å; E1175-K1179 WeakPolarHBondContact O-CG 3.26Å; E1175-K1179 PolarHBondContact O-N 3.03Å
1176	R	58.7	Low	58.9	Low	95 Å²	95	64.2 Å²	64.2	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-69.6	-44.6	176.5	-167.1	-177.1	-55.5	169.5	12.1	111.1	V1166 L1171 T1172 P1173 S1174 D1178 K1179 S1180	V1166-R1176 WeakPolarHBondContact O-CG 3.46Å; L1171-R1176 HydrophobicContact CB-CB 4.06Å; L1171-R1176 HydrophobicContact CD1-CB 4.46Å; L1171-R1176 PolarHBondContact O-NH2 2.94Å; T1172-R1176 PolarHBondContact O-N 2.58Å; P1173-R1176 PolarHBondContact O-N 3.1Å; S1174-R1176 VanDerWaalsContact C-N 3.34Å; R1176-D1178 VanDerWaalsContact C-N 3.29Å; R1176-D1178 PolarHBondContact O-N 2.88Å; R1176-K1179 PolarHBondContact O-N 2.62Å; R1176-S1180 WeakPolarHBondContact O-CB 3.07Å; R1176-S1180 PolarHBondContact O-N 2.67Å; R1176-S1180 PolarHBondContact O-OG 3Å
1177	V	54.3	Low	58.9	Low	51 Å²	51	70.3 Å²	70.3	31%	0.309	39%	0.386	S	S	.	.	H	α-helix	trans	-58.7	-44.7	172.2	171.7	0	0	0	0	109.6	A381 E384 P1173 K1179 S1180 F1181	A381-V1177 HydrophobicContact CB-CG1 4.27Å; E384-V1177 HydrophobicContact CB-CG1 4.45Å; P1173-V1177 WeakPolarHBondContact O-CB 3.28Å; P1173-V1177 WeakPolarHBondContact O-CG2 3.5Å; P1173-V1177 PolarHBondContact O-N 3.06Å; V1177-K1179 PolarHBondContact O-N 2.69Å; V1177-S1180 PolarHBondContact O-OG 3.03Å; V1177-F1181 VanDerWaalsContact O-CB 3.28Å; V1177-F1181 WeakPolarHBondContact O-CB 3.37Å; V1177-F1181 PolarHBondContact O-N 3.11Å
1178	D	56.3	Low	59.2	Low	50 Å²	50	67.5 Å²	67.5	27%	0.267	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-41.5	177.2	-166.7	53.1	0	0	0	114.2	A381 R473 S1174 E1175 R1176	A381-D1178 HydrophobicContact CB-CB 4.26Å; R473-D1178 IonicContact NH2-OD1 3.17Å; S1174-D1178 WeakPolarHBondContact O-CB 3.46Å; S1174-D1178 PolarHBondContact O-N 3.46Å; E1175-D1178 PolarHBondContact O-N 3.28Å; R1176-D1178 VanDerWaalsContact C-N 3.29Å; R1176-D1178 PolarHBondContact O-N 2.88Å
1179	K	59.5	Low	59.7	Low	65 Å²	65	68.8 Å²	68.8	28%	0.283	38%	0.376	S	S	.	.	H	α-helix	trans	-82.8	-34.4	-179.5	-70.3	-178.1	179.6	-176.5	0	114.3	V1166 L1171 E1175 R1176 V1177 F1181	V1166-K1179 HydrophobicContact CG2-CB 4.44Å; L1171-K1179 HydrophobicContact CD1-CD 3.92Å; L1171-K1179 HydrophobicContact CD2-CD 4.08Å; E1175-K1179 WeakPolarHBondContact O-CB 3.41Å; E1175-K1179 WeakPolarHBondContact O-CG 3.26Å; E1175-K1179 PolarHBondContact O-N 3.03Å; R1176-K1179 PolarHBondContact O-N 2.62Å; V1177-K1179 PolarHBondContact O-N 2.69Å; K1179-F1181 PolarHBondContact O-N 2.8Å
1180	S	56.1	Low	60.5	Low	64 Å²	64	65.3 Å²	65.3	45%	0.448	35%	0.348	S	S	.	.	H	α-helix	trans	-73.9	-16.7	178	63.7	0	0	0	0	113.7	V1166 R1176 V1177 W1182	V1166-S1180 VanDerWaalsContact CG1-CA 3.45Å; R1176-S1180 WeakPolarHBondContact O-CB 3.07Å; R1176-S1180 PolarHBondContact O-N 2.67Å; R1176-S1180 PolarHBondContact O-OG 3Å; V1177-S1180 PolarHBondContact O-OG 3.03Å; S1180-W1182 VanDerWaalsContact C-N 3.29Å; S1180-W1182 PolarHBondContact O-N 3.49Å
1181	F	46	Very low	61	Low	22 Å²	22	61.3 Å²	61.3	10%	0.096	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.4	-178.7	-179.6	-94.8	0	0	0	113.6	P379 T380 A381 R575 V1177 K1179	P379-F1181 VanDerWaalsContact O-CE2 3.25Å; P379-F1181 WeakPolarHBondContact O-CE2 3.38Å; P379-F1181 WeakPolarHBondContact O-CZ 3.44Å; T380-F1181 VanDerWaalsContact CA-CZ 3.5Å; A381-F1181 HydrophobicContact CB-CB 3.77Å; A381-F1181 HydrophobicContact CB-CD1 4.28Å; A381-F1181 HydrophobicContact CB-CD2 3.92Å; A381-F1181 HydrophobicContact CB-CG 3.76Å; R575-F1181 PolarHBondContact NH1-O 2.95Å; R575-F1181 PolarHBondContact NH2-O 3.31Å; V1177-F1181 VanDerWaalsContact O-CB 3.28Å; V1177-F1181 WeakPolarHBondContact O-CB 3.37Å; V1177-F1181 PolarHBondContact O-N 3.11Å; K1179-F1181 PolarHBondContact O-N 2.8Å
1182	W	49.2	Very low	61.9	Low	33 Å²	33	63 Å²	63	13%	0.125	34%	0.335	C	S	.	.	S	Bend	trans	-101.3	145.4	-172.8	-60.4	102.6	0	0	0	113.2	Y470 R473 L477 F573 W1162 S1180	Y470-W1182 HydrophobicContact CD2-CE3 4.41Å; Y470-W1182 HydrophobicContact CD2-CH2 4.08Å; Y470-W1182 AromaticContact CD2-CZ3 3.58Å; Y470-W1182 HydrophobicContact CD2-CZ3 3.58Å; Y470-W1182 HydrophobicContact CE2-CZ3 4.13Å; R473-W1182 HydrophobicContact CB-CZ2 3.98Å; R473-W1182 HydrophobicContact CG-CZ2 4.17Å; L477-W1182 HydrophobicContact CD1-CB 4.31Å; L477-W1182 HydrophobicContact CD1-CG 4.08Å; F573-W1182 HydrophobicContact CD2-CZ3 4.16Å; F573-W1182 HydrophobicContact CE2-CH2 4.1Å; F573-W1182 AromaticContact CE2-CZ3 3.92Å; F573-W1182 HydrophobicContact CE2-CZ3 3.92Å; W1162-W1182 WeakPolarHBondContact CH2-O 3.27Å; W1162-W1182 WeakPolarHBondContact CZ2-O 3.08Å; S1180-W1182 VanDerWaalsContact C-N 3.29Å; S1180-W1182 PolarHBondContact O-N 3.49Å
1183	D	55.9	Low	62.5	Low	140 Å²	140	59.8 Å²	59.8	75%	0.749	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-70.6	156.2	169.3	-67.7	-44.8	0	0	0	110.9	P1185	D1183-P1185 VanDerWaalsContact O-N 3.17Å
1184	Y	61.9	Low	63.7	Low	30 Å²	30	56 Å²	56	12%	0.118	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-55.5	121.4	171	179.5	-110.8	0	0	0	109.4	Y1159 W1162 F1186 L1188	Y1159-Y1184 HydrophobicContact CD2-CD1 4.02Å; Y1159-Y1184 AromaticContact CD2-CD2 3.97Å; Y1159-Y1184 HydrophobicContact CD2-CD2 3.97Å; Y1159-Y1184 HydrophobicContact CD2-CE2 4.47Å; Y1159-Y1184 AromaticContact CD2-CG 3.73Å; Y1159-Y1184 HydrophobicContact CD2-CG 3.73Å; Y1159-Y1184 HydrophobicContact CE2-CG 4.32Å; W1162-Y1184 HydrophobicContact CB-CD2 4.2Å; W1162-Y1184 HydrophobicContact CB-CE2 4.39Å; W1162-Y1184 AromaticContact CD2-CD2 3.98Å; W1162-Y1184 HydrophobicContact CD2-CD2 3.98Å; W1162-Y1184 HydrophobicContact CE3-CD2 4.2Å; W1162-Y1184 AromaticContact CG-CD2 3.97Å; W1162-Y1184 HydrophobicContact CG-CD2 3.97Å; Y1184-F1186 HydrophobicContact CD1-CB 4.38Å; Y1184-F1186 WeakPolarHBondContact CD1-O 3.22Å; Y1184-F1186 HydrophobicContact CE1-CB 3.73Å; Y1184-F1186 HydrophobicContact CE1-CD2 4.42Å; Y1184-F1186 VanDerWaalsContact CE1-O 3.25Å; Y1184-F1186 WeakPolarHBondContact CE1-O 3.42Å; Y1184-F1186 HydrophobicContact CE2-CD2 4.31Å; Y1184-F1186 AromaticContact CZ-CD2 3.93Å; Y1184-F1186 PolarHBondContact O-N 3.45Å; Y1184-F1186 VanDerWaalsContact O-N 3.08Å; Y1184-L1188 HydrophobicContact CD1-CD2 4.34Å; Y1184-L1188 HydrophobicContact CE1-CD2 3.65Å; Y1184-L1188 HydrophobicContact CE1-CG 4.24Å
1185	P	56.9	Low	65	Low	29 Å²	29	60.8 Å²	60.8	19%	0.188	30%	0.295	C	S	.	.	S	Bend	trans	-72.9	-6.4	-163.3	26.2	-34.7	0	0	0	114.6	L474 M481 D1183	L474-P1185 HydrophobicContact CD2-CB 3.87Å; M481-P1185 HydrophobicContact CE-CG 3.71Å; M481-P1185 HydrophobicContact SD-CG 4.15Å; D1183-P1185 VanDerWaalsContact O-N 3.17Å
1186	F	63.9	Low	66.2	Low	26 Å²	26	58.6 Å²	58.6	11%	0.114	28%	0.284	C	S	.	.	S	Bend	trans	-121.1	145.8	-173.5	-52.6	-58.6	0	0	0	112.1	M481 Y507 F509 Y1184	M481-F1186 HydrophobicContact CE-CD2 4.33Å; M481-F1186 HydrophobicContact CE-CE2 3.17Å; M481-F1186 HydrophobicContact CE-CZ 3.33Å; M481-F1186 HydrophobicContact SD-CE2 3.84Å; Y507-F1186 HydrophobicContact CE1-CZ 4.39Å; Y507-F1186 VanDerWaalsContact OH-CE2 3.27Å; Y507-F1186 WeakPolarHBondContact OH-CE2 3.46Å; Y507-F1186 VanDerWaalsContact OH-CZ 3.24Å; Y507-F1186 WeakPolarHBondContact OH-CZ 3.27Å; F509-F1186 HydrophobicContact CB-CD1 3.91Å; F509-F1186 HydrophobicContact CB-CE1 3.65Å; F509-F1186 HydrophobicContact CB-CZ 4.03Å; F509-F1186 HydrophobicContact CD1-CB 3.9Å; F509-F1186 AromaticContact CD1-CD1 3.72Å; F509-F1186 HydrophobicContact CD1-CD1 3.72Å; F509-F1186 HydrophobicContact CD1-CD2 4.22Å; F509-F1186 HydrophobicContact CD1-CE1 4.31Å; F509-F1186 AromaticContact CD1-CG 3.68Å; F509-F1186 HydrophobicContact CD1-CG 3.68Å; F509-F1186 HydrophobicContact CD2-CD1 4.25Å; F509-F1186 AromaticContact CD2-CD2 3.74Å; F509-F1186 HydrophobicContact CD2-CD2 3.74Å; F509-F1186 HydrophobicContact CD2-CE1 4.22Å; F509-F1186 AromaticContact CD2-CE2 3.67Å; F509-F1186 HydrophobicContact CD2-CE2 3.67Å; F509-F1186 HydrophobicContact CD2-CG 4.03Å; F509-F1186 AromaticContact CD2-CZ 3.95Å; F509-F1186 HydrophobicContact CD2-CZ 3.95Å; F509-F1186 HydrophobicContact CE1-CB 3.64Å; F509-F1186 HydrophobicContact CE1-CD1 4.32Å; F509-F1186 HydrophobicContact CE1-CD2 4.2Å; F509-F1186 AromaticContact CE1-CG 3.81Å; F509-F1186 HydrophobicContact CE1-CG 3.81Å; F509-F1186 AromaticContact CE2-CD2 3.7Å; F509-F1186 HydrophobicContact CE2-CD2 3.7Å; F509-F1186 AromaticContact CE2-CE2 3.98Å; F509-F1186 HydrophobicContact CE2-CE2 3.98Å; F509-F1186 HydrophobicContact CE2-CG 4.13Å; F509-F1186 AromaticContact CG-CD1 3.67Å; F509-F1186 HydrophobicContact CG-CD1 3.67Å; F509-F1186 HydrophobicContact CG-CD2 4Å; F509-F1186 AromaticContact CG-CE1 3.8Å; F509-F1186 HydrophobicContact CG-CE1 3.8Å; F509-F1186 HydrophobicContact CG-CE2 4.08Å; F509-F1186 AromaticContact CG-CG 3.8Å; F509-F1186 HydrophobicContact CG-CG 3.8Å; F509-F1186 HydrophobicContact CG-CZ 4.01Å; F509-F1186 HydrophobicContact CZ-CB 4.03Å; F509-F1186 AromaticContact CZ-CD2 3.93Å; F509-F1186 HydrophobicContact CZ-CD2 3.93Å; F509-F1186 HydrophobicContact CZ-CG 4.02Å; Y1184-F1186 HydrophobicContact CD1-CB 4.38Å; Y1184-F1186 WeakPolarHBondContact CD1-O 3.22Å; Y1184-F1186 HydrophobicContact CE1-CB 3.73Å; Y1184-F1186 HydrophobicContact CE1-CD2 4.42Å; Y1184-F1186 VanDerWaalsContact CE1-O 3.25Å; Y1184-F1186 WeakPolarHBondContact CE1-O 3.42Å; Y1184-F1186 HydrophobicContact CE2-CD2 4.31Å; Y1184-F1186 AromaticContact CZ-CD2 3.93Å; Y1184-F1186 PolarHBondContact O-N 3.45Å; Y1184-F1186 VanDerWaalsContact O-N 3.08Å
1187	Q	64.3	Low	67.6	Low	146 Å²	146	54 Å²	54	68%	0.682	27%	0.267	S	S	*	.			trans	-75.6	132.9	168.8	-69	-178.9	-12.4	0	0	109.3	K1189	Q1187-K1189 HydrophobicContact CB-CG 3.96Å; Q1187-K1189 PolarHBondContact O-N 2.84Å
1188	L	69.3	Low	69.1	Low	66 Å²	66	55.1 Å²	55.1	35%	0.346	27%	0.271	S	S	.	.			trans	-78.3	65.9	175.1	-62.1	173	0	0	0	110.2	E1155 Y1184 A1191 S1192	E1155-L1188 HydrophobicContact CB-CD2 4.03Å; E1155-L1188 VanDerWaalsContact OE2-C 3.27Å; E1155-L1188 WeakPolarHBondContact OE2-CA 3.32Å; Y1184-L1188 HydrophobicContact CD1-CD2 4.34Å; Y1184-L1188 HydrophobicContact CE1-CD2 3.65Å; Y1184-L1188 HydrophobicContact CE1-CG 4.24Å; L1188-A1191 HydrophobicContact CB-CB 3.93Å; L1188-S1192 PolarHBondContact O-N 2.73Å
1189	K	73.5	Confident	70.4	Confident	61 Å²	61	58.9 Å²	58.9	27%	0.265	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-52.1	-173.7	-67.5	-172.8	-176.5	-169.4	0	109.7	D1126 L1129 E1155 Q1187 A1191 S1192 V1193	D1126-K1189 VanDerWaalsContact CG-NZ 3.31Å; D1126-K1189 WeakPolarHBondContact OD1-CE 3.4Å; D1126-K1189 IonicContact OD1-NZ 2.66Å; D1126-K1189 PolarHBondContact OD1-NZ 3.01Å; D1126-K1189 IonicContact OD2-NZ 3.26Å; D1126-K1189 PolarHBondContact OD2-NZ 3.12Å; D1126-K1189 VanDerWaalsContact OD2-NZ 3.11Å; L1129-K1189 HydrophobicContact CD1-CB 3.81Å; L1129-K1189 HydrophobicContact CD1-CD 4.28Å; L1129-K1189 HydrophobicContact CD1-CG 4.01Å; E1155-K1189 PolarHBondContact OE1-N 3.5Å; E1155-K1189 VanDerWaalsContact OE1-N 3.08Å; E1155-K1189 PolarHBondContact OE2-N 3.28Å; Q1187-K1189 HydrophobicContact CB-CG 3.96Å; Q1187-K1189 PolarHBondContact O-N 2.84Å; K1189-A1191 PolarHBondContact O-N 2.78Å; K1189-S1192 PolarHBondContact O-N 3.02Å; K1189-S1192 PolarHBondContact O-OG 3.26Å; K1189-V1193 WeakPolarHBondContact O-CG2 3.49Å; K1189-V1193 PolarHBondContact O-N 3.24Å
1190	Y	77	Confident	71.6	Confident	43 Å²	43	57.6 Å²	57.6	17%	0.169	28%	0.284	C	S	.	.	H	α-helix	trans	-72.2	-30	-175.4	-60	-70	0	0	0	112.7	L1125 Y1147 F1148 L1151 E1155 S1192 V1193 W1194	L1125-Y1190 HydrophobicContact CD2-CE1 3.8Å; Y1147-Y1190 HydrophobicContact CE1-CE1 4.34Å; F1148-Y1190 AromaticContact CD1-CD1 3.91Å; F1148-Y1190 HydrophobicContact CD1-CD1 3.91Å; F1148-Y1190 HydrophobicContact CD1-CE1 4.43Å; F1148-Y1190 HydrophobicContact CE1-CD1 4.12Å; F1148-Y1190 HydrophobicContact CE1-CE1 4.24Å; L1151-Y1190 HydrophobicContact CB-CD1 4.14Å; L1151-Y1190 HydrophobicContact CB-CD2 3.84Å; L1151-Y1190 HydrophobicContact CB-CE2 4.47Å; L1151-Y1190 HydrophobicContact CB-CG 3.65Å; L1151-Y1190 HydrophobicContact CD1-CD1 3.88Å; L1151-Y1190 HydrophobicContact CD1-CD2 4.11Å; L1151-Y1190 HydrophobicContact CD1-CE1 3.71Å; L1151-Y1190 HydrophobicContact CD1-CE2 3.96Å; L1151-Y1190 HydrophobicContact CD1-CG 4.08Å; L1151-Y1190 HydrophobicContact CD2-CD2 4.29Å; L1151-Y1190 HydrophobicContact CD2-CE2 4.25Å; L1151-Y1190 HydrophobicContact CG-CD2 4.33Å; L1151-Y1190 HydrophobicContact CG-CE2 4.49Å; L1151-Y1190 HydrophobicContact CG-CG 4.42Å; E1155-Y1190 HydrophobicContact CG-CD2 4.34Å; E1155-Y1190 WeakPolarHBondContact OE1-CD2 3.39Å; E1155-Y1190 PolarHBondContact OE1-N 2.89Å; E1155-Y1190 VanDerWaalsContact OE1-N 3.07Å; E1155-Y1190 WeakPolarHBondContact OE2-CA 3.42Å; E1155-Y1190 PolarHBondContact OE2-N 2.78Å; Y1190-S1192 VanDerWaalsContact C-N 3.3Å; Y1190-S1192 PolarHBondContact O-N 3.48Å; Y1190-V1193 PolarHBondContact O-N 2.87Å; Y1190-W1194 VanDerWaalsContact O-CB 3.25Å; Y1190-W1194 WeakPolarHBondContact O-CB 3.3Å; Y1190-W1194 PolarHBondContact O-N 3.44Å
1191	A	77	Confident	73	Confident	17 Å²	17	55.9 Å²	55.9	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-40.5	170.3	0	0	0	0	0	112.3	Y1152 E1155 L1188 K1189 R1195	Y1152-A1191 VanDerWaalsContact CD2-CA 3.46Å; Y1152-A1191 HydrophobicContact CD2-CB 3.57Å; Y1152-A1191 HydrophobicContact CE2-CB 3.97Å; E1155-A1191 PolarHBondContact OE2-N 3.42Å; L1188-A1191 HydrophobicContact CB-CB 3.93Å; K1189-A1191 PolarHBondContact O-N 2.78Å; A1191-R1195 WeakPolarHBondContact O-CB 3.35Å; A1191-R1195 PolarHBondContact O-N 3.04Å
1192	S	78.1	Confident	74.8	Confident	53 Å²	53	57.7 Å²	57.7	37%	0.371	29%	0.286	S	S	.	.	H	α-helix	trans	-69.2	-43.3	175.7	70.3	0	0	0	0	112.4	L1129 L1188 K1189 Y1190 R1195 F1196	L1129-S1192 WeakPolarHBondContact CD2-OG 3.04Å; L1188-S1192 PolarHBondContact O-N 2.73Å; K1189-S1192 PolarHBondContact O-N 3.02Å; K1189-S1192 PolarHBondContact O-OG 3.26Å; Y1190-S1192 VanDerWaalsContact C-N 3.3Å; Y1190-S1192 PolarHBondContact O-N 3.48Å; S1192-R1195 PolarHBondContact O-N 3.35Å; S1192-F1196 VanDerWaalsContact O-CB 3.31Å; S1192-F1196 WeakPolarHBondContact O-CB 3.44Å; S1192-F1196 PolarHBondContact O-N 2.83Å
1193	V	81	Confident	76.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-50.7	174.6	-178.6	0	0	0	0	110.6	L1125 L1129 Y1136 F1148 K1189 Y1190 R1195 F1196 M1197	L1125-V1193 HydrophobicContact CD1-CG2 4.28Å; L1129-V1193 HydrophobicContact CD1-CG2 4.43Å; L1129-V1193 HydrophobicContact CD2-CG2 3.45Å; L1129-V1193 VanDerWaalsContact CD2-CG2 3.45Å; L1129-V1193 HydrophobicContact CG-CG2 4.13Å; Y1136-V1193 HydrophobicContact CE2-CG1 3.78Å; F1148-V1193 HydrophobicContact CD1-CB 4.29Å; F1148-V1193 HydrophobicContact CD1-CG1 3.67Å; F1148-V1193 HydrophobicContact CE1-CG1 3.81Å; F1148-V1193 HydrophobicContact CG-CG1 4.24Å; F1148-V1193 HydrophobicContact CZ-CG1 4.49Å; K1189-V1193 WeakPolarHBondContact O-CG2 3.49Å; K1189-V1193 PolarHBondContact O-N 3.24Å; Y1190-V1193 PolarHBondContact O-N 2.87Å; V1193-R1195 PolarHBondContact O-N 3.34Å; V1193-F1196 PolarHBondContact O-N 3.09Å; V1193-M1197 HydrophobicContact CG1-CE 4.05Å; V1193-M1197 HydrophobicContact CG1-CG 4.38Å; V1193-M1197 HydrophobicContact CG1-SD 4.23Å; V1193-M1197 WeakPolarHBondContact O-CG 3.11Å; V1193-M1197 PolarHBondContact O-N 3.13Å
1194	W	84.5	Confident	77.4	Confident	25 Å²	25	60.1 Å²	60.1	10%	0.095	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-44.4	-177.3	-177.5	-111.8	0	0	0	112.1	A1145 F1148 Q1149 Y1152 Y1190 F1196 M1197 N1198 M1202	A1145-W1194 VanDerWaalsContact O-CZ3 3.24Å; A1145-W1194 WeakPolarHBondContact O-CZ3 3.43Å; F1148-W1194 HydrophobicContact CB-CE3 3.98Å; Q1149-W1194 HydrophobicContact CB-CD2 4.29Å; Q1149-W1194 HydrophobicContact CB-CE3 4.01Å; Q1149-W1194 HydrophobicContact CB-CH2 3.49Å; Q1149-W1194 VanDerWaalsContact CB-CH2 3.49Å; Q1149-W1194 HydrophobicContact CB-CZ2 3.76Å; Q1149-W1194 HydrophobicContact CB-CZ3 3.62Å; Q1149-W1194 HydrophobicContact CG-CH2 3.79Å; Q1149-W1194 HydrophobicContact CG-CZ2 3.56Å; Q1149-W1194 HydrophobicContact CG-CZ3 4.37Å; Y1152-W1194 AromaticContact CD1-CD1 3.23Å; Y1152-W1194 AromaticContact CD1-CG 3.92Å; Y1152-W1194 HydrophobicContact CD1-CG 3.92Å; Y1152-W1194 AromaticContact CD1-NE1 3.63Å; Y1152-W1194 AromaticContact CE1-CD1 3.62Å; Y1152-W1194 AromaticContact CE1-NE1 3.91Å; Y1152-W1194 HydrophobicContact CG-CB 4.03Å; Y1152-W1194 AromaticContact CG-CD1 3.59Å; Y1152-W1194 AromaticContact CG-CG 3.93Å; Y1152-W1194 HydrophobicContact CG-CG 3.93Å; Y1190-W1194 VanDerWaalsContact O-CB 3.25Å; Y1190-W1194 WeakPolarHBondContact O-CB 3.3Å; Y1190-W1194 PolarHBondContact O-N 3.44Å; W1194-F1196 VanDerWaalsContact C-N 3.35Å; W1194-F1196 PolarHBondContact O-N 3.33Å; W1194-M1197 HydrophobicContact CE3-CE 3.59Å; W1194-M1197 HydrophobicContact CZ3-CE 4.06Å; W1194-M1197 PolarHBondContact O-N 2.81Å; W1194-N1198 VanDerWaalsContact CE2-ND2 3.27Å; W1194-N1198 PolarHBondContact NE1-ND2 3.14Å; W1194-N1198 PolarHBondContact O-N 3.17Å; W1194-N1198 PolarHBondContact O-ND2 2.94Å; W1194-N1198 VanDerWaalsContact O-ND2 3.11Å; W1194-M1202 HydrophobicContact CH2-CE 3.76Å; W1194-M1202 HydrophobicContact CH2-SD 4.17Å; W1194-M1202 HydrophobicContact CZ2-CE 4.33Å; W1194-M1202 HydrophobicContact CZ3-SD 4.44Å
1195	R	83.3	Confident	77.8	Confident	169 Å²	169	61.1 Å²	61.1	64%	0.638	30%	0.296	S	S	*	.	H	α-helix	trans	-59.8	-46.3	174.4	-176.5	177.7	179.8	141.1	2.3	111.3	A1191 S1192 V1193 N1198 E1199	A1191-R1195 WeakPolarHBondContact O-CB 3.35Å; A1191-R1195 PolarHBondContact O-N 3.04Å; S1192-R1195 PolarHBondContact O-N 3.35Å; V1193-R1195 PolarHBondContact O-N 3.34Å; R1195-N1198 PolarHBondContact O-N 2.65Å; R1195-E1199 WeakPolarHBondContact CG-OE1 3.49Å; R1195-E1199 IonicContact CZ-OE1 3.47Å; R1195-E1199 IonicContact NE-OE1 3.33Å; R1195-E1199 PolarHBondContact NE-OE1 3.21Å; R1195-E1199 IonicContact NH2-OE1 3.12Å; R1195-E1199 WeakPolarHBondContact O-CG 3.16Å; R1195-E1199 PolarHBondContact O-N 3.41Å
1196	F	84.7	Confident	78.4	Confident	45 Å²	45	63.2 Å²	63.2	20%	0.197	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-45	179.5	-172.4	-97.2	0	0	0	112.3	L1135 Y1136 S1192 V1193 W1194 N1198 E1199 V1200	L1135-F1196 HydrophobicContact CD2-CZ 4Å; Y1136-F1196 AromaticContact CD1-CD1 3.9Å; Y1136-F1196 HydrophobicContact CD1-CD1 3.9Å; Y1136-F1196 AromaticContact CD1-CE1 3.51Å; Y1136-F1196 HydrophobicContact CD1-CE1 3.51Å; Y1136-F1196 HydrophobicContact CD1-CZ 4.48Å; Y1136-F1196 AromaticContact CD2-CD1 3.94Å; Y1136-F1196 HydrophobicContact CD2-CD1 3.94Å; Y1136-F1196 HydrophobicContact CD2-CE1 4.28Å; Y1136-F1196 AromaticContact CE1-CD1 3.46Å; Y1136-F1196 HydrophobicContact CE1-CD1 3.46Å; Y1136-F1196 VanDerWaalsContact CE1-CD1 3.46Å; Y1136-F1196 AromaticContact CE1-CE1 3.36Å; Y1136-F1196 HydrophobicContact CE1-CE1 3.36Å; Y1136-F1196 HydrophobicContact CE1-CG 4.33Å; Y1136-F1196 HydrophobicContact CE1-CZ 4.2Å; Y1136-F1196 HydrophobicContact CE2-CB 4.43Å; Y1136-F1196 AromaticContact CE2-CD1 3.48Å; Y1136-F1196 HydrophobicContact CE2-CD1 3.48Å; Y1136-F1196 VanDerWaalsContact CE2-CD1 3.48Å; Y1136-F1196 HydrophobicContact CE2-CE1 4.14Å; Y1136-F1196 HydrophobicContact CE2-CG 4.33Å; Y1136-F1196 HydrophobicContact CG-CD1 4.12Å; Y1136-F1196 AromaticContact CG-CE1 3.98Å; Y1136-F1196 HydrophobicContact CG-CE1 3.98Å; Y1136-F1196 AromaticContact CZ-CD1 3.24Å; Y1136-F1196 AromaticContact CZ-CE1 3.71Å; Y1136-F1196 AromaticContact CZ-CG 3.92Å; S1192-F1196 VanDerWaalsContact O-CB 3.31Å; S1192-F1196 WeakPolarHBondContact O-CB 3.44Å; S1192-F1196 PolarHBondContact O-N 2.83Å; V1193-F1196 PolarHBondContact O-N 3.09Å; W1194-F1196 VanDerWaalsContact C-N 3.35Å; W1194-F1196 PolarHBondContact O-N 3.33Å; F1196-N1198 VanDerWaalsContact C-N 3.29Å; F1196-N1198 PolarHBondContact O-N 3.35Å; F1196-E1199 PolarHBondContact O-N 2.8Å; F1196-E1199 VanDerWaalsContact O-N 3.15Å; F1196-V1200 HydrophobicContact CD1-CG2 4.04Å; F1196-V1200 HydrophobicContact CE1-CG2 3.8Å; F1196-V1200 HydrophobicContact CZ-CG2 4.15Å; F1196-V1200 WeakPolarHBondContact O-CG2 3.46Å; F1196-V1200 PolarHBondContact O-N 3.38Å
1197	M	87.2	Confident	78.8	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-37	176.5	-68.5	-168.9	-57.8	0	0	112.4	Y1136 A1138 F1148 V1193 W1194 G1201 I1226	Y1136-M1197 HydrophobicContact CD2-CG 3.95Å; Y1136-M1197 HydrophobicContact CE2-CG 4.03Å; A1138-M1197 HydrophobicContact CB-SD 4.36Å; F1148-M1197 HydrophobicContact CB-CE 3.47Å; F1148-M1197 VanDerWaalsContact CB-CE 3.47Å; F1148-M1197 HydrophobicContact CD2-CE 3.88Å; F1148-M1197 HydrophobicContact CD2-SD 4.33Å; F1148-M1197 HydrophobicContact CG-CE 3.72Å; V1193-M1197 HydrophobicContact CG1-CE 4.05Å; V1193-M1197 HydrophobicContact CG1-CG 4.38Å; V1193-M1197 HydrophobicContact CG1-SD 4.23Å; V1193-M1197 WeakPolarHBondContact O-CG 3.11Å; V1193-M1197 PolarHBondContact O-N 3.13Å; W1194-M1197 HydrophobicContact CE3-CE 3.59Å; W1194-M1197 HydrophobicContact CZ3-CE 4.06Å; W1194-M1197 PolarHBondContact O-N 2.81Å; M1197-G1201 CarbonylContact O-C 3.58Å; M1197-G1201 WeakPolarHBondContact O-CA 3.31Å; M1197-G1201 PolarHBondContact O-N 2.79Å; M1197-I1226 HydrophobicContact SD-CD1 4.17Å
1198	N	85.2	Confident	79.3	Confident	74 Å²	74	64.2 Å²	64.2	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-69.8	-35.8	174.6	-75	-38	0	0	0	112.6	W1194 R1195 F1196 G1201	W1194-N1198 VanDerWaalsContact CE2-ND2 3.27Å; W1194-N1198 PolarHBondContact NE1-ND2 3.14Å; W1194-N1198 PolarHBondContact O-N 3.17Å; W1194-N1198 PolarHBondContact O-ND2 2.94Å; W1194-N1198 VanDerWaalsContact O-ND2 3.11Å; R1195-N1198 PolarHBondContact O-N 2.65Å; F1196-N1198 VanDerWaalsContact C-N 3.29Å; F1196-N1198 PolarHBondContact O-N 3.35Å; N1198-G1201 PolarHBondContact O-N 3.36Å
1199	E	84.8	Confident	79.5	Confident	129 Å²	129	61.1 Å²	61.1	60%	0.603	29%	0.287	S	S	*	.	H	α-helix	trans	-68.2	-37.6	174.9	-74.1	174.8	-173.3	0	0	111.9	R1195 F1196 G1201	R1195-E1199 WeakPolarHBondContact CG-OE1 3.49Å; R1195-E1199 IonicContact CZ-OE1 3.47Å; R1195-E1199 IonicContact NE-OE1 3.33Å; R1195-E1199 PolarHBondContact NE-OE1 3.21Å; R1195-E1199 IonicContact NH2-OE1 3.12Å; R1195-E1199 WeakPolarHBondContact O-CG 3.16Å; R1195-E1199 PolarHBondContact O-N 3.41Å; F1196-E1199 PolarHBondContact O-N 2.8Å; F1196-E1199 VanDerWaalsContact O-N 3.15Å; E1199-G1201 VanDerWaalsContact C-N 3.33Å
1200	V	84.4	Confident	79.4	Confident	37 Å²	37	61.5 Å²	61.5	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-72.3	-28.2	173	175.8	0	0	0	0	112.1	L1135 F1196 F1223	L1135-V1200 HydrophobicContact CB-CG1 4.26Å; L1135-V1200 HydrophobicContact CB-CG2 4.26Å; L1135-V1200 HydrophobicContact CD2-CG2 3.95Å; F1196-V1200 HydrophobicContact CD1-CG2 4.04Å; F1196-V1200 HydrophobicContact CE1-CG2 3.8Å; F1196-V1200 HydrophobicContact CZ-CG2 4.15Å; F1196-V1200 WeakPolarHBondContact O-CG2 3.46Å; F1196-V1200 PolarHBondContact O-N 3.38Å; V1200-F1223 HydrophobicContact CG1-CE2 3.98Å
1201	G	85.4	Confident	79.3	Confident	28 Å²	28	63.6 Å²	63.6	29%	0.289	30%	0.303	S	S	.	.			trans	91.2	133.8	-172.1	0	0	0	0	0	112.1	S1137 M1197 N1198 E1199	S1137-G1201 PolarHBondContact OG-O 3.06Å; M1197-G1201 CarbonylContact O-C 3.58Å; M1197-G1201 WeakPolarHBondContact O-CA 3.31Å; M1197-G1201 PolarHBondContact O-N 2.79Å; N1198-G1201 PolarHBondContact O-N 3.36Å; E1199-G1201 VanDerWaalsContact C-N 3.33Å
1202	M	84.3	Confident	79.4	Confident	61 Å²	61	66.7 Å²	66.7	30%	0.3	31%	0.311	S	S	.	.			trans	-70.1	141.8	173.2	-80.3	-160.8	-89.8	0	0	111.7	S1137 A1145 W1194	S1137-M1202 WeakPolarHBondContact OG-CA 3.49Å; A1145-M1202 HydrophobicContact CB-SD 4.05Å; W1194-M1202 HydrophobicContact CH2-CE 3.76Å; W1194-M1202 HydrophobicContact CH2-SD 4.17Å; W1194-M1202 HydrophobicContact CZ2-CE 4.33Å; W1194-M1202 HydrophobicContact CZ3-SD 4.44Å
1203	L	81.9	Confident	79.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-74.5	149.5	179	-67.9	153.4	0	0	0	110.8	A1138 V1139 S1140 E1208 F1223 L1225	A1138-L1203 PolarHBondContact O-N 3.35Å; A1138-L1203 VanDerWaalsContact O-N 3.15Å; V1139-L1203 HydrophobicContact CG2-CB 4.1Å; V1139-L1203 HydrophobicContact CG2-CD1 4.39Å; S1140-L1203 WeakPolarHBondContact CB-O 3.33Å; S1140-L1203 PolarHBondContact N-O 2.78Å; L1203-E1208 HydrophobicContact CD2-CB 4.46Å; L1203-E1208 HydrophobicContact CD2-CG 4.03Å; L1203-F1223 HydrophobicContact CD1-CE1 4.1Å; L1203-F1223 HydrophobicContact CD1-CZ 3.86Å; L1203-F1223 HydrophobicContact CD2-CE1 4.4Å; L1203-F1223 HydrophobicContact CD2-CZ 4.13Å; L1203-F1223 HydrophobicContact CG-CZ 4.21Å; L1203-L1225 HydrophobicContact CD1-CD1 3.37Å
1204	R	77.6	Confident	78.8	Confident	223 Å²	223	66.8 Å²	66.8	84%	0.842	31%	0.307	S	S	*	.	S	Bend	trans	-89.8	-27.4	177.9	-59.3	179.6	-178.5	-178.8	0.4	113.1	E1208	R1204-E1208 WeakPolarHBondContact CB-OE2 3.4Å; R1204-E1208 PolarHBondContact N-OE2 2.02Å
1205	S	70.2	Confident	78.3	Confident	51 Å²	51	72.4 Å²	72.4	36%	0.357	33%	0.334	S	S	.	.			trans	-151	157.5	-179.8	67.2	0	0	0	0	111.4	K1207 E1208 G1209	S1205-K1207 PolarHBondContact O-N 2.97Å; S1205-E1208 PolarHBondContact O-N 2.93Å; S1205-E1208 PolarHBondContact OG-N 3.2Å; S1205-G1209 PolarHBondContact O-N 3.07Å; S1205-G1209 VanDerWaalsContact O-N 3.13Å
1206	Y	68.5	Low	77.7	Confident	73 Å²	73	64.9 Å²	64.9	29%	0.286	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-32.9	172.3	-76.5	-68.6	0	0	0	112.5	V1139 T1142 E1144 G1209 I1210 L1225	V1139-Y1206 HydrophobicContact CB-CE1 4.49Å; V1139-Y1206 HydrophobicContact CG2-CD1 3.64Å; V1139-Y1206 HydrophobicContact CG2-CD2 4.37Å; V1139-Y1206 HydrophobicContact CG2-CE1 3.78Å; V1139-Y1206 HydrophobicContact CG2-CE2 4.49Å; V1139-Y1206 HydrophobicContact CG2-CG 3.96Å; T1142-Y1206 HydrophobicContact CG2-CE2 4.01Å; E1144-Y1206 PolarHBondContact OE2-OH 2.92Å; Y1206-G1209 WeakPolarHBondContact O-CA 3.18Å; Y1206-G1209 PolarHBondContact O-N 3.06Å; Y1206-G1209 VanDerWaalsContact O-N 3.16Å; Y1206-I1210 WeakPolarHBondContact O-CG1 3.31Å; Y1206-I1210 PolarHBondContact O-N 2.91Å; Y1206-L1225 HydrophobicContact CD1-CD2 4.3Å
1207	K	72.2	Confident	76.7	Confident	149 Å²	149	68.5 Å²	68.5	65%	0.648	33%	0.329	S	S	*	.	H	α-helix	trans	-61.6	-48.6	177.1	-173.1	178.7	177.7	-177.6	0	111.6	S1205 G1209 I1210 E1211	S1205-K1207 PolarHBondContact O-N 2.97Å; K1207-G1209 VanDerWaalsContact C-N 3.26Å; K1207-G1209 PolarHBondContact O-N 3.17Å; K1207-I1210 PolarHBondContact O-N 3.18Å; K1207-E1211 VanDerWaalsContact CE-OE1 3.24Å; K1207-E1211 WeakPolarHBondContact CE-OE1 3.05Å; K1207-E1211 WeakPolarHBondContact O-CG 3.39Å; K1207-E1211 PolarHBondContact O-N 2.85Å
1208	E	76.5	Confident	75.2	Confident	45 Å²	45	75.3 Å²	75.3	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-58.4	-40.7	173.3	-176.6	-171.6	179.4	0	0	111.1	L1203 R1204 S1205 E1211 R1212	L1203-E1208 HydrophobicContact CD2-CB 4.46Å; L1203-E1208 HydrophobicContact CD2-CG 4.03Å; R1204-E1208 WeakPolarHBondContact CB-OE2 3.4Å; R1204-E1208 PolarHBondContact N-OE2 2.02Å; S1205-E1208 PolarHBondContact O-N 2.93Å; S1205-E1208 PolarHBondContact OG-N 3.2Å; E1208-E1211 PolarHBondContact O-N 2.91Å; E1208-R1212 WeakPolarHBondContact O-CG 3.41Å; E1208-R1212 PolarHBondContact O-N 3.44Å; E1208-R1212 IonicContact OE1-CZ 3.06Å; E1208-R1212 IonicContact OE1-NE 2.68Å; E1208-R1212 IonicContact OE1-NH2 3.19Å; E1208-R1212 PolarHBondContact OE1-NH2 3.06Å
1209	G	72.4	Confident	73.7	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-60.7	-48	177.2	0	0	0	0	0	112.9	S1205 Y1206 K1207 R1212 V1213	S1205-G1209 PolarHBondContact O-N 3.07Å; S1205-G1209 VanDerWaalsContact O-N 3.13Å; Y1206-G1209 WeakPolarHBondContact O-CA 3.18Å; Y1206-G1209 PolarHBondContact O-N 3.06Å; Y1206-G1209 VanDerWaalsContact O-N 3.16Å; K1207-G1209 VanDerWaalsContact C-N 3.26Å; K1207-G1209 PolarHBondContact O-N 3.17Å; G1209-R1212 PolarHBondContact O-N 3.34Å; G1209-V1213 WeakPolarHBondContact O-CG2 3.17Å; G1209-V1213 PolarHBondContact O-N 3.23Å
1210	I	71.9	Confident	72.3	Confident	70 Å²	70	81 Å²	81	36%	0.359	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-42.9	177.9	-66.5	165	0	0	0	110.5	L1044 Y1206 K1207 R1212 V1213 L1214 L1225	L1044-I1210 HydrophobicContact CD2-CG1 4.42Å; Y1206-I1210 WeakPolarHBondContact O-CG1 3.31Å; Y1206-I1210 PolarHBondContact O-N 2.91Å; K1207-I1210 PolarHBondContact O-N 3.18Å; I1210-R1212 VanDerWaalsContact C-N 3.33Å; I1210-R1212 PolarHBondContact O-N 2.78Å; I1210-V1213 PolarHBondContact O-N 3.41Å; I1210-V1213 VanDerWaalsContact O-N 3.16Å; I1210-L1214 HydrophobicContact CG2-CD1 3.91Å; I1210-L1214 HydrophobicContact CG2-CG 4.31Å; I1210-L1214 WeakPolarHBondContact O-CG 3.49Å; I1210-L1214 PolarHBondContact O-N 2.81Å; I1210-L1225 HydrophobicContact CG1-CD2 4.14Å
1211	E	74.1	Confident	71.2	Confident	87 Å²	87	88.2 Å²	88.2	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-58.4	-43.1	175.7	-74.9	171.4	-170.6	0	0	111.7	K1207 E1208 L1214 Q1215	K1207-E1211 VanDerWaalsContact CE-OE1 3.24Å; K1207-E1211 WeakPolarHBondContact CE-OE1 3.05Å; K1207-E1211 WeakPolarHBondContact O-CG 3.39Å; K1207-E1211 PolarHBondContact O-N 2.85Å; E1208-E1211 PolarHBondContact O-N 2.91Å; E1211-L1214 PolarHBondContact O-N 2.86Å; E1211-Q1215 WeakPolarHBondContact O-CB 3.43Å; E1211-Q1215 VanDerWaalsContact O-CG 3.25Å; E1211-Q1215 WeakPolarHBondContact O-CG 3.27Å; E1211-Q1215 PolarHBondContact O-N 2.9Å
1212	R	79.1	Confident	70.6	Confident	81 Å²	81	88 Å²	88	31%	0.306	40%	0.401	S	S	.	.	H	α-helix	trans	-65.8	-37	175.4	-71.2	-171.4	-167.5	-166.5	2.3	113	E1208 G1209 I1210 S1216 F1223	E1208-R1212 WeakPolarHBondContact O-CG 3.41Å; E1208-R1212 PolarHBondContact O-N 3.44Å; E1208-R1212 IonicContact OE1-CZ 3.06Å; E1208-R1212 IonicContact OE1-NE 2.68Å; E1208-R1212 IonicContact OE1-NH2 3.19Å; E1208-R1212 PolarHBondContact OE1-NH2 3.06Å; G1209-R1212 PolarHBondContact O-N 3.34Å; I1210-R1212 VanDerWaalsContact C-N 3.33Å; I1210-R1212 PolarHBondContact O-N 2.78Å; R1212-S1216 PolarHBondContact O-N 2.93Å; R1212-F1223 HydrophobicContact CB-CB 4.34Å; R1212-F1223 HydrophobicContact CB-CD1 3.57Å; R1212-F1223 HydrophobicContact CB-CE1 3.99Å; R1212-F1223 HydrophobicContact CB-CG 3.91Å
1213	V	74.3	Confident	70.5	Confident	0 Å²	0	85.7 Å²	85.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-63.4	-43.3	173.1	174.1	0	0	0	0	110	L1044 K1046 G1209 I1210 S1216 F1223 L1225	L1044-V1213 HydrophobicContact CD2-CG1 4.44Å; L1044-V1213 HydrophobicContact CD2-CG2 4.4Å; K1046-V1213 HydrophobicContact CB-CG1 4.08Å; K1046-V1213 VanDerWaalsContact N-CG1 3.31Å; G1209-V1213 WeakPolarHBondContact O-CG2 3.17Å; G1209-V1213 PolarHBondContact O-N 3.23Å; I1210-V1213 PolarHBondContact O-N 3.41Å; I1210-V1213 VanDerWaalsContact O-N 3.16Å; V1213-S1216 VanDerWaalsContact O-CB 3.3Å; V1213-S1216 WeakPolarHBondContact O-CB 3.26Å; V1213-S1216 PolarHBondContact O-N 3.33Å; V1213-S1216 PolarHBondContact O-OG 2.92Å; V1213-F1223 HydrophobicContact CG2-CD1 3.85Å; V1213-F1223 HydrophobicContact CG2-CE1 4.44Å; V1213-L1225 HydrophobicContact CG2-CB 3.75Å
1214	L	72.1	Confident	70.4	Confident	56 Å²	56	85.7 Å²	85.7	29%	0.293	39%	0.389	S	S	.	.	H	α-helix	trans	-69.5	-39.3	179.8	-68.7	172.2	0	0	0	113.1	K1046 I1210 E1211 S1216 V1272	K1046-L1214 PolarHBondContact NZ-O 2.91Å; I1210-L1214 HydrophobicContact CG2-CD1 3.91Å; I1210-L1214 HydrophobicContact CG2-CG 4.31Å; I1210-L1214 WeakPolarHBondContact O-CG 3.49Å; I1210-L1214 PolarHBondContact O-N 2.81Å; E1211-L1214 PolarHBondContact O-N 2.86Å; L1214-S1216 PolarHBondContact O-N 3.1Å; L1214-V1272 HydrophobicContact CD2-CB 4.24Å; L1214-V1272 HydrophobicContact CD2-CG1 3.64Å
1215	Q	74.8	Confident	70.5	Confident	143 Å²	143	75.4 Å²	75.4	67%	0.668	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-4.5	174.8	-72.8	175.6	6	0	0	113.6	E1211 D1217	E1211-Q1215 WeakPolarHBondContact O-CB 3.43Å; E1211-Q1215 VanDerWaalsContact O-CG 3.25Å; E1211-Q1215 WeakPolarHBondContact O-CG 3.27Å; E1211-Q1215 PolarHBondContact O-N 2.9Å; Q1215-D1217 PolarHBondContact O-N 3.33Å
1216	S	69.3	Low	70.9	Confident	10 Å²	10	73 Å²	73	7%	0.07	33%	0.334	C	S	.	.			trans	-63.8	119.5	178	62.8	0	0	0	0	112	K1046 R1212 V1213 L1214	K1046-S1216 WeakPolarHBondContact CB-OG 3.37Å; K1046-S1216 WeakPolarHBondContact CD-OG 3.47Å; K1046-S1216 PolarHBondContact NZ-O 2.72Å; R1212-S1216 PolarHBondContact O-N 2.93Å; V1213-S1216 VanDerWaalsContact O-CB 3.3Å; V1213-S1216 WeakPolarHBondContact O-CB 3.26Å; V1213-S1216 PolarHBondContact O-N 3.33Å; V1213-S1216 PolarHBondContact O-OG 2.92Å; L1214-S1216 PolarHBondContact O-N 3.1Å
1217	D	64.5	Low	71	Confident	121 Å²	121	69.9 Å²	69.9	65%	0.647	32%	0.324	S	S	*	.	B	Isolated β-bridge	trans	-92.1	143.3	175.1	-81.9	-26.9	0	0	0	111.5	Q1215 H1219	Q1215-D1217 PolarHBondContact O-N 3.33Å; D1217-H1219 PolarHBondContact O-N 3.33Å
1218	R	55.5	Low	70.6	Confident	144 Å²	144	66.9 Å²	66.9	54%	0.543	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.7	-177.4	-75	-174.7	178.3	174.6	1.6	115.1
1219	H	54.1	Low	69.7	Low	167 Å²	167	68.2 Å²	68.2	77%	0.773	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-18	-161.9	-72.4	-47.3	0	0	0	117.1	D1217	D1217-H1219 PolarHBondContact O-N 3.33Å
1220	N	55.3	Low	68.7	Low	154 Å²	154	74.4 Å²	74.4	82%	0.824	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.9	-24.2	-178.2	-87.4	-29.8	0	0	0	116.9
1221	R	61.1	Low	67.5	Low	190 Å²	190	73.7 Å²	73.7	72%	0.717	34%	0.342	S	S	*	.	B	Isolated β-bridge	trans	-150.1	78.1	-174.9	-65.2	-173.4	-177.1	173.1	0.5	112.3
1222	S	73.9	Confident	65.6	Low	24 Å²	24	71.6 Å²	71.6	17%	0.168	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	136.1	166	-66.8	0	0	0	0	110	I1134 L1135	I1134-S1222 CarbonylContact C-O 3.37Å; I1134-S1222 WeakPolarHBondContact CA-O 3.39Å; L1135-S1222 PolarHBondContact N-O 3.21Å
1223	F	81.5	Confident	63.4	Low	11 Å²	11	73.8 Å²	73.8	5%	0.048	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.3	175	-173.8	-93.6	0	0	0	109.9	L1135 V1200 L1203 R1212 V1213 L1225	L1135-F1223 HydrophobicContact CB-CD2 3.91Å; L1135-F1223 CarbonylContact O-C 3.56Å; L1135-F1223 VanDerWaalsContact O-CA 3.27Å; L1135-F1223 WeakPolarHBondContact O-CA 3.47Å; V1200-F1223 HydrophobicContact CG1-CE2 3.98Å; L1203-F1223 HydrophobicContact CD1-CE1 4.1Å; L1203-F1223 HydrophobicContact CD1-CZ 3.86Å; L1203-F1223 HydrophobicContact CD2-CE1 4.4Å; L1203-F1223 HydrophobicContact CD2-CZ 4.13Å; L1203-F1223 HydrophobicContact CG-CZ 4.21Å; R1212-F1223 HydrophobicContact CB-CB 4.34Å; R1212-F1223 HydrophobicContact CB-CD1 3.57Å; R1212-F1223 HydrophobicContact CB-CE1 3.99Å; R1212-F1223 HydrophobicContact CB-CG 3.91Å; V1213-F1223 HydrophobicContact CG2-CD1 3.85Å; V1213-F1223 HydrophobicContact CG2-CE1 4.44Å; F1223-L1225 HydrophobicContact CE1-CB 4.31Å
1224	A	80.2	Confident	61.3	Low	0 Å²	0	80.9 Å²	80.9	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.8	178.3	0	0	0	0	0	110	V1043 L1044 I1045 I1134 L1135 Y1136 S1137	V1043-A1224 HydrophobicContact CG1-CB 3.67Å; L1044-A1224 CarbonylContact O-C 3.56Å; L1044-A1224 VanDerWaalsContact O-CA 3.32Å; L1044-A1224 WeakPolarHBondContact O-CA 3.48Å; I1045-A1224 HydrophobicContact CD1-CB 4.15Å; I1045-A1224 HydrophobicContact CG1-CB 3.77Å; I1134-A1224 HydrophobicContact CG2-CB 3.55Å; L1135-A1224 PolarHBondContact O-N 2.88Å; Y1136-A1224 WeakPolarHBondContact CA-O 2.93Å; S1137-A1224 PolarHBondContact N-O 2.82Å
1225	L	78.8	Confident	59.3	Low	8 Å²	8	86 Å²	86	4%	0.042	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.4	178.4	168.1	67.4	0	0	0	109.3	V1043 L1044 V1139 L1203 Y1206 I1210 V1213 F1223	V1043-L1225 CarbonylContact C-O 3.34Å; L1044-L1225 HydrophobicContact CB-CB 4.13Å; L1044-L1225 WeakPolarHBondContact CB-O 3.24Å; L1044-L1225 HydrophobicContact CD2-CD2 4.19Å; L1044-L1225 PolarHBondContact N-O 3.19Å; L1044-L1225 PolarHBondContact O-N 3.34Å; V1139-L1225 HydrophobicContact CG2-CD1 4.31Å; L1203-L1225 HydrophobicContact CD1-CD1 3.37Å; Y1206-L1225 HydrophobicContact CD1-CD2 4.3Å; I1210-L1225 HydrophobicContact CG1-CD2 4.14Å; V1213-L1225 HydrophobicContact CG2-CB 3.75Å; F1223-L1225 HydrophobicContact CE1-CB 4.31Å
1226	I	78.7	Confident	57.3	Low	0 Å²	0	84.4 Å²	84.4	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.6	172.1	-54.9	172.8	0	0	0	108.1	M1041 V1043 Y1136 S1137 A1138 F1148 M1197	M1041-I1226 HydrophobicContact CB-CG2 4.39Å; M1041-I1226 HydrophobicContact SD-CG2 4.45Å; V1043-I1226 HydrophobicContact CG2-CG1 4.33Å; Y1136-I1226 HydrophobicContact CD2-CD1 3.8Å; Y1136-I1226 HydrophobicContact CG-CD1 4.4Å; S1137-I1226 PolarHBondContact O-N 3.15Å; A1138-I1226 HydrophobicContact CB-CB 4.44Å; F1148-I1226 HydrophobicContact CE2-CD1 4.26Å; F1148-I1226 HydrophobicContact CE2-CG2 3.92Å; F1148-I1226 HydrophobicContact CZ-CD1 4.42Å; F1148-I1226 HydrophobicContact CZ-CG2 4.46Å; M1197-I1226 HydrophobicContact SD-CD1 4.17Å
1227	G	71.4	Confident	55.4	Low	7 Å²	7	90.8 Å²	90.8	7%	0.072	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-162.3	-179.9	0	0	0	0	0	111.2	M1041 A1042	M1041-G1227 CarbonylContact C-O 3.6Å; M1041-G1227 WeakPolarHBondContact CA-O 3.3Å; A1042-G1227 PolarHBondContact N-O 3.09Å; A1042-G1227 CarbonylContact O-C 3.45Å; A1042-G1227 PolarHBondContact O-N 3.21Å
1228	K	63.2	Low	54.1	Low	86 Å²	86	94.3 Å²	94.3	37%	0.374	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	150.5	179.9	-58.3	-175.5	-174.5	158.4	0	113.1	E1020 E1144 Q1230	E1020-K1228 VanDerWaalsContact CG-NZ 3.33Å; E1020-K1228 WeakPolarHBondContact OE1-CE 3.44Å; E1020-K1228 IonicContact OE1-NZ 2.73Å; E1020-K1228 PolarHBondContact OE1-NZ 2.96Å; E1020-K1228 VanDerWaalsContact OE2-CE 3.25Å; E1020-K1228 WeakPolarHBondContact OE2-CE 3.21Å; E1020-K1228 IonicContact OE2-NZ 3.2Å; E1144-K1228 WeakPolarHBondContact OE1-CE 3.07Å; E1144-K1228 WeakPolarHBondContact OE1-CG 3.21Å; K1228-Q1230 PolarHBondContact O-N 3.44Å
1229	Q	57.6	Low	53.3	Low	73 Å²	73	95 Å²	95	34%	0.341	46%	0.464	S	S	.	.			trans	-77.3	109.8	160.8	-165.9	175.7	16.1	0	0	109.6	R1039 A1042 N1281	R1039-Q1229 WeakPolarHBondContact O-CB 3.33Å; R1039-Q1229 PolarHBondContact O-OE1 3.12Å; A1042-Q1229 HydrophobicContact CB-CB 3.9Å; A1042-Q1229 HydrophobicContact CB-CG 4.43Å; Q1229-N1281 PolarHBondContact OE1-ND2 3.28Å
1230	Q	51.9	Low	52.5	Low	131 Å²	131	91.8 Å²	91.8	61%	0.612	45%	0.45	S	S	*	.			trans	-72	129.9	166.8	-67.4	-111.5	-17.3	0	0	109	K1228	K1228-Q1230 PolarHBondContact O-N 3.44Å
1231	I	45.5	Very low	51.9	Low	54 Å²	54	94.3 Å²	94.3	28%	0.277	46%	0.457	S	S	.	.			trans	-104.7	144.1	-167.9	-65.8	172	0	0	0	112.5	E1037 R1039	E1037-I1231 WeakPolarHBondContact O-CD1 3.41Å; R1039-I1231 HydrophobicContact CB-CD1 3.51Å; R1039-I1231 HydrophobicContact CB-CG1 3.9Å; R1039-I1231 HydrophobicContact CG-CD1 3.35Å; R1039-I1231 HydrophobicContact CG-CG1 3.97Å
1232	G	35.1	Very low	51.6	Low	44 Å²	44	88.5 Å²	88.5	45%	0.454	44%	0.442	S	S	.	.			trans	-95.5	136.4	148.7	0	0	0	0	0	113.1	R1039	R1039-G1232 PolarHBondContact NH2-O 2.84Å
1233	W	33.8	Very low	51	Low	126 Å²	126	95.6 Å²	95.6	48%	0.477	47%	0.473	S	S	.	.			trans	-43.3	148.1	-166.6	-51.5	-97.4	0	0	0	120.3	E1249	W1233-E1249 VanDerWaalsContact CE2-OE2 3.23Å; W1233-E1249 HydrophobicContact CH2-CG 4.25Å; W1233-E1249 HydrophobicContact CZ2-CB 3.82Å; W1233-E1249 HydrophobicContact CZ2-CG 3.42Å; W1233-E1249 VanDerWaalsContact CZ2-CG 3.42Å; W1233-E1249 WeakPolarHBondContact CZ2-OE1 3.01Å; W1233-E1249 WeakPolarHBondContact CZ2-OE2 3.45Å; W1233-E1249 PolarHBondContact NE1-OE1 3.35Å; W1233-E1249 PolarHBondContact NE1-OE2 3.02Å
1234	L	29.2	Very low	50.3	Low	149 Å²	149	100 Å²	100	78%	0.78	49%	0.494	S	S	*	.				-175.8	135.2	128	-96.9	150.9	0	0	0	108.8
1235	K	30.1	Very low	49.4	Very low	163 Å²	163	101.4 Å²	101.4	71%	0.709	50%	0.501	S	S	*	.			trans	108.8	22.4	157.2	-122.4	164.6	-169.5	173.8	0	122.8	L1237	K1235-L1237 HydrophobicContact CG-CD1 4.38Å; K1235-L1237 PolarHBondContact O-N 3.3Å; K1235-L1237 VanDerWaalsContact O-N 3.11Å
1236	I	33.4	Very low	48.7	Very low	110 Å²	110	107.2 Å²	107.2	56%	0.564	53%	0.526	S	S	*	.			trans	-75	96.2	152.9	-60	172.4	0	0	0	107.8
1237	L	29.1	Very low	48.3	Very low	144 Å²	144	116 Å²	116	75%	0.754	56%	0.559	S	S	*	*			trans	-120.5	17.8	-170.1	-115.5	171.5	0	0	0	115.6	K1235	K1235-L1237 HydrophobicContact CG-CD1 4.38Å; K1235-L1237 PolarHBondContact O-N 3.3Å; K1235-L1237 VanDerWaalsContact O-N 3.11Å
1238	Q	37.3	Very low	48.2	Very low	195 Å²	195	116.7 Å²	116.7	91%	0.911	56%	0.561	S	S	*	*	S	Bend	trans	-137	-14.4	177.5	-125.7	169.6	-9.4	0	0	118.3
1239	L	37.9	Very low	48.2	Very low	160 Å²	160	113.7 Å²	113.7	84%	0.838	55%	0.548	S	S	*	.	S	Bend	trans	-120.4	-19.8	-178.3	-93.5	159.3	0	0	0	117.4
1240	M	38.2	Very low	48.6	Very low	98 Å²	98	116 Å²	116	48%	0.483	56%	0.559	S	S	.	*			trans	-140.2	79.4	179.5	-71.4	-148	-58.6	0	0	113	T1242 L1245	M1240-T1242 PolarHBondContact O-N 3.34Å; M1240-L1245 HydrophobicContact CE-CB 4.49Å; M1240-L1245 HydrophobicContact CE-CD1 3.73Å; M1240-L1245 HydrophobicContact CE-CD2 3.88Å; M1240-L1245 HydrophobicContact CE-CG 4.25Å
1241	Q	42.1	Very low	49.6	Very low	207 Å²	207	114.3 Å²	114.3	97%	0.967	55%	0.55	S	S	*	.			trans	-63.1	20.5	162.9	-122.9	176.8	3	0	0	113.4
1242	T	54.6	Low	50.8	Low	68 Å²	68	112.6 Å²	112.6	42%	0.417	54%	0.54	S	S	.	.			trans	-92.9	121.9	-174.8	54.9	0	0	0	0	110	M1240 E1244 L1245	M1240-T1242 PolarHBondContact O-N 3.34Å; T1242-E1244 PolarHBondContact O-N 2.95Å; T1242-L1245 PolarHBondContact O-N 3.19Å
1243	Q	62	Low	52	Low	174 Å²	174	113.5 Å²	113.5	81%	0.813	53%	0.53	S	S	*	.	H	α-helix	trans	-53.2	-16.6	167.8	-82.1	173.2	-50.6	0	0	112.9	R1247	Q1243-R1247 WeakPolarHBondContact O-CB 3.4Å; Q1243-R1247 PolarHBondContact O-N 3.03Å; Q1243-R1247 VanDerWaalsContact O-N 3.09Å
1244	E	65.9	Low	53	Low	103 Å²	103	110.1 Å²	110.1	48%	0.481	53%	0.529	S	S	.	.	H	α-helix	trans	-68.3	-40.7	-177.6	-62	-158.9	147.9	0	0	114.2	T1242 R1247 L1248	T1242-E1244 PolarHBondContact O-N 2.95Å; E1244-R1247 WeakPolarHBondContact O-CB 3.25Å; E1244-R1247 PolarHBondContact O-N 3.02Å; E1244-L1248 PolarHBondContact O-N 3.07Å
1245	L	61.9	Low	53.7	Low	30 Å²	30	110.8 Å²	110.8	16%	0.157	53%	0.525	C	S	.	.	H	α-helix	trans	-67.1	-43.9	-178.5	-155	79.7	0	0	0	111	L969 M1240 T1242 R1247 L1248 E1249	L969-L1245 HydrophobicContact CD1-CD1 3.96Å; M1240-L1245 HydrophobicContact CE-CB 4.49Å; M1240-L1245 HydrophobicContact CE-CD1 3.73Å; M1240-L1245 HydrophobicContact CE-CD2 3.88Å; M1240-L1245 HydrophobicContact CE-CG 4.25Å; T1242-L1245 PolarHBondContact O-N 3.19Å; L1245-R1247 VanDerWaalsContact C-N 3.29Å; L1245-R1247 PolarHBondContact O-N 3.42Å; L1245-L1248 PolarHBondContact O-N 3.28Å; L1245-E1249 PolarHBondContact O-N 3.43Å
1246	K	64.5	Low	54.4	Low	130 Å²	130	107.8 Å²	107.8	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-58	-40.9	171.3	-82.2	-172.9	173.8	-174	0	112.3	E1249 E1250	K1246-E1249 PolarHBondContact O-N 3.45Å; K1246-E1250 WeakPolarHBondContact O-CG 3.23Å; K1246-E1250 PolarHBondContact O-N 2.75Å
1247	R	70.6	Confident	54.7	Low	184 Å²	184	106.6 Å²	106.6	69%	0.694	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-39.9	177.9	-178	-176.2	177	-176.7	-0.2	112.1	Q1243 E1244 L1245 E1249 K1251	Q1243-R1247 WeakPolarHBondContact O-CB 3.4Å; Q1243-R1247 PolarHBondContact O-N 3.03Å; Q1243-R1247 VanDerWaalsContact O-N 3.09Å; E1244-R1247 WeakPolarHBondContact O-CB 3.25Å; E1244-R1247 PolarHBondContact O-N 3.02Å; L1245-R1247 VanDerWaalsContact C-N 3.29Å; L1245-R1247 PolarHBondContact O-N 3.42Å; R1247-E1249 VanDerWaalsContact C-N 3.33Å; R1247-K1251 VanDerWaalsContact O-CB 3.23Å; R1247-K1251 WeakPolarHBondContact O-CB 3.19Å; R1247-K1251 PolarHBondContact O-N 3Å
1248	L	68.3	Low	55	Low	21 Å²	21	104.9 Å²	104.9	11%	0.11	51%	0.514	C	S	.	.	H	α-helix	trans	-63.9	-41.1	174	-73	179.4	0	0	0	111	Y965 D968 L972 E1244 L1245 K1251 W1252	Y965-L1248 HydrophobicContact CD2-CB 4.11Å; Y965-L1248 HydrophobicContact CE2-CB 4.03Å; D968-L1248 HydrophobicContact CB-CD1 4.07Å; D968-L1248 HydrophobicContact CB-CD2 3.58Å; D968-L1248 HydrophobicContact CB-CG 4.48Å; D968-L1248 WeakPolarHBondContact OD2-CD2 3.2Å; L972-L1248 HydrophobicContact CD1-CD1 3.7Å; E1244-L1248 PolarHBondContact O-N 3.07Å; L1245-L1248 PolarHBondContact O-N 3.28Å; L1248-K1251 WeakPolarHBondContact O-CB 3.45Å; L1248-K1251 PolarHBondContact O-N 3.19Å; L1248-W1252 PolarHBondContact O-N 3.27Å
1249	E	63.4	Low	55	Low	24 Å²	24	99.6 Å²	99.6	11%	0.112	50%	0.495	C	S	.	.	H	α-helix	trans	-69.9	-43.7	-179.8	-157.2	173.8	156.7	0	0	112.7	W1233 L1245 K1246 R1247 K1251 W1252 W1253	W1233-E1249 VanDerWaalsContact CE2-OE2 3.23Å; W1233-E1249 HydrophobicContact CH2-CG 4.25Å; W1233-E1249 HydrophobicContact CZ2-CB 3.82Å; W1233-E1249 HydrophobicContact CZ2-CG 3.42Å; W1233-E1249 VanDerWaalsContact CZ2-CG 3.42Å; W1233-E1249 WeakPolarHBondContact CZ2-OE1 3.01Å; W1233-E1249 WeakPolarHBondContact CZ2-OE2 3.45Å; W1233-E1249 PolarHBondContact NE1-OE1 3.35Å; W1233-E1249 PolarHBondContact NE1-OE2 3.02Å; L1245-E1249 PolarHBondContact O-N 3.43Å; K1246-E1249 PolarHBondContact O-N 3.45Å; R1247-E1249 VanDerWaalsContact C-N 3.33Å; E1249-K1251 PolarHBondContact O-N 2.93Å; E1249-W1252 PolarHBondContact O-N 3.1Å; E1249-W1253 HydrophobicContact CB-CE3 4.11Å; E1249-W1253 HydrophobicContact CB-CZ3 4.25Å; E1249-W1253 HydrophobicContact CG-CD2 3.94Å; E1249-W1253 HydrophobicContact CG-CE3 3.41Å; E1249-W1253 VanDerWaalsContact CG-CE3 3.41Å; E1249-W1253 HydrophobicContact CG-CH2 4.42Å; E1249-W1253 HydrophobicContact CG-CZ3 3.68Å; E1249-W1253 WeakPolarHBondContact O-CB 3.37Å; E1249-W1253 PolarHBondContact O-N 3.24Å
1250	E	66.8	Low	54.7	Low	120 Å²	120	101.1 Å²	101.1	56%	0.561	50%	0.498	S	S	*	.	I	π-helix	trans	-59.1	-37.5	170.9	-74.1	176	-176.7	0	0	111.8	K1246 A1254 K1255	K1246-E1250 WeakPolarHBondContact O-CG 3.23Å; K1246-E1250 PolarHBondContact O-N 2.75Å; E1250-A1254 VanDerWaalsContact O-CB 3.25Å; E1250-A1254 WeakPolarHBondContact O-CB 3.38Å; E1250-A1254 PolarHBondContact O-N 3.28Å; E1250-K1255 PolarHBondContact O-N 2.83Å
1251	K	72.8	Confident	54.4	Low	97 Å²	97	102.4 Å²	102.4	42%	0.422	51%	0.507	S	S	.	.	I	π-helix	trans	-63.4	-43.2	176.3	176.6	-170.7	171.7	-166.5	0	112	D968 R1247 L1248 E1249	D968-K1251 IonicContact OD1-NZ 3.93Å; D968-K1251 IonicContact OD2-NZ 3.25Å; D968-K1251 PolarHBondContact OD2-NZ 3.27Å; R1247-K1251 VanDerWaalsContact O-CB 3.23Å; R1247-K1251 WeakPolarHBondContact O-CB 3.19Å; R1247-K1251 PolarHBondContact O-N 3Å; L1248-K1251 WeakPolarHBondContact O-CB 3.45Å; L1248-K1251 PolarHBondContact O-N 3.19Å; E1249-K1251 PolarHBondContact O-N 2.93Å
1252	W	69.7	Low	53.9	Low	18 Å²	18	97.7 Å²	97.7	7%	0.068	50%	0.496	C	S	.	.	I	π-helix	trans	-92.9	-32.6	-171.3	-73	110.6	0	0	0	114.2	P947 Q963 G964 D968 L1248 E1249	P947-W1252 HydrophobicContact CB-CB 4.35Å; P947-W1252 HydrophobicContact CB-CE3 4.45Å; Q963-W1252 HydrophobicContact CB-CH2 3.87Å; Q963-W1252 HydrophobicContact CB-CZ2 4.39Å; Q963-W1252 HydrophobicContact CG-CH2 3.7Å; Q963-W1252 HydrophobicContact CG-CZ3 4.41Å; G964-W1252 VanDerWaalsContact C-CE2 3.47Å; G964-W1252 VanDerWaalsContact CA-CH2 3.44Å; G964-W1252 VanDerWaalsContact N-CH2 3.33Å; G964-W1252 VanDerWaalsContact N-CZ2 3.3Å; D968-W1252 PolarHBondContact OD2-NE1 3.05Å; L1248-W1252 PolarHBondContact O-N 3.27Å; E1249-W1252 PolarHBondContact O-N 3.1Å
1253	W	60.7	Low	52.7	Low	63 Å²	63	101.9 Å²	101.9	24%	0.239	51%	0.511	C	S	.	.	I	π-helix	trans	-98.4	-43.5	-179.7	-75.5	-101.9	0	0	0	113.1	P947 F948 Y965 E1249	P947-W1253 HydrophobicContact CG-CD2 4.47Å; P947-W1253 HydrophobicContact CG-CZ2 4.05Å; F948-W1253 HydrophobicContact CE1-CH2 4.44Å; F948-W1253 HydrophobicContact CE1-CZ2 4.3Å; F948-W1253 HydrophobicContact CZ-CZ2 4.3Å; Y965-W1253 AromaticContact CD1-CH2 3.97Å; Y965-W1253 HydrophobicContact CD1-CH2 3.97Å; Y965-W1253 HydrophobicContact CD1-CZ3 4.44Å; Y965-W1253 AromaticContact CD2-CH2 3.94Å; Y965-W1253 HydrophobicContact CD2-CH2 3.94Å; Y965-W1253 AromaticContact CD2-CZ3 3.57Å; Y965-W1253 HydrophobicContact CD2-CZ3 3.57Å; Y965-W1253 HydrophobicContact CE1-CH2 4.4Å; Y965-W1253 HydrophobicContact CE2-CH2 4.37Å; Y965-W1253 HydrophobicContact CE2-CZ3 4.09Å; Y965-W1253 AromaticContact CG-CH2 3.7Å; Y965-W1253 HydrophobicContact CG-CH2 3.7Å; Y965-W1253 AromaticContact CG-CZ3 3.76Å; Y965-W1253 HydrophobicContact CG-CZ3 3.76Å; E1249-W1253 HydrophobicContact CB-CE3 4.11Å; E1249-W1253 HydrophobicContact CB-CZ3 4.25Å; E1249-W1253 HydrophobicContact CG-CD2 3.94Å; E1249-W1253 HydrophobicContact CG-CE3 3.41Å; E1249-W1253 VanDerWaalsContact CG-CE3 3.41Å; E1249-W1253 HydrophobicContact CG-CH2 4.42Å; E1249-W1253 HydrophobicContact CG-CZ3 3.68Å; E1249-W1253 WeakPolarHBondContact O-CB 3.37Å; E1249-W1253 PolarHBondContact O-N 3.24Å
1254	A	53.9	Low	51.1	Low	55 Å²	55	98.3 Å²	98.3	46%	0.455	50%	0.502	S	S	.	.	I	π-helix	trans	-76.9	-35.8	-173.4	0	0	0	0	0	113.7	E1250 K1256 A1257 T1258	E1250-A1254 VanDerWaalsContact O-CB 3.25Å; E1250-A1254 WeakPolarHBondContact O-CB 3.38Å; E1250-A1254 PolarHBondContact O-N 3.28Å; A1254-K1256 VanDerWaalsContact C-N 3.33Å; A1254-K1256 PolarHBondContact O-N 2.97Å; A1254-A1257 PolarHBondContact O-N 2.8Å; A1254-T1258 PolarHBondContact O-OG1 3.43Å
1255	K	45	Very low	49.4	Very low	162 Å²	162	100.1 Å²	100.1	70%	0.704	51%	0.514	S	S	*	.	H	α-helix	trans	-68.6	-25.1	178	-95.3	-174.5	172.6	-174	0	114.4	E1250 T1258	E1250-K1255 PolarHBondContact O-N 2.83Å; K1255-T1258 PolarHBondContact O-OG1 2.71Å
1256	K	44.7	Very low	48	Very low	100 Å²	100	105.3 Å²	105.3	44%	0.435	54%	0.542	S	S	.	.	H	α-helix	trans	-88.9	-15.6	176.8	-81.7	-169.7	178.2	-179	0	113.4	E950 A1254 T1258 V1259	E950-K1256 VanDerWaalsContact CD-NZ 3.27Å; E950-K1256 IonicContact OE1-NZ 3.89Å; E950-K1256 PolarHBondContact OE1-NZ 2.9Å; E950-K1256 IonicContact OE2-NZ 3.76Å; E950-K1256 PolarHBondContact OE2-NZ 2.98Å; A1254-K1256 VanDerWaalsContact C-N 3.33Å; A1254-K1256 PolarHBondContact O-N 2.97Å; K1256-T1258 PolarHBondContact O-N 3.19Å; K1256-V1259 VanDerWaalsContact O-CG2 3.23Å; K1256-V1259 WeakPolarHBondContact O-CG2 3.5Å
1257	A	40.2	Very low	46.4	Very low	86 Å²	86	106.8 Å²	106.8	71%	0.711	56%	0.556	S	S	*	*	H	α-helix	trans	-72.2	-17.5	172	0	0	0	0	0	113	A1254	A1254-A1257 PolarHBondContact O-N 2.8Å
1258	T	34.9	Very low	44.8	Very low	107 Å²	107	105.6 Å²	105.6	66%	0.656	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	36.7	-176	41.7	0	0	0	0	112.9	A1254 K1255 K1256 E1260	A1254-T1258 PolarHBondContact O-OG1 3.43Å; K1255-T1258 PolarHBondContact O-OG1 2.71Å; K1256-T1258 PolarHBondContact O-N 3.19Å; T1258-E1260 PolarHBondContact O-N 3.23Å
1259	V	36.6	Very low	43	Very low	85 Å²	85	110.8 Å²	110.8	52%	0.515	59%	0.59	S	S	.	*			trans	-72.7	102.2	-179.1	173.7	0	0	0	0	110.3	K1256 N1261	K1256-V1259 VanDerWaalsContact O-CG2 3.23Å; K1256-V1259 WeakPolarHBondContact O-CG2 3.5Å; V1259-N1261 HydrophobicContact CG1-CB 4.16Å; V1259-N1261 PolarHBondContact O-N 3.37Å
1260	E	32.7	Very low	41.5	Very low	192 Å²	192	118.4 Å²	118.4	90%	0.897	63%	0.626	S	S	*	*			trans	-66.3	3.5	169.1	-77.1	178.3	144.9	0	0	114.2	T1258	T1258-E1260 PolarHBondContact O-N 3.23Å
1261	N	32.1	Very low	39.8	Very low	124 Å²	124	117.3 Å²	117.3	66%	0.663	63%	0.631	S	S	*	*			trans	-120.8	51.4	-174.6	-72.6	-2.9	0	0	0	113.3	V1259 E1263	V1259-N1261 HydrophobicContact CG1-CB 4.16Å; V1259-N1261 PolarHBondContact O-N 3.37Å; N1261-E1263 PolarHBondContact O-N 2.91Å
1262	C	30.3	Very low	37.9	Very low	109 Å²	109	115.2 Å²	115.2	74%	0.736	63%	0.626	S	S	*	*			trans	-71.7	75.3	153.3	-71.5	0	0	0	0	107.9
1263	E	29.9	Very low	36.4	Very low	156 Å²	156	117 Å²	117	73%	0.729	64%	0.641	S	S	*	*			trans	-64.2	130.5	165.2	-78.7	-177.4	164.4	0	0	107.8	N1261 I1265	N1261-E1263 PolarHBondContact O-N 2.91Å; E1263-I1265 PolarHBondContact O-N 2.95Å
1264	P	27.7	Very low	35.2	Very low	98 Å²	98	122 Å²	122	64%	0.636	67%	0.669	S	S	*	*			trans	-63.1	106.9	178.4	24.7	-30.6	0	0	0	108.3	N1266	P1264-N1266 PolarHBondContact O-N 3.33Å
1265	I	31.8	Very low	34.5	Very low	142 Å²	142	127.1 Å²	127.1	73%	0.728	68%	0.684	S	S	*	*			trans	-63.9	106.9	165	-65	169.2	0	0	0	105.3	E1263	E1263-I1265 PolarHBondContact O-N 2.95Å
1266	N	31.3	Very low	34.2	Very low	138 Å²	138	120.7 Å²	120.7	74%	0.738	66%	0.656	S	S	*	*			trans	34.3	119.7	166.5	-107.4	-1.7	0	0	0	116.2	P1264 D1268 I1269	P1264-N1266 PolarHBondContact O-N 3.33Å; N1266-D1268 PolarHBondContact O-N 2.98Å; N1266-I1269 PolarHBondContact O-N 3.38Å
1267	D	31.8	Very low	34.2	Very low	162 Å²	162	117.7 Å²	117.7	87%	0.866	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.8	6.2	-175.1	-70.9	-32.9	0	0	0	119.7
1268	D	35.6	Very low	34.3	Very low	159 Å²	159	117.8 Å²	117.8	85%	0.85	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-2.9	177	-65.1	-32.8	0	0	0	114.5	N1266	N1266-D1268 PolarHBondContact O-N 2.98Å
1269	I	30.9	Very low	34.6	Very low	130 Å²	130	114.6 Å²	114.6	67%	0.667	62%	0.616	S	S	*	*	S	Bend	trans	-129.8	102.1	174.6	-52.1	176.5	0	0	0	108.7	N1266 S1271	N1266-I1269 PolarHBondContact O-N 3.38Å; I1269-S1271 PolarHBondContact O-N 2.7Å
1270	E	31.5	Very low	35.1	Very low	184 Å²	184	111.2 Å²	111.2	86%	0.86	60%	0.595	S	S	*	*			trans	-47.6	116.4	173	-74.7	180	158.4	0	0	109.7	V1272	E1270-V1272 PolarHBondContact O-N 3.01Å
1271	S	30.9	Very low	35.6	Very low	96 Å²	96	104.8 Å²	104.8	67%	0.671	57%	0.566	S	S	*	*			trans	-65.9	94.2	-179	56.2	0	0	0	0	109.9	I1269 S1273	I1269-S1271 PolarHBondContact O-N 2.7Å; S1271-S1273 PolarHBondContact O-N 2.87Å
1272	V	34.2	Very low	36.3	Very low	54 Å²	54	99 Å²	99	33%	0.327	54%	0.535	S	S	.	.			trans	-74.9	115.6	174.1	169.7	0	0	0	0	109.2	L1214 E1270 E1276	L1214-V1272 HydrophobicContact CD2-CB 4.24Å; L1214-V1272 HydrophobicContact CD2-CG1 3.64Å; E1270-V1272 PolarHBondContact O-N 3.01Å; V1272-E1276 HydrophobicContact CG1-CB 3.93Å; V1272-E1276 HydrophobicContact CG1-CG 4.1Å; V1272-E1276 WeakPolarHBondContact CG1-OE2 3.45Å
1273	S	37.4	Very low	36.9	Very low	55 Å²	55	95.7 Å²	95.7	39%	0.385	52%	0.52	S	S	.	.			trans	-67.6	143.8	175.7	53.3	0	0	0	0	111.6	S1271 E1275 E1276	S1271-S1273 PolarHBondContact O-N 2.87Å; S1273-E1275 PolarHBondContact O-N 3.1Å; S1273-E1276 WeakPolarHBondContact O-CB 3.27Å; S1273-E1276 PolarHBondContact O-N 3.14Å
1274	M	36.6	Very low	36.9	Very low	168 Å²	168	92 Å²	92	83%	0.828	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-55.4	-14.7	172.4	-95.6	-109.3	-74.5	0	0	114.3	E1276 I1277	M1274-E1276 PolarHBondContact O-N 2.96Å; M1274-I1277 HydrophobicContact SD-CD1 4.33Å
1275	E	39.7	Very low	37	Very low	162 Å²	162	90.2 Å²	90.2	76%	0.757	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-67	-3.3	169.6	-64.4	-170.9	165.3	0	0	113.7	Q1047 S1273	Q1047-E1275 VanDerWaalsContact CD-O 3.28Å; Q1047-E1275 PolarHBondContact NE2-O 3.14Å; Q1047-E1275 PolarHBondContact OE1-O 3.36Å; S1273-E1275 PolarHBondContact O-N 3.1Å
1276	E	38.5	Very low	36.7	Very low	27 Å²	27	92.4 Å²	92.4	13%	0.126	53%	0.527	C	S	.	.	G	3₁₀ helix	trans	-99.8	33.1	176	-59.8	-166.3	170.3	0	0	113.4	K1046 Q1047 Q1049 V1272 S1273 M1274	K1046-E1276 CarbonylContact C-O 3.5Å; Q1047-E1276 WeakPolarHBondContact CA-O 3.43Å; Q1047-E1276 HydrophobicContact CB-CB 4.45Å; Q1047-E1276 WeakPolarHBondContact CB-O 3.35Å; Q1047-E1276 PolarHBondContact N-O 2.99Å; Q1049-E1276 PolarHBondContact NE2-OE1 3.49Å; V1272-E1276 HydrophobicContact CG1-CB 3.93Å; V1272-E1276 HydrophobicContact CG1-CG 4.1Å; V1272-E1276 WeakPolarHBondContact CG1-OE2 3.45Å; S1273-E1276 WeakPolarHBondContact O-CB 3.27Å; S1273-E1276 PolarHBondContact O-N 3.14Å; M1274-E1276 PolarHBondContact O-N 2.96Å
1277	I	42.9	Very low	36.3	Very low	38 Å²	38	89 Å²	89	20%	0.195	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.4	-178.5	-54.5	179.4	0	0	0	112.1	L1044 M1274	L1044-I1277 HydrophobicContact CD1-CG2 3.43Å; L1044-I1277 VanDerWaalsContact CD1-CG2 3.43Å; L1044-I1277 HydrophobicContact CD2-CG2 3.85Å; L1044-I1277 HydrophobicContact CG-CG2 3.35Å; M1274-I1277 HydrophobicContact SD-CD1 4.33Å
1278	Y	42.2	Very low	36.1	Very low	87 Å²	87	87.3 Å²	87.3	34%	0.341	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.3	178.1	-177.7	-97.1	0	0	0	111.6	I1045	I1045-Y1278 PolarHBondContact N-O 2.79Å; I1045-Y1278 PolarHBondContact O-N 3.29Å
1279	G	42.6	Very low	35.5	Very low	41 Å²	41	89.2 Å²	89.2	42%	0.423	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	156.8	167.8	0	0	0	0	0	117.1	V1043	V1043-G1279 WeakPolarHBondContact O-CA 3.23Å
1280	F	46.1	Very low	35.7	Very low	14 Å²	14	87.2 Å²	87.2	6%	0.061	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.8	-179.7	70.7	-88	0	0	0	112	A1042 V1043 I1045 L1122 E1123 L1128 I1282	A1042-F1280 CarbonylContact C-O 3.47Å; A1042-F1280 WeakPolarHBondContact CA-O 3.47Å; V1043-F1280 HydrophobicContact CB-CD1 3.92Å; V1043-F1280 HydrophobicContact CB-CE1 3.49Å; V1043-F1280 VanDerWaalsContact CB-CE1 3.49Å; V1043-F1280 HydrophobicContact CB-CE2 4.48Å; V1043-F1280 HydrophobicContact CB-CZ 3.82Å; V1043-F1280 HydrophobicContact CG1-CE1 3.89Å; V1043-F1280 HydrophobicContact CG1-CZ 4.32Å; V1043-F1280 HydrophobicContact CG2-CD1 4.35Å; V1043-F1280 HydrophobicContact CG2-CD2 4.48Å; V1043-F1280 HydrophobicContact CG2-CE1 3.71Å; V1043-F1280 HydrophobicContact CG2-CE2 3.87Å; V1043-F1280 HydrophobicContact CG2-CZ 3.45Å; V1043-F1280 VanDerWaalsContact CG2-CZ 3.45Å; V1043-F1280 PolarHBondContact N-O 2.96Å; V1043-F1280 PolarHBondContact O-N 3.28Å; I1045-F1280 HydrophobicContact CD1-CE1 4.31Å; L1122-F1280 HydrophobicContact CB-CD1 3.93Å; L1122-F1280 HydrophobicContact CB-CE1 3.5Å; L1122-F1280 VanDerWaalsContact CB-CE1 3.5Å; L1122-F1280 HydrophobicContact CB-CZ 4.09Å; L1122-F1280 HydrophobicContact CG-CE1 4.48Å; L1122-F1280 WeakPolarHBondContact O-CD1 3.48Å; L1122-F1280 VanDerWaalsContact O-CG 3.26Å; L1122-F1280 WeakPolarHBondContact O-CG 3.36Å; E1123-F1280 VanDerWaalsContact O-CD2 3.24Å; E1123-F1280 WeakPolarHBondContact O-CD2 3.33Å; L1128-F1280 HydrophobicContact CB-CZ 4.5Å; F1280-I1282 HydrophobicContact CD2-CG1 4.46Å; F1280-I1282 HydrophobicContact CE2-CD1 4.42Å; F1280-I1282 HydrophobicContact CE2-CG1 3.87Å
1281	N	43.5	Very low	36	Very low	56 Å²	56	82.1 Å²	82.1	30%	0.299	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.1	-173.3	-166.1	-36.4	0	0	0	112.7	R1039 M1041 Q1229	R1039-N1281 PolarHBondContact O-ND2 3.1Å; M1041-N1281 CarbonylContact O-C 3.09Å; M1041-N1281 VanDerWaalsContact O-CA 3.24Å; M1041-N1281 WeakPolarHBondContact O-CA 3.48Å; M1041-N1281 PolarHBondContact O-OD1 3.06Å; Q1229-N1281 PolarHBondContact OE1-ND2 3.28Å
1282	I	47.8	Very low	36.2	Very low	4 Å²	4	81.3 Å²	81.3	2%	0.021	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	116	168.6	-61.8	166.3	0	0	0	108.3	M1041 V1043 L1125 L1128 F1280	M1041-I1282 HydrophobicContact CB-CB 4.4Å; M1041-I1282 HydrophobicContact CE-CG2 4.16Å; M1041-I1282 PolarHBondContact N-O 3.25Å; M1041-I1282 VanDerWaalsContact N-O 3.15Å; M1041-I1282 PolarHBondContact O-N 2.79Å; V1043-I1282 HydrophobicContact CG2-CD1 3.24Å; V1043-I1282 HydrophobicContact CG2-CG1 3.92Å; L1125-I1282 HydrophobicContact CB-CG1 4.36Å; L1125-I1282 HydrophobicContact CB-CG2 4.08Å; L1125-I1282 HydrophobicContact CD1-CD1 4Å; L1125-I1282 HydrophobicContact CD1-CG1 4.42Å; L1125-I1282 HydrophobicContact CD1-CG2 4.23Å; L1125-I1282 HydrophobicContact CD2-CG2 3.96Å; L1125-I1282 HydrophobicContact CG-CG2 4.32Å; L1128-I1282 HydrophobicContact CD2-CD1 4.46Å; F1280-I1282 HydrophobicContact CD2-CG1 4.46Å; F1280-I1282 HydrophobicContact CE2-CD1 4.42Å; F1280-I1282 HydrophobicContact CE2-CG1 3.87Å
1283	G	41.2	Very low	36.4	Very low	39 Å²	39	82.9 Å²	82.9	40%	0.402	49%	0.494	S	S	.	.			trans	79.9	93.8	167.5	0	0	0	0	0	113.7	G1040 G1285	G1040-G1283 WeakPolarHBondContact CA-O 3.42Å; G1283-G1285 VanDerWaalsContact C-N 3.26Å; G1283-G1285 PolarHBondContact O-N 2.96Å; G1283-G1285 VanDerWaalsContact O-N 3.13Å
1284	G	31.7	Very low	36.3	Very low	77 Å²	77	84.6 Å²	84.6	79%	0.794	50%	0.501	S	S	*	.			trans	-81.9	71.8	162	0	0	0	0	0	110.2	K1286	G1284-K1286 PolarHBondContact O-N 3.09Å
1285	G	28.3	Very low	36.3	Very low	61 Å²	61	79.1 Å²	79.1	63%	0.629	48%	0.479	S	S	*	.			trans	-59.8	124.8	157.3	0	0	0	0	0	106.7	G1283 G1287	G1283-G1285 VanDerWaalsContact C-N 3.26Å; G1283-G1285 PolarHBondContact O-N 2.96Å; G1283-G1285 VanDerWaalsContact O-N 3.13Å; G1285-G1287 PolarHBondContact O-N 3.45Å
1286	K	25.7	Very low	36	Very low	188 Å²	188	73.1 Å²	73.1	82%	0.817	46%	0.459	S	S	*	.			trans	-54.1	114	165.8	-77.4	178.9	177.5	174	0	105.3	G1284 I1288	G1284-K1286 PolarHBondContact O-N 3.09Å; K1286-I1288 PolarHBondContact O-N 3.12Å
1287	G	23.4	Very low	35.9	Very low	68 Å²	68	76.7 Å²	76.7	70%	0.701	49%	0.485	S	S	*	.			trans	-54	111.5	169.7	0	0	0	0	0	107.1	G1285	G1285-G1287 PolarHBondContact O-N 3.45Å
1288	I	27.2	Very low	35.3	Very low	126 Å²	126	79.9 Å²	79.9	65%	0.646	51%	0.509	S	S	*	.			trans	-101.8	107.5	171.4	-64.2	172.6	0	0	0	104.8	K1286	K1286-I1288 PolarHBondContact O-N 3.12Å
1289	M	23.7	Very low	34.6	Very low	198 Å²	198	79.3 Å²	79.3	98%	0.975	52%	0.524	S	S	*	.			trans	15.2	0	166.1	-69	-165.7	-161.3	0	0	120.3	P1034	P1034-M1289 WeakPolarHBondContact CD-OXT 3.48Å; P1034-M1289 VanDerWaalsContact CG-OXT 3.3Å; P1034-M1289 WeakPolarHBondContact CG-OXT 3.46Å

Retrieved 1,289 of 1,289 residues in 442.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).