A0A087XZW1_POEFO Loading...

Transforming growth factor, beta receptor associated protein 1

AlphaFold DB , UniProt , Accession A0A087XZW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 874 aa.

						>A0A087XZW1_POEFO|A0A087XZW1
MSVKAFELVPAVERDLLMGDKARINIECIECCGKHLYVGTNDCFIHHFLLDEVASSKGKLSYSTQKLLHKYLGLKKPVAELRAASALERLIVLCDGMVFLVDMVTLESVPSAAGGGAKIRGVTAFCVNENPVNGDPFCVEMGVLSSKRRTVQVYMVYEDRVQLVKEVNTPEQPCAVSIDGYFLCLALTTQYVILNYNTGASQELFPYNSEERRPIVKRISREEFLLAAPGGLGMFANSEGASQRAPVNWSESVIAAAVCFPYVVALDENFVTIHSMLDQQLKQTLSFRDGRLLQDFEGKVMLASTKSVYVLVPLPLERQIQDLLAGHRVEEALVLTEGAQRNIPKDKFQILHRRILQQAGFIKFGQLQFLEAKEHFRKGELDVRELISLYPLLLPASSSFMRCHPPLHEFADLNHLAQGDQEKVLRCKKFLISYLGEVRSTDVVNGCRDDVDTALLKLYAEQDHDSLLDLLASDNSCVLTDSVPWLEKYHKYFALGLLYHFNGQDAAALKLWIRIVDGELQDSTRSDLYEYIVDFLCCSSSMEIVWKYADWALQKDPTTGIRIFTKRPVGKDRSEVNPDEVIAYLGKHSQALLLYLEHLVLERKMQKEKFHTHLVVLYLDRVRLLLSESPTDEGQLTRAREKLQAMLRESNLYRVQFVLGKMESCDKLLLERATLHGKLEEHDKALHILVHKLRDFPSAEAFCIWASSSRDPAYRQRLFHLLLGVYLDGSPPGKGQAAGGGEMEMAAVDLLNRHGEVFDAVRVLRMLPESWSLQLLRPFLNRAIRASMHAGRTSQIALGLARSENVQLLHDRLKERRKPIVVSEKKGCHLCHNTFSEPSVVCLPGGVPVHVHCAAQRVRDSPTKRQLANSGNHT
					

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(Predicted Aligned Error values between residue pairs)

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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	47.6	Very low	81.9	Confident	228 Å²	228	51.1 Å²	51.1	100%	1.123	27%	0.274	S	S	*	.				0	127	0	-76.6	-100.3	-91.8	0	0	107.4
2	S	62.4	Low	82.5	Confident	77 Å²	77	46.8 Å²	46.8	54%	0.538	25%	0.251	S	S	.	.			trans	-72.9	142.4	-178.8	63.4	0	0	0	0	109.2	K4 K282	S2-K4 PolarHBondContact O-N 3.44Å; S2-K282 CarbonylContact C-O 3.53Å; S2-K282 WeakPolarHBondContact CB-O 3.41Å
3	V	74.7	Confident	82.7	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	27%	0.27	C	S	.	.			trans	-69.5	124.8	-174.5	-179.6	0	0	0	0	108.3	A5 K282 Q319 L323	V3-A5 PolarHBondContact O-N 3.13Å; V3-A5 VanDerWaalsContact O-N 3.14Å; V3-K282 PolarHBondContact N-O 2.83Å; V3-K282 VanDerWaalsContact N-O 3.11Å; V3-Q319 HydrophobicContact CG1-CB 4.32Å; V3-L323 HydrophobicContact CG1-CD1 4.49Å; V3-L323 HydrophobicContact CG1-CG 4.23Å; V3-L323 HydrophobicContact CG2-CD1 4.21Å; V3-L323 HydrophobicContact CG2-CD2 3.21Å; V3-L323 HydrophobicContact CG2-CG 3.51Å
4	K	85.8	Confident	82.7	Confident	91 Å²	91	52 Å²	52	40%	0.396	27%	0.267	S	S	.	.			trans	-74.4	108.6	175.3	-159.2	-177.2	176.3	-173	0	108.2	S2 F6 L314	S2-K4 PolarHBondContact O-N 3.44Å; K4-F6 WeakPolarHBondContact CE-O 3.32Å; K4-L314 HydrophobicContact CB-CD1 3.8Å; K4-L314 HydrophobicContact CD-CD1 3.84Å; K4-L314 HydrophobicContact CG-CD1 3.6Å; K4-L314 WeakPolarHBondContact O-CD1 3.33Å
5	A	86.7	Confident	82.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	29%	0.292	C	S	.	.			trans	-94.5	-34.2	178.1	0	0	0	0	0	111.9	V3 Y262 I273 L314	V3-A5 PolarHBondContact O-N 3.13Å; V3-A5 VanDerWaalsContact O-N 3.14Å; A5-Y262 HydrophobicContact CB-CD1 4.45Å; A5-Y262 HydrophobicContact CB-CD2 4.37Å; A5-Y262 HydrophobicContact CB-CE1 4.11Å; A5-Y262 HydrophobicContact CB-CE2 4.03Å; A5-I273 HydrophobicContact CB-CG2 4.19Å; A5-L314 PolarHBondContact O-N 3.37Å
6	F	90.8	Very high	82.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.2	-177.3	-65	-91.4	0	0	0	112.5	K4 C259 Y262 V264 I273 Q283 L311 V312 P313	K4-F6 WeakPolarHBondContact CE-O 3.32Å; F6-C259 HydrophobicContact CE1-CB 4.25Å; F6-C259 HydrophobicContact CZ-CB 3.92Å; F6-Y262 AromaticContact CE2-CD2 3.64Å; F6-Y262 HydrophobicContact CE2-CD2 3.64Å; F6-Y262 HydrophobicContact CE2-CE2 4.48Å; F6-Y262 AromaticContact CE2-CG 3.84Å; F6-Y262 HydrophobicContact CE2-CG 3.84Å; F6-Y262 AromaticContact CZ-CD2 3.88Å; F6-Y262 HydrophobicContact CZ-CD2 3.88Å; F6-Y262 HydrophobicContact CZ-CG 4.36Å; F6-V264 HydrophobicContact CE2-CG2 4.38Å; F6-I273 HydrophobicContact CB-CD1 4.49Å; F6-I273 HydrophobicContact CD2-CB 4.47Å; F6-I273 HydrophobicContact CD2-CD1 4.14Å; F6-I273 HydrophobicContact CD2-CG1 3.88Å; F6-I273 HydrophobicContact CD2-CG2 3.82Å; F6-I273 HydrophobicContact CE2-CG1 4.38Å; F6-I273 HydrophobicContact CE2-CG2 3.7Å; F6-Q283 PolarHBondContact O-NE2 3.21Å; F6-Q283 PolarHBondContact O-OE1 3.4Å; F6-L311 HydrophobicContact CB-CB 4.33Å; F6-L311 HydrophobicContact CB-CD2 4.09Å; F6-L311 HydrophobicContact CD1-CB 3.84Å; F6-L311 HydrophobicContact CG-CB 4.3Å; F6-V312 WeakPolarHBondContact CA-O 3.22Å; F6-P313 HydrophobicContact CD1-CB 4.08Å; F6-P313 HydrophobicContact CE1-CB 3.76Å; F6-P313 HydrophobicContact CE1-CG 4.49Å; F6-P313 HydrophobicContact CZ-CB 4.5Å
7	E	90.1	Very high	81.6	Confident	36 Å²	36	54.4 Å²	54.4	17%	0.168	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.6	164.3	-170.5	166.9	-170.6	0	0	109.9	V9 K59 V312	E7-V9 HydrophobicContact CG-CG2 4.28Å; E7-K59 WeakPolarHBondContact OE1-CE 3.36Å; E7-K59 IonicContact OE1-NZ 2.74Å; E7-K59 PolarHBondContact OE1-NZ 2.89Å; E7-V312 PolarHBondContact N-O 3.41Å; E7-V312 PolarHBondContact O-N 3.29Å
8	L	91.1	Very high	80.9	Confident	47 Å²	47	52.1 Å²	52.1	25%	0.246	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.8	175.3	-174.6	69.4	0	0	0	109.3	L285 F287 L302 Y309 L311	L8-L285 HydrophobicContact CB-CD1 4.39Å; L8-F287 HydrophobicContact CD2-CD2 3.85Å; L8-F287 HydrophobicContact CD2-CE2 4.38Å; L8-L302 HydrophobicContact CD1-CD1 3.41Å; L8-L302 VanDerWaalsContact CD1-CD1 3.41Å; L8-Y309 HydrophobicContact CD1-CD1 4.41Å; L8-Y309 HydrophobicContact CD1-CG 4.2Å; L8-Y309 HydrophobicContact CD2-CD1 4.46Å; L8-Y309 HydrophobicContact CG-CD1 4.2Å; L8-Y309 HydrophobicContact CG-CG 4.48Å; L8-L311 HydrophobicContact CB-CD2 4.26Å; L8-L311 HydrophobicContact CD1-CD2 3.78Å; L8-L311 HydrophobicContact CD1-CG 4.35Å
9	V	91.4	Very high	80.2	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.9	-177.6	-177.1	0	0	0	0	109.4	E7 A11 Y62 Y309 V310 V312	E7-V9 HydrophobicContact CG-CG2 4.28Å; V9-A11 PolarHBondContact O-N 2.95Å; V9-Y62 HydrophobicContact CB-CD2 4.44Å; V9-Y62 HydrophobicContact CG1-CD2 3.92Å; V9-Y309 CarbonylContact O-C 3.58Å; V9-Y309 VanDerWaalsContact O-CA 3.28Å; V9-Y309 WeakPolarHBondContact O-CA 3.37Å; V9-V310 PolarHBondContact N-O 2.61Å; V9-V310 PolarHBondContact O-N 2.61Å; V9-V312 HydrophobicContact CB-CG2 4.23Å; V9-V312 HydrophobicContact CG2-CB 4.43Å; V9-V312 HydrophobicContact CG2-CG2 3.79Å
10	P	90	Very high	79.1	Confident	59 Å²	59	57 Å²	57	38%	0.383	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	133.4	172.6	27.9	-32.6	0	0	0	110	Y309	P10-Y309 HydrophobicContact CB-CD1 3.92Å; P10-Y309 HydrophobicContact CB-CE1 3.91Å
11	A	90	Very high	78.5	Confident	6 Å²	6	60.9 Å²	60.9	5%	0.05	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-52.9	175.4	0	0	0	0	0	111.1	V9 L50 Y62 T64 V308 V310	V9-A11 PolarHBondContact O-N 2.95Å; A11-L50 HydrophobicContact CB-CD2 4.23Å; A11-Y62 HydrophobicContact CB-CG 4.45Å; A11-T64 WeakPolarHBondContact O-CB 3.26Å; A11-T64 PolarHBondContact O-OG1 3.1Å; A11-V308 PolarHBondContact N-O 3.25Å; A11-V310 HydrophobicContact CB-CG2 3.79Å
12	V	89.1	Confident	79.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.6	177.9	-164.2	0	0	0	0	109.7	L16 L17 L36 F48 L50 T64 S307 V308	V12-L16 HydrophobicContact CG1-CB 4.22Å; V12-L17 HydrophobicContact CB-CD1 4Å; V12-L17 HydrophobicContact CG1-CD1 3.45Å; V12-L17 VanDerWaalsContact CG1-CD1 3.45Å; V12-L17 HydrophobicContact CG1-CG 3.64Å; V12-L36 HydrophobicContact CG2-CD2 3.38Å; V12-F48 HydrophobicContact CG1-CD1 4.36Å; V12-F48 HydrophobicContact CG1-CE1 3.98Å; V12-F48 HydrophobicContact CG1-CE2 4.24Å; V12-F48 HydrophobicContact CG1-CZ 3.93Å; V12-L50 HydrophobicContact CG2-CD2 4.37Å; V12-T64 HydrophobicContact CG1-CG2 4.44Å; V12-T64 HydrophobicContact CG2-CG2 3.93Å; V12-S307 CarbonylContact O-C 3.33Å; V12-S307 VanDerWaalsContact O-CA 3.27Å; V12-S307 WeakPolarHBondContact O-CA 3.48Å; V12-S307 VanDerWaalsContact O-CB 3.25Å; V12-S307 WeakPolarHBondContact O-CB 3.3Å; V12-V308 HydrophobicContact CB-CB 4.12Å; V12-V308 HydrophobicContact CB-CG2 4.36Å; V12-V308 HydrophobicContact CG2-CB 4.23Å; V12-V308 PolarHBondContact N-O 2.77Å; V12-V308 PolarHBondContact O-N 3Å
13	E	85.7	Confident	79.9	Confident	107 Å²	107	60.9 Å²	60.9	50%	0.5	31%	0.312	S	S	.	.			trans	-82.8	161.4	175.6	-63.4	-173.5	172.7	0	0	111.5	D15 L16 L17	E13-D15 PolarHBondContact O-N 3.28Å; E13-L16 PolarHBondContact O-N 2.99Å; E13-L17 PolarHBondContact O-N 2.86Å
14	R	81.8	Confident	80.4	Confident	59 Å²	59	61.1 Å²	61.1	22%	0.223	31%	0.313	C	S	.	.	H	α-helix	trans	-54.7	-40.2	-176.6	175.5	174.5	178.1	80.7	12.7	112.7	L16 L17 M18 K21 K306	R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 3.06Å; R14-L17 PolarHBondContact O-N 3.43Å; R14-M18 HydrophobicContact CG-CE 4.28Å; R14-M18 PolarHBondContact O-N 3.06Å; R14-K21 PolarHBondContact NH2-O 3.3Å; R14-K21 VanDerWaalsContact NH2-O 3.16Å; R14-K306 WeakPolarHBondContact CA-O 3.27Å; R14-K306 HydrophobicContact CB-CB 4.49Å; R14-K306 VanDerWaalsContact NH1-CG 3.34Å
15	D	77.6	Confident	80.5	Confident	120 Å²	120	59.3 Å²	59.3	64%	0.642	31%	0.307	S	S	*	.	H	α-helix	trans	-64.8	-37.7	-172.5	-61.2	-12.8	0	0	0	111.8	E13 G19	E13-D15 PolarHBondContact O-N 3.28Å; D15-G19 PolarHBondContact O-N 3.24Å
16	L	78.1	Confident	80.8	Confident	71 Å²	71	59.6 Å²	59.6	37%	0.372	31%	0.309	S	S	.	.	H	α-helix	trans	-70.4	-33.6	176.6	-78.8	144.2	0	0	0	112.8	V12 E13 R14 F48 K66	V12-L16 HydrophobicContact CG1-CB 4.22Å; E13-L16 PolarHBondContact O-N 2.99Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 3.06Å; L16-F48 HydrophobicContact CB-CE1 4.42Å; L16-K66 PolarHBondContact O-NZ 2.89Å
17	L	73.8	Confident	80.9	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-78.6	-54.2	-179.8	-90.4	150.3	0	0	0	112.3	V12 E13 R14 I26 V38 H46 F48	V12-L17 HydrophobicContact CB-CD1 4Å; V12-L17 HydrophobicContact CG1-CD1 3.45Å; V12-L17 VanDerWaalsContact CG1-CD1 3.45Å; V12-L17 HydrophobicContact CG1-CG 3.64Å; E13-L17 PolarHBondContact O-N 2.86Å; R14-L17 PolarHBondContact O-N 3.43Å; L17-I26 HydrophobicContact CD1-CD1 3.83Å; L17-I26 HydrophobicContact CD1-CG1 4.44Å; L17-V38 HydrophobicContact CD2-CB 4.06Å; L17-V38 HydrophobicContact CD2-CG1 3.78Å; L17-V38 HydrophobicContact CD2-CG2 4.34Å; L17-H46 HydrophobicContact CD2-CB 4.48Å; L17-H46 PolarHBondContact O-CE1 2.61Å; L17-F48 HydrophobicContact CD2-CE2 3.78Å; L17-F48 HydrophobicContact CD2-CZ 3.81Å; L17-F48 HydrophobicContact CG-CE2 4.16Å; L17-F48 HydrophobicContact CG-CZ 3.81Å
18	M	68.9	Low	81	Confident	13 Å²	13	61.8 Å²	61.8	6%	0.064	32%	0.32	C	S	.	.	H	α-helix	trans	-123.2	-12	-159.2	-53.4	-169.6	-123.1	0	0	115.4	R14 D20 K21 I24 K306	R14-M18 HydrophobicContact CG-CE 4.28Å; R14-M18 PolarHBondContact O-N 3.06Å; M18-D20 PolarHBondContact O-N 3.1Å; M18-K21 PolarHBondContact O-N 2.99Å; M18-I24 HydrophobicContact CG-CB 4.08Å; M18-I24 HydrophobicContact CG-CG2 4.04Å; M18-I24 VanDerWaalsContact SD-C 3.53Å; M18-I24 HydrophobicContact SD-CB 3.54Å; M18-I24 VanDerWaalsContact SD-CB 3.54Å; M18-I24 HydrophobicContact SD-CG2 3.83Å; M18-K306 VanDerWaalsContact CE-CA 3.45Å; M18-K306 HydrophobicContact CE-CB 3.97Å; M18-K306 HydrophobicContact CE-CG 4.18Å
19	G	67.5	Low	81.2	Confident	34 Å²	34	59.6 Å²	59.6	35%	0.351	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	-135.5	-164.9	0	0	0	0	0	111.5	D15 K21	D15-G19 PolarHBondContact O-N 3.24Å; G19-K21 VanDerWaalsContact C-N 3.31Å; G19-K21 PolarHBondContact O-N 2.79Å
20	D	59.2	Low	81.4	Confident	169 Å²	169	60 Å²	60	90%	0.904	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	2	-179	-71.5	-26.8	0	0	0	115.4	M18 A22	M18-D20 PolarHBondContact O-N 3.1Å; D20-A22 PolarHBondContact O-N 2.87Å
21	K	66.5	Low	81.5	Confident	138 Å²	138	57.4 Å²	57.4	60%	0.6	29%	0.293	S	S	*	.			trans	-74.3	101.7	-175.9	-67.5	-176.9	-178.6	177.7	0	111.2	R14 M18 G19 R23 I24	R14-K21 PolarHBondContact NH2-O 3.3Å; R14-K21 VanDerWaalsContact NH2-O 3.16Å; M18-K21 PolarHBondContact O-N 2.99Å; G19-K21 VanDerWaalsContact C-N 3.31Å; G19-K21 PolarHBondContact O-N 2.79Å; K21-R23 VanDerWaalsContact C-N 3.28Å; K21-R23 PolarHBondContact O-N 2.74Å; K21-I24 HydrophobicContact CB-CD1 3.8Å; K21-I24 HydrophobicContact CB-CG1 4.26Å; K21-I24 HydrophobicContact CD-CD1 3.7Å; K21-I24 HydrophobicContact CG-CD1 4.41Å
22	A	62.8	Low	81.6	Confident	81 Å²	81	58 Å²	58	67%	0.669	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17	-174.3	0	0	0	0	0	116.3	D20	D20-A22 PolarHBondContact O-N 2.87Å
23	R	76.9	Confident	81.5	Confident	225 Å²	225	59.6 Å²	59.6	85%	0.849	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-0.9	-169.7	-63.8	-173.5	-177.4	-176.1	1	115.8	K21 N41	K21-R23 VanDerWaalsContact C-N 3.28Å; K21-R23 PolarHBondContact O-N 2.74Å; R23-N41 PolarHBondContact O-ND2 3.19Å
24	I	83.8	Confident	81.8	Confident	16 Å²	16	59.6 Å²	59.6	8%	0.082	31%	0.311	C	S	.	.			trans	-85.1	136.7	179.2	-59.1	172.7	0	0	0	108.4	M18 K21 T40 N41 D42	M18-I24 HydrophobicContact CG-CB 4.08Å; M18-I24 HydrophobicContact CG-CG2 4.04Å; M18-I24 VanDerWaalsContact SD-C 3.53Å; M18-I24 HydrophobicContact SD-CB 3.54Å; M18-I24 VanDerWaalsContact SD-CB 3.54Å; M18-I24 HydrophobicContact SD-CG2 3.83Å; K21-I24 HydrophobicContact CB-CD1 3.8Å; K21-I24 HydrophobicContact CB-CG1 4.26Å; K21-I24 HydrophobicContact CD-CD1 3.7Å; K21-I24 HydrophobicContact CG-CD1 4.41Å; I24-T40 HydrophobicContact CG2-CG2 3.79Å; I24-N41 VanDerWaalsContact CA-OD1 3.31Å; I24-N41 WeakPolarHBondContact CA-OD1 3.49Å; I24-D42 VanDerWaalsContact CD1-OD2 3.28Å; I24-D42 WeakPolarHBondContact CD1-OD2 3.14Å
25	N	89.5	Confident	82.3	Confident	53 Å²	53	60.2 Å²	60.2	28%	0.283	32%	0.317	S	S	.	.			trans	-129.4	148.5	176	-69.4	-21.6	0	0	0	109.8	T40 N41 T305	N25-T40 VanDerWaalsContact O-CA 3.31Å; N25-T40 WeakPolarHBondContact O-CA 3.42Å; N25-N41 PolarHBondContact N-OD1 3.21Å; N25-N41 PolarHBondContact O-N 3.46Å; N25-N41 VanDerWaalsContact O-N 3.09Å; N25-T305 WeakPolarHBondContact CA-O 3.42Å
26	I	92.3	Very high	83.1	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.5	169.2	-56.8	173.8	0	0	0	108.8	L17 I29 V38 L292 A303 T305 V308	L17-I26 HydrophobicContact CD1-CD1 3.83Å; L17-I26 HydrophobicContact CD1-CG1 4.44Å; I26-I29 HydrophobicContact CG2-CG2 3.85Å; I26-V38 HydrophobicContact CB-CG1 4.36Å; I26-V38 HydrophobicContact CD1-CG1 4.4Å; I26-V38 HydrophobicContact CG1-CG1 3.99Å; I26-V38 HydrophobicContact CG2-CG1 3.72Å; I26-L292 HydrophobicContact CG2-CD1 4.12Å; I26-A303 HydrophobicContact CG2-CB 4.26Å; I26-T305 PolarHBondContact N-O 2.92Å; I26-V308 HydrophobicContact CD1-CG2 3.77Å
27	E	92.5	Very high	83.9	Confident	75 Å²	75	51.4 Å²	51.4	35%	0.35	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-37.2	-179.7	-68.1	-66.6	157.7	0	0	112.1	G39 N41 P77 V78 L292	E27-G39 PolarHBondContact N-O 2.89Å; E27-N41 HydrophobicContact CG-CB 3.85Å; E27-P77 HydrophobicContact CG-CB 3.85Å; E27-V78 VanDerWaalsContact CB-O 3.29Å; E27-V78 WeakPolarHBondContact CB-O 3.33Å; E27-L292 WeakPolarHBondContact O-CD1 3.16Å
28	C	93.6	Very high	84.9	Confident	7 Å²	7	51.1 Å²	51.1	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.1	175.6	56.8	0	0	0	0	111.5	G39 V78 A79	C28-G39 PolarHBondContact N-O 3.4Å; C28-G39 PolarHBondContact O-N 3.44Å; C28-V78 PolarHBondContact SG-O 3.24Å; C28-A79 WeakPolarHBondContact CB-O 3.42Å
29	I	95.3	Very high	86.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.6	176	58.2	169.4	0	0	0	109.3	I26 Y37 V38 L292 Q294 F296 M301 A303 V308	I26-I29 HydrophobicContact CG2-CG2 3.85Å; I29-Y37 CarbonylContact C-O 3.6Å; I29-Y37 WeakPolarHBondContact CA-O 3.44Å; I29-V38 HydrophobicContact CG2-CG1 4.26Å; I29-V38 HydrophobicContact CG2-CG2 4.25Å; I29-L292 HydrophobicContact CG1-CD1 4.35Å; I29-L292 HydrophobicContact CG2-CD1 4.42Å; I29-Q294 PolarHBondContact O-OE1 3.43Å; I29-F296 HydrophobicContact CD1-CE2 3.96Å; I29-F296 HydrophobicContact CD1-CZ 4.36Å; I29-F296 HydrophobicContact CG1-CE2 4.12Å; I29-F296 HydrophobicContact CG1-CZ 4.02Å; I29-F296 WeakPolarHBondContact O-CZ 3.21Å; I29-M301 HydrophobicContact CD1-CB 3.82Å; I29-A303 HydrophobicContact CD1-CB 4.37Å; I29-A303 HydrophobicContact CG2-CB 4.38Å; I29-V308 HydrophobicContact CD1-CG1 4.43Å; I29-V308 HydrophobicContact CG2-CG2 4.16Å
30	E	94.4	Very high	87.3	Confident	14 Å²	14	49 Å²	49	7%	0.065	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	136.7	171.4	-178.6	68.1	-173.8	0	0	108.9	Y37 L81 R82 A83 L90 F296	E30-Y37 PolarHBondContact N-O 2.82Å; E30-Y37 PolarHBondContact O-N 2.94Å; E30-L81 HydrophobicContact CB-CB 3.76Å; E30-R82 IonicContact OE2-NH1 2.75Å; E30-R82 PolarHBondContact OE2-NH1 3.06Å; E30-A83 VanDerWaalsContact CD-N 3.31Å; E30-A83 HydrophobicContact CG-CB 3.7Å; E30-A83 VanDerWaalsContact OE1-CB 3.32Å; E30-A83 WeakPolarHBondContact OE1-CB 3.43Å; E30-A83 PolarHBondContact OE1-N 2.52Å; E30-L90 HydrophobicContact CG-CD1 4.32Å; E30-F296 VanDerWaalsContact OE2-CE1 3.25Å; E30-F296 WeakPolarHBondContact OE2-CE1 3.1Å
31	C	92.8	Very high	88.8	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.034	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.3	178.4	-168.5	0	0	0	0	110.6	H35 L36 F296 M301	C31-H35 WeakPolarHBondContact CA-O 3.35Å; C31-L36 HydrophobicContact CB-CD1 4.2Å; C31-F296 HydrophobicContact CB-CB 3.73Å; C31-F296 HydrophobicContact CB-CD1 4.28Å; C31-F296 HydrophobicContact CB-CD2 3.64Å; C31-F296 HydrophobicContact CB-CE2 4.29Å; C31-F296 HydrophobicContact CB-CG 3.62Å; C31-M301 HydrophobicContact CB-SD 3.59Å; C31-M301 VanDerWaalsContact CB-SD 3.59Å
32	C	91.2	Very high	89.9	Confident	19 Å²	19	39 Å²	39	13%	0.128	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	113	173.5	177.4	0	0	0	0	109.2	K34 H35 A83 S85	C32-K34 PolarHBondContact O-N 2.72Å; C32-H35 PolarHBondContact N-O 3.44Å; C32-H35 PolarHBondContact O-N 2.97Å; C32-A83 HydrophobicContact CB-CB 3.76Å; C32-S85 WeakPolarHBondContact SG-CB 3.46Å
33	G	88.4	Confident	91.3	Very high	33 Å²	33	35.3 Å²	35.3	34%	0.34	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-105.6	-172.4	0	0	0	0	0	113.2	E297 K299	G33-E297 WeakPolarHBondContact CA-OE2 3.45Å; G33-E297 PolarHBondContact N-OE2 3.32Å; G33-K299 PolarHBondContact O-NZ 3.05Å
34	K	90.4	Very high	92	Very high	107 Å²	107	26.9 Å²	26.9	47%	0.465	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-8.9	177.1	-65.9	-171.8	173	-164.2	0	113.3	C32 L49 L50 D51	C32-K34 PolarHBondContact O-N 2.72Å; K34-L49 HydrophobicContact CB-CD1 3.76Å; K34-L49 CarbonylContact O-C 3.54Å; K34-L50 WeakPolarHBondContact CB-O 3.29Å; K34-L50 PolarHBondContact O-N 3Å; K34-D51 IonicContact NZ-OD1 3.66Å; K34-D51 PolarHBondContact NZ-OD1 3Å
35	H	92.8	Very high	92.5	Very high	72 Å²	72	26.1 Å²	26.1	33%	0.333	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.2	-175.3	-65.7	-70.9	0	0	0	110.4	C31 C32 Y37 H47 F48	C31-H35 WeakPolarHBondContact CA-O 3.35Å; C32-H35 PolarHBondContact N-O 3.44Å; C32-H35 PolarHBondContact O-N 2.97Å; H35-Y37 HydrophobicContact CB-CE2 3.82Å; H35-H47 WeakPolarHBondContact CB-NE2 3.46Å; H35-H47 AromaticContact CE1-NE2 3.98Å; H35-H47 AromaticContact CG-NE2 3.45Å; H35-H47 AromaticContact ND1-CE1 3.44Å; H35-H47 PolarHBondContact ND1-CE1 2.84Å; H35-H47 AromaticContact ND1-NE2 2.97Å; H35-H47 PolarHBondContact ND1-NE2 2.94Å; H35-F48 WeakPolarHBondContact CA-O 3.34Å
36	L	93.9	Very high	92.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126	175.2	175.4	67	0	0	0	109.6	V12 C31 V38 H47 F48 L50 M301 V308	V12-L36 HydrophobicContact CG2-CD2 3.38Å; C31-L36 HydrophobicContact CB-CD1 4.2Å; L36-V38 HydrophobicContact CD2-CG2 4.16Å; L36-V38 HydrophobicContact CG-CG2 4.02Å; L36-H47 WeakPolarHBondContact O-CA 3.44Å; L36-F48 HydrophobicContact CB-CB 4.3Å; L36-F48 PolarHBondContact N-O 3Å; L36-F48 PolarHBondContact O-N 2.77Å; L36-L50 HydrophobicContact CB-CD1 3.77Å; L36-L50 HydrophobicContact CB-CG 3.98Å; L36-L50 HydrophobicContact CD2-CD1 4.08Å; L36-L50 HydrophobicContact CD2-CD2 4.29Å; L36-L50 HydrophobicContact CD2-CG 4.46Å; L36-L50 HydrophobicContact CG-CD1 4.43Å; L36-M301 HydrophobicContact CD1-CE 3.87Å; L36-M301 HydrophobicContact CD1-SD 3.88Å; L36-M301 HydrophobicContact CD2-CE 4.14Å; L36-V308 HydrophobicContact CD2-CG1 4.23Å
37	Y	94.8	Very high	92.8	Very high	5 Å²	5	24 Å²	24	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.1	175	-57.3	-86.7	0	0	0	109.3	I29 E30 H35 I45 H46 H47 L90 M103 L106	I29-Y37 CarbonylContact C-O 3.6Å; I29-Y37 WeakPolarHBondContact CA-O 3.44Å; E30-Y37 PolarHBondContact N-O 2.82Å; E30-Y37 PolarHBondContact O-N 2.94Å; H35-Y37 HydrophobicContact CB-CE2 3.82Å; Y37-I45 HydrophobicContact CD1-CG2 4.33Å; Y37-H46 CarbonylContact C-O 3.57Å; Y37-H46 WeakPolarHBondContact CA-O 3.44Å; Y37-H47 HydrophobicContact CD1-CB 4.13Å; Y37-H47 AromaticContact CD1-CD2 3.66Å; Y37-H47 HydrophobicContact CE1-CB 4.08Å; Y37-H47 AromaticContact CE1-CD2 3.14Å; Y37-H47 WeakPolarHBondContact CE1-CD2 3.41Å; Y37-H47 AromaticContact CE1-CG 3.67Å; Y37-H47 AromaticContact CE1-NE2 3.53Å; Y37-H47 AromaticContact CZ-CD2 3.43Å; Y37-H47 VanDerWaalsContact CZ-CD2 3.43Å; Y37-H47 AromaticContact CZ-NE2 3.39Å; Y37-H47 PolarHBondContact OH-NE2 3.43Å; Y37-H47 VanDerWaalsContact OH-NE2 3.15Å; Y37-L90 HydrophobicContact CD1-CD2 3.85Å; Y37-L90 HydrophobicContact CD2-CD1 4.11Å; Y37-L90 HydrophobicContact CE1-CD2 4.4Å; Y37-L90 HydrophobicContact CG-CD1 4.15Å; Y37-L90 HydrophobicContact CG-CD2 4.02Å; Y37-M103 WeakPolarHBondContact CE1-O 3.41Å; Y37-M103 HydrophobicContact CE2-CE 4.48Å; Y37-M103 WeakPolarHBondContact OH-CB 3.41Å; Y37-M103 PolarHBondContact OH-O 2.83Å; Y37-L106 HydrophobicContact CD1-CD2 4.1Å; Y37-L106 HydrophobicContact CE1-CD2 4.04Å
38	V	94.7	Very high	92.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.6	-179.6	-174.9	0	0	0	0	109.3	L17 I26 I29 L36 I45 H46 F48 V308	L17-V38 HydrophobicContact CD2-CB 4.06Å; L17-V38 HydrophobicContact CD2-CG1 3.78Å; L17-V38 HydrophobicContact CD2-CG2 4.34Å; I26-V38 HydrophobicContact CB-CG1 4.36Å; I26-V38 HydrophobicContact CD1-CG1 4.4Å; I26-V38 HydrophobicContact CG1-CG1 3.99Å; I26-V38 HydrophobicContact CG2-CG1 3.72Å; I29-V38 HydrophobicContact CG2-CG1 4.26Å; I29-V38 HydrophobicContact CG2-CG2 4.25Å; L36-V38 HydrophobicContact CD2-CG2 4.16Å; L36-V38 HydrophobicContact CG-CG2 4.02Å; V38-I45 WeakPolarHBondContact O-CA 3.21Å; V38-H46 HydrophobicContact CB-CB 4.38Å; V38-H46 PolarHBondContact N-O 3.01Å; V38-H46 PolarHBondContact O-N 3.34Å; V38-F48 HydrophobicContact CB-CE2 4.36Å; V38-F48 HydrophobicContact CG2-CD2 4.1Å; V38-F48 HydrophobicContact CG2-CE2 3.97Å; V38-V308 HydrophobicContact CG2-CG2 4.37Å
39	G	94.4	Very high	92.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.4	174.7	0	0	0	0	0	111.2	E27 C28	E27-G39 PolarHBondContact N-O 2.89Å; C28-G39 PolarHBondContact N-O 3.4Å; C28-G39 PolarHBondContact O-N 3.44Å
40	T	92.9	Very high	92.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	164.1	-176.4	58.3	0	0	0	0	113	I24 N25 D42 C43 F44 V78	I24-T40 HydrophobicContact CG2-CG2 3.79Å; N25-T40 VanDerWaalsContact O-CA 3.31Å; N25-T40 WeakPolarHBondContact O-CA 3.42Å; T40-D42 WeakPolarHBondContact CB-OD1 3.5Å; T40-D42 PolarHBondContact O-N 3.36Å; T40-D42 PolarHBondContact OG1-OD1 3.34Å; T40-C43 PolarHBondContact O-N 3.43Å; T40-F44 PolarHBondContact N-O 3.31Å; T40-F44 WeakPolarHBondContact OG1-CB 3.5Å; T40-F44 PolarHBondContact OG1-N 2.91Å; T40-F44 PolarHBondContact OG1-O 3.4Å; T40-V78 PolarHBondContact O-N 3.43Å
41	N	91.4	Very high	92.4	Very high	48 Å²	48	23.7 Å²	23.7	26%	0.257	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.7	177.2	67.6	-26.2	0	0	0	114.6	R23 I24 N25 E27 C43 P77	R23-N41 PolarHBondContact O-ND2 3.19Å; I24-N41 VanDerWaalsContact CA-OD1 3.31Å; I24-N41 WeakPolarHBondContact CA-OD1 3.49Å; N25-N41 PolarHBondContact N-OD1 3.21Å; N25-N41 PolarHBondContact O-N 3.46Å; N25-N41 VanDerWaalsContact O-N 3.09Å; E27-N41 HydrophobicContact CG-CB 3.85Å; N41-C43 VanDerWaalsContact C-N 3.29Å; N41-P77 HydrophobicContact CB-CB 4.45Å
42	D	89.3	Confident	92.2	Very high	49 Å²	49	28.2 Å²	28.2	26%	0.262	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	18	175.7	68.5	-23.3	0	0	0	113.6	I24 T40 F44 Y71	I24-D42 VanDerWaalsContact CD1-OD2 3.28Å; I24-D42 WeakPolarHBondContact CD1-OD2 3.14Å; T40-D42 WeakPolarHBondContact CB-OD1 3.5Å; T40-D42 PolarHBondContact O-N 3.36Å; T40-D42 PolarHBondContact OG1-OD1 3.34Å; D42-F44 HydrophobicContact CB-CD2 4.4Å; D42-F44 WeakPolarHBondContact O-CD2 3.2Å; D42-F44 WeakPolarHBondContact OD2-CD2 3.32Å; D42-Y71 WeakPolarHBondContact O-CE2 3.42Å
43	C	91.7	Very high	91.9	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.027	16%	0.16	C	C	.	.	S	Bend	trans	67.7	30.4	173.5	-34.6	0	0	0	0	114.4	T40 N41 Y71 L72 L74 K76	T40-C43 PolarHBondContact O-N 3.43Å; N41-C43 VanDerWaalsContact C-N 3.29Å; C43-Y71 HydrophobicContact CB-CD2 4.21Å; C43-Y71 HydrophobicContact CB-CE2 3.79Å; C43-L72 PolarHBondContact O-N 2.81Å; C43-L74 VanDerWaalsContact SG-C 3.53Å; C43-L74 PolarHBondContact SG-O 2.87Å; C43-K76 PolarHBondContact SG-N 3.19Å; C43-K76 VanDerWaalsContact SG-N 3.39Å; C43-K76 PolarHBondContact SG-O 3.19Å
44	F	92.2	Very high	91.6	Very high	49 Å²	49	32.5 Å²	32.5	22%	0.215	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	147.2	170.2	-76.2	-101.3	0	0	0	111.1	T40 D42 H69 K70 Y71	T40-F44 PolarHBondContact N-O 3.31Å; T40-F44 WeakPolarHBondContact OG1-CB 3.5Å; T40-F44 PolarHBondContact OG1-N 2.91Å; T40-F44 PolarHBondContact OG1-O 3.4Å; D42-F44 HydrophobicContact CB-CD2 4.4Å; D42-F44 WeakPolarHBondContact O-CD2 3.2Å; D42-F44 WeakPolarHBondContact OD2-CD2 3.32Å; F44-H69 AromaticContact CD1-CD2 3.86Å; F44-H69 AromaticContact CE1-CD2 3.87Å; F44-K70 WeakPolarHBondContact CA-O 3.47Å; F44-Y71 AromaticContact CD2-CD2 3.91Å; F44-Y71 HydrophobicContact CD2-CD2 3.91Å; F44-Y71 HydrophobicContact CE1-CG 4.47Å; F44-Y71 AromaticContact CE2-CD2 3.58Å; F44-Y71 HydrophobicContact CE2-CD2 3.58Å; F44-Y71 HydrophobicContact CE2-CE2 4.41Å; F44-Y71 HydrophobicContact CE2-CG 4.17Å; F44-Y71 AromaticContact CZ-CD2 3.95Å; F44-Y71 HydrophobicContact CZ-CD2 3.95Å; F44-Y71 HydrophobicContact CZ-CG 4.06Å
45	I	94	Very high	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.5	160.5	-58.7	178.8	0	0	0	107	Y37 V38 H69 K70 L72 V78 L81 L90 V92 L106	Y37-I45 HydrophobicContact CD1-CG2 4.33Å; V38-I45 WeakPolarHBondContact O-CA 3.21Å; I45-H69 CarbonylContact O-C 3.58Å; I45-H69 WeakPolarHBondContact O-CA 3.45Å; I45-K70 PolarHBondContact N-O 2.8Å; I45-K70 PolarHBondContact O-N 3.28Å; I45-L72 HydrophobicContact CD1-CD1 3.89Å; I45-L72 HydrophobicContact CD1-CD2 3.94Å; I45-L72 HydrophobicContact CD1-CG 4.32Å; I45-L72 HydrophobicContact CG1-CD1 3.96Å; I45-L72 HydrophobicContact CG1-CD2 4.33Å; I45-L72 HydrophobicContact CG1-CG 4.3Å; I45-V78 HydrophobicContact CG1-CG1 4.49Å; I45-V78 HydrophobicContact CG1-CG2 4.36Å; I45-L81 HydrophobicContact CD1-CD2 3.85Å; I45-L81 HydrophobicContact CG1-CD2 4.4Å; I45-L90 HydrophobicContact CD1-CD2 4.12Å; I45-L90 HydrophobicContact CG2-CD2 4.18Å; I45-V92 HydrophobicContact CD1-CG1 4.08Å; I45-V92 HydrophobicContact CD1-CG2 3.73Å; I45-L106 HydrophobicContact CB-CD1 4.14Å; I45-L106 HydrophobicContact CG2-CD1 3.92Å; I45-L106 HydrophobicContact CG2-CD2 3.88Å
46	H	93.4	Very high	89.6	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.046	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130	174.2	-64.4	-112.5	0	0	0	109.2	L17 Y37 V38 F48 K66	L17-H46 HydrophobicContact CD2-CB 4.48Å; L17-H46 PolarHBondContact O-CE1 2.61Å; Y37-H46 CarbonylContact C-O 3.57Å; Y37-H46 WeakPolarHBondContact CA-O 3.44Å; V38-H46 HydrophobicContact CB-CB 4.38Å; V38-H46 PolarHBondContact N-O 3.01Å; V38-H46 PolarHBondContact O-N 3.34Å; H46-F48 HydrophobicContact CB-CD2 4.27Å; H46-F48 HydrophobicContact CB-CE2 3.44Å; H46-F48 VanDerWaalsContact CB-CE2 3.44Å; H46-F48 HydrophobicContact CB-CZ 3.91Å; H46-K66 PolarHBondContact ND1-NZ 3.31Å
47	H	94.5	Very high	88.1	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.023	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.4	177.5	179.9	-146.2	0	0	0	110.4	H35 L36 Y37 L67 L68 L106	H35-H47 WeakPolarHBondContact CB-NE2 3.46Å; H35-H47 AromaticContact CE1-NE2 3.98Å; H35-H47 AromaticContact CG-NE2 3.45Å; H35-H47 AromaticContact ND1-CE1 3.44Å; H35-H47 PolarHBondContact ND1-CE1 2.84Å; H35-H47 AromaticContact ND1-NE2 2.97Å; H35-H47 PolarHBondContact ND1-NE2 2.94Å; L36-H47 WeakPolarHBondContact O-CA 3.44Å; Y37-H47 HydrophobicContact CD1-CB 4.13Å; Y37-H47 AromaticContact CD1-CD2 3.66Å; Y37-H47 HydrophobicContact CE1-CB 4.08Å; Y37-H47 AromaticContact CE1-CD2 3.14Å; Y37-H47 WeakPolarHBondContact CE1-CD2 3.41Å; Y37-H47 AromaticContact CE1-CG 3.67Å; Y37-H47 AromaticContact CE1-NE2 3.53Å; Y37-H47 AromaticContact CZ-CD2 3.43Å; Y37-H47 VanDerWaalsContact CZ-CD2 3.43Å; Y37-H47 AromaticContact CZ-NE2 3.39Å; Y37-H47 PolarHBondContact OH-NE2 3.43Å; Y37-H47 VanDerWaalsContact OH-NE2 3.15Å; H47-L67 VanDerWaalsContact CE1-CD1 3.5Å; H47-L67 WeakPolarHBondContact CE1-CD1 3.41Å; H47-L67 PolarHBondContact O-N 3.39Å; H47-L68 HydrophobicContact CB-CD2 3.84Å; H47-L68 HydrophobicContact CB-CG 3.93Å; H47-L68 PolarHBondContact N-O 2.85Å; H47-L68 WeakPolarHBondContact ND1-CD2 3.32Å; H47-L68 PolarHBondContact O-N 2.9Å; H47-L106 HydrophobicContact CB-CD1 4.16Å
48	F	93.8	Very high	86.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.5	178.7	-59.1	-87.7	0	0	0	110.4	V12 L16 L17 H35 L36 V38 H46 T64 Q65 K66	V12-F48 HydrophobicContact CG1-CD1 4.36Å; V12-F48 HydrophobicContact CG1-CE1 3.98Å; V12-F48 HydrophobicContact CG1-CE2 4.24Å; V12-F48 HydrophobicContact CG1-CZ 3.93Å; L16-F48 HydrophobicContact CB-CE1 4.42Å; L17-F48 HydrophobicContact CD2-CE2 3.78Å; L17-F48 HydrophobicContact CD2-CZ 3.81Å; L17-F48 HydrophobicContact CG-CE2 4.16Å; L17-F48 HydrophobicContact CG-CZ 3.81Å; H35-F48 WeakPolarHBondContact CA-O 3.34Å; L36-F48 HydrophobicContact CB-CB 4.3Å; L36-F48 PolarHBondContact N-O 3Å; L36-F48 PolarHBondContact O-N 2.77Å; V38-F48 HydrophobicContact CB-CE2 4.36Å; V38-F48 HydrophobicContact CG2-CD2 4.1Å; V38-F48 HydrophobicContact CG2-CE2 3.97Å; H46-F48 HydrophobicContact CB-CD2 4.27Å; H46-F48 HydrophobicContact CB-CE2 3.44Å; H46-F48 VanDerWaalsContact CB-CE2 3.44Å; H46-F48 HydrophobicContact CB-CZ 3.91Å; F48-T64 HydrophobicContact CB-CG2 3.97Å; F48-T64 HydrophobicContact CD1-CG2 3.72Å; F48-T64 HydrophobicContact CG-CG2 4.12Å; F48-Q65 CarbonylContact C-O 3.56Å; F48-Q65 VanDerWaalsContact CA-O 3.29Å; F48-Q65 WeakPolarHBondContact CA-O 3.41Å; F48-K66 HydrophobicContact CD1-CB 3.76Å; F48-K66 HydrophobicContact CD1-CG 4.03Å; F48-K66 HydrophobicContact CE1-CB 3.65Å; F48-K66 HydrophobicContact CE1-CD 3.96Å; F48-K66 HydrophobicContact CE1-CG 3.65Å; F48-K66 HydrophobicContact CZ-CD 4.38Å; F48-K66 HydrophobicContact CZ-CG 4.3Å
49	L	93.4	Very high	85.8	Confident	34 Å²	34	49.5 Å²	49.5	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.1	165.4	-170.2	69.5	0	0	0	108.6	K34 T64 Q65 L67	K34-L49 HydrophobicContact CB-CD1 3.76Å; K34-L49 CarbonylContact O-C 3.54Å; L49-T64 WeakPolarHBondContact O-CA 3.44Å; L49-Q65 HydrophobicContact CB-CB 4.49Å; L49-Q65 PolarHBondContact N-O 3.32Å; L49-Q65 PolarHBondContact O-N 2.86Å; L49-L67 HydrophobicContact CB-CD1 3.93Å; L49-L67 HydrophobicContact CB-CD2 4.31Å; L49-L67 HydrophobicContact CB-CG 4.06Å
50	L	91.5	Very high	85.2	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.9	177.4	-61.9	179.8	0	0	0	109.4	A11 V12 K34 L36 Y62 T64 M301	A11-L50 HydrophobicContact CB-CD2 4.23Å; V12-L50 HydrophobicContact CG2-CD2 4.37Å; K34-L50 WeakPolarHBondContact CB-O 3.29Å; K34-L50 PolarHBondContact O-N 3Å; L36-L50 HydrophobicContact CB-CD1 3.77Å; L36-L50 HydrophobicContact CB-CG 3.98Å; L36-L50 HydrophobicContact CD2-CD1 4.08Å; L36-L50 HydrophobicContact CD2-CD2 4.29Å; L36-L50 HydrophobicContact CD2-CG 4.46Å; L36-L50 HydrophobicContact CG-CD1 4.43Å; L50-Y62 HydrophobicContact CB-CD1 4.19Å; L50-T64 HydrophobicContact CD2-CG2 4.01Å; L50-T64 WeakPolarHBondContact CD2-OG1 3.42Å; L50-M301 HydrophobicContact CD1-CE 3.65Å
51	D	89.7	Confident	84.8	Confident	55 Å²	55	54.6 Å²	54.6	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.3	171.9	-78.3	-50.5	0	0	0	110.8	K34 V53 Y62 S63	K34-D51 IonicContact NZ-OD1 3.66Å; K34-D51 PolarHBondContact NZ-OD1 3Å; D51-V53 PolarHBondContact O-N 3.11Å; D51-Y62 WeakPolarHBondContact O-CA 3.28Å; D51-S63 PolarHBondContact N-O 3.19Å; D51-S63 PolarHBondContact O-N 3.16Å
52	E	87.4	Confident	84.6	Confident	101 Å²	101	53.7 Å²	53.7	47%	0.472	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.3	176.8	-74.2	171.2	-153.4	0	0	109.9	Y62 K299	E52-Y62 HydrophobicContact CG-CD1 3.91Å; E52-Y62 HydrophobicContact CG-CE1 3.28Å; E52-K299 WeakPolarHBondContact OE1-CE 3.25Å; E52-K299 IonicContact OE1-NZ 3.95Å; E52-K299 PolarHBondContact OE1-NZ 3.2Å
53	V	85.8	Confident	84.5	Confident	70 Å²	70	54.8 Å²	54.8	42%	0.424	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	111.6	178.2	-175.7	0	0	0	0	108.7	D51 S61	D51-V53 PolarHBondContact O-N 3.11Å; V53-S61 PolarHBondContact N-O 3.2Å; V53-S61 PolarHBondContact O-N 2.89Å; V53-S61 PolarHBondContact O-OG 3.15Å
54	A	81.5	Confident	84.4	Confident	71 Å²	71	55.7 Å²	55.7	59%	0.587	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.5	174.3	0	0	0	0	0	110.4	L60	A54-L60 HydrophobicContact CB-CD2 4.28Å
55	S	76.3	Confident	84.3	Confident	57 Å²	57	58.8 Å²	58.8	40%	0.399	34%	0.341	S	S	.	.			trans	-67.3	156.4	169.8	180	0	0	0	0	111.1	K57 G58 K59	S55-K57 PolarHBondContact O-N 3.34Å; S55-G58 PolarHBondContact O-N 3.25Å; S55-K59 WeakPolarHBondContact CB-O 3.49Å; S55-K59 PolarHBondContact N-O 2.83Å
56	S	64.7	Low	84.2	Confident	128 Å²	128	62.2 Å²	62.2	90%	0.895	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.6	173	56	0	0	0	0	114.1
57	K	63.4	Low	84.1	Confident	188 Å²	188	65.2 Å²	65.2	82%	0.817	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	9.8	173.5	-64.7	-173.4	177.9	-177.7	0	114.2	S55 K59	S55-K57 PolarHBondContact O-N 3.34Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.74Å
58	G	65.2	Low	83.9	Confident	59 Å²	59	67 Å²	67	61%	0.608	38%	0.382	S	S	*	.	S	Bend	trans	73.9	10.9	179.8	0	0	0	0	0	115	S55	S55-G58 PolarHBondContact O-N 3.25Å
59	K	75.7	Confident	83.8	Confident	110 Å²	110	72 Å²	72	48%	0.478	41%	0.405	S	S	.	.			trans	-82	122.4	172.2	-177.5	167.2	171.4	143.9	0	109.3	E7 S55 K57	E7-K59 WeakPolarHBondContact OE1-CE 3.36Å; E7-K59 IonicContact OE1-NZ 2.74Å; E7-K59 PolarHBondContact OE1-NZ 2.89Å; S55-K59 WeakPolarHBondContact CB-O 3.49Å; S55-K59 PolarHBondContact N-O 2.83Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.74Å
60	L	81.6	Confident	83.7	Confident	58 Å²	58	74 Å²	74	30%	0.304	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.8	175.6	-78.2	157.4	0	0	0	109.9	A54 V312	A54-L60 HydrophobicContact CB-CD2 4.28Å; L60-V312 HydrophobicContact CB-CG1 4.12Å; L60-V312 HydrophobicContact CD1-CG1 3.47Å; L60-V312 VanDerWaalsContact CD1-CG1 3.47Å; L60-V312 HydrophobicContact CG-CG1 4.42Å
61	S	84.9	Confident	83.7	Confident	50 Å²	50	79.2 Å²	79.2	35%	0.35	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.9	173.5	56.2	0	0	0	0	108.7	V53	V53-S61 PolarHBondContact N-O 3.2Å; V53-S61 PolarHBondContact O-N 2.89Å; V53-S61 PolarHBondContact O-OG 3.15Å
62	Y	87.3	Confident	83.6	Confident	29 Å²	29	78.2 Å²	78.2	11%	0.114	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.4	177.1	-73.8	-88.2	0	0	0	109.2	V9 A11 L50 D51 E52 V310 V312	V9-Y62 HydrophobicContact CB-CD2 4.44Å; V9-Y62 HydrophobicContact CG1-CD2 3.92Å; A11-Y62 HydrophobicContact CB-CG 4.45Å; L50-Y62 HydrophobicContact CB-CD1 4.19Å; D51-Y62 WeakPolarHBondContact O-CA 3.28Å; E52-Y62 HydrophobicContact CG-CD1 3.91Å; E52-Y62 HydrophobicContact CG-CE1 3.28Å; Y62-V310 HydrophobicContact CD2-CB 4.3Å; Y62-V310 HydrophobicContact CD2-CG2 4.25Å; Y62-V310 HydrophobicContact CE2-CB 3.69Å; Y62-V310 HydrophobicContact CE2-CG1 3.88Å; Y62-V310 HydrophobicContact CE2-CG2 3.9Å; Y62-V312 HydrophobicContact CE2-CG2 3.81Å
63	S	86.4	Confident	83.3	Confident	72 Å²	72	76 Å²	76	50%	0.503	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.3	163.6	-169.8	0	0	0	0	107.8	D51	D51-S63 PolarHBondContact N-O 3.19Å; D51-S63 PolarHBondContact O-N 3.16Å
64	T	89.7	Confident	83.3	Confident	22 Å²	22	74.1 Å²	74.1	14%	0.135	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.2	-173.7	-63.8	0	0	0	0	110	A11 V12 F48 L49 L50	A11-T64 WeakPolarHBondContact O-CB 3.26Å; A11-T64 PolarHBondContact O-OG1 3.1Å; V12-T64 HydrophobicContact CG1-CG2 4.44Å; V12-T64 HydrophobicContact CG2-CG2 3.93Å; F48-T64 HydrophobicContact CB-CG2 3.97Å; F48-T64 HydrophobicContact CD1-CG2 3.72Å; F48-T64 HydrophobicContact CG-CG2 4.12Å; L49-T64 WeakPolarHBondContact O-CA 3.44Å; L50-T64 HydrophobicContact CD2-CG2 4.01Å; L50-T64 WeakPolarHBondContact CD2-OG1 3.42Å
65	Q	90.6	Very high	83.4	Confident	114 Å²	114	80.3 Å²	80.3	53%	0.533	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.1	172.5	-175.9	178.8	-4.5	0	0	109.9	F48 L49 L67	F48-Q65 CarbonylContact C-O 3.56Å; F48-Q65 VanDerWaalsContact CA-O 3.29Å; F48-Q65 WeakPolarHBondContact CA-O 3.41Å; L49-Q65 HydrophobicContact CB-CB 4.49Å; L49-Q65 PolarHBondContact N-O 3.32Å; L49-Q65 PolarHBondContact O-N 2.86Å; Q65-L67 HydrophobicContact CG-CD2 4.38Å; Q65-L67 PolarHBondContact O-N 2.99Å
66	K	90.6	Very high	84.1	Confident	72 Å²	72	83.1 Å²	83.1	31%	0.313	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.1	171.1	-170.9	174.8	-174.5	170.1	0	109.3	L16 H46 F48	L16-K66 PolarHBondContact O-NZ 2.89Å; H46-K66 PolarHBondContact ND1-NZ 3.31Å; F48-K66 HydrophobicContact CD1-CB 3.76Å; F48-K66 HydrophobicContact CD1-CG 4.03Å; F48-K66 HydrophobicContact CE1-CB 3.65Å; F48-K66 HydrophobicContact CE1-CD 3.96Å; F48-K66 HydrophobicContact CE1-CG 3.65Å; F48-K66 HydrophobicContact CZ-CD 4.38Å; F48-K66 HydrophobicContact CZ-CG 4.3Å
67	L	91.3	Very high	85.4	Confident	73 Å²	73	79.5 Å²	79.5	38%	0.382	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-59.5	-179.5	-64.9	-179.5	0	0	0	110.8	H47 L49 Q65	H47-L67 VanDerWaalsContact CE1-CD1 3.5Å; H47-L67 WeakPolarHBondContact CE1-CD1 3.41Å; H47-L67 PolarHBondContact O-N 3.39Å; L49-L67 HydrophobicContact CB-CD1 3.93Å; L49-L67 HydrophobicContact CB-CD2 4.31Å; L49-L67 HydrophobicContact CB-CG 4.06Å; Q65-L67 HydrophobicContact CG-CD2 4.38Å; Q65-L67 PolarHBondContact O-N 2.99Å
68	L	91.9	Very high	86.9	Confident	43 Å²	43	70.6 Å²	70.6	23%	0.225	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	168	178.5	65.6	148.9	0	0	0	112.8	H47 V104 T105 L106	H47-L68 HydrophobicContact CB-CD2 3.84Å; H47-L68 HydrophobicContact CB-CG 3.93Å; H47-L68 PolarHBondContact N-O 2.85Å; H47-L68 WeakPolarHBondContact ND1-CD2 3.32Å; H47-L68 PolarHBondContact O-N 2.9Å; L68-V104 WeakPolarHBondContact CD2-O 3.3Å; L68-T105 WeakPolarHBondContact CD1-O 3.41Å; L68-L106 HydrophobicContact CD1-CB 3.77Å; L68-L106 HydrophobicContact CD1-CD1 3.61Å; L68-L106 HydrophobicContact CD1-CG 3.55Å; L68-L106 HydrophobicContact CG-CD1 3.84Å; L68-L106 HydrophobicContact CG-CG 4.17Å
69	H	91.3	Very high	88.2	Confident	105 Å²	105	70.4 Å²	70.4	49%	0.486	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144	167.7	64.7	-69.9	0	0	0	109.2	F44 I45	F44-H69 AromaticContact CD1-CD2 3.86Å; F44-H69 AromaticContact CE1-CD2 3.87Å; I45-H69 CarbonylContact O-C 3.58Å; I45-H69 WeakPolarHBondContact O-CA 3.45Å
70	K	91.4	Very high	89.1	Confident	75 Å²	75	66.6 Å²	66.6	33%	0.326	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.6	-177.8	-170.6	81.5	169.4	-157.8	0	110.7	F44 I45 L106 E107	F44-K70 WeakPolarHBondContact CA-O 3.47Å; I45-K70 PolarHBondContact N-O 2.8Å; I45-K70 PolarHBondContact O-N 3.28Å; K70-L106 HydrophobicContact CB-CB 3.73Å; K70-L106 HydrophobicContact CB-CD1 4.12Å; K70-L106 HydrophobicContact CG-CB 4.33Å; K70-E107 IonicContact NZ-OE1 2.7Å; K70-E107 PolarHBondContact NZ-OE1 2.92Å; K70-E107 VanDerWaalsContact NZ-OE1 3.13Å
71	Y	90.9	Very high	89.7	Confident	111 Å²	111	63.9 Å²	63.9	44%	0.435	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.1	167.5	-178.4	-122.7	0	0	0	109.9	D42 C43 F44 G73 L74	D42-Y71 WeakPolarHBondContact O-CE2 3.42Å; C43-Y71 HydrophobicContact CB-CD2 4.21Å; C43-Y71 HydrophobicContact CB-CE2 3.79Å; F44-Y71 AromaticContact CD2-CD2 3.91Å; F44-Y71 HydrophobicContact CD2-CD2 3.91Å; F44-Y71 HydrophobicContact CE1-CG 4.47Å; F44-Y71 AromaticContact CE2-CD2 3.58Å; F44-Y71 HydrophobicContact CE2-CD2 3.58Å; F44-Y71 HydrophobicContact CE2-CE2 4.41Å; F44-Y71 HydrophobicContact CE2-CG 4.17Å; F44-Y71 AromaticContact CZ-CD2 3.95Å; F44-Y71 HydrophobicContact CZ-CD2 3.95Å; F44-Y71 HydrophobicContact CZ-CG 4.06Å; Y71-G73 VanDerWaalsContact C-N 3.3Å; Y71-G73 VanDerWaalsContact CE1-CA 3.4Å; Y71-G73 PolarHBondContact O-N 2.87Å; Y71-L74 PolarHBondContact OH-O 3.05Å
72	L	87.1	Confident	90.1	Very high	34 Å²	34	63.6 Å²	63.6	18%	0.178	33%	0.326	C	S	.	.			trans	-81.5	-3.9	-175.7	-61.2	176.5	0	0	0	114.2	C43 I45 L74 V78 V92 C94 F99	C43-L72 PolarHBondContact O-N 2.81Å; I45-L72 HydrophobicContact CD1-CD1 3.89Å; I45-L72 HydrophobicContact CD1-CD2 3.94Å; I45-L72 HydrophobicContact CD1-CG 4.32Å; I45-L72 HydrophobicContact CG1-CD1 3.96Å; I45-L72 HydrophobicContact CG1-CD2 4.33Å; I45-L72 HydrophobicContact CG1-CG 4.3Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 2.86Å; L72-V78 HydrophobicContact CD1-CG2 3.83Å; L72-V92 HydrophobicContact CD1-CG1 3.9Å; L72-C94 HydrophobicContact CD1-CB 4.45Å; L72-F99 HydrophobicContact CD1-CZ 4.16Å; L72-F99 HydrophobicContact CD2-CE2 4.48Å
73	G	81.9	Confident	90.4	Very high	55 Å²	55	63.2 Å²	63.2	57%	0.567	33%	0.329	S	S	*	.	S	Bend	trans	77.8	10.2	-179.6	0	0	0	0	0	114.9	Y71	Y71-G73 VanDerWaalsContact C-N 3.3Å; Y71-G73 VanDerWaalsContact CE1-CA 3.4Å; Y71-G73 PolarHBondContact O-N 2.87Å
74	L	85.3	Confident	90.6	Very high	30 Å²	30	60 Å²	60	16%	0.157	31%	0.306	C	S	.	.			trans	-105.6	167.5	-179.8	-62.2	173.4	0	0	0	110.9	C43 Y71 L72 C94 D95 M97 F99	C43-L74 VanDerWaalsContact SG-C 3.53Å; C43-L74 PolarHBondContact SG-O 2.87Å; Y71-L74 PolarHBondContact OH-O 3.05Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 2.86Å; L74-C94 HydrophobicContact CD1-CB 3.75Å; L74-C94 WeakPolarHBondContact CD1-SG 3.44Å; L74-D95 HydrophobicContact CD1-CB 4.35Å; L74-M97 HydrophobicContact CD1-CE 4.32Å; L74-M97 HydrophobicContact CD2-CE 3.93Å; L74-F99 HydrophobicContact CD1-CE1 4.02Å; L74-F99 HydrophobicContact CD1-CZ 4.26Å
75	K	84.1	Confident	90.5	Very high	201 Å²	201	62 Å²	62	87%	0.874	32%	0.321	S	S	*	.	S	Bend	trans	-106.1	-7.7	-177.8	-68.2	-173.6	179.1	-178.9	0	114.5
76	K	91.5	Very high	90.3	Very high	116 Å²	116	59.9 Å²	59.9	50%	0.504	32%	0.323	S	S	.	.	S	Bend	trans	-110	151.2	-176.8	-72.8	-154.1	-168	133	0	111.3	C43 C94 D95	C43-K76 PolarHBondContact SG-N 3.19Å; C43-K76 VanDerWaalsContact SG-N 3.39Å; C43-K76 PolarHBondContact SG-O 3.19Å; K76-C94 PolarHBondContact O-SG 2.8Å; K76-D95 HydrophobicContact CB-CB 4.04Å; K76-D95 WeakPolarHBondContact CD-OD1 3.46Å; K76-D95 WeakPolarHBondContact CE-OD1 3.22Å; K76-D95 HydrophobicContact CG-CB 4.37Å; K76-D95 WeakPolarHBondContact CG-OD1 3.12Å; K76-D95 IonicContact NZ-OD1 2.62Å; K76-D95 PolarHBondContact NZ-OD1 2.86Å
77	P	91.8	Very high	90.2	Very high	53 Å²	53	57 Å²	57	34%	0.344	31%	0.311	S	S	.	.			trans	-49	149.2	179.4	21.5	-36.1	0	0	0	113	E27 N41 A79	E27-P77 HydrophobicContact CG-CB 3.85Å; N41-P77 HydrophobicContact CB-CB 4.45Å; P77-A79 PolarHBondContact O-N 3.18Å
78	V	94.3	Very high	90.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	107.5	163.5	-171.5	0	0	0	0	106.9	E27 C28 T40 I45 L72 L81 V92	E27-V78 VanDerWaalsContact CB-O 3.29Å; E27-V78 WeakPolarHBondContact CB-O 3.33Å; C28-V78 PolarHBondContact SG-O 3.24Å; T40-V78 PolarHBondContact O-N 3.43Å; I45-V78 HydrophobicContact CG1-CG1 4.49Å; I45-V78 HydrophobicContact CG1-CG2 4.36Å; L72-V78 HydrophobicContact CD1-CG2 3.83Å; V78-L81 HydrophobicContact CG1-CD1 4.42Å; V78-L81 HydrophobicContact CG1-CD2 3.76Å; V78-L81 HydrophobicContact CG1-CG 3.96Å; V78-V92 HydrophobicContact CG1-CG1 3.94Å
79	A	92.3	Very high	90.1	Very high	56 Å²	56	58.3 Å²	58.3	46%	0.463	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-37.7	-169	0	0	0	0	0	112.5	C28 P77 L93	C28-A79 WeakPolarHBondContact CB-O 3.42Å; P77-A79 PolarHBondContact O-N 3.18Å; A79-L93 HydrophobicContact CB-CD2 4.16Å; A79-L93 HydrophobicContact CB-CG 4.13Å; A79-L93 PolarHBondContact N-O 3.31Å
80	E	94	Very high	90.2	Very high	30 Å²	30	53.3 Å²	53.3	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.2	-178.9	-173.1	166.8	-149.4	0	0	110.9	R82 L93 F125	E80-R82 IonicContact OE1-CZ 2.99Å; E80-R82 IonicContact OE1-NE 2.73Å; E80-R82 IonicContact OE1-NH1 2.77Å; E80-R82 IonicContact OE1-NH2 2.86Å; E80-R82 PolarHBondContact OE1-NH2 2.77Å; E80-L93 HydrophobicContact CB-CB 4.02Å; E80-L93 HydrophobicContact CB-CD2 4.15Å; E80-L93 PolarHBondContact N-O 2.88Å; E80-L93 PolarHBondContact O-N 3.24Å; E80-F125 HydrophobicContact CB-CD1 4.31Å; E80-F125 HydrophobicContact CB-CE1 3.76Å; E80-F125 HydrophobicContact CG-CD1 4.16Å; E80-F125 HydrophobicContact CG-CE1 3.59Å; E80-F125 HydrophobicContact CG-CZ 4.1Å; E80-F125 WeakPolarHBondContact OE2-CD1 3.27Å; E80-F125 PolarHBondContact OE2-N 3.13Å
81	L	94.9	Very high	90.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.3	178.1	-68.1	174.4	0	0	0	108.2	E30 I45 V78 L90 I91 V92	E30-L81 HydrophobicContact CB-CB 3.76Å; I45-L81 HydrophobicContact CD1-CD2 3.85Å; I45-L81 HydrophobicContact CG1-CD2 4.4Å; V78-L81 HydrophobicContact CG1-CD1 4.42Å; V78-L81 HydrophobicContact CG1-CD2 3.76Å; V78-L81 HydrophobicContact CG1-CG 3.96Å; L81-L90 HydrophobicContact CD2-CD2 3.99Å; L81-L90 HydrophobicContact CD2-CG 4.25Å; L81-I91 WeakPolarHBondContact CA-O 3.39Å; L81-V92 HydrophobicContact CD2-CB 4.12Å; L81-V92 HydrophobicContact CD2-CG1 3.87Å; L81-V92 HydrophobicContact CD2-CG2 3.7Å
82	R	93.8	Very high	90.4	Very high	45 Å²	45	44.5 Å²	44.5	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.3	169.5	-69.2	-68	178.6	-95.3	-7.7	111.5	E30 E80 I91 F125 V127	E30-R82 IonicContact OE2-NH1 2.75Å; E30-R82 PolarHBondContact OE2-NH1 3.06Å; E80-R82 IonicContact OE1-CZ 2.99Å; E80-R82 IonicContact OE1-NE 2.73Å; E80-R82 IonicContact OE1-NH1 2.77Å; E80-R82 IonicContact OE1-NH2 2.86Å; E80-R82 PolarHBondContact OE1-NH2 2.77Å; R82-I91 HydrophobicContact CB-CB 4.41Å; R82-I91 PolarHBondContact N-O 2.99Å; R82-I91 PolarHBondContact O-N 3.34Å; R82-F125 HydrophobicContact CB-CE2 3.63Å; R82-F125 HydrophobicContact CB-CZ 3.85Å; R82-F125 HydrophobicContact CG-CD2 4.35Å; R82-F125 HydrophobicContact CG-CE2 3.4Å; R82-F125 VanDerWaalsContact CG-CE2 3.4Å; R82-F125 HydrophobicContact CG-CZ 3.61Å; R82-V127 HydrophobicContact CB-CG2 4Å; R82-V127 HydrophobicContact CG-CG2 4.25Å
83	A	92.6	Very high	90.8	Very high	21 Å²	21	43.1 Å²	43.1	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.3	179.4	0	0	0	0	0	110.5	E30 C32 M103	E30-A83 VanDerWaalsContact CD-N 3.31Å; E30-A83 HydrophobicContact CG-CB 3.7Å; E30-A83 VanDerWaalsContact OE1-CB 3.32Å; E30-A83 WeakPolarHBondContact OE1-CB 3.43Å; E30-A83 PolarHBondContact OE1-N 2.52Å; C32-A83 HydrophobicContact CB-CB 3.76Å; A83-M103 HydrophobicContact CB-CE 3.22Å
84	A	91.2	Very high	91.3	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	75.4	166.3	0	0	0	0	0	108.3	A86 L87 E88 R89 I91 V139	A84-A86 VanDerWaalsContact C-N 3.34Å; A84-A86 PolarHBondContact O-N 2.9Å; A84-L87 HydrophobicContact CB-CB 4.35Å; A84-L87 HydrophobicContact CB-CD1 4.16Å; A84-L87 HydrophobicContact CB-CG 4.38Å; A84-L87 PolarHBondContact O-N 2.8Å; A84-E88 PolarHBondContact O-N 2.58Å; A84-R89 CarbonylContact C-O 3.54Å; A84-R89 WeakPolarHBondContact CA-O 3.31Å; A84-R89 HydrophobicContact CB-CB 4.49Å; A84-R89 WeakPolarHBondContact CB-O 3.48Å; A84-R89 PolarHBondContact N-O 2.86Å; A84-R89 PolarHBondContact O-N 3.42Å; A84-I91 HydrophobicContact CB-CD1 4.38Å; A84-V139 HydrophobicContact CB-CG2 3.92Å
85	S	88.6	Confident	91.5	Very high	64 Å²	64	41.8 Å²	41.8	45%	0.448	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-59.7	-39.1	-170	58.9	0	0	0	0	113.7	C32 L87 E88	C32-S85 WeakPolarHBondContact SG-CB 3.46Å; S85-L87 PolarHBondContact O-N 2.84Å; S85-L87 VanDerWaalsContact O-N 3.16Å; S85-E88 PolarHBondContact O-N 3.19Å; S85-E88 VanDerWaalsContact O-N 3.11Å
86	A	86.2	Confident	91.8	Very high	70 Å²	70	33.6 Å²	33.6	58%	0.579	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-62.2	-20	176	0	0	0	0	0	113.9	A84	A84-A86 VanDerWaalsContact C-N 3.34Å; A84-A86 PolarHBondContact O-N 2.9Å
87	L	87.8	Confident	91.8	Very high	11 Å²	11	29.5 Å²	29.5	6%	0.058	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-105.5	-4.2	179.4	-52.1	-179.6	0	0	0	112.6	A84 S85 R89 F137 V139 V156	A84-L87 HydrophobicContact CB-CB 4.35Å; A84-L87 HydrophobicContact CB-CD1 4.16Å; A84-L87 HydrophobicContact CB-CG 4.38Å; A84-L87 PolarHBondContact O-N 2.8Å; S85-L87 PolarHBondContact O-N 2.84Å; S85-L87 VanDerWaalsContact O-N 3.16Å; L87-R89 HydrophobicContact CB-CB 4.2Å; L87-R89 HydrophobicContact CB-CG 3.94Å; L87-R89 WeakPolarHBondContact O-CG 3.18Å; L87-R89 PolarHBondContact O-N 2.87Å; L87-F137 WeakPolarHBondContact CD2-O 3.3Å; L87-V139 HydrophobicContact CD1-CB 4.4Å; L87-V139 HydrophobicContact CD1-CG2 3.95Å; L87-V139 HydrophobicContact CG-CG2 4.28Å; L87-V156 HydrophobicContact CD1-CG1 4.08Å; L87-V156 WeakPolarHBondContact CD1-O 3.05Å
88	E	89.4	Confident	91.8	Very high	121 Å²	121	27.1 Å²	27.1	57%	0.565	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	34.5	-168.4	-56.7	-175.4	167.8	0	0	112.6	A84 S85 M103	A84-E88 PolarHBondContact O-N 2.58Å; S85-E88 PolarHBondContact O-N 3.19Å; S85-E88 VanDerWaalsContact O-N 3.11Å; E88-M103 PolarHBondContact O-N 2.73Å; E88-M103 VanDerWaalsContact O-N 3.1Å
89	R	91.6	Very high	91.7	Very high	24 Å²	24	27.6 Å²	27.6	9%	0.091	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.9	-179.8	-59.8	-51.3	173.7	-125.6	1.1	111.9	A84 L87 V101 D102 M103 E158	A84-R89 CarbonylContact C-O 3.54Å; A84-R89 WeakPolarHBondContact CA-O 3.31Å; A84-R89 HydrophobicContact CB-CB 4.49Å; A84-R89 WeakPolarHBondContact CB-O 3.48Å; A84-R89 PolarHBondContact N-O 2.86Å; A84-R89 PolarHBondContact O-N 3.42Å; L87-R89 HydrophobicContact CB-CB 4.2Å; L87-R89 HydrophobicContact CB-CG 3.94Å; L87-R89 WeakPolarHBondContact O-CG 3.18Å; L87-R89 PolarHBondContact O-N 2.87Å; R89-V101 CarbonylContact C-O 3.37Å; R89-V101 WeakPolarHBondContact CA-O 3.31Å; R89-D102 IonicContact NH1-OD2 3.13Å; R89-D102 PolarHBondContact NH1-OD2 3.22Å; R89-M103 VanDerWaalsContact O-CE 3.32Å; R89-M103 WeakPolarHBondContact O-CE 3.21Å; R89-E158 IonicContact CZ-OE1 3.83Å; R89-E158 PolarHBondContact NE-O 2.71Å; R89-E158 IonicContact NH2-OE1 2.83Å; R89-E158 PolarHBondContact NH2-OE1 3.17Å
90	L	92.8	Very high	91.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.3	169.1	-170.3	69.7	0	0	0	108.2	E30 Y37 I45 L81 V92 V101 M103 L106	E30-L90 HydrophobicContact CG-CD1 4.32Å; Y37-L90 HydrophobicContact CD1-CD2 3.85Å; Y37-L90 HydrophobicContact CD2-CD1 4.11Å; Y37-L90 HydrophobicContact CE1-CD2 4.4Å; Y37-L90 HydrophobicContact CG-CD1 4.15Å; Y37-L90 HydrophobicContact CG-CD2 4.02Å; I45-L90 HydrophobicContact CD1-CD2 4.12Å; I45-L90 HydrophobicContact CG2-CD2 4.18Å; L81-L90 HydrophobicContact CD2-CD2 3.99Å; L81-L90 HydrophobicContact CD2-CG 4.25Å; L90-V92 HydrophobicContact CD2-CG2 4.27Å; L90-V92 HydrophobicContact CG-CG2 4.17Å; L90-V101 HydrophobicContact CB-CB 4.44Å; L90-V101 PolarHBondContact N-O 3.16Å; L90-V101 PolarHBondContact O-N 2.98Å; L90-M103 HydrophobicContact CB-CG 4.12Å; L90-M103 HydrophobicContact CD1-CE 4.45Å; L90-L106 HydrophobicContact CD2-CD2 4.15Å
91	I	93.8	Very high	91.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.9	176.1	-53.4	172.3	0	0	0	107.4	L81 R82 A84 V98 L100 F125 V127 M141 V156	L81-I91 WeakPolarHBondContact CA-O 3.39Å; R82-I91 HydrophobicContact CB-CB 4.41Å; R82-I91 PolarHBondContact N-O 2.99Å; R82-I91 PolarHBondContact O-N 3.34Å; A84-I91 HydrophobicContact CB-CD1 4.38Å; I91-V98 HydrophobicContact CG2-CG1 3.49Å; I91-V98 VanDerWaalsContact CG2-CG1 3.49Å; I91-L100 HydrophobicContact CB-CD2 4.4Å; I91-L100 HydrophobicContact CG1-CD2 3.74Å; I91-F125 HydrophobicContact CB-CE2 3.91Å; I91-F125 HydrophobicContact CB-CZ 4.02Å; I91-F125 HydrophobicContact CG2-CD2 4.17Å; I91-F125 HydrophobicContact CG2-CE1 4.42Å; I91-F125 HydrophobicContact CG2-CE2 3.45Å; I91-F125 VanDerWaalsContact CG2-CE2 3.45Å; I91-F125 HydrophobicContact CG2-CZ 3.6Å; I91-V127 HydrophobicContact CD1-CG2 4.15Å; I91-M141 HydrophobicContact CD1-SD 4.14Å; I91-M141 HydrophobicContact CG2-SD 3.84Å; I91-V156 HydrophobicContact CD1-CG1 4.47Å; I91-V156 HydrophobicContact CD1-CG2 4.3Å
92	V	94.1	Very high	91.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.6	-172	-175.7	0	0	0	0	110.2	I45 L72 V78 L81 L90 C94 V98 F99 V101	I45-V92 HydrophobicContact CD1-CG1 4.08Å; I45-V92 HydrophobicContact CD1-CG2 3.73Å; L72-V92 HydrophobicContact CD1-CG1 3.9Å; V78-V92 HydrophobicContact CG1-CG1 3.94Å; L81-V92 HydrophobicContact CD2-CB 4.12Å; L81-V92 HydrophobicContact CD2-CG1 3.87Å; L81-V92 HydrophobicContact CD2-CG2 3.7Å; L90-V92 HydrophobicContact CD2-CG2 4.27Å; L90-V92 HydrophobicContact CG-CG2 4.17Å; V92-C94 HydrophobicContact CG1-CB 4.34Å; V92-V98 VanDerWaalsContact O-CA 3.3Å; V92-V98 WeakPolarHBondContact O-CA 3.34Å; V92-F99 HydrophobicContact CB-CE2 4.2Å; V92-F99 HydrophobicContact CB-CZ 4.2Å; V92-F99 HydrophobicContact CG1-CE1 4.36Å; V92-F99 HydrophobicContact CG1-CE2 4.41Å; V92-F99 HydrophobicContact CG1-CZ 3.99Å; V92-F99 PolarHBondContact N-O 2.88Å; V92-F99 PolarHBondContact O-N 2.98Å; V92-V101 HydrophobicContact CB-CG2 4.49Å; V92-V101 HydrophobicContact CG2-CB 4.03Å; V92-V101 HydrophobicContact CG2-CG2 3.69Å
93	L	94.4	Very high	91.1	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113	167.4	176.7	63.1	0	0	0	109.9	A79 E80 M97 V98 V122 F125	A79-L93 HydrophobicContact CB-CD2 4.16Å; A79-L93 HydrophobicContact CB-CG 4.13Å; A79-L93 PolarHBondContact N-O 3.31Å; E80-L93 HydrophobicContact CB-CB 4.02Å; E80-L93 HydrophobicContact CB-CD2 4.15Å; E80-L93 PolarHBondContact N-O 2.88Å; E80-L93 PolarHBondContact O-N 3.24Å; L93-M97 WeakPolarHBondContact CA-O 3.33Å; L93-V98 HydrophobicContact CB-CG2 4.28Å; L93-V98 HydrophobicContact CD1-CG2 3.77Å; L93-V122 HydrophobicContact CD1-CB 3.84Å; L93-V122 HydrophobicContact CD1-CG1 3.83Å; L93-V122 HydrophobicContact CD2-CG1 4.47Å; L93-F125 HydrophobicContact CB-CD1 3.89Å; L93-F125 HydrophobicContact CB-CE1 3.66Å; L93-F125 HydrophobicContact CD2-CD1 4.24Å
94	C	93.3	Very high	90.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	137.8	176	-174.5	0	0	0	0	110.2	L72 L74 K76 V92 G96 M97 F99	L72-C94 HydrophobicContact CD1-CB 4.45Å; L74-C94 HydrophobicContact CD1-CB 3.75Å; L74-C94 WeakPolarHBondContact CD1-SG 3.44Å; K76-C94 PolarHBondContact O-SG 2.8Å; V92-C94 HydrophobicContact CG1-CB 4.34Å; C94-G96 PolarHBondContact O-N 2.84Å; C94-M97 PolarHBondContact N-O 2.94Å; C94-M97 PolarHBondContact O-N 2.88Å; C94-F99 HydrophobicContact CB-CE1 4.14Å
95	D	89.9	Confident	90.9	Very high	57 Å²	57	30.1 Å²	30.1	31%	0.305	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.9	-175.7	-162.1	20.4	0	0	0	114.8	L74 K76 M97	L74-D95 HydrophobicContact CD1-CB 4.35Å; K76-D95 HydrophobicContact CB-CB 4.04Å; K76-D95 WeakPolarHBondContact CD-OD1 3.46Å; K76-D95 WeakPolarHBondContact CE-OD1 3.22Å; K76-D95 HydrophobicContact CG-CB 4.37Å; K76-D95 WeakPolarHBondContact CG-OD1 3.12Å; K76-D95 IonicContact NZ-OD1 2.62Å; K76-D95 PolarHBondContact NZ-OD1 2.86Å; D95-M97 HydrophobicContact CB-CE 4.35Å; D95-M97 PolarHBondContact O-N 2.81Å
96	G	89.8	Confident	91	Very high	29 Å²	29	27.1 Å²	27.1	30%	0.299	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	20.7	-178.4	0	0	0	0	0	113.9	C94 G121 V122	C94-G96 PolarHBondContact O-N 2.84Å; G96-G121 PolarHBondContact O-N 2.92Å; G96-V122 WeakPolarHBondContact CA-O 3.22Å; G96-V122 PolarHBondContact O-N 2.99Å
97	M	91.6	Very high	91.1	Very high	30 Å²	30	29 Å²	29	15%	0.148	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.9	174.2	-60.4	-175.4	-76.6	0	0	110.7	L74 L93 C94 D95 F99 I119 R120	L74-M97 HydrophobicContact CD1-CE 4.32Å; L74-M97 HydrophobicContact CD2-CE 3.93Å; L93-M97 WeakPolarHBondContact CA-O 3.33Å; C94-M97 PolarHBondContact N-O 2.94Å; C94-M97 PolarHBondContact O-N 2.88Å; D95-M97 HydrophobicContact CB-CE 4.35Å; D95-M97 PolarHBondContact O-N 2.81Å; M97-F99 HydrophobicContact CB-CD1 4.46Å; M97-I119 CarbonylContact C-O 3.57Å; M97-I119 WeakPolarHBondContact CA-O 3.29Å; M97-R120 HydrophobicContact CG-CG 4.04Å; M97-R120 HydrophobicContact SD-CG 4.16Å
98	V	92.4	Very high	91	Very high	4 Å²	4	32 Å²	32	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.1	168.3	175	0	0	0	0	109	I91 V92 L93 K118 I119 V122 F125 M141	I91-V98 HydrophobicContact CG2-CG1 3.49Å; I91-V98 VanDerWaalsContact CG2-CG1 3.49Å; V92-V98 VanDerWaalsContact O-CA 3.3Å; V92-V98 WeakPolarHBondContact O-CA 3.34Å; L93-V98 HydrophobicContact CB-CG2 4.28Å; L93-V98 HydrophobicContact CD1-CG2 3.77Å; V98-K118 CarbonylContact O-C 3.57Å; V98-K118 VanDerWaalsContact O-CA 3.26Å; V98-K118 WeakPolarHBondContact O-CA 3.38Å; V98-I119 HydrophobicContact CB-CB 4.26Å; V98-I119 HydrophobicContact CB-CD1 4.46Å; V98-I119 PolarHBondContact N-O 2.89Å; V98-I119 PolarHBondContact O-N 2.98Å; V98-V122 HydrophobicContact CB-CG2 4.4Å; V98-V122 HydrophobicContact CG2-CB 3.91Å; V98-V122 HydrophobicContact CG2-CG1 3.65Å; V98-V122 HydrophobicContact CG2-CG2 3.82Å; V98-F125 HydrophobicContact CG2-CD1 4.08Å; V98-F125 HydrophobicContact CG2-CG 4.41Å; V98-M141 HydrophobicContact CG1-CE 4.14Å; V98-M141 HydrophobicContact CG1-SD 4.24Å
99	F	91.1	Very high	90.7	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.039	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	164.1	176.3	60.5	-87.6	0	0	0	111.9	L72 L74 V92 C94 M97 V101 A117 K118	L72-F99 HydrophobicContact CD1-CZ 4.16Å; L72-F99 HydrophobicContact CD2-CE2 4.48Å; L74-F99 HydrophobicContact CD1-CE1 4.02Å; L74-F99 HydrophobicContact CD1-CZ 4.26Å; V92-F99 HydrophobicContact CB-CE2 4.2Å; V92-F99 HydrophobicContact CB-CZ 4.2Å; V92-F99 HydrophobicContact CG1-CE1 4.36Å; V92-F99 HydrophobicContact CG1-CE2 4.41Å; V92-F99 HydrophobicContact CG1-CZ 3.99Å; V92-F99 PolarHBondContact N-O 2.88Å; V92-F99 PolarHBondContact O-N 2.98Å; C94-F99 HydrophobicContact CB-CE1 4.14Å; M97-F99 HydrophobicContact CB-CD1 4.46Å; F99-V101 HydrophobicContact CD2-CG2 3.87Å; F99-V101 HydrophobicContact CE2-CG2 3.61Å; F99-A117 WeakPolarHBondContact CA-O 3.47Å; F99-K118 HydrophobicContact CB-CB 4.37Å; F99-K118 HydrophobicContact CB-CD 4.25Å; F99-K118 HydrophobicContact CB-CG 3.78Å
100	L	90.9	Very high	89.7	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.1	-177.4	-55.6	179.1	0	0	0	111.7	I91 V109 V156 V161	I91-L100 HydrophobicContact CB-CD2 4.4Å; I91-L100 HydrophobicContact CG1-CD2 3.74Å; L100-V109 HydrophobicContact CB-CB 4.23Å; L100-V109 HydrophobicContact CB-CG2 4.02Å; L100-V109 PolarHBondContact O-N 2.9Å; L100-V156 HydrophobicContact CD1-CG1 3.93Å; L100-V156 HydrophobicContact CD2-CG1 3.7Å; L100-V156 HydrophobicContact CG-CG1 4.44Å; L100-V161 HydrophobicContact CD1-CG2 3.89Å; L100-V161 HydrophobicContact CG-CG2 4.23Å
101	V	91.1	Very high	88.2	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142	175.1	173.4	0	0	0	0	108.3	R89 L90 V92 F99 L106 E107	R89-V101 CarbonylContact C-O 3.37Å; R89-V101 WeakPolarHBondContact CA-O 3.31Å; L90-V101 HydrophobicContact CB-CB 4.44Å; L90-V101 PolarHBondContact N-O 3.16Å; L90-V101 PolarHBondContact O-N 2.98Å; V92-V101 HydrophobicContact CB-CG2 4.49Å; V92-V101 HydrophobicContact CG2-CB 4.03Å; V92-V101 HydrophobicContact CG2-CG2 3.69Å; F99-V101 HydrophobicContact CD2-CG2 3.87Å; F99-V101 HydrophobicContact CE2-CG2 3.61Å; V101-L106 HydrophobicContact CG1-CB 4.12Å; V101-L106 HydrophobicContact CG1-CD2 4.05Å; V101-L106 WeakPolarHBondContact CG1-O 3.14Å; V101-E107 CarbonylContact C-O 3.54Å; V101-E107 WeakPolarHBondContact CA-O 3.49Å
102	D	90.4	Very high	86.3	Confident	30 Å²	30	37.6 Å²	37.6	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	133.2	174.5	177.1	-86.5	0	0	0	110.9	R89 V104 T105 L106 E107	R89-D102 IonicContact NH1-OD2 3.13Å; R89-D102 PolarHBondContact NH1-OD2 3.22Å; D102-V104 VanDerWaalsContact C-N 3.27Å; D102-V104 PolarHBondContact O-N 3.45Å; D102-V104 PolarHBondContact OD1-N 3.29Å; D102-T105 VanDerWaalsContact CB-OG1 3.3Å; D102-T105 WeakPolarHBondContact CB-OG1 3.45Å; D102-T105 VanDerWaalsContact CG-OG1 3.29Å; D102-T105 PolarHBondContact OD1-N 3.23Å; D102-T105 PolarHBondContact OD1-OG1 2.86Å; D102-L106 WeakPolarHBondContact O-CA 3.16Å; D102-L106 PolarHBondContact O-N 2.99Å; D102-E107 PolarHBondContact N-O 3.29Å
103	M	90.6	Very high	84	Confident	13 Å²	13	42 Å²	42	6%	0.064	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.7	-173.5	-87.5	-179.5	153.6	0	0	114.6	Y37 A83 E88 R89 L90	Y37-M103 WeakPolarHBondContact CE1-O 3.41Å; Y37-M103 HydrophobicContact CE2-CE 4.48Å; Y37-M103 WeakPolarHBondContact OH-CB 3.41Å; Y37-M103 PolarHBondContact OH-O 2.83Å; A83-M103 HydrophobicContact CB-CE 3.22Å; E88-M103 PolarHBondContact O-N 2.73Å; E88-M103 VanDerWaalsContact O-N 3.1Å; R89-M103 VanDerWaalsContact O-CE 3.32Å; R89-M103 WeakPolarHBondContact O-CE 3.21Å; L90-M103 HydrophobicContact CB-CG 4.12Å; L90-M103 HydrophobicContact CD1-CE 4.45Å
104	V	88.8	Confident	81.5	Confident	92 Å²	92	45.8 Å²	45.8	56%	0.558	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-43.4	-174.7	-177.5	0	0	0	0	110.6	L68 D102	L68-V104 WeakPolarHBondContact CD2-O 3.3Å; D102-V104 VanDerWaalsContact C-N 3.27Å; D102-V104 PolarHBondContact O-N 3.45Å; D102-V104 PolarHBondContact OD1-N 3.29Å
105	T	89.6	Confident	79.2	Confident	68 Å²	68	48.2 Å²	48.2	42%	0.417	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-15.9	-174.1	62.8	0	0	0	0	113.3	L68 D102 E107	L68-T105 WeakPolarHBondContact CD1-O 3.41Å; D102-T105 VanDerWaalsContact CB-OG1 3.3Å; D102-T105 WeakPolarHBondContact CB-OG1 3.45Å; D102-T105 VanDerWaalsContact CG-OG1 3.29Å; D102-T105 PolarHBondContact OD1-N 3.23Å; D102-T105 PolarHBondContact OD1-OG1 2.86Å; T105-E107 PolarHBondContact O-N 2.85Å; T105-E107 PolarHBondContact OG1-N 3.18Å
106	L	90.3	Very high	77.4	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	35%	0.353	C	S	.	.			trans	54.8	25.7	-170.8	-62.7	179.1	0	0	0	113.6	Y37 I45 H47 L68 K70 L90 V101 D102	Y37-L106 HydrophobicContact CD1-CD2 4.1Å; Y37-L106 HydrophobicContact CE1-CD2 4.04Å; I45-L106 HydrophobicContact CB-CD1 4.14Å; I45-L106 HydrophobicContact CG2-CD1 3.92Å; I45-L106 HydrophobicContact CG2-CD2 3.88Å; H47-L106 HydrophobicContact CB-CD1 4.16Å; L68-L106 HydrophobicContact CD1-CB 3.77Å; L68-L106 HydrophobicContact CD1-CD1 3.61Å; L68-L106 HydrophobicContact CD1-CG 3.55Å; L68-L106 HydrophobicContact CG-CD1 3.84Å; L68-L106 HydrophobicContact CG-CG 4.17Å; K70-L106 HydrophobicContact CB-CB 3.73Å; K70-L106 HydrophobicContact CB-CD1 4.12Å; K70-L106 HydrophobicContact CG-CB 4.33Å; L90-L106 HydrophobicContact CD2-CD2 4.15Å; V101-L106 HydrophobicContact CG1-CB 4.12Å; V101-L106 HydrophobicContact CG1-CD2 4.05Å; V101-L106 WeakPolarHBondContact CG1-O 3.14Å; D102-L106 WeakPolarHBondContact O-CA 3.16Å; D102-L106 PolarHBondContact O-N 2.99Å
107	E	89	Confident	76.4	Confident	109 Å²	109	47.3 Å²	47.3	51%	0.509	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-89.5	143.5	175	-59	-152	139.4	0	0	111.9	K70 V101 D102 T105 V109	K70-E107 IonicContact NZ-OE1 2.7Å; K70-E107 PolarHBondContact NZ-OE1 2.92Å; K70-E107 VanDerWaalsContact NZ-OE1 3.13Å; V101-E107 CarbonylContact C-O 3.54Å; V101-E107 WeakPolarHBondContact CA-O 3.49Å; D102-E107 PolarHBondContact N-O 3.29Å; T105-E107 PolarHBondContact O-N 2.85Å; T105-E107 PolarHBondContact OG1-N 3.18Å; E107-V109 PolarHBondContact O-N 3.14Å
108	S	86.1	Confident	76	Confident	73 Å²	73	50.9 Å²	50.9	51%	0.51	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-69.1	130.2	178.4	60.8	0	0	0	0	110.4	P110	S108-P110 WeakPolarHBondContact O-CD 3.18Å
109	V	82.1	Confident	75.9	Confident	24 Å²	24	51.5 Å²	51.5	15%	0.145	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-69	120.2	177.8	-175.8	0	0	0	0	109.4	L100 E107	L100-V109 HydrophobicContact CB-CB 4.23Å; L100-V109 HydrophobicContact CB-CG2 4.02Å; L100-V109 PolarHBondContact O-N 2.9Å; E107-V109 PolarHBondContact O-N 3.14Å
110	P	71.6	Confident	75.8	Confident	106 Å²	106	60.7 Å²	60.7	69%	0.688	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-72	135.7	176.3	27.3	-30.7	0	0	0	110.4	S108 A112	S108-P110 WeakPolarHBondContact O-CD 3.18Å; P110-A112 PolarHBondContact O-N 3.34Å
111	S	61.6	Low	75.8	Confident	43 Å²	43	61.1 Å²	61.1	30%	0.301	40%	0.4	S	S	.	.			trans	-73.3	112.6	174.4	174.3	0	0	0	0	110.2	A113 G115	S111-A113 PolarHBondContact O-N 2.74Å; S111-G115 WeakPolarHBondContact CB-O 3.32Å; S111-G115 PolarHBondContact OG-O 3.04Å
112	A	54.3	Low	75.8	Confident	90 Å²	90	61.5 Å²	61.5	74%	0.744	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.4	-178.8	0	0	0	0	0	114.2	P110	P110-A112 PolarHBondContact O-N 3.34Å
113	A	45.6	Very low	75.9	Confident	93 Å²	93	63.2 Å²	63.2	77%	0.769	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	13.4	-167.5	0	0	0	0	0	115.5	S111 G115	S111-A113 PolarHBondContact O-N 2.74Å; A113-G115 PolarHBondContact O-N 2.92Å
114	G	42.1	Very low	76	Confident	84 Å²	84	63.6 Å²	63.6	87%	0.866	42%	0.419	S	S	*	.	S	Bend	trans	68.9	-5.1	177.9	0	0	0	0	0	115.9
115	G	44.1	Very low	76.3	Confident	51 Å²	51	59.4 Å²	59.4	53%	0.526	39%	0.394	S	S	.	.	S	Bend	trans	-94	123.9	166.9	0	0	0	0	0	110.4	S111 A113 A117	S111-G115 WeakPolarHBondContact CB-O 3.32Å; S111-G115 PolarHBondContact OG-O 3.04Å; A113-G115 PolarHBondContact O-N 2.92Å; G115-A117 PolarHBondContact O-N 3.09Å
116	G	53.3	Low	76.5	Confident	58 Å²	58	56.8 Å²	56.8	60%	0.598	38%	0.378	S	S	*	.			trans	-57.1	123.7	-164	0	0	0	0	0	115.6	K118	G116-K118 PolarHBondContact O-N 3.03Å
117	A	67.4	Low	76.6	Confident	10 Å²	10	58.3 Å²	58.3	8%	0.083	39%	0.387	C	S	.	.	S	Bend	trans	-66.1	7.7	161.1	0	0	0	0	0	113.1	F99 G115	F99-A117 WeakPolarHBondContact CA-O 3.47Å; G115-A117 PolarHBondContact O-N 3.09Å
118	K	84.1	Confident	76.8	Confident	104 Å²	104	53.4 Å²	53.4	45%	0.452	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.4	-176.4	-53.1	-159.8	173.9	-177.9	0	110.1	V98 F99 G116	V98-K118 CarbonylContact O-C 3.57Å; V98-K118 VanDerWaalsContact O-CA 3.26Å; V98-K118 WeakPolarHBondContact O-CA 3.38Å; F99-K118 HydrophobicContact CB-CB 4.37Å; F99-K118 HydrophobicContact CB-CD 4.25Å; F99-K118 HydrophobicContact CB-CG 3.78Å; G116-K118 PolarHBondContact O-N 3.03Å
119	I	88.9	Confident	76.8	Confident	17 Å²	17	55.4 Å²	55.4	9%	0.087	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125	172.5	-50.3	171.2	0	0	0	107.3	M97 V98 V122 M141 V143 Y154 V161	M97-I119 CarbonylContact C-O 3.57Å; M97-I119 WeakPolarHBondContact CA-O 3.29Å; V98-I119 HydrophobicContact CB-CB 4.26Å; V98-I119 HydrophobicContact CB-CD1 4.46Å; V98-I119 PolarHBondContact N-O 2.89Å; V98-I119 PolarHBondContact O-N 2.98Å; I119-V122 HydrophobicContact CB-CG2 4.16Å; I119-V122 HydrophobicContact CG2-CG2 3.74Å; I119-M141 HydrophobicContact CD1-CE 3.84Å; I119-V143 HydrophobicContact CD1-CG2 4.21Å; I119-V143 HydrophobicContact CG2-CG1 4.41Å; I119-Y154 HydrophobicContact CD1-CD1 3.92Å; I119-Y154 HydrophobicContact CD1-CD2 3.89Å; I119-Y154 HydrophobicContact CD1-CE1 3.86Å; I119-Y154 HydrophobicContact CD1-CE2 3.82Å; I119-Y154 HydrophobicContact CD1-CG 3.94Å; I119-Y154 HydrophobicContact CG1-CE1 4.23Å; I119-Y154 HydrophobicContact CG2-CE2 4.29Å; I119-V161 HydrophobicContact CD1-CG1 3.99Å
120	R	90.4	Very high	77.2	Confident	202 Å²	202	56.4 Å²	56.4	76%	0.762	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	150	-177.6	-62	-171.6	178	176.3	0.8	111.7	M97	M97-R120 HydrophobicContact CG-CG 4.04Å; M97-R120 HydrophobicContact SD-CG 4.16Å
121	G	89.9	Confident	77.9	Confident	14 Å²	14	54.1 Å²	54.1	14%	0.144	36%	0.355	C	S	.	.	S	Bend	trans	76.4	44.9	178.3	0	0	0	0	0	111.5	G96 S145 S146	G96-G121 PolarHBondContact O-N 2.92Å; G121-S145 CarbonylContact O-C 3.51Å; G121-S145 WeakPolarHBondContact O-CA 3.49Å; G121-S146 VanDerWaalsContact C-OG 3.26Å; G121-S146 VanDerWaalsContact CA-OG 3.25Å; G121-S146 WeakPolarHBondContact CA-OG 3.43Å; G121-S146 PolarHBondContact O-N 2.91Å; G121-S146 PolarHBondContact O-OG 3.32Å; G121-S146 VanDerWaalsContact O-OG 3.14Å
122	V	92.7	Very high	79.1	Confident	8 Å²	8	54.5 Å²	54.5	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.2	178.5	179.8	0	0	0	0	109.9	L93 G96 V98 I119 A124 V143 L144	L93-V122 HydrophobicContact CD1-CB 3.84Å; L93-V122 HydrophobicContact CD1-CG1 3.83Å; L93-V122 HydrophobicContact CD2-CG1 4.47Å; G96-V122 WeakPolarHBondContact CA-O 3.22Å; G96-V122 PolarHBondContact O-N 2.99Å; V98-V122 HydrophobicContact CB-CG2 4.4Å; V98-V122 HydrophobicContact CG2-CB 3.91Å; V98-V122 HydrophobicContact CG2-CG1 3.65Å; V98-V122 HydrophobicContact CG2-CG2 3.82Å; I119-V122 HydrophobicContact CB-CG2 4.16Å; I119-V122 HydrophobicContact CG2-CG2 3.74Å; V122-A124 WeakPolarHBondContact CG1-O 3.42Å; V122-V143 HydrophobicContact CB-CG1 4.07Å; V122-V143 HydrophobicContact CG1-CG1 3.57Å; V122-V143 HydrophobicContact CG2-CG1 3.43Å; V122-V143 VanDerWaalsContact CG2-CG1 3.43Å; V122-L144 WeakPolarHBondContact CA-O 3.43Å
123	T	91.4	Very high	80.3	Confident	66 Å²	66	53.3 Å²	53.3	41%	0.405	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-45.8	172.2	50.1	0	0	0	0	112.5	L144 S146	T123-L144 PolarHBondContact N-O 3.19Å; T123-L144 WeakPolarHBondContact OG1-CB 3.48Å; T123-L144 PolarHBondContact OG1-O 3.31Å; T123-S146 VanDerWaalsContact CG2-CB 3.48Å
124	A	92.6	Very high	81.7	Confident	22 Å²	22	52.5 Å²	52.5	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	163	177.4	0	0	0	0	0	109.5	V122 L144	V122-A124 WeakPolarHBondContact CG1-O 3.42Å; A124-L144 HydrophobicContact CB-CD1 4.2Å; A124-L144 PolarHBondContact O-N 2.85Å
125	F	94.8	Very high	83.7	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.1	174	77	-82.2	0	0	0	111.4	E80 R82 I91 L93 V98 M141 G142 V143	E80-F125 HydrophobicContact CB-CD1 4.31Å; E80-F125 HydrophobicContact CB-CE1 3.76Å; E80-F125 HydrophobicContact CG-CD1 4.16Å; E80-F125 HydrophobicContact CG-CE1 3.59Å; E80-F125 HydrophobicContact CG-CZ 4.1Å; E80-F125 WeakPolarHBondContact OE2-CD1 3.27Å; E80-F125 PolarHBondContact OE2-N 3.13Å; R82-F125 HydrophobicContact CB-CE2 3.63Å; R82-F125 HydrophobicContact CB-CZ 3.85Å; R82-F125 HydrophobicContact CG-CD2 4.35Å; R82-F125 HydrophobicContact CG-CE2 3.4Å; R82-F125 VanDerWaalsContact CG-CE2 3.4Å; R82-F125 HydrophobicContact CG-CZ 3.61Å; I91-F125 HydrophobicContact CB-CE2 3.91Å; I91-F125 HydrophobicContact CB-CZ 4.02Å; I91-F125 HydrophobicContact CG2-CD2 4.17Å; I91-F125 HydrophobicContact CG2-CE1 4.42Å; I91-F125 HydrophobicContact CG2-CE2 3.45Å; I91-F125 VanDerWaalsContact CG2-CE2 3.45Å; I91-F125 HydrophobicContact CG2-CZ 3.6Å; L93-F125 HydrophobicContact CB-CD1 3.89Å; L93-F125 HydrophobicContact CB-CE1 3.66Å; L93-F125 HydrophobicContact CD2-CD1 4.24Å; V98-F125 HydrophobicContact CG2-CD1 4.08Å; V98-F125 HydrophobicContact CG2-CG 4.41Å; F125-M141 HydrophobicContact CB-CG 4.39Å; F125-M141 HydrophobicContact CB-SD 4.25Å; F125-M141 HydrophobicContact CD2-CG 3.86Å; F125-M141 HydrophobicContact CD2-SD 3.4Å; F125-M141 WeakPolarHBondContact CD2-SD 3.25Å; F125-M141 HydrophobicContact CE2-SD 3.99Å; F125-M141 HydrophobicContact CG-SD 4.08Å; F125-G142 CarbonylContact C-O 3.6Å; F125-G142 WeakPolarHBondContact CA-O 3.45Å; F125-G142 WeakPolarHBondContact CB-O 3.42Å; F125-V143 HydrophobicContact CB-CG2 4.23Å
126	C	93.9	Very high	85.5	Confident	13 Å²	13	53 Å²	53	9%	0.088	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155.9	170.8	67.7	0	0	0	0	110.9	M141 G142 V176	C126-M141 CarbonylContact O-C 3.52Å; C126-M141 VanDerWaalsContact O-CA 3.3Å; C126-M141 WeakPolarHBondContact O-CA 3.39Å; C126-M141 WeakPolarHBondContact O-CG 3.47Å; C126-G142 PolarHBondContact N-O 3.14Å; C126-G142 PolarHBondContact O-N 2.77Å; C126-V176 WeakPolarHBondContact CB-O 3.25Å; C126-V176 PolarHBondContact SG-O 3.06Å
127	V	93.2	Very high	87	Confident	34 Å²	34	57.2 Å²	57.2	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.7	176.5	171.8	0	0	0	0	108.7	R82 I91 E129 V139	R82-V127 HydrophobicContact CB-CG2 4Å; R82-V127 HydrophobicContact CG-CG2 4.25Å; I91-V127 HydrophobicContact CD1-CG2 4.15Å; V127-E129 PolarHBondContact O-N 3.08Å; V127-V139 HydrophobicContact CB-CG1 4.35Å; V127-V139 HydrophobicContact CG1-CG1 3.33Å; V127-V139 HydrophobicContact CG2-CG1 4.16Å
128	N	92.1	Very high	88.1	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.027	32%	0.315	C	S	.	.			trans	-83.2	109.4	172.7	-172.3	0.6	0	0	0	109.9	N130 E140 I178 D179 G180	N128-N130 PolarHBondContact ND2-O 3.02Å; N128-N130 VanDerWaalsContact ND2-O 3.08Å; N128-N130 PolarHBondContact O-N 3.11Å; N128-N130 WeakPolarHBondContact OD1-CA 3.32Å; N128-N130 PolarHBondContact OD1-N 2.85Å; N128-N130 PolarHBondContact OD1-O 3.22Å; N128-N130 VanDerWaalsContact OD1-O 3.08Å; N128-E140 HydrophobicContact CB-CB 4.1Å; N128-E140 HydrophobicContact CB-CG 4.29Å; N128-E140 PolarHBondContact N-O 2.85Å; N128-E140 PolarHBondContact ND2-OE2 2.98Å; N128-I178 HydrophobicContact CB-CB 4.09Å; N128-I178 HydrophobicContact CB-CG2 3.8Å; N128-I178 WeakPolarHBondContact ND2-CG2 3.39Å; N128-I178 PolarHBondContact OD1-O 2.89Å; N128-D179 WeakPolarHBondContact OD1-CA 3.43Å; N128-G180 PolarHBondContact ND2-N 2.91Å; N128-G180 PolarHBondContact ND2-O 2.89Å; N128-G180 VanDerWaalsContact ND2-O 3.14Å; N128-G180 PolarHBondContact OD1-N 3.48Å
129	E	86.6	Confident	88.4	Confident	116 Å²	116	53.4 Å²	53.4	54%	0.542	30%	0.3	S	S	.	.	S	Bend	trans	-74.2	-11.9	176.9	-66.7	178	-175.1	0	0	113.3	V127 R218	V127-E129 PolarHBondContact O-N 3.08Å; E129-R218 IonicContact OE2-CZ 3.93Å; E129-R218 IonicContact OE2-NH1 3.31Å; E129-R218 PolarHBondContact OE2-NH1 2.77Å
130	N	89.9	Confident	88.6	Confident	45 Å²	45	53 Å²	53	24%	0.241	30%	0.297	C	S	.	.	S	Bend	trans	-125.9	68.4	174	-175	33.5	0	0	0	108.8	N128 D179 G180	N128-N130 PolarHBondContact ND2-O 3.02Å; N128-N130 VanDerWaalsContact ND2-O 3.08Å; N128-N130 PolarHBondContact O-N 3.11Å; N128-N130 WeakPolarHBondContact OD1-CA 3.32Å; N128-N130 PolarHBondContact OD1-N 2.85Å; N128-N130 PolarHBondContact OD1-O 3.22Å; N128-N130 VanDerWaalsContact OD1-O 3.08Å; N130-D179 WeakPolarHBondContact CB-OD1 3.04Å; N130-D179 PolarHBondContact ND2-OD1 2.85Å; N130-D179 PolarHBondContact ND2-OD2 3.45Å; N130-D179 VanDerWaalsContact ND2-OD2 3.08Å; N130-G180 WeakPolarHBondContact O-CA 3.21Å; N130-G180 PolarHBondContact O-N 3.49Å
131	P	87.1	Confident	88.8	Confident	57 Å²	57	43.4 Å²	43.4	37%	0.37	26%	0.261	S	S	.	.			trans	-63.1	143.3	-173.2	27.9	-35.1	0	0	0	110.8	N133 E140	P131-N133 VanDerWaalsContact C-N 3.35Å; P131-E140 HydrophobicContact CB-CB 4.2Å
132	V	86.4	Confident	88.9	Confident	51 Å²	51	42.7 Å²	42.7	31%	0.309	25%	0.254	S	S	.	.	S	Bend	trans	-70.5	-37.4	174.8	167.8	0	0	0	0	111.3	G180 Y181 Y196	V132-G180 WeakPolarHBondContact CG2-O 3.4Å; V132-Y181 HydrophobicContact CB-CD1 4.45Å; V132-Y181 HydrophobicContact CB-CE1 4.05Å; V132-Y181 HydrophobicContact CG1-CD1 4.17Å; V132-Y181 HydrophobicContact CG1-CE1 3.33Å; V132-Y181 HydrophobicContact CG1-CE2 3.85Å; V132-Y181 WeakPolarHBondContact CG1-OH 3.49Å; V132-Y181 HydrophobicContact CG2-CD1 3.56Å; V132-Y181 HydrophobicContact CG2-CD2 3.91Å; V132-Y181 HydrophobicContact CG2-CE1 3.63Å; V132-Y181 HydrophobicContact CG2-CE2 3.93Å; V132-Y181 HydrophobicContact CG2-CG 3.75Å; V132-Y196 VanDerWaalsContact CG2-OH 3.22Å; V132-Y196 WeakPolarHBondContact CG2-OH 3.41Å
133	N	79.7	Confident	89	Confident	65 Å²	65	42.4 Å²	42.4	35%	0.348	25%	0.252	S	S	.	.	S	Bend	trans	-78.6	124.4	175.4	-169.7	-2.7	0	0	0	109.3	P131 D135 M155	P131-N133 VanDerWaalsContact C-N 3.35Å; N133-D135 PolarHBondContact O-N 2.79Å; N133-D135 PolarHBondContact OD1-N 3.35Å; N133-M155 HydrophobicContact CB-CE 3.96Å
134	G	75.4	Confident	89.2	Confident	76 Å²	76	39.2 Å²	39.2	78%	0.784	23%	0.233	S	C	*	.			trans	-81.1	7.7	179	0	0	0	0	0	114.7	P136	G134-P136 WeakPolarHBondContact O-CD 3.35Å
135	D	84.7	Confident	89.1	Confident	55 Å²	55	38.7 Å²	38.7	29%	0.294	23%	0.228	S	C	.	.			trans	-73.2	113.9	177.5	-179.1	1.8	0	0	0	111	N133 F137 C138	N133-D135 PolarHBondContact O-N 2.79Å; N133-D135 PolarHBondContact OD1-N 3.35Å; D135-F137 PolarHBondContact O-N 2.82Å; D135-F137 PolarHBondContact OD1-N 2.79Å; D135-C138 PolarHBondContact O-SG 2.74Å
136	P	80.9	Confident	88.6	Confident	90 Å²	90	41.3 Å²	41.3	58%	0.584	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.9	-177.4	31	-36	0	0	0	113.9	G134 C138	G134-P136 WeakPolarHBondContact O-CD 3.35Å; P136-C138 VanDerWaalsContact C-N 3.35Å
137	F	85.6	Confident	88	Confident	148 Å²	148	49.4 Å²	49.4	65%	0.649	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	19.7	-178.2	-57.6	-74.5	0	0	0	113.2	L87 D135	L87-F137 WeakPolarHBondContact CD2-O 3.3Å; D135-F137 PolarHBondContact O-N 2.82Å; D135-F137 PolarHBondContact OD1-N 2.79Å
138	C	88.9	Confident	87.5	Confident	11 Å²	11	54.4 Å²	54.4	7%	0.074	30%	0.296	C	S	.	.			trans	-147.6	157.9	175.6	67.7	0	0	0	0	111.6	D135 P136 M155 V156 Y157	D135-C138 PolarHBondContact O-SG 2.74Å; P136-C138 VanDerWaalsContact C-N 3.35Å; C138-M155 HydrophobicContact CB-CE 3.95Å; C138-M155 WeakPolarHBondContact SG-CE 3.25Å; C138-V156 CarbonylContact C-O 3.56Å; C138-V156 VanDerWaalsContact CA-O 3.22Å; C138-V156 WeakPolarHBondContact CA-O 3.37Å; C138-V156 WeakPolarHBondContact CB-O 3.49Å; C138-Y157 HydrophobicContact CB-CD1 3.71Å; C138-Y157 HydrophobicContact CB-CE1 3.6Å; C138-Y157 HydrophobicContact CB-CG 4.36Å
139	V	91.8	Very high	87.5	Confident	22 Å²	22	61.5 Å²	61.5	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.3	177.9	176.8	0	0	0	0	108.8	A84 L87 V127 V156	A84-V139 HydrophobicContact CB-CG2 3.92Å; L87-V139 HydrophobicContact CD1-CB 4.4Å; L87-V139 HydrophobicContact CD1-CG2 3.95Å; L87-V139 HydrophobicContact CG-CG2 4.28Å; V127-V139 HydrophobicContact CB-CG1 4.35Å; V127-V139 HydrophobicContact CG1-CG1 3.33Å; V127-V139 HydrophobicContact CG2-CG1 4.16Å; V139-V156 HydrophobicContact CB-CB 4.41Å; V139-V156 PolarHBondContact N-O 3.34Å; V139-V156 PolarHBondContact O-N 3.49Å
140	E	93.1	Very high	87.7	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.6	174.1	-173.6	175.1	-97.1	0	0	110	N128 P131 V153 Y154 M155 Y196	N128-E140 HydrophobicContact CB-CB 4.1Å; N128-E140 HydrophobicContact CB-CG 4.29Å; N128-E140 PolarHBondContact N-O 2.85Å; N128-E140 PolarHBondContact ND2-OE2 2.98Å; P131-E140 HydrophobicContact CB-CB 4.2Å; E140-V153 HydrophobicContact CG-CG1 3.66Å; E140-Y154 WeakPolarHBondContact CA-O 3.13Å; E140-M155 HydrophobicContact CB-CE 4.11Å; E140-M155 HydrophobicContact CB-SD 3.61Å; E140-M155 HydrophobicContact CG-SD 3.75Å; E140-Y196 PolarHBondContact OE1-OH 2.98Å; E140-Y196 PolarHBondContact OE2-OH 3.45Å; E140-Y196 VanDerWaalsContact OE2-OH 3.09Å
141	M	93.4	Very high	88	Confident	1 Å²	1	54 Å²	54	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.4	-174.6	177.4	-178.3	60.8	0	0	111	I91 V98 I119 F125 C126 V143 V153 Y154 V156	I91-M141 HydrophobicContact CD1-SD 4.14Å; I91-M141 HydrophobicContact CG2-SD 3.84Å; V98-M141 HydrophobicContact CG1-CE 4.14Å; V98-M141 HydrophobicContact CG1-SD 4.24Å; I119-M141 HydrophobicContact CD1-CE 3.84Å; F125-M141 HydrophobicContact CB-CG 4.39Å; F125-M141 HydrophobicContact CB-SD 4.25Å; F125-M141 HydrophobicContact CD2-CG 3.86Å; F125-M141 HydrophobicContact CD2-SD 3.4Å; F125-M141 WeakPolarHBondContact CD2-SD 3.25Å; F125-M141 HydrophobicContact CE2-SD 3.99Å; F125-M141 HydrophobicContact CG-SD 4.08Å; C126-M141 CarbonylContact O-C 3.52Å; C126-M141 VanDerWaalsContact O-CA 3.3Å; C126-M141 WeakPolarHBondContact O-CA 3.39Å; C126-M141 WeakPolarHBondContact O-CG 3.47Å; M141-V143 HydrophobicContact CE-CG2 3.61Å; M141-V143 HydrophobicContact CG-CG2 4.06Å; M141-V143 HydrophobicContact SD-CG2 4.09Å; M141-V153 CarbonylContact O-C 3.6Å; M141-V153 WeakPolarHBondContact O-CA 3.34Å; M141-Y154 PolarHBondContact N-O 2.75Å; M141-Y154 PolarHBondContact O-N 2.86Å; M141-V156 HydrophobicContact CB-CG2 4.12Å; M141-V156 HydrophobicContact CE-CG2 3.79Å; M141-V156 HydrophobicContact SD-CG2 4.39Å
142	G	93.6	Very high	88.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.6	168.7	0	0	0	0	0	111.9	F125 C126 I178	F125-G142 CarbonylContact C-O 3.6Å; F125-G142 WeakPolarHBondContact CA-O 3.45Å; F125-G142 WeakPolarHBondContact CB-O 3.42Å; C126-G142 PolarHBondContact N-O 3.14Å; C126-G142 PolarHBondContact O-N 2.77Å; G142-I178 VanDerWaalsContact CA-CD1 3.43Å
143	V	94.8	Very high	88.6	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.8	-178.2	179.5	0	0	0	0	109.8	I119 V122 F125 M141 Q152 Y154	I119-V143 HydrophobicContact CD1-CG2 4.21Å; I119-V143 HydrophobicContact CG2-CG1 4.41Å; V122-V143 HydrophobicContact CB-CG1 4.07Å; V122-V143 HydrophobicContact CG1-CG1 3.57Å; V122-V143 HydrophobicContact CG2-CG1 3.43Å; V122-V143 VanDerWaalsContact CG2-CG1 3.43Å; F125-V143 HydrophobicContact CB-CG2 4.23Å; M141-V143 HydrophobicContact CE-CG2 3.61Å; M141-V143 HydrophobicContact CG-CG2 4.06Å; M141-V143 HydrophobicContact SD-CG2 4.09Å; V143-Q152 HydrophobicContact CB-CB 4.46Å; V143-Q152 PolarHBondContact N-O 2.93Å; V143-Q152 PolarHBondContact O-N 2.88Å; V143-Y154 HydrophobicContact CB-CD2 4.03Å; V143-Y154 HydrophobicContact CB-CE2 4Å; V143-Y154 HydrophobicContact CG1-CE2 4.5Å; V143-Y154 HydrophobicContact CG2-CD2 3.62Å; V143-Y154 HydrophobicContact CG2-CE2 3.98Å
144	L	94.5	Very high	89.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.6	173.9	-59.9	-169.6	0	0	0	110.6	V122 T123 A124 V151 P173 V176	V122-L144 WeakPolarHBondContact CA-O 3.43Å; T123-L144 PolarHBondContact N-O 3.19Å; T123-L144 WeakPolarHBondContact OG1-CB 3.48Å; T123-L144 PolarHBondContact OG1-O 3.31Å; A124-L144 HydrophobicContact CB-CD1 4.2Å; A124-L144 PolarHBondContact O-N 2.85Å; L144-V151 HydrophobicContact CD2-CB 4.34Å; L144-V151 HydrophobicContact CD2-CG1 4.14Å; L144-V151 HydrophobicContact CD2-CG2 3.69Å; L144-P173 HydrophobicContact CD1-CB 4.04Å; L144-P173 HydrophobicContact CD1-CG 4.35Å; L144-P173 HydrophobicContact CD2-CB 3.8Å; L144-P173 HydrophobicContact CD2-CG 3.69Å; L144-P173 HydrophobicContact CG-CG 4.41Å; L144-V176 HydrophobicContact CD1-CB 4.31Å; L144-V176 HydrophobicContact CD1-CG1 3.92Å; L144-V176 HydrophobicContact CD2-CB 3.84Å; L144-V176 HydrophobicContact CD2-CG1 3.61Å; L144-V176 HydrophobicContact CG-CB 4.23Å; L144-V176 HydrophobicContact CG-CG1 3.58Å
145	S	91	Very high	90	Very high	11 Å²	11	44.8 Å²	44.8	8%	0.077	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.3	177.9	-176.5	0	0	0	0	111.3	G121 K147 R148 T150 Q172	G121-S145 CarbonylContact O-C 3.51Å; G121-S145 WeakPolarHBondContact O-CA 3.49Å; S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact OG-N 2.99Å; S145-R148 PolarHBondContact OG-N 2.79Å; S145-T150 WeakPolarHBondContact CB-OG1 3.34Å; S145-T150 PolarHBondContact N-O 2.81Å; S145-Q172 PolarHBondContact O-NE2 2.69Å
146	S	85.1	Confident	90.3	Very high	58 Å²	58	42.2 Å²	42.2	41%	0.406	20%	0.197	S	C	.	.	S	Bend	trans	-79.5	-16.4	175.8	70.1	0	0	0	0	113.7	G121 T123	G121-S146 VanDerWaalsContact C-OG 3.26Å; G121-S146 VanDerWaalsContact CA-OG 3.25Å; G121-S146 WeakPolarHBondContact CA-OG 3.43Å; G121-S146 PolarHBondContact O-N 2.91Å; G121-S146 PolarHBondContact O-OG 3.32Å; G121-S146 VanDerWaalsContact O-OG 3.14Å; T123-S146 VanDerWaalsContact CG2-CB 3.48Å
147	K	80.9	Confident	90.6	Very high	183 Å²	183	39.7 Å²	39.7	80%	0.796	18%	0.176	S	C	*	.	S	Bend	trans	-107.1	-16.5	-175.7	-64	-173.9	179.1	-177	0	113.3	S145	S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact OG-N 2.99Å
148	R	82	Confident	90.6	Very high	140 Å²	140	38 Å²	38	53%	0.528	17%	0.171	S	C	.	.	S	Bend	trans	-134.2	143.9	-174	-62	-176.9	178.7	-176.6	-2.9	108.6	S145 T150 E166	S145-R148 PolarHBondContact OG-N 2.79Å; R148-T150 HydrophobicContact CB-CG2 3.85Å; R148-T150 VanDerWaalsContact CB-OG1 3.31Å; R148-T150 WeakPolarHBondContact CB-OG1 3.28Å; R148-T150 PolarHBondContact O-N 3.06Å; R148-E166 IonicContact NH1-OE1 3.79Å; R148-E166 PolarHBondContact NH1-OE1 2.77Å; R148-E166 IonicContact NH1-OE2 3.76Å
149	R	91.1	Very high	90.1	Very high	153 Å²	153	40.9 Å²	40.9	58%	0.577	19%	0.185	S	C	*	.	S	Bend	trans	-75.2	64.2	171.3	-59.6	179.3	-173.6	-177	2.6	109.3	T169 P170	R149-T169 PolarHBondContact O-N 2.79Å; R149-T169 PolarHBondContact O-OG1 3.43Å; R149-T169 VanDerWaalsContact O-OG1 3.08Å; R149-P170 PolarHBondContact NH1-O 2.8Å
150	T	92.8	Very high	89.7	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.025	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.2	-171.1	58.7	0	0	0	0	111.8	S145 R148 E166 V167 N168	S145-T150 WeakPolarHBondContact CB-OG1 3.34Å; S145-T150 PolarHBondContact N-O 2.81Å; R148-T150 HydrophobicContact CB-CG2 3.85Å; R148-T150 VanDerWaalsContact CB-OG1 3.31Å; R148-T150 WeakPolarHBondContact CB-OG1 3.28Å; R148-T150 PolarHBondContact O-N 3.06Å; T150-E166 HydrophobicContact CG2-CG 4.09Å; T150-V167 CarbonylContact C-O 3.47Å; T150-V167 WeakPolarHBondContact CA-O 3.41Å; T150-V167 WeakPolarHBondContact CB-O 3.36Å; T150-N168 VanDerWaalsContact CG2-OD1 3.24Å; T150-N168 WeakPolarHBondContact CG2-OD1 3.31Å
151	V	94.5	Very high	89.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.6	163.5	-172.5	0	0	0	0	108.2	L144 V167 T169 P173 V176 L183 L185	L144-V151 HydrophobicContact CD2-CB 4.34Å; L144-V151 HydrophobicContact CD2-CG1 4.14Å; L144-V151 HydrophobicContact CD2-CG2 3.69Å; V151-V167 PolarHBondContact N-O 2.82Å; V151-V167 PolarHBondContact O-N 3.41Å; V151-T169 HydrophobicContact CG2-CG2 3.84Å; V151-P173 HydrophobicContact CG2-CG 4.32Å; V151-V176 HydrophobicContact CG1-CG2 4.5Å; V151-L183 HydrophobicContact CB-CD1 4.06Å; V151-L183 HydrophobicContact CG1-CD1 3.93Å; V151-L183 HydrophobicContact CG2-CD1 4.33Å; V151-L185 HydrophobicContact CG2-CD1 4.05Å; V151-L185 HydrophobicContact CG2-CD2 3.8Å
152	Q	93.9	Very high	89.2	Confident	22 Å²	22	51.5 Å²	51.5	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.9	178.9	-69.4	179.3	-11.2	0	0	109.6	V143 Y154 L163 K165 E166	V143-Q152 HydrophobicContact CB-CB 4.46Å; V143-Q152 PolarHBondContact N-O 2.93Å; V143-Q152 PolarHBondContact O-N 2.88Å; Q152-Y154 HydrophobicContact CB-CD2 4.07Å; Q152-Y154 HydrophobicContact CB-CE2 3.43Å; Q152-Y154 VanDerWaalsContact CB-CE2 3.43Å; Q152-Y154 HydrophobicContact CG-CE2 4.44Å; Q152-Y154 PolarHBondContact OE1-OH 2.94Å; Q152-L163 HydrophobicContact CB-CD1 3.8Å; Q152-L163 HydrophobicContact CG-CD1 4.2Å; Q152-K165 CarbonylContact C-O 3.49Å; Q152-K165 WeakPolarHBondContact CA-O 3.42Å; Q152-E166 HydrophobicContact CG-CB 4.31Å; Q152-E166 HydrophobicContact CG-CG 3.91Å; Q152-E166 PolarHBondContact NE2-OE1 2.83Å; Q152-E166 VanDerWaalsContact NE2-OE1 3.08Å
153	V	93.8	Very high	89.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.1	176.5	-174.2	0	0	0	0	108.8	E140 M141 V164 K165 Y196	E140-V153 HydrophobicContact CG-CG1 3.66Å; M141-V153 CarbonylContact O-C 3.6Å; M141-V153 WeakPolarHBondContact O-CA 3.34Å; V153-V164 PolarHBondContact O-N 3.21Å; V153-K165 HydrophobicContact CB-CB 4.16Å; V153-K165 HydrophobicContact CG2-CB 4.41Å; V153-K165 PolarHBondContact N-O 2.82Å; V153-K165 PolarHBondContact O-N 2.76Å; V153-Y196 HydrophobicContact CG2-CD1 4.49Å; V153-Y196 HydrophobicContact CG2-CG 4.42Å
154	Y	92.4	Very high	88.9	Confident	28 Å²	28	59 Å²	59	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.6	179.7	-72.2	-94	0	0	0	111	I119 E140 M141 V143 Q152 V161 Q162 L163	I119-Y154 HydrophobicContact CD1-CD1 3.92Å; I119-Y154 HydrophobicContact CD1-CD2 3.89Å; I119-Y154 HydrophobicContact CD1-CE1 3.86Å; I119-Y154 HydrophobicContact CD1-CE2 3.82Å; I119-Y154 HydrophobicContact CD1-CG 3.94Å; I119-Y154 HydrophobicContact CG1-CE1 4.23Å; I119-Y154 HydrophobicContact CG2-CE2 4.29Å; E140-Y154 WeakPolarHBondContact CA-O 3.13Å; M141-Y154 PolarHBondContact N-O 2.75Å; M141-Y154 PolarHBondContact O-N 2.86Å; V143-Y154 HydrophobicContact CB-CD2 4.03Å; V143-Y154 HydrophobicContact CB-CE2 4Å; V143-Y154 HydrophobicContact CG1-CE2 4.5Å; V143-Y154 HydrophobicContact CG2-CD2 3.62Å; V143-Y154 HydrophobicContact CG2-CE2 3.98Å; Q152-Y154 HydrophobicContact CB-CD2 4.07Å; Q152-Y154 HydrophobicContact CB-CE2 3.43Å; Q152-Y154 VanDerWaalsContact CB-CE2 3.43Å; Q152-Y154 HydrophobicContact CG-CE2 4.44Å; Q152-Y154 PolarHBondContact OE1-OH 2.94Å; Y154-V161 HydrophobicContact CD1-CG1 3.7Å; Y154-V161 HydrophobicContact CG-CG1 4.1Å; Y154-Q162 CarbonylContact C-O 3.54Å; Y154-Q162 WeakPolarHBondContact CA-O 3.22Å; Y154-L163 HydrophobicContact CD1-CB 3.94Å; Y154-L163 HydrophobicContact CD1-CD1 4.29Å; Y154-L163 HydrophobicContact CD2-CD1 4.22Å; Y154-L163 HydrophobicContact CE1-CB 3.61Å; Y154-L163 HydrophobicContact CE1-CD1 3.94Å; Y154-L163 HydrophobicContact CE1-CG 4.34Å; Y154-L163 HydrophobicContact CE2-CD1 3.87Å; Y154-L163 HydrophobicContact CG-CD1 4.43Å
155	M	91.1	Very high	88.8	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.2	163.4	-60.7	-59	-60	0	0	108.7	N133 C138 E140 Y157 Q162 V164	N133-M155 HydrophobicContact CB-CE 3.96Å; C138-M155 HydrophobicContact CB-CE 3.95Å; C138-M155 WeakPolarHBondContact SG-CE 3.25Å; E140-M155 HydrophobicContact CB-CE 4.11Å; E140-M155 HydrophobicContact CB-SD 3.61Å; E140-M155 HydrophobicContact CG-SD 3.75Å; M155-Y157 HydrophobicContact CB-CE2 3.87Å; M155-Q162 PolarHBondContact N-O 3.3Å; M155-Q162 PolarHBondContact O-N 3.09Å; M155-V164 HydrophobicContact CB-CG2 4.25Å; M155-V164 HydrophobicContact CG-CB 4.5Å; M155-V164 HydrophobicContact CG-CG2 3.37Å
156	V	90.2	Very high	88.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123	178.4	-178	0	0	0	0	108	L87 I91 L100 C138 V139 M141 V161	L87-V156 HydrophobicContact CD1-CG1 4.08Å; L87-V156 WeakPolarHBondContact CD1-O 3.05Å; I91-V156 HydrophobicContact CD1-CG1 4.47Å; I91-V156 HydrophobicContact CD1-CG2 4.3Å; L100-V156 HydrophobicContact CD1-CG1 3.93Å; L100-V156 HydrophobicContact CD2-CG1 3.7Å; L100-V156 HydrophobicContact CG-CG1 4.44Å; C138-V156 CarbonylContact C-O 3.56Å; C138-V156 VanDerWaalsContact CA-O 3.22Å; C138-V156 WeakPolarHBondContact CA-O 3.37Å; C138-V156 WeakPolarHBondContact CB-O 3.49Å; V139-V156 HydrophobicContact CB-CB 4.41Å; V139-V156 PolarHBondContact N-O 3.34Å; V139-V156 PolarHBondContact O-N 3.49Å; M141-V156 HydrophobicContact CB-CG2 4.12Å; M141-V156 HydrophobicContact CE-CG2 3.79Å; M141-V156 HydrophobicContact SD-CG2 4.39Å; V156-V161 HydrophobicContact CG1-CG2 4.35Å; V156-V161 HydrophobicContact CG2-CG1 4.14Å; V156-V161 HydrophobicContact CG2-CG2 4.47Å
157	Y	88.5	Confident	89.3	Confident	38 Å²	38	64.3 Å²	64.3	15%	0.149	29%	0.289	C	S	.	.			trans	-110.2	177.3	171.5	-59.6	-91.1	0	0	0	109.1	C138 M155 D159 R160 Q162	C138-Y157 HydrophobicContact CB-CD1 3.71Å; C138-Y157 HydrophobicContact CB-CE1 3.6Å; C138-Y157 HydrophobicContact CB-CG 4.36Å; M155-Y157 HydrophobicContact CB-CE2 3.87Å; Y157-D159 VanDerWaalsContact C-N 3.3Å; Y157-D159 PolarHBondContact O-N 2.96Å; Y157-R160 HydrophobicContact CD2-CG 3.82Å; Y157-R160 HydrophobicContact CG-CG 4.15Å; Y157-R160 PolarHBondContact N-O 3.08Å; Y157-Q162 HydrophobicContact CE2-CB 4.31Å
158	E	84.6	Confident	89.9	Confident	113 Å²	113	61.7 Å²	61.7	53%	0.528	28%	0.284	S	S	.	.	S	Bend	trans	-58.5	-38.2	-178.8	-170.2	-174.3	167.5	0	0	113.6	R89	R89-E158 IonicContact CZ-OE1 3.83Å; R89-E158 PolarHBondContact NE-O 2.71Å; R89-E158 IonicContact NH2-OE1 2.83Å; R89-E158 PolarHBondContact NH2-OE1 3.17Å
159	D	79.9	Confident	90.4	Very high	70 Å²	70	55.6 Å²	55.6	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	-119.2	-9.8	-171.7	70.1	-28.1	0	0	0	114.5	Y157	Y157-D159 VanDerWaalsContact C-N 3.3Å; Y157-D159 PolarHBondContact O-N 2.96Å
160	R	82.3	Confident	90.3	Very high	126 Å²	126	51.8 Å²	51.8	48%	0.475	26%	0.257	S	S	.	.			trans	-147.3	158.9	-174.3	68.7	177.9	-178.3	-101.5	1.3	113.2	Y157	Y157-R160 HydrophobicContact CD2-CG 3.82Å; Y157-R160 HydrophobicContact CG-CG 4.15Å; Y157-R160 PolarHBondContact N-O 3.08Å
161	V	87.5	Confident	90.3	Very high	31 Å²	31	53.8 Å²	53.8	19%	0.188	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.7	173.9	-173.5	0	0	0	0	109	L100 I119 Y154 V156	L100-V161 HydrophobicContact CD1-CG2 3.89Å; L100-V161 HydrophobicContact CG-CG2 4.23Å; I119-V161 HydrophobicContact CD1-CG1 3.99Å; Y154-V161 HydrophobicContact CD1-CG1 3.7Å; Y154-V161 HydrophobicContact CG-CG1 4.1Å; V156-V161 HydrophobicContact CG1-CG2 4.35Å; V156-V161 HydrophobicContact CG2-CG1 4.14Å; V156-V161 HydrophobicContact CG2-CG2 4.47Å
162	Q	89.1	Confident	90.1	Very high	97 Å²	97	56.3 Å²	56.3	45%	0.453	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.9	-173.6	-179.2	178.5	-2.3	0	0	110.9	Y154 M155 Y157 V164	Y154-Q162 CarbonylContact C-O 3.54Å; Y154-Q162 WeakPolarHBondContact CA-O 3.22Å; M155-Q162 PolarHBondContact N-O 3.3Å; M155-Q162 PolarHBondContact O-N 3.09Å; Y157-Q162 HydrophobicContact CE2-CB 4.31Å; Q162-V164 PolarHBondContact O-N 2.7Å
163	L	90.7	Very high	90.1	Very high	76 Å²	76	55.3 Å²	55.3	40%	0.398	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	125.8	171.3	179.7	65.8	0	0	0	109.7	Q152 Y154	Q152-L163 HydrophobicContact CB-CD1 3.8Å; Q152-L163 HydrophobicContact CG-CD1 4.2Å; Y154-L163 HydrophobicContact CD1-CB 3.94Å; Y154-L163 HydrophobicContact CD1-CD1 4.29Å; Y154-L163 HydrophobicContact CD2-CD1 4.22Å; Y154-L163 HydrophobicContact CE1-CB 3.61Å; Y154-L163 HydrophobicContact CE1-CD1 3.94Å; Y154-L163 HydrophobicContact CE1-CG 4.34Å; Y154-L163 HydrophobicContact CE2-CD1 3.87Å; Y154-L163 HydrophobicContact CG-CD1 4.43Å
164	V	91.5	Very high	90	Very high	82 Å²	82	57.4 Å²	57.4	50%	0.497	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-43.7	177.7	171.6	0	0	0	0	111.8	V153 M155 Q162	V153-V164 PolarHBondContact O-N 3.21Å; M155-V164 HydrophobicContact CB-CG2 4.25Å; M155-V164 HydrophobicContact CG-CB 4.5Å; M155-V164 HydrophobicContact CG-CG2 3.37Å; Q162-V164 PolarHBondContact O-N 2.7Å
165	K	91.9	Very high	90	Very high	93 Å²	93	57 Å²	57	40%	0.404	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138.2	-176.9	-166.1	72.4	172.9	-169.3	0	110.9	Q152 V153 V167 Y196	Q152-K165 CarbonylContact C-O 3.49Å; Q152-K165 WeakPolarHBondContact CA-O 3.42Å; V153-K165 HydrophobicContact CB-CB 4.16Å; V153-K165 HydrophobicContact CG2-CB 4.41Å; V153-K165 PolarHBondContact N-O 2.82Å; V153-K165 PolarHBondContact O-N 2.76Å; K165-V167 HydrophobicContact CG-CG2 3.87Å; K165-Y196 WeakPolarHBondContact CE-O 3.45Å; K165-Y196 HydrophobicContact CG-CD2 4.46Å
166	E	93.8	Very high	90.2	Very high	73 Å²	73	57.4 Å²	57.4	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.2	166	-175.6	168.3	-158.2	0	0	107.7	R148 T150 Q152	R148-E166 IonicContact NH1-OE1 3.79Å; R148-E166 PolarHBondContact NH1-OE1 2.77Å; R148-E166 IonicContact NH1-OE2 3.76Å; T150-E166 HydrophobicContact CG2-CG 4.09Å; Q152-E166 HydrophobicContact CG-CB 4.31Å; Q152-E166 HydrophobicContact CG-CG 3.91Å; Q152-E166 PolarHBondContact NE2-OE1 2.83Å; Q152-E166 VanDerWaalsContact NE2-OE1 3.08Å
167	V	93.7	Very high	90.4	Very high	15 Å²	15	58 Å²	58	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.2	-173.6	-173.2	0	0	0	0	108.3	T150 V151 K165 L194	T150-V167 CarbonylContact C-O 3.47Å; T150-V167 WeakPolarHBondContact CA-O 3.41Å; T150-V167 WeakPolarHBondContact CB-O 3.36Å; V151-V167 PolarHBondContact N-O 2.82Å; V151-V167 PolarHBondContact O-N 3.41Å; K165-V167 HydrophobicContact CG-CG2 3.87Å; V167-L194 HydrophobicContact CG1-CD1 4.2Å; V167-L194 HydrophobicContact CG1-CD2 3.52Å
168	N	92.9	Very high	90.7	Very high	129 Å²	129	56.3 Å²	56.3	69%	0.69	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.7	176.4	-64.4	-42.1	0	0	0	110.6	T150	T150-N168 VanDerWaalsContact CG2-OD1 3.24Å; T150-N168 WeakPolarHBondContact CG2-OD1 3.31Å
169	T	91.8	Very high	91.2	Very high	12 Å²	12	50.9 Å²	50.9	7%	0.074	27%	0.265	C	S	.	.			trans	-112.9	151	173.5	55.2	0	0	0	0	109.9	R149 V151 E171 P173 L185	R149-T169 PolarHBondContact O-N 2.79Å; R149-T169 PolarHBondContact O-OG1 3.43Å; R149-T169 VanDerWaalsContact O-OG1 3.08Å; V151-T169 HydrophobicContact CG2-CG2 3.84Å; T169-E171 VanDerWaalsContact C-N 3.3Å; T169-E171 WeakPolarHBondContact CB-O 3.17Å; T169-E171 PolarHBondContact O-N 3.48Å; T169-E171 PolarHBondContact OG1-O 3.33Å; T169-P173 WeakPolarHBondContact OG1-CD 3.46Å; T169-L185 HydrophobicContact CG2-CD1 3.74Å
170	P	89.3	Confident	91.8	Very high	73 Å²	73	48 Å²	48	47%	0.474	25%	0.252	S	S	.	.	S	Bend	trans	-65.1	-37.2	-179.2	23.4	-30.8	0	0	0	111.9	R149 L187	R149-P170 PolarHBondContact NH1-O 2.8Å; P170-L187 HydrophobicContact CG-CD1 3.68Å
171	E	92.2	Very high	92.3	Very high	45 Å²	45	46.5 Å²	46.5	21%	0.21	25%	0.247	C	C	.	.	S	Bend	trans	-124.2	175.1	178.1	-62.3	-175.5	178.5	0	0	111.5	T169 P173 L187 T188 T189	T169-E171 VanDerWaalsContact C-N 3.3Å; T169-E171 WeakPolarHBondContact CB-O 3.17Å; T169-E171 PolarHBondContact O-N 3.48Å; T169-E171 PolarHBondContact OG1-O 3.33Å; E171-P173 WeakPolarHBondContact O-CD 3.47Å; E171-L187 HydrophobicContact CB-CB 4.07Å; E171-L187 HydrophobicContact CB-CD1 4.2Å; E171-T188 PolarHBondContact OE2-N 3.45Å; E171-T188 PolarHBondContact OE2-OG1 2.79Å; E171-T189 PolarHBondContact OE1-OG1 2.95Å; E171-T189 WeakPolarHBondContact OE2-CG2 3.49Å; E171-T189 PolarHBondContact OE2-N 3.28Å; E171-T189 PolarHBondContact OE2-OG1 3.18Å
172	Q	91.6	Very high	92.7	Very high	53 Å²	53	46.8 Å²	46.8	25%	0.248	25%	0.246	C	C	.	.			trans	-69	121.6	175.7	-176.1	62.5	39	0	0	109.7	S145 T188	S145-Q172 PolarHBondContact O-NE2 2.69Å; Q172-T188 HydrophobicContact CB-CG2 4.17Å; Q172-T188 PolarHBondContact O-N 3.28Å
173	P	93.1	Very high	92.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.9	174.7	30.6	-33.4	0	0	0	110.3	L144 V151 T169 E171 L187	L144-P173 HydrophobicContact CD1-CB 4.04Å; L144-P173 HydrophobicContact CD1-CG 4.35Å; L144-P173 HydrophobicContact CD2-CB 3.8Å; L144-P173 HydrophobicContact CD2-CG 3.69Å; L144-P173 HydrophobicContact CG-CG 4.41Å; V151-P173 HydrophobicContact CG2-CG 4.32Å; T169-P173 WeakPolarHBondContact OG1-CD 3.46Å; E171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-L187 HydrophobicContact CB-CD2 4.08Å
174	C	91.8	Very high	93.2	Very high	43 Å²	43	38.5 Å²	38.5	29%	0.291	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-37.1	178.5	-60.4	0	0	0	0	112	A186 P214	C174-A186 PolarHBondContact N-O 3.08Å; C174-P214 HydrophobicContact CB-CG 4.12Å
175	A	92.9	Very high	93.4	Very high	20 Å²	20	34.7 Å²	34.7	17%	0.165	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.8	176.1	0	0	0	0	0	111.3	A186 P214 V216	A175-A186 HydrophobicContact CB-CB 4.18Å; A175-A186 PolarHBondContact N-O 2.97Å; A175-A186 PolarHBondContact O-N 3.08Å; A175-P214 HydrophobicContact CB-CB 3.97Å; A175-P214 HydrophobicContact CB-CG 3.58Å; A175-V216 HydrophobicContact CB-CG2 4.16Å
176	V	94.5	Very high	93.5	Very high	14 Å²	14	30.3 Å²	30.3	9%	0.085	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	139.8	-177.8	55.8	0	0	0	0	111.2	C126 L144 V151 I178 C184 L185	C126-V176 WeakPolarHBondContact CB-O 3.25Å; C126-V176 PolarHBondContact SG-O 3.06Å; L144-V176 HydrophobicContact CD1-CB 4.31Å; L144-V176 HydrophobicContact CD1-CG1 3.92Å; L144-V176 HydrophobicContact CD2-CB 3.84Å; L144-V176 HydrophobicContact CD2-CG1 3.61Å; L144-V176 HydrophobicContact CG-CB 4.23Å; L144-V176 HydrophobicContact CG-CG1 3.58Å; V151-V176 HydrophobicContact CG1-CG2 4.5Å; V176-I178 HydrophobicContact CG2-CD1 4.39Å; V176-I178 HydrophobicContact CG2-CG1 3.98Å; V176-C184 WeakPolarHBondContact CA-O 3.12Å; V176-L185 HydrophobicContact CB-CD2 3.6Å; V176-L185 HydrophobicContact CG2-CD2 3.45Å; V176-L185 VanDerWaalsContact CG2-CD2 3.45Å
177	S	94.9	Very high	93.5	Very high	14 Å²	14	26.9 Å²	26.9	10%	0.098	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.8	164.9	-172.5	0	0	0	0	108.8	C184 V216 R218	S177-C184 PolarHBondContact N-O 2.81Å; S177-C184 PolarHBondContact O-N 2.94Å; S177-V216 VanDerWaalsContact CB-CG1 3.49Å; S177-R218 PolarHBondContact OG-N 3.4Å
178	I	94.6	Very high	93.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.6	-176.3	-54.2	-175.2	0	0	0	109.9	N128 G142 V176 F182 L183 Y196	N128-I178 HydrophobicContact CB-CB 4.09Å; N128-I178 HydrophobicContact CB-CG2 3.8Å; N128-I178 WeakPolarHBondContact ND2-CG2 3.39Å; N128-I178 PolarHBondContact OD1-O 2.89Å; G142-I178 VanDerWaalsContact CA-CD1 3.43Å; V176-I178 HydrophobicContact CG2-CD1 4.39Å; V176-I178 HydrophobicContact CG2-CG1 3.98Å; I178-F182 WeakPolarHBondContact CA-O 3.16Å; I178-L183 HydrophobicContact CB-CD2 4.3Å; I178-L183 HydrophobicContact CD1-CD2 3.42Å; I178-L183 VanDerWaalsContact CD1-CD2 3.42Å; I178-L183 HydrophobicContact CG1-CD2 3.44Å; I178-L183 VanDerWaalsContact CG1-CD2 3.44Å; I178-L183 HydrophobicContact CG2-CD2 4.04Å; I178-Y196 HydrophobicContact CG2-CE1 4.37Å
179	D	94.3	Very high	93.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	121.1	164.3	-176.4	87.7	0	0	0	109.2	N128 N130 Y181 F182 R218 E222 F224	N128-D179 WeakPolarHBondContact OD1-CA 3.43Å; N130-D179 WeakPolarHBondContact CB-OD1 3.04Å; N130-D179 PolarHBondContact ND2-OD1 2.85Å; N130-D179 PolarHBondContact ND2-OD2 3.45Å; N130-D179 VanDerWaalsContact ND2-OD2 3.08Å; D179-Y181 PolarHBondContact O-N 2.81Å; D179-F182 PolarHBondContact N-O 3.24Å; D179-F182 PolarHBondContact O-N 3.39Å; D179-R218 HydrophobicContact CB-CG 4.48Å; D179-R218 IonicContact OD1-CZ 3.91Å; D179-R218 IonicContact OD1-NE 3.51Å; D179-R218 PolarHBondContact OD1-NE 3.4Å; D179-R218 IonicContact OD1-NH2 2.71Å; D179-R218 PolarHBondContact OD1-NH2 3.37Å; D179-E222 VanDerWaalsContact CG-N 3.33Å; D179-E222 PolarHBondContact OD2-N 3.43Å; D179-F224 HydrophobicContact CB-CE1 4.22Å; D179-F224 HydrophobicContact CB-CZ 3.78Å
180	G	93.1	Very high	93.5	Very high	9 Å²	9	26.5 Å²	26.5	9%	0.093	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-124.9	-176.1	0	0	0	0	0	111.5	N128 N130 V132 Y196	N128-G180 PolarHBondContact ND2-N 2.91Å; N128-G180 PolarHBondContact ND2-O 2.89Å; N128-G180 VanDerWaalsContact ND2-O 3.14Å; N128-G180 PolarHBondContact OD1-N 3.48Å; N130-G180 WeakPolarHBondContact O-CA 3.21Å; N130-G180 PolarHBondContact O-N 3.49Å; V132-G180 WeakPolarHBondContact CG2-O 3.4Å; G180-Y196 VanDerWaalsContact O-CE1 3.3Å; G180-Y196 WeakPolarHBondContact O-CE1 3.24Å; G180-Y196 PolarHBondContact O-OH 3.25Å
181	Y	93.2	Very high	93.8	Very high	95 Å²	95	23 Å²	23	37%	0.373	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.1	177.6	-69.9	-70.3	0	0	0	114.4	V132 D179 N195 Y196 N197	V132-Y181 HydrophobicContact CB-CD1 4.45Å; V132-Y181 HydrophobicContact CB-CE1 4.05Å; V132-Y181 HydrophobicContact CG1-CD1 4.17Å; V132-Y181 HydrophobicContact CG1-CE1 3.33Å; V132-Y181 HydrophobicContact CG1-CE2 3.85Å; V132-Y181 WeakPolarHBondContact CG1-OH 3.49Å; V132-Y181 HydrophobicContact CG2-CD1 3.56Å; V132-Y181 HydrophobicContact CG2-CD2 3.91Å; V132-Y181 HydrophobicContact CG2-CE1 3.63Å; V132-Y181 HydrophobicContact CG2-CE2 3.93Å; V132-Y181 HydrophobicContact CG2-CG 3.75Å; D179-Y181 PolarHBondContact O-N 2.81Å; Y181-N195 CarbonylContact O-C 3.59Å; Y181-N195 VanDerWaalsContact O-CA 3.32Å; Y181-N195 WeakPolarHBondContact O-CA 3.34Å; Y181-Y196 VanDerWaalsContact CA-CE1 3.47Å; Y181-Y196 HydrophobicContact CD1-CD2 4.45Å; Y181-Y196 AromaticContact CD1-CE2 3.77Å; Y181-Y196 HydrophobicContact CD1-CE2 3.77Å; Y181-Y196 AromaticContact CD1-CZ 3.83Å; Y181-Y196 HydrophobicContact CE1-CE2 4.36Å; Y181-Y196 WeakPolarHBondContact O-CD1 3.39Å; Y181-Y196 PolarHBondContact O-N 2.92Å; Y181-N197 HydrophobicContact CD1-CB 3.45Å; Y181-N197 VanDerWaalsContact CD1-CB 3.45Å; Y181-N197 HydrophobicContact CE1-CB 3.77Å; Y181-N197 HydrophobicContact CG-CB 4.06Å
182	F	95.3	Very high	93.9	Very high	36 Å²	36	21 Å²	21	16%	0.158	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.4	-170.1	-59.9	-83	0	0	0	111.3	I178 D179 I193 N195 E222	I178-F182 WeakPolarHBondContact CA-O 3.16Å; D179-F182 PolarHBondContact N-O 3.24Å; D179-F182 PolarHBondContact O-N 3.39Å; F182-I193 HydrophobicContact CD1-CG2 4.29Å; F182-N195 HydrophobicContact CD1-CB 4Å; F182-N195 HydrophobicContact CE1-CB 4Å; F182-N195 VanDerWaalsContact CE1-ND2 3.3Å; F182-N195 WeakPolarHBondContact CE1-ND2 3.31Å; F182-E222 HydrophobicContact CD2-CG 4.07Å; F182-E222 HydrophobicContact CE2-CG 4.16Å
183	L	94.8	Very high	94.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.1	170.1	-50.9	-179.4	0	0	0	108.1	V151 I178 L185 I193 L194 Y196	V151-L183 HydrophobicContact CB-CD1 4.06Å; V151-L183 HydrophobicContact CG1-CD1 3.93Å; V151-L183 HydrophobicContact CG2-CD1 4.33Å; I178-L183 HydrophobicContact CB-CD2 4.3Å; I178-L183 HydrophobicContact CD1-CD2 3.42Å; I178-L183 VanDerWaalsContact CD1-CD2 3.42Å; I178-L183 HydrophobicContact CG1-CD2 3.44Å; I178-L183 VanDerWaalsContact CG1-CD2 3.44Å; I178-L183 HydrophobicContact CG2-CD2 4.04Å; L183-L185 HydrophobicContact CB-CD1 4.34Å; L183-L185 HydrophobicContact CB-CD2 4.26Å; L183-L185 HydrophobicContact CB-CG 4.07Å; L183-I193 CarbonylContact O-C 3.6Å; L183-I193 WeakPolarHBondContact O-CA 3.5Å; L183-L194 WeakPolarHBondContact CB-O 3.49Å; L183-L194 HydrophobicContact CD1-CD2 4.14Å; L183-L194 PolarHBondContact N-O 2.88Å; L183-L194 PolarHBondContact O-N 3.39Å; L183-Y196 HydrophobicContact CD1-CD1 4.42Å; L183-Y196 HydrophobicContact CD2-CD1 3.66Å; L183-Y196 HydrophobicContact CD2-CE1 4.23Å; L183-Y196 HydrophobicContact CG-CD1 3.84Å
184	C	95.9	Very high	94.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.8	163.6	-164.8	0	0	0	0	108.4	V176 S177 V216 F224 L226	V176-C184 WeakPolarHBondContact CA-O 3.12Å; S177-C184 PolarHBondContact N-O 2.81Å; S177-C184 PolarHBondContact O-N 2.94Å; C184-V216 HydrophobicContact CB-CG1 3.72Å; C184-V216 WeakPolarHBondContact O-CG1 3.41Å; C184-F224 HydrophobicContact CB-CB 4.22Å; C184-F224 HydrophobicContact CB-CD1 3.56Å; C184-F224 HydrophobicContact CB-CD2 3.84Å; C184-F224 HydrophobicContact CB-CE1 3.77Å; C184-F224 HydrophobicContact CB-CE2 4.05Å; C184-F224 HydrophobicContact CB-CG 3.59Å; C184-F224 HydrophobicContact CB-CZ 4.01Å; C184-L226 VanDerWaalsContact SG-CD2 3.57Å
185	L	95.2	Very high	94.3	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.6	-170.2	-61.7	173.5	0	0	0	110.6	V151 T169 V176 L183 L187 Y191 V192 L194	V151-L185 HydrophobicContact CG2-CD1 4.05Å; V151-L185 HydrophobicContact CG2-CD2 3.8Å; T169-L185 HydrophobicContact CG2-CD1 3.74Å; V176-L185 HydrophobicContact CB-CD2 3.6Å; V176-L185 HydrophobicContact CG2-CD2 3.45Å; V176-L185 VanDerWaalsContact CG2-CD2 3.45Å; L183-L185 HydrophobicContact CB-CD1 4.34Å; L183-L185 HydrophobicContact CB-CD2 4.26Å; L183-L185 HydrophobicContact CB-CG 4.07Å; L185-L187 HydrophobicContact CB-CD2 4.31Å; L185-Y191 WeakPolarHBondContact O-CA 3.32Å; L185-V192 PolarHBondContact N-O 3.34Å; L185-V192 PolarHBondContact O-N 3.38Å; L185-L194 HydrophobicContact CD1-CB 4.44Å
186	A	95	Very high	94.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.6	159.5	0	0	0	0	0	107.9	C174 A175 Y191 Y207 P214 V216	C174-A186 PolarHBondContact N-O 3.08Å; A175-A186 HydrophobicContact CB-CB 4.18Å; A175-A186 PolarHBondContact N-O 2.97Å; A175-A186 PolarHBondContact O-N 3.08Å; A186-Y191 HydrophobicContact CB-CD1 3.77Å; A186-Y191 HydrophobicContact CB-CE1 3.45Å; A186-Y191 VanDerWaalsContact CB-CE1 3.45Å; A186-Y207 HydrophobicContact CB-CD1 4.47Å; A186-Y207 HydrophobicContact CB-CE1 4.28Å; A186-P214 HydrophobicContact CB-CB 3.38Å; A186-P214 HydrophobicContact CB-CG 4.24Å; A186-V216 HydrophobicContact CB-CG2 3.79Å
187	L	93.8	Very high	94.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-177.2	171.1	-57	-176.1	0	0	0	110.2	P170 E171 P173 L185 T189 Q190 V192 Y207	P170-L187 HydrophobicContact CG-CD1 3.68Å; E171-L187 HydrophobicContact CB-CB 4.07Å; E171-L187 HydrophobicContact CB-CD1 4.2Å; P173-L187 HydrophobicContact CB-CD2 4.08Å; L185-L187 HydrophobicContact CB-CD2 4.31Å; L187-T189 VanDerWaalsContact C-N 3.3Å; L187-T189 PolarHBondContact O-N 2.68Å; L187-Q190 WeakPolarHBondContact CA-O 3.46Å; L187-Q190 HydrophobicContact CB-CG 4.37Å; L187-Q190 VanDerWaalsContact CB-O 3.28Å; L187-Q190 WeakPolarHBondContact CB-O 3.39Å; L187-Q190 HydrophobicContact CD1-CG 4.09Å; L187-Q190 PolarHBondContact N-O 3Å; L187-V192 HydrophobicContact CD1-CB 4.45Å; L187-V192 HydrophobicContact CD1-CG2 3.71Å; L187-V192 HydrophobicContact CG-CG2 4.31Å; L187-Y207 WeakPolarHBondContact O-CD1 3.37Å; L187-Y207 WeakPolarHBondContact O-CE1 3.49Å
188	T	91.9	Very high	94.1	Very high	46 Å²	46	25.5 Å²	25.5	28%	0.282	14%	0.136	S	C	.	.	S	Bend	trans	-64	-34.5	177.3	37.3	0	0	0	0	113.3	E171 Q172 S209	E171-T188 PolarHBondContact OE2-N 3.45Å; E171-T188 PolarHBondContact OE2-OG1 2.79Å; Q172-T188 HydrophobicContact CB-CG2 4.17Å; Q172-T188 PolarHBondContact O-N 3.28Å; T188-S209 PolarHBondContact O-N 3.05Å; T188-S209 VanDerWaalsContact O-N 3.13Å; T188-S209 PolarHBondContact O-OG 2.83Å
189	T	92.6	Very high	93.8	Very high	69 Å²	69	28 Å²	28	42%	0.423	16%	0.162	S	C	.	.	S	Bend	trans	-119	-8.6	-174.7	72	0	0	0	0	115.7	E171 L187 Y207	E171-T189 PolarHBondContact OE1-OG1 2.95Å; E171-T189 WeakPolarHBondContact OE2-CG2 3.49Å; E171-T189 PolarHBondContact OE2-N 3.28Å; E171-T189 PolarHBondContact OE2-OG1 3.18Å; L187-T189 VanDerWaalsContact C-N 3.3Å; L187-T189 PolarHBondContact O-N 2.68Å; T189-Y207 CarbonylContact C-O 3.37Å; T189-Y207 WeakPolarHBondContact CA-O 3.34Å; T189-Y207 PolarHBondContact O-N 3.08Å
190	Q	93.6	Very high	93.7	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.154	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	159.9	-173	58	179.7	8.2	0	0	113.9	L187 V192 E203	L187-Q190 WeakPolarHBondContact CA-O 3.46Å; L187-Q190 HydrophobicContact CB-CG 4.37Å; L187-Q190 VanDerWaalsContact CB-O 3.28Å; L187-Q190 WeakPolarHBondContact CB-O 3.39Å; L187-Q190 HydrophobicContact CD1-CG 4.09Å; L187-Q190 PolarHBondContact N-O 3Å; Q190-V192 HydrophobicContact CG-CG2 4.01Å; Q190-E203 PolarHBondContact NE2-OE1 2.83Å
191	Y	95.3	Very high	93.7	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.4	166.2	-71	-85.2	0	0	0	111.4	L185 A186 L204 F205 Y207 I215 V216 L226 A227	L185-Y191 WeakPolarHBondContact O-CA 3.32Å; A186-Y191 HydrophobicContact CB-CD1 3.77Å; A186-Y191 HydrophobicContact CB-CE1 3.45Å; A186-Y191 VanDerWaalsContact CB-CE1 3.45Å; Y191-L204 PolarHBondContact O-N 2.86Å; Y191-F205 AromaticContact CD2-CD2 3.76Å; Y191-F205 HydrophobicContact CD2-CD2 3.76Å; Y191-F205 AromaticContact CD2-CE2 3.28Å; Y191-F205 HydrophobicContact CD2-CE2 3.28Å; Y191-F205 HydrophobicContact CD2-CZ 4.05Å; Y191-F205 HydrophobicContact CE2-CD2 4.41Å; Y191-F205 AromaticContact CE2-CE2 3.7Å; Y191-F205 HydrophobicContact CE2-CE2 3.7Å; Y191-F205 HydrophobicContact CG-CE2 4.12Å; Y191-F205 PolarHBondContact N-O 3.35Å; Y191-Y207 HydrophobicContact CD2-CG 4.15Å; Y191-Y207 HydrophobicContact CE2-CD1 4.42Å; Y191-Y207 AromaticContact CE2-CD2 3.7Å; Y191-Y207 HydrophobicContact CE2-CD2 3.7Å; Y191-Y207 AromaticContact CE2-CG 3.6Å; Y191-Y207 HydrophobicContact CE2-CG 3.6Å; Y191-Y207 AromaticContact CZ-CD2 3.99Å; Y191-I215 PolarHBondContact OH-N 2.89Å; Y191-V216 HydrophobicContact CD1-CG2 4.07Å; Y191-V216 HydrophobicContact CE1-CG2 3.63Å; Y191-L226 HydrophobicContact CD1-CD2 3.85Å; Y191-L226 HydrophobicContact CE1-CD2 4.02Å; Y191-A227 VanDerWaalsContact CE2-O 3.27Å; Y191-A227 WeakPolarHBondContact CE2-O 3.08Å
192	V	95.3	Very high	93.7	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142	-177.2	178.3	0	0	0	0	110.1	L185 L187 Q190 S201 Q202 E203	L185-V192 PolarHBondContact N-O 3.34Å; L185-V192 PolarHBondContact O-N 3.38Å; L187-V192 HydrophobicContact CD1-CB 4.45Å; L187-V192 HydrophobicContact CD1-CG2 3.71Å; L187-V192 HydrophobicContact CG-CG2 4.31Å; Q190-V192 HydrophobicContact CG-CG2 4.01Å; V192-S201 WeakPolarHBondContact CG1-OG 3.09Å; V192-Q202 WeakPolarHBondContact CA-O 3.45Å; V192-Q202 WeakPolarHBondContact CG1-O 3.33Å; V192-E203 HydrophobicContact CG2-CG 4.22Å
193	I	95.8	Very high	93.7	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.6	165.6	-64.1	178.8	0	0	0	108.4	F182 L183 S201 Q202 L204 A236 N237	F182-I193 HydrophobicContact CD1-CG2 4.29Å; L183-I193 CarbonylContact O-C 3.6Å; L183-I193 WeakPolarHBondContact O-CA 3.5Å; I193-S201 CarbonylContact O-C 3.53Å; I193-S201 WeakPolarHBondContact O-CA 3.12Å; I193-Q202 PolarHBondContact N-O 2.86Å; I193-Q202 PolarHBondContact O-N 2.82Å; I193-L204 HydrophobicContact CD1-CD1 4Å; I193-L204 HydrophobicContact CD1-CD2 4.15Å; I193-L204 HydrophobicContact CG1-CD1 3.9Å; I193-L204 HydrophobicContact CG1-CD2 4.35Å; I193-L204 HydrophobicContact CG1-CG 4.33Å; I193-A236 HydrophobicContact CD1-CB 4.1Å; I193-N237 WeakPolarHBondContact CD1-O 3.27Å
194	L	94.8	Very high	93.6	Very high	9 Å²	9	39.6 Å²	39.6	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.1	-176.8	-173.3	153.8	0	0	0	110.1	V167 L183 L185 A200	V167-L194 HydrophobicContact CG1-CD1 4.2Å; V167-L194 HydrophobicContact CG1-CD2 3.52Å; L183-L194 WeakPolarHBondContact CB-O 3.49Å; L183-L194 HydrophobicContact CD1-CD2 4.14Å; L183-L194 PolarHBondContact N-O 2.88Å; L183-L194 PolarHBondContact O-N 3.39Å; L185-L194 HydrophobicContact CD1-CB 4.44Å; L194-A200 CarbonylContact C-O 3.5Å; L194-A200 WeakPolarHBondContact CA-O 3.46Å
195	N	94.3	Very high	93.4	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111.9	172.2	-176.4	-62.7	0	0	0	109.8	Y181 F182 N197 T198 G199 A200	Y181-N195 CarbonylContact O-C 3.59Å; Y181-N195 VanDerWaalsContact O-CA 3.32Å; Y181-N195 WeakPolarHBondContact O-CA 3.34Å; F182-N195 HydrophobicContact CD1-CB 4Å; F182-N195 HydrophobicContact CE1-CB 4Å; F182-N195 VanDerWaalsContact CE1-ND2 3.3Å; F182-N195 WeakPolarHBondContact CE1-ND2 3.31Å; N195-N197 PolarHBondContact O-N 3.08Å; N195-N197 WeakPolarHBondContact OD1-CB 3.3Å; N195-N197 PolarHBondContact OD1-N 3.28Å; N195-N197 VanDerWaalsContact OD1-N 3.08Å; N195-T198 WeakPolarHBondContact CB-OG1 3.08Å; N195-T198 VanDerWaalsContact CG-OG1 3.23Å; N195-T198 PolarHBondContact OD1-N 3.22Å; N195-T198 PolarHBondContact OD1-OG1 2.97Å; N195-T198 VanDerWaalsContact OD1-OG1 3.04Å; N195-G199 VanDerWaalsContact O-CA 3.24Å; N195-G199 WeakPolarHBondContact O-CA 3.32Å; N195-G199 PolarHBondContact O-N 2.85Å; N195-A200 HydrophobicContact CB-CB 4.48Å; N195-A200 PolarHBondContact N-O 3.37Å
196	Y	92.4	Very high	93.1	Very high	16 Å²	16	45.7 Å²	45.7	6%	0.063	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.2	-172.5	66.1	-104.4	0	0	0	114.3	V132 E140 V153 K165 I178 G180 Y181 L183	V132-Y196 VanDerWaalsContact CG2-OH 3.22Å; V132-Y196 WeakPolarHBondContact CG2-OH 3.41Å; E140-Y196 PolarHBondContact OE1-OH 2.98Å; E140-Y196 PolarHBondContact OE2-OH 3.45Å; E140-Y196 VanDerWaalsContact OE2-OH 3.09Å; V153-Y196 HydrophobicContact CG2-CD1 4.49Å; V153-Y196 HydrophobicContact CG2-CG 4.42Å; K165-Y196 WeakPolarHBondContact CE-O 3.45Å; K165-Y196 HydrophobicContact CG-CD2 4.46Å; I178-Y196 HydrophobicContact CG2-CE1 4.37Å; G180-Y196 VanDerWaalsContact O-CE1 3.3Å; G180-Y196 WeakPolarHBondContact O-CE1 3.24Å; G180-Y196 PolarHBondContact O-OH 3.25Å; Y181-Y196 VanDerWaalsContact CA-CE1 3.47Å; Y181-Y196 HydrophobicContact CD1-CD2 4.45Å; Y181-Y196 AromaticContact CD1-CE2 3.77Å; Y181-Y196 HydrophobicContact CD1-CE2 3.77Å; Y181-Y196 AromaticContact CD1-CZ 3.83Å; Y181-Y196 HydrophobicContact CE1-CE2 4.36Å; Y181-Y196 WeakPolarHBondContact O-CD1 3.39Å; Y181-Y196 PolarHBondContact O-N 2.92Å; L183-Y196 HydrophobicContact CD1-CD1 4.42Å; L183-Y196 HydrophobicContact CD2-CD1 3.66Å; L183-Y196 HydrophobicContact CD2-CE1 4.23Å; L183-Y196 HydrophobicContact CG-CD1 3.84Å
197	N	92.8	Very high	92.8	Very high	94 Å²	94	46.9 Å²	46.9	50%	0.503	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-49.1	176	-175.8	36.3	0	0	0	111.5	Y181 N195	Y181-N197 HydrophobicContact CD1-CB 3.45Å; Y181-N197 VanDerWaalsContact CD1-CB 3.45Å; Y181-N197 HydrophobicContact CE1-CB 3.77Å; Y181-N197 HydrophobicContact CG-CB 4.06Å; N195-N197 PolarHBondContact O-N 3.08Å; N195-N197 WeakPolarHBondContact OD1-CB 3.3Å; N195-N197 PolarHBondContact OD1-N 3.28Å; N195-N197 VanDerWaalsContact OD1-N 3.08Å
198	T	91.9	Very high	92.5	Very high	98 Å²	98	49.6 Å²	49.6	60%	0.601	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-23.1	-178.3	61.1	0	0	0	0	113.3	N195 A200	N195-T198 WeakPolarHBondContact CB-OG1 3.08Å; N195-T198 VanDerWaalsContact CG-OG1 3.23Å; N195-T198 PolarHBondContact OD1-N 3.22Å; N195-T198 PolarHBondContact OD1-OG1 2.97Å; N195-T198 VanDerWaalsContact OD1-OG1 3.04Å; T198-A200 VanDerWaalsContact C-N 3.25Å; T198-A200 PolarHBondContact OG1-N 3.14Å
199	G	88.4	Confident	92.1	Very high	52 Å²	52	49.4 Å²	49.4	54%	0.536	29%	0.292	S	S	.	.			trans	78.8	2.3	-171.8	0	0	0	0	0	114.2	N195	N195-G199 VanDerWaalsContact O-CA 3.24Å; N195-G199 WeakPolarHBondContact O-CA 3.32Å; N195-G199 PolarHBondContact O-N 2.85Å
200	A	92.1	Very high	91.8	Very high	61 Å²	61	54.7 Å²	54.7	50%	0.504	31%	0.312	S	S	.	.			trans	-63	136.4	176.3	0	0	0	0	0	110.7	L194 N195 T198	L194-A200 CarbonylContact C-O 3.5Å; L194-A200 WeakPolarHBondContact CA-O 3.46Å; N195-A200 HydrophobicContact CB-CB 4.48Å; N195-A200 PolarHBondContact N-O 3.37Å; T198-A200 VanDerWaalsContact C-N 3.25Å; T198-A200 PolarHBondContact OG1-N 3.14Å
201	S	92.6	Very high	91.3	Very high	67 Å²	67	59.8 Å²	59.8	47%	0.469	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.6	-176.3	-178.8	0	0	0	0	109.8	V192 I193	V192-S201 WeakPolarHBondContact CG1-OG 3.09Å; I193-S201 CarbonylContact O-C 3.53Å; I193-S201 WeakPolarHBondContact O-CA 3.12Å
202	Q	94.3	Very high	90.6	Very high	101 Å²	101	64.5 Å²	64.5	47%	0.472	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.8	179.1	179.5	58.2	54.6	0	0	109.8	V192 I193	V192-Q202 WeakPolarHBondContact CA-O 3.45Å; V192-Q202 WeakPolarHBondContact CG1-O 3.33Å; I193-Q202 PolarHBondContact N-O 2.86Å; I193-Q202 PolarHBondContact O-N 2.82Å
203	E	94	Very high	90.1	Very high	115 Å²	115	73.1 Å²	73.1	54%	0.537	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.5	173.9	-61.6	-178.2	161	0	0	110	Q190 V192	Q190-E203 PolarHBondContact NE2-OE1 2.83Å; V192-E203 HydrophobicContact CG2-CG 4.22Å
204	L	92.8	Very high	89.8	Confident	40 Å²	40	74.7 Å²	74.7	21%	0.209	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-75	-178.3	-59.3	-177.6	0	0	0	111.5	Y191 I193 L226 A236	Y191-L204 PolarHBondContact O-N 2.86Å; I193-L204 HydrophobicContact CD1-CD1 4Å; I193-L204 HydrophobicContact CD1-CD2 4.15Å; I193-L204 HydrophobicContact CG1-CD1 3.9Å; I193-L204 HydrophobicContact CG1-CD2 4.35Å; I193-L204 HydrophobicContact CG1-CG 4.33Å; L204-L226 HydrophobicContact CD1-CD1 3.24Å; L204-A236 HydrophobicContact CD1-CB 3.94Å
205	F	92	Very high	89.7	Confident	37 Å²	37	74.7 Å²	74.7	16%	0.162	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	159.7	-179	48.6	-99	0	0	0	111.9	Y191 L226 A228 M234	Y191-F205 AromaticContact CD2-CD2 3.76Å; Y191-F205 HydrophobicContact CD2-CD2 3.76Å; Y191-F205 AromaticContact CD2-CE2 3.28Å; Y191-F205 HydrophobicContact CD2-CE2 3.28Å; Y191-F205 HydrophobicContact CD2-CZ 4.05Å; Y191-F205 HydrophobicContact CE2-CD2 4.41Å; Y191-F205 AromaticContact CE2-CE2 3.7Å; Y191-F205 HydrophobicContact CE2-CE2 3.7Å; Y191-F205 HydrophobicContact CG-CE2 4.12Å; Y191-F205 PolarHBondContact N-O 3.35Å; F205-L226 HydrophobicContact CE1-CB 4.43Å; F205-L226 HydrophobicContact CE1-CD1 4.16Å; F205-L226 HydrophobicContact CZ-CB 3.64Å; F205-L226 HydrophobicContact CZ-CD1 4Å; F205-L226 HydrophobicContact CZ-CG 4.49Å; F205-A228 HydrophobicContact CD2-CB 4.11Å; F205-A228 HydrophobicContact CE1-CB 4.25Å; F205-A228 VanDerWaalsContact CE2-CA 3.47Å; F205-A228 HydrophobicContact CE2-CB 3.61Å; F205-A228 HydrophobicContact CZ-CB 3.68Å; F205-M234 HydrophobicContact CE1-CB 3.93Å; F205-M234 HydrophobicContact CE1-CG 4.1Å; F205-M234 HydrophobicContact CZ-CB 4.12Å; F205-M234 HydrophobicContact CZ-CG 4.34Å
206	P	89.6	Confident	89.7	Confident	94 Å²	94	75 Å²	75	61%	0.61	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	149.3	-179.2	-21.3	33.6	0	0	0	113.4
207	Y	88.4	Confident	89.7	Confident	24 Å²	24	76.1 Å²	76.1	9%	0.094	40%	0.404	C	S	.	.			trans	-149.3	148	179.6	164.1	-109.1	0	0	0	109.7	A186 L187 T189 Y191 S209 R212 P214	A186-Y207 HydrophobicContact CB-CD1 4.47Å; A186-Y207 HydrophobicContact CB-CE1 4.28Å; L187-Y207 WeakPolarHBondContact O-CD1 3.37Å; L187-Y207 WeakPolarHBondContact O-CE1 3.49Å; T189-Y207 CarbonylContact C-O 3.37Å; T189-Y207 WeakPolarHBondContact CA-O 3.34Å; T189-Y207 PolarHBondContact O-N 3.08Å; Y191-Y207 HydrophobicContact CD2-CG 4.15Å; Y191-Y207 HydrophobicContact CE2-CD1 4.42Å; Y191-Y207 AromaticContact CE2-CD2 3.7Å; Y191-Y207 HydrophobicContact CE2-CD2 3.7Å; Y191-Y207 AromaticContact CE2-CG 3.6Å; Y191-Y207 HydrophobicContact CE2-CG 3.6Å; Y191-Y207 AromaticContact CZ-CD2 3.99Å; Y207-S209 WeakPolarHBondContact OH-CA 3.39Å; Y207-R212 WeakPolarHBondContact CE2-O 3.47Å; Y207-R212 PolarHBondContact OH-O 3.08Å; Y207-P214 HydrophobicContact CE1-CB 4.03Å; Y207-P214 HydrophobicContact CE2-CB 4.29Å; Y207-P214 WeakPolarHBondContact OH-CA 3.49Å; Y207-P214 WeakPolarHBondContact OH-CB 2.93Å; Y207-P214 WeakPolarHBondContact OH-CD 3.23Å
208	N	86.7	Confident	89.6	Confident	59 Å²	59	73.7 Å²	73.7	32%	0.316	39%	0.388	S	S	.	.			trans	-122.8	112.3	175.2	-172.4	-6.1	0	0	0	110.6	E210 E211 R212	N208-E210 PolarHBondContact O-N 2.8Å; N208-E210 PolarHBondContact OD1-N 3.42Å; N208-E211 HydrophobicContact CB-CB 4.28Å; N208-E211 HydrophobicContact CB-CG 4.23Å; N208-E211 PolarHBondContact ND2-OE1 3.15Å; N208-E211 PolarHBondContact O-N 2.95Å; N208-R212 PolarHBondContact O-N 3.19Å
209	S	85.3	Confident	89.4	Confident	41 Å²	41	70.4 Å²	70.4	29%	0.287	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.2	-179.9	64	0	0	0	0	115.1	T188 Y207	T188-S209 PolarHBondContact O-N 3.05Å; T188-S209 VanDerWaalsContact O-N 3.13Å; T188-S209 PolarHBondContact O-OG 2.83Å; Y207-S209 WeakPolarHBondContact OH-CA 3.39Å
210	E	84.6	Confident	89.4	Confident	180 Å²	180	70.1 Å²	70.1	84%	0.841	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-27.8	177.2	-61.7	-167.2	164	0	0	112.8	N208	N208-E210 PolarHBondContact O-N 2.8Å; N208-E210 PolarHBondContact OD1-N 3.42Å
211	E	83.1	Confident	89.2	Confident	141 Å²	141	76.5 Å²	76.5	66%	0.659	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-40.9	-175.9	-72.9	173.4	-151.2	0	0	112.7	N208	N208-E211 HydrophobicContact CB-CB 4.28Å; N208-E211 HydrophobicContact CB-CG 4.23Å; N208-E211 PolarHBondContact ND2-OE1 3.15Å; N208-E211 PolarHBondContact O-N 2.95Å
212	R	81.9	Confident	89.1	Confident	99 Å²	99	77.2 Å²	77.2	37%	0.374	36%	0.363	S	S	.	.	S	Bend	trans	-142	147.5	-171.1	-59.1	-174.8	-170.4	-168.9	-0.1	110.7	Y207 N208 E251	Y207-R212 WeakPolarHBondContact CE2-O 3.47Å; Y207-R212 PolarHBondContact OH-O 3.08Å; N208-R212 PolarHBondContact O-N 3.19Å; R212-E251 IonicContact CZ-OE2 3.05Å; R212-E251 PolarHBondContact NH1-O 2.86Å; R212-E251 IonicContact NH1-OE2 2.94Å; R212-E251 IonicContact NH2-OE2 3.58Å; R212-E251 PolarHBondContact NH2-OE2 2.7Å
213	R	84.1	Confident	89	Confident	184 Å²	184	73 Å²	73	69%	0.694	34%	0.343	S	S	*	.			trans	-69.3	140.3	171.6	-70.3	-174.2	176	-155.4	-2.7	110
214	P	90.6	Very high	89	Confident	37 Å²	37	67.5 Å²	67.5	24%	0.24	32%	0.317	C	S	.	.			trans	-73.9	141.9	-178.5	29.1	-30.6	0	0	0	110	C174 A175 A186 Y207	C174-P214 HydrophobicContact CB-CG 4.12Å; A175-P214 HydrophobicContact CB-CB 3.97Å; A175-P214 HydrophobicContact CB-CG 3.58Å; A186-P214 HydrophobicContact CB-CB 3.38Å; A186-P214 HydrophobicContact CB-CG 4.24Å; Y207-P214 HydrophobicContact CE1-CB 4.03Å; Y207-P214 HydrophobicContact CE2-CB 4.29Å; Y207-P214 WeakPolarHBondContact OH-CA 3.49Å; Y207-P214 WeakPolarHBondContact OH-CB 2.93Å; Y207-P214 WeakPolarHBondContact OH-CD 3.23Å
215	I	92.6	Very high	89	Confident	10 Å²	10	65.6 Å²	65.6	5%	0.051	31%	0.307	C	S	.	.			trans	-116.3	111.4	171	-59.5	-177.4	0	0	0	106.8	Y191 L226 A227 V253 A256	Y191-I215 PolarHBondContact OH-N 2.89Å; I215-L226 WeakPolarHBondContact O-CA 3.3Å; I215-A227 HydrophobicContact CB-CB 3.82Å; I215-A227 HydrophobicContact CD1-CB 4.1Å; I215-A227 HydrophobicContact CG1-CB 4.09Å; I215-A227 PolarHBondContact O-N 2.66Å; I215-V253 HydrophobicContact CD1-CB 4.42Å; I215-V253 HydrophobicContact CD1-CG1 3.82Å; I215-V253 HydrophobicContact CD1-CG2 3.85Å; I215-A256 HydrophobicContact CD1-CB 4.46Å; I215-A256 HydrophobicContact CG2-CB 3.91Å
216	V	93.8	Very high	89.2	Confident	24 Å²	24	63.8 Å²	63.8	15%	0.145	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	108.7	172.7	-171.5	0	0	0	0	107.4	A175 S177 C184 A186 Y191 L226	A175-V216 HydrophobicContact CB-CG2 4.16Å; S177-V216 VanDerWaalsContact CB-CG1 3.49Å; C184-V216 HydrophobicContact CB-CG1 3.72Å; C184-V216 WeakPolarHBondContact O-CG1 3.41Å; A186-V216 HydrophobicContact CB-CG2 3.79Å; Y191-V216 HydrophobicContact CD1-CG2 4.07Å; Y191-V216 HydrophobicContact CE1-CG2 3.63Å; V216-L226 HydrophobicContact CB-CD2 4.22Å; V216-L226 HydrophobicContact CG1-CD2 3.92Å; V216-L226 HydrophobicContact CG2-CD2 4.08Å
217	K	92.1	Very high	89.3	Confident	40 Å²	40	60.2 Å²	60.2	17%	0.174	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.8	-176.8	-177.7	67.3	-167.2	-168.3	0	111.2	F224 L225 D295	K217-F224 CarbonylContact O-C 3.58Å; K217-F224 WeakPolarHBondContact O-CA 3.35Å; K217-L225 HydrophobicContact CB-CB 4.39Å; K217-L225 PolarHBondContact N-O 3.33Å; K217-L225 PolarHBondContact O-N 2.94Å; K217-D295 VanDerWaalsContact CE-CG 3.48Å; K217-D295 WeakPolarHBondContact CE-OD1 3.07Å; K217-D295 VanDerWaalsContact CE-OD2 3.23Å; K217-D295 WeakPolarHBondContact CE-OD2 3.37Å; K217-D295 IonicContact NZ-OD1 3.33Å; K217-D295 PolarHBondContact NZ-OD1 2.84Å; K217-D295 IonicContact NZ-OD2 2.69Å; K217-D295 PolarHBondContact NZ-OD2 3Å
218	R	91.4	Very high	89.3	Confident	43 Å²	43	59.6 Å²	59.6	16%	0.162	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.9	168.7	-176.2	-171.5	-179	-110	-1.9	110.6	E129 S177 D179 F224	E129-R218 IonicContact OE2-CZ 3.93Å; E129-R218 IonicContact OE2-NH1 3.31Å; E129-R218 PolarHBondContact OE2-NH1 2.77Å; S177-R218 PolarHBondContact OG-N 3.4Å; D179-R218 HydrophobicContact CB-CG 4.48Å; D179-R218 IonicContact OD1-CZ 3.91Å; D179-R218 IonicContact OD1-NE 3.51Å; D179-R218 PolarHBondContact OD1-NE 3.4Å; D179-R218 IonicContact OD1-NH2 2.71Å; D179-R218 PolarHBondContact OD1-NH2 3.37Å; R218-F224 HydrophobicContact CB-CD1 4.36Å; R218-F224 HydrophobicContact CB-CE1 4.42Å
219	I	87.9	Confident	89.3	Confident	30 Å²	30	60.6 Å²	60.6	15%	0.154	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-45.9	179.5	-44.5	178	0	0	0	111	E223 L225 F235 V258 M276	I219-E223 PolarHBondContact N-O 2.9Å; I219-L225 HydrophobicContact CD1-CB 3.49Å; I219-L225 VanDerWaalsContact CD1-CB 3.49Å; I219-L225 HydrophobicContact CD1-CD1 4.34Å; I219-L225 HydrophobicContact CD1-CG 4.4Å; I219-L225 HydrophobicContact CG1-CB 3.66Å; I219-F235 HydrophobicContact CD1-CD1 3.29Å; I219-F235 HydrophobicContact CD1-CE1 3.56Å; I219-F235 HydrophobicContact CD1-CG 4.49Å; I219-V258 HydrophobicContact CB-CG2 4.49Å; I219-V258 HydrophobicContact CG1-CG2 4.18Å; I219-V258 HydrophobicContact CG2-CB 4.5Å; I219-V258 HydrophobicContact CG2-CG1 3.77Å; I219-V258 HydrophobicContact CG2-CG2 4.14Å; I219-M276 HydrophobicContact CG2-SD 3.93Å
220	S	86.7	Confident	89.3	Confident	46 Å²	46	61.1 Å²	61.1	32%	0.322	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	-178.1	179.4	85.7	0	0	0	0	109.5	E222 E223	S220-E222 PolarHBondContact O-N 3.04Å; S220-E223 PolarHBondContact N-O 2.74Å; S220-E223 PolarHBondContact O-N 3.12Å; S220-E223 VanDerWaalsContact O-N 3.15Å; S220-E223 VanDerWaalsContact OG-CB 3.29Å; S220-E223 WeakPolarHBondContact OG-CB 3.43Å; S220-E223 PolarHBondContact OG-OE2 2.96Å
221	R	88.9	Confident	89.5	Confident	194 Å²	194	52.7 Å²	52.7	73%	0.732	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	125.2	177.5	-71	-176.6	179.1	-179.7	-1.6	109	E223	R221-E223 PolarHBondContact O-N 3.31Å
222	E	89.5	Confident	89.9	Confident	82 Å²	82	48.5 Å²	48.5	38%	0.383	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	25.8	-178.9	-58.1	-175.1	-165.8	0	0	114.9	D179 F182 S220 N237 S238	D179-E222 VanDerWaalsContact CG-N 3.33Å; D179-E222 PolarHBondContact OD2-N 3.43Å; F182-E222 HydrophobicContact CD2-CG 4.07Å; F182-E222 HydrophobicContact CE2-CG 4.16Å; S220-E222 PolarHBondContact O-N 3.04Å; E222-N237 CarbonylContact O-C 3.53Å; E222-N237 WeakPolarHBondContact O-CA 3.49Å; E222-S238 PolarHBondContact O-N 2.84Å; E222-S238 WeakPolarHBondContact OE2-CB 3.44Å; E222-S238 PolarHBondContact OE2-OG 3.44Å
223	E	92.4	Very high	90.5	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.056	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.7	-178.9	-166.8	-177	-152.6	0	0	111.5	I219 S220 R221 R244	I219-E223 PolarHBondContact N-O 2.9Å; S220-E223 PolarHBondContact N-O 2.74Å; S220-E223 PolarHBondContact O-N 3.12Å; S220-E223 VanDerWaalsContact O-N 3.15Å; S220-E223 VanDerWaalsContact OG-CB 3.29Å; S220-E223 WeakPolarHBondContact OG-CB 3.43Å; S220-E223 PolarHBondContact OG-OE2 2.96Å; R221-E223 PolarHBondContact O-N 3.31Å; E223-R244 IonicContact OE1-CZ 3.66Å; E223-R244 IonicContact OE1-NE 3.29Å; E223-R244 PolarHBondContact OE1-NE 3.3Å; E223-R244 IonicContact OE1-NH2 2.84Å; E223-R244 PolarHBondContact OE1-NH2 3.14Å; E223-R244 VanDerWaalsContact OE1-NH2 3.1Å; E223-R244 IonicContact OE2-CZ 2.62Å; E223-R244 IonicContact OE2-NH2 3.3Å; E223-R244 PolarHBondContact OE2-NH2 2.94Å
224	F	94.1	Very high	90.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.1	-174.6	-55.3	-87.6	0	0	0	112.1	D179 C184 K217 R218 F235 A236	D179-F224 HydrophobicContact CB-CE1 4.22Å; D179-F224 HydrophobicContact CB-CZ 3.78Å; C184-F224 HydrophobicContact CB-CB 4.22Å; C184-F224 HydrophobicContact CB-CD1 3.56Å; C184-F224 HydrophobicContact CB-CD2 3.84Å; C184-F224 HydrophobicContact CB-CE1 3.77Å; C184-F224 HydrophobicContact CB-CE2 4.05Å; C184-F224 HydrophobicContact CB-CG 3.59Å; C184-F224 HydrophobicContact CB-CZ 4.01Å; K217-F224 CarbonylContact O-C 3.58Å; K217-F224 WeakPolarHBondContact O-CA 3.35Å; R218-F224 HydrophobicContact CB-CD1 4.36Å; R218-F224 HydrophobicContact CB-CE1 4.42Å; F224-F235 CarbonylContact O-C 3.53Å; F224-F235 WeakPolarHBondContact O-CA 3.44Å; F224-A236 PolarHBondContact N-O 2.77Å; F224-A236 PolarHBondContact O-N 3.07Å
225	L	94.4	Very high	91	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.3	172	-174.2	61.5	0	0	0	109.2	K217 I219 M234 F235 W249 A256 V258 V263	K217-L225 HydrophobicContact CB-CB 4.39Å; K217-L225 PolarHBondContact N-O 3.33Å; K217-L225 PolarHBondContact O-N 2.94Å; I219-L225 HydrophobicContact CD1-CB 3.49Å; I219-L225 VanDerWaalsContact CD1-CB 3.49Å; I219-L225 HydrophobicContact CD1-CD1 4.34Å; I219-L225 HydrophobicContact CD1-CG 4.4Å; I219-L225 HydrophobicContact CG1-CB 3.66Å; L225-M234 WeakPolarHBondContact CA-O 3.5Å; L225-F235 HydrophobicContact CD1-CD1 4.3Å; L225-F235 HydrophobicContact CD1-CE1 4.01Å; L225-F235 HydrophobicContact CD1-CZ 4.26Å; L225-W249 HydrophobicContact CD1-CH2 4.03Å; L225-W249 HydrophobicContact CD1-CZ3 4.25Å; L225-W249 HydrophobicContact CD2-CH2 4.03Å; L225-W249 HydrophobicContact CD2-CZ3 3.99Å; L225-W249 HydrophobicContact CG-CH2 3.95Å; L225-W249 HydrophobicContact CG-CZ3 4.33Å; L225-A256 HydrophobicContact CD2-CB 4Å; L225-V258 HydrophobicContact CD2-CG2 4.28Å; L225-V263 HydrophobicContact CD2-CG1 3.76Å; L225-V263 HydrophobicContact CD2-CG2 4.24Å
226	L	94.4	Very high	91.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.4	-176	-56.8	173.9	0	0	0	111.6	C184 Y191 L204 F205 I215 V216 A228 G233 M234 A236	C184-L226 VanDerWaalsContact SG-CD2 3.57Å; Y191-L226 HydrophobicContact CD1-CD2 3.85Å; Y191-L226 HydrophobicContact CE1-CD2 4.02Å; L204-L226 HydrophobicContact CD1-CD1 3.24Å; F205-L226 HydrophobicContact CE1-CB 4.43Å; F205-L226 HydrophobicContact CE1-CD1 4.16Å; F205-L226 HydrophobicContact CZ-CB 3.64Å; F205-L226 HydrophobicContact CZ-CD1 4Å; F205-L226 HydrophobicContact CZ-CG 4.49Å; I215-L226 WeakPolarHBondContact O-CA 3.3Å; V216-L226 HydrophobicContact CB-CD2 4.22Å; V216-L226 HydrophobicContact CG1-CD2 3.92Å; V216-L226 HydrophobicContact CG2-CD2 4.08Å; L226-A228 PolarHBondContact O-N 3.37Å; L226-G233 WeakPolarHBondContact O-CA 3.22Å; L226-M234 PolarHBondContact N-O 3.49Å; L226-M234 PolarHBondContact O-N 3.34Å; L226-A236 HydrophobicContact CD1-CB 4.05Å
227	A	92.4	Very high	91.1	Very high	18 Å²	18	35 Å²	35	15%	0.149	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	104.6	170.9	0	0	0	0	0	110.8	Y191 I215 W249	Y191-A227 VanDerWaalsContact CE2-O 3.27Å; Y191-A227 WeakPolarHBondContact CE2-O 3.08Å; I215-A227 HydrophobicContact CB-CB 3.82Å; I215-A227 HydrophobicContact CD1-CB 4.1Å; I215-A227 HydrophobicContact CG1-CB 4.09Å; I215-A227 PolarHBondContact O-N 2.66Å; A227-W249 HydrophobicContact CB-CZ2 4.13Å
228	A	89.1	Confident	91.1	Very high	11 Å²	11	34.1 Å²	34.1	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	159.4	175.7	0	0	0	0	0	112.3	F205 L226 L232 M234	F205-A228 HydrophobicContact CD2-CB 4.11Å; F205-A228 HydrophobicContact CE1-CB 4.25Å; F205-A228 VanDerWaalsContact CE2-CA 3.47Å; F205-A228 HydrophobicContact CE2-CB 3.61Å; F205-A228 HydrophobicContact CZ-CB 3.68Å; L226-A228 PolarHBondContact O-N 3.37Å; A228-L232 HydrophobicContact CB-CB 4.1Å; A228-L232 PolarHBondContact N-O 3.48Å; A228-L232 PolarHBondContact O-N 2.97Å; A228-M234 HydrophobicContact CB-CB 4.18Å; A228-M234 HydrophobicContact CB-CG 3.33Å
229	P	85.6	Confident	91	Very high	81 Å²	81	39.1 Å²	39.1	53%	0.526	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	149.3	175.9	-25.3	34.7	0	0	0	112.8
230	G	86.2	Confident	91	Very high	52 Å²	52	38.9 Å²	38.9	54%	0.536	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	17.6	177.6	0	0	0	0	0	115.5
231	G	88.7	Confident	91.2	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	35.4	177.6	0	0	0	0	0	112.9	W249	G231-W249 CarbonylContact O-C 2.9Å; G231-W249 PolarHBondContact O-N 3.1Å
232	L	91.9	Very high	91.1	Very high	52 Å²	52	32.1 Å²	32.1	27%	0.272	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.6	-179	-61.9	178.2	0	0	0	111.1	A228 P246 N248	A228-L232 HydrophobicContact CB-CB 4.1Å; A228-L232 PolarHBondContact N-O 3.48Å; A228-L232 PolarHBondContact O-N 2.97Å; L232-P246 HydrophobicContact CB-CB 4.41Å; L232-P246 HydrophobicContact CD2-CB 4.4Å; L232-N248 WeakPolarHBondContact CD2-OD1 3.21Å
233	G	93.3	Very high	90.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	106.2	165.1	0	0	0	0	0	109.9	L226 P246 V247 W249	L226-G233 WeakPolarHBondContact O-CA 3.22Å; G233-P246 VanDerWaalsContact O-CA 3.28Å; G233-P246 WeakPolarHBondContact O-CA 3.44Å; G233-V247 PolarHBondContact N-O 2.79Å; G233-V247 PolarHBondContact O-N 3.08Å; G233-W249 VanDerWaalsContact CA-CH2 3.42Å
234	M	92.9	Very high	90.6	Very high	46 Å²	46	38.3 Å²	38.3	23%	0.227	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.3	-178.9	-72.1	-66.1	-60.9	0	0	111.1	F205 L225 L226 A228 P246	F205-M234 HydrophobicContact CE1-CB 3.93Å; F205-M234 HydrophobicContact CE1-CG 4.1Å; F205-M234 HydrophobicContact CZ-CB 4.12Å; F205-M234 HydrophobicContact CZ-CG 4.34Å; L225-M234 WeakPolarHBondContact CA-O 3.5Å; L226-M234 PolarHBondContact N-O 3.49Å; L226-M234 PolarHBondContact O-N 3.34Å; A228-M234 HydrophobicContact CB-CB 4.18Å; A228-M234 HydrophobicContact CB-CG 3.33Å; M234-P246 HydrophobicContact SD-CB 3.62Å; M234-P246 HydrophobicContact SD-CG 4.09Å
235	F	93.5	Very high	90.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.4	171.1	-57	-89.1	0	0	0	108.4	I219 F224 L225 S242 R244 A245 V247 V263 M276	I219-F235 HydrophobicContact CD1-CD1 3.29Å; I219-F235 HydrophobicContact CD1-CE1 3.56Å; I219-F235 HydrophobicContact CD1-CG 4.49Å; F224-F235 CarbonylContact O-C 3.53Å; F224-F235 WeakPolarHBondContact O-CA 3.44Å; L225-F235 HydrophobicContact CD1-CD1 4.3Å; L225-F235 HydrophobicContact CD1-CE1 4.01Å; L225-F235 HydrophobicContact CD1-CZ 4.26Å; F235-S242 VanDerWaalsContact O-CA 3.25Å; F235-S242 WeakPolarHBondContact O-CA 3.35Å; F235-S242 WeakPolarHBondContact O-CB 3.38Å; F235-S242 PolarHBondContact O-OG 3.44Å; F235-R244 HydrophobicContact CB-CB 4.46Å; F235-R244 HydrophobicContact CD2-CB 3.85Å; F235-R244 HydrophobicContact CE2-CB 4.36Å; F235-R244 HydrophobicContact CG-CB 4.18Å; F235-A245 WeakPolarHBondContact CD2-O 3.45Å; F235-A245 WeakPolarHBondContact CE2-O 3.48Å; F235-V247 HydrophobicContact CE2-CG2 3.9Å; F235-V247 HydrophobicContact CZ-CG2 3.89Å; F235-V263 HydrophobicContact CE1-CG2 4.41Å; F235-V263 HydrophobicContact CZ-CG2 4.34Å; F235-M276 HydrophobicContact CE1-CG 4.28Å; F235-M276 HydrophobicContact CE1-SD 4.11Å; F235-M276 HydrophobicContact CZ-CG 4.2Å
236	A	94.5	Very high	90.2	Very high	5 Å²	5	43 Å²	43	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.5	177.5	0	0	0	0	0	109.9	I193 L204 F224 L226	I193-A236 HydrophobicContact CD1-CB 4.1Å; L204-A236 HydrophobicContact CD1-CB 3.94Å; F224-A236 PolarHBondContact N-O 2.77Å; F224-A236 PolarHBondContact O-N 3.07Å; L226-A236 HydrophobicContact CD1-CB 4.05Å
237	N	93.6	Very high	90.1	Very high	19 Å²	19	43 Å²	43	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	178.2	173.2	74.4	-5.4	0	0	0	111.7	I193 E222 E239 G240 A241	I193-N237 WeakPolarHBondContact CD1-O 3.27Å; E222-N237 CarbonylContact O-C 3.53Å; E222-N237 WeakPolarHBondContact O-CA 3.49Å; N237-E239 PolarHBondContact O-N 2.86Å; N237-E239 VanDerWaalsContact O-N 3.09Å; N237-E239 WeakPolarHBondContact OD1-CB 3.4Å; N237-E239 PolarHBondContact OD1-N 3.26Å; N237-E239 VanDerWaalsContact OD1-N 3.1Å; N237-G240 PolarHBondContact O-N 2.8Å; N237-G240 PolarHBondContact OD1-N 3.24Å; N237-G240 VanDerWaalsContact OD1-N 3.14Å; N237-A241 VanDerWaalsContact CG-O 3.29Å; N237-A241 PolarHBondContact N-O 2.93Å; N237-A241 WeakPolarHBondContact OD1-CA 3.45Å; N237-A241 PolarHBondContact OD1-N 2.85Å; N237-A241 PolarHBondContact OD1-O 2.89Å
238	S	90.6	Very high	90.1	Very high	20 Å²	20	47.5 Å²	47.5	14%	0.14	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.2	176.9	46	0	0	0	0	115.3	E222	E222-S238 PolarHBondContact O-N 2.84Å; E222-S238 WeakPolarHBondContact OE2-CB 3.44Å; E222-S238 PolarHBondContact OE2-OG 3.44Å
239	E	90.4	Very high	90.2	Very high	148 Å²	148	48 Å²	48	69%	0.692	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.2	176.8	-59.5	178.3	162.4	0	0	112.9	N237 A241	N237-E239 PolarHBondContact O-N 2.86Å; N237-E239 VanDerWaalsContact O-N 3.09Å; N237-E239 WeakPolarHBondContact OD1-CB 3.4Å; N237-E239 PolarHBondContact OD1-N 3.26Å; N237-E239 VanDerWaalsContact OD1-N 3.1Å; E239-A241 VanDerWaalsContact C-N 3.31Å
240	G	88.1	Confident	90.4	Very high	25 Å²	25	45.7 Å²	45.7	26%	0.258	27%	0.27	S	S	.	.	S	Bend	trans	78.3	10.6	-174.3	0	0	0	0	0	114.9	N237	N237-G240 PolarHBondContact O-N 2.8Å; N237-G240 PolarHBondContact OD1-N 3.24Å; N237-G240 VanDerWaalsContact OD1-N 3.14Å
241	A	89.6	Confident	90.4	Very high	47 Å²	47	48.4 Å²	48.4	39%	0.388	27%	0.269	S	S	.	.			trans	-90.1	147.8	174.5	0	0	0	0	0	111.7	N237 E239	N237-A241 VanDerWaalsContact CG-O 3.29Å; N237-A241 PolarHBondContact N-O 2.93Å; N237-A241 WeakPolarHBondContact OD1-CA 3.45Å; N237-A241 PolarHBondContact OD1-N 2.85Å; N237-A241 PolarHBondContact OD1-O 2.89Å; E239-A241 VanDerWaalsContact C-N 3.31Å
242	S	88.1	Confident	90.4	Very high	52 Å²	52	51.3 Å²	51.3	36%	0.364	29%	0.289	S	S	.	.			trans	-96.8	123.2	170.9	-170.1	0	0	0	0	110.7	F235 R244	F235-S242 VanDerWaalsContact O-CA 3.25Å; F235-S242 WeakPolarHBondContact O-CA 3.35Å; F235-S242 WeakPolarHBondContact O-CB 3.38Å; F235-S242 PolarHBondContact O-OG 3.44Å; S242-R244 PolarHBondContact OG-O 2.96Å
243	Q	85.2	Confident	90.4	Very high	151 Å²	151	49.8 Å²	49.8	71%	0.706	28%	0.281	S	S	*	.	S	Bend	trans	-90.8	-11.3	173.5	-66.2	-174.5	-1	0	0	113.2
244	R	85.4	Confident	90.3	Very high	73 Å²	73	51.6 Å²	51.6	28%	0.275	29%	0.291	S	S	.	.	S	Bend	trans	-125.3	153.5	-177	-55.1	-174.9	-162.5	170	14.3	110.1	E223 F235 S242	E223-R244 IonicContact OE1-CZ 3.66Å; E223-R244 IonicContact OE1-NE 3.29Å; E223-R244 PolarHBondContact OE1-NE 3.3Å; E223-R244 IonicContact OE1-NH2 2.84Å; E223-R244 PolarHBondContact OE1-NH2 3.14Å; E223-R244 VanDerWaalsContact OE1-NH2 3.1Å; E223-R244 IonicContact OE2-CZ 2.62Å; E223-R244 IonicContact OE2-NH2 3.3Å; E223-R244 PolarHBondContact OE2-NH2 2.94Å; F235-R244 HydrophobicContact CB-CB 4.46Å; F235-R244 HydrophobicContact CD2-CB 3.85Å; F235-R244 HydrophobicContact CE2-CB 4.36Å; F235-R244 HydrophobicContact CG-CB 4.18Å; S242-R244 PolarHBondContact OG-O 2.96Å
245	A	88.4	Confident	90.2	Very high	51 Å²	51	50.2 Å²	50.2	42%	0.421	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-65.3	149.1	170.4	0	0	0	0	0	110.2	F235 Q279	F235-A245 WeakPolarHBondContact CD2-O 3.45Å; F235-A245 WeakPolarHBondContact CE2-O 3.48Å; A245-Q279 HydrophobicContact CB-CG 3.99Å; A245-Q279 WeakPolarHBondContact O-CG 3.36Å
246	P	91.7	Very high	90.2	Very high	47 Å²	47	50.6 Å²	50.6	31%	0.305	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-63.8	153.9	175.6	22.9	-30.4	0	0	0	112.3	L232 G233 M234	L232-P246 HydrophobicContact CB-CB 4.41Å; L232-P246 HydrophobicContact CD2-CB 4.4Å; G233-P246 VanDerWaalsContact O-CA 3.28Å; G233-P246 WeakPolarHBondContact O-CA 3.44Å; M234-P246 HydrophobicContact SD-CB 3.62Å; M234-P246 HydrophobicContact SD-CG 4.09Å
247	V	92.9	Very high	90.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132	169.1	172.5	0	0	0	0	109.3	G233 F235 W249 H274	G233-V247 PolarHBondContact N-O 2.79Å; G233-V247 PolarHBondContact O-N 3.08Å; F235-V247 HydrophobicContact CE2-CG2 3.9Å; F235-V247 HydrophobicContact CZ-CG2 3.89Å; V247-W249 HydrophobicContact CG1-CE3 4.46Å; V247-H274 HydrophobicContact CG1-CB 3.35Å; V247-H274 HydrophobicContact CG2-CB 4.38Å
248	N	91.9	Very high	90	Very high	113 Å²	113	50.2 Å²	50.2	60%	0.604	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	113.5	174.5	-67.4	-18.8	0	0	0	110	L232 H274	L232-N248 WeakPolarHBondContact CD2-OD1 3.21Å; N248-H274 PolarHBondContact O-CE1 2.82Å
249	W	92.5	Very high	89.9	Confident	22 Å²	22	50.2 Å²	50.2	8%	0.083	29%	0.288	C	S	.	.			trans	-126.3	-177.8	176	58.6	33.3	0	0	0	111.8	L225 A227 G231 G233 V247 V253 A256 V263 A265	L225-W249 HydrophobicContact CD1-CH2 4.03Å; L225-W249 HydrophobicContact CD1-CZ3 4.25Å; L225-W249 HydrophobicContact CD2-CH2 4.03Å; L225-W249 HydrophobicContact CD2-CZ3 3.99Å; L225-W249 HydrophobicContact CG-CH2 3.95Å; L225-W249 HydrophobicContact CG-CZ3 4.33Å; A227-W249 HydrophobicContact CB-CZ2 4.13Å; G231-W249 CarbonylContact O-C 2.9Å; G231-W249 PolarHBondContact O-N 3.1Å; G233-W249 VanDerWaalsContact CA-CH2 3.42Å; V247-W249 HydrophobicContact CG1-CE3 4.46Å; W249-V253 HydrophobicContact CZ2-CG1 4.43Å; W249-A256 HydrophobicContact CH2-CB 4.19Å; W249-A256 HydrophobicContact CZ3-CB 4.11Å; W249-V263 HydrophobicContact CE3-CG1 4.25Å; W249-V263 HydrophobicContact CZ3-CG1 3.78Å; W249-A265 HydrophobicContact CB-CB 4.23Å; W249-A265 HydrophobicContact CD2-CB 4.27Å; W249-A265 HydrophobicContact CE3-CB 3.76Å; W249-A265 HydrophobicContact CZ3-CB 4.43Å
250	S	88.7	Confident	89.6	Confident	32 Å²	32	47 Å²	47	22%	0.224	27%	0.272	C	S	.	.			trans	-63.5	143.8	178.7	-172.1	0	0	0	0	111.9	S252 V253 D267	S250-S252 PolarHBondContact O-N 3.45Å; S250-S252 PolarHBondContact OG-N 3.36Å; S250-S252 PolarHBondContact OG-OG 3.31Å; S250-V253 WeakPolarHBondContact O-CB 3.39Å; S250-V253 PolarHBondContact O-N 3.45Å; S250-D267 WeakPolarHBondContact CB-OD2 3.4Å; S250-D267 PolarHBondContact OG-OD2 2.92Å
251	E	87.4	Confident	89.5	Confident	109 Å²	109	46.6 Å²	46.6	51%	0.509	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.9	173	-73.7	-159.8	-156.9	0	0	113.1	R212 V253	R212-E251 IonicContact CZ-OE2 3.05Å; R212-E251 PolarHBondContact NH1-O 2.86Å; R212-E251 IonicContact NH1-OE2 2.94Å; R212-E251 IonicContact NH2-OE2 3.58Å; R212-E251 PolarHBondContact NH2-OE2 2.7Å; E251-V253 VanDerWaalsContact C-N 3.28Å; E251-V253 PolarHBondContact O-N 2.89Å
252	S	88	Confident	89.5	Confident	63 Å²	63	45 Å²	45	44%	0.441	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	23.3	177.1	45	0	0	0	0	113.3	S250 I254 D267	S250-S252 PolarHBondContact O-N 3.45Å; S250-S252 PolarHBondContact OG-N 3.36Å; S250-S252 PolarHBondContact OG-OG 3.31Å; S252-I254 WeakPolarHBondContact O-CG1 3.36Å; S252-I254 PolarHBondContact O-N 2.9Å; S252-D267 PolarHBondContact OG-OD2 2.8Å
253	V	91.4	Very high	89.8	Confident	20 Å²	20	42.5 Å²	42.5	12%	0.121	23%	0.231	C	C	.	.			trans	-56.9	127.1	175.7	66.5	0	0	0	0	110.8	I215 W249 S250 E251 A265	I215-V253 HydrophobicContact CD1-CB 4.42Å; I215-V253 HydrophobicContact CD1-CG1 3.82Å; I215-V253 HydrophobicContact CD1-CG2 3.85Å; W249-V253 HydrophobicContact CZ2-CG1 4.43Å; S250-V253 WeakPolarHBondContact O-CB 3.39Å; S250-V253 PolarHBondContact O-N 3.45Å; E251-V253 VanDerWaalsContact C-N 3.28Å; E251-V253 PolarHBondContact O-N 2.89Å; V253-A265 HydrophobicContact CG2-CB 3.9Å
254	I	90.6	Very high	90.2	Very high	39 Å²	39	35.3 Å²	35.3	20%	0.2	20%	0.197	C	C	.	.			trans	-95.5	-39.3	-175.9	-54.6	175.4	0	0	0	110.4	S252 L266 E268	S252-I254 WeakPolarHBondContact O-CG1 3.36Å; S252-I254 PolarHBondContact O-N 2.9Å; I254-L266 PolarHBondContact N-O 3Å; I254-E268 HydrophobicContact CD1-CB 4.43Å; I254-E268 HydrophobicContact CD1-CG 3.8Å
255	A	92.1	Very high	90.7	Very high	17 Å²	17	31.9 Å²	31.9	14%	0.14	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	157	-176.4	0	0	0	0	0	110.5	L266 L293	A255-L266 HydrophobicContact CB-CB 4.47Å; A255-L266 PolarHBondContact O-N 2.92Å; A255-L293 HydrophobicContact CB-CB 3.83Å
256	A	94	Very high	91	Very high	9 Å²	9	29.5 Å²	29.5	7%	0.074	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.4	175	0	0	0	0	0	110.5	I215 L225 W249 V264	I215-A256 HydrophobicContact CD1-CB 4.46Å; I215-A256 HydrophobicContact CG2-CB 3.91Å; L225-A256 HydrophobicContact CD2-CB 4Å; W249-A256 HydrophobicContact CH2-CB 4.19Å; W249-A256 HydrophobicContact CZ3-CB 4.11Å; A256-V264 CarbonylContact C-O 3.47Å; A256-V264 WeakPolarHBondContact CA-O 3.42Å
257	A	93.4	Very high	91	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	159.2	173.1	0	0	0	0	0	110	V264 L293 D295 V300	A257-V264 PolarHBondContact N-O 2.82Å; A257-V264 PolarHBondContact O-N 2.82Å; A257-L293 HydrophobicContact CB-CD1 3.71Å; A257-L293 HydrophobicContact CB-CD2 4.12Å; A257-L293 HydrophobicContact CB-CG 3.59Å; A257-D295 WeakPolarHBondContact CA-OD1 3.39Å; A257-D295 HydrophobicContact CB-CB 4.19Å; A257-D295 WeakPolarHBondContact CB-OD1 3.29Å; A257-V300 HydrophobicContact CB-CG1 3.9Å
258	V	90	Very high	90.6	Very high	16 Å²	16	33.4 Å²	33.4	10%	0.097	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.6	-177.8	-178.3	0	0	0	0	109.8	I219 L225 V263 M276 D295	I219-V258 HydrophobicContact CB-CG2 4.49Å; I219-V258 HydrophobicContact CG1-CG2 4.18Å; I219-V258 HydrophobicContact CG2-CB 4.5Å; I219-V258 HydrophobicContact CG2-CG1 3.77Å; I219-V258 HydrophobicContact CG2-CG2 4.14Å; L225-V258 HydrophobicContact CD2-CG2 4.28Å; V258-V263 HydrophobicContact CG2-CG2 4.49Å; V258-M276 HydrophobicContact CG1-CE 3.72Å; V258-M276 HydrophobicContact CG1-SD 4.17Å; V258-D295 PolarHBondContact N-OD1 2.94Å; V258-D295 WeakPolarHBondContact O-CB 3.47Å
259	C	88.9	Confident	90.4	Very high	21 Å²	21	32.4 Å²	32.4	14%	0.142	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	92.3	167.2	174.5	0	0	0	0	107.5	F6 Y262 V300	F6-C259 HydrophobicContact CE1-CB 4.25Å; F6-C259 HydrophobicContact CZ-CB 3.92Å; C259-Y262 CarbonylContact C-O 3.6Å; C259-Y262 PolarHBondContact N-O 3.14Å; C259-Y262 WeakPolarHBondContact O-CA 3.24Å; C259-Y262 WeakPolarHBondContact O-CB 3.3Å; C259-Y262 PolarHBondContact O-N 3.43Å; C259-V300 HydrophobicContact CB-CG2 3.49Å; C259-V300 VanDerWaalsContact CB-CG2 3.49Å
260	F	83.3	Confident	90.4	Very high	81 Å²	81	34.3 Å²	34.3	36%	0.355	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	130.1	-171.8	-178	-86	0	0	0	112	M276 L277 G338	F260-M276 HydrophobicContact CB-CE 4.04Å; F260-M276 HydrophobicContact CD2-CE 3.62Å; F260-M276 HydrophobicContact CE2-CE 4.49Å; F260-M276 HydrophobicContact CG-CE 4.2Å; F260-L277 HydrophobicContact CZ-CD2 4.45Å; F260-G338 WeakPolarHBondContact CE1-O 3.47Å
261	P	85.7	Confident	90.7	Very high	15 Å²	15	32.9 Å²	32.9	10%	0.097	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.4	18.9	9.3	36.9	-36.5	0	0	0	115.4	M276 L277 L335	P261-M276 VanDerWaalsContact O-CB 3.29Å; P261-M276 WeakPolarHBondContact O-CB 3.18Å; P261-M276 WeakPolarHBondContact O-CG 3.28Å; P261-M276 PolarHBondContact O-N 3.21Å; P261-L277 HydrophobicContact CB-CD1 3.81Å; P261-L277 HydrophobicContact CB-CD2 4.32Å; P261-L277 HydrophobicContact CB-CG 3.86Å; P261-L277 HydrophobicContact CG-CD1 4.22Å; P261-L335 HydrophobicContact CG-CD1 3.78Å
262	Y	90.6	Very high	91.1	Very high	13 Å²	13	28.3 Å²	28.3	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	147	-174.3	-53.9	-72	0	0	0	114.2	A5 F6 C259 I273 H274 K282 Q319 L335	A5-Y262 HydrophobicContact CB-CD1 4.45Å; A5-Y262 HydrophobicContact CB-CD2 4.37Å; A5-Y262 HydrophobicContact CB-CE1 4.11Å; A5-Y262 HydrophobicContact CB-CE2 4.03Å; F6-Y262 AromaticContact CE2-CD2 3.64Å; F6-Y262 HydrophobicContact CE2-CD2 3.64Å; F6-Y262 HydrophobicContact CE2-CE2 4.48Å; F6-Y262 AromaticContact CE2-CG 3.84Å; F6-Y262 HydrophobicContact CE2-CG 3.84Å; F6-Y262 AromaticContact CZ-CD2 3.88Å; F6-Y262 HydrophobicContact CZ-CD2 3.88Å; F6-Y262 HydrophobicContact CZ-CG 4.36Å; C259-Y262 CarbonylContact C-O 3.6Å; C259-Y262 PolarHBondContact N-O 3.14Å; C259-Y262 WeakPolarHBondContact O-CA 3.24Å; C259-Y262 WeakPolarHBondContact O-CB 3.3Å; C259-Y262 PolarHBondContact O-N 3.43Å; Y262-I273 HydrophobicContact CD1-CG2 3.88Å; Y262-I273 HydrophobicContact CG-CG2 3.95Å; Y262-H274 CarbonylContact C-O 3.49Å; Y262-H274 VanDerWaalsContact CA-O 3.25Å; Y262-H274 WeakPolarHBondContact CA-O 3.34Å; Y262-K282 HydrophobicContact CD1-CG 4.5Å; Y262-K282 HydrophobicContact CE1-CG 4.16Å; Y262-Q319 PolarHBondContact OH-OE1 3.03Å; Y262-L335 WeakPolarHBondContact OH-CD1 3.37Å
263	V	92.8	Very high	91.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.2	163.9	170.6	0	0	0	0	107.8	L225 F235 W249 V258 H274 M276	L225-V263 HydrophobicContact CD2-CG1 3.76Å; L225-V263 HydrophobicContact CD2-CG2 4.24Å; F235-V263 HydrophobicContact CE1-CG2 4.41Å; F235-V263 HydrophobicContact CZ-CG2 4.34Å; W249-V263 HydrophobicContact CE3-CG1 4.25Å; W249-V263 HydrophobicContact CZ3-CG1 3.78Å; V258-V263 HydrophobicContact CG2-CG2 4.49Å; V263-H274 PolarHBondContact N-O 2.7Å; V263-H274 PolarHBondContact O-N 3.34Å; V263-M276 HydrophobicContact CB-CG 4.5Å; V263-M276 HydrophobicContact CG2-CG 3.48Å; V263-M276 VanDerWaalsContact CG2-CG 3.48Å; V263-M276 HydrophobicContact CG2-SD 3.72Å
264	V	95.1	Very high	91.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.4	176.2	-174.4	0	0	0	0	107.4	F6 A256 A257 V271 T272 I273 L293 V300 L311	F6-V264 HydrophobicContact CE2-CG2 4.38Å; A256-V264 CarbonylContact C-O 3.47Å; A256-V264 WeakPolarHBondContact CA-O 3.42Å; A257-V264 PolarHBondContact N-O 2.82Å; A257-V264 PolarHBondContact O-N 2.82Å; V264-V271 HydrophobicContact CG1-CG1 3.32Å; V264-T272 WeakPolarHBondContact CA-O 3.49Å; V264-I273 HydrophobicContact CG1-CG1 4.44Å; V264-I273 HydrophobicContact CG2-CG1 4.24Å; V264-L293 HydrophobicContact CB-CD2 4.11Å; V264-L293 HydrophobicContact CG1-CD1 4.09Å; V264-L293 HydrophobicContact CG1-CD2 3.75Å; V264-L293 VanDerWaalsContact O-CD2 3.3Å; V264-L293 WeakPolarHBondContact O-CD2 3.29Å; V264-V300 HydrophobicContact CG2-CG1 4.43Å; V264-L311 HydrophobicContact CG1-CD1 3.62Å; V264-L311 HydrophobicContact CG2-CD1 4.27Å
265	A	94.7	Very high	91.4	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.3	177.1	0	0	0	0	0	109.8	W249 V253 V271 T272	W249-A265 HydrophobicContact CB-CB 4.23Å; W249-A265 HydrophobicContact CD2-CB 4.27Å; W249-A265 HydrophobicContact CE3-CB 3.76Å; W249-A265 HydrophobicContact CZ3-CB 4.43Å; V253-A265 HydrophobicContact CG2-CB 3.9Å; A265-V271 WeakPolarHBondContact O-CA 3.39Å; A265-T272 PolarHBondContact N-O 2.86Å; A265-T272 PolarHBondContact O-N 2.82Å; A265-T272 PolarHBondContact O-OG1 3.45Å
266	L	94.6	Very high	91.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.7	179.6	175.3	64.7	0	0	0	110.4	I254 A255 V271 F287 L293 L302	I254-L266 PolarHBondContact N-O 3Å; A255-L266 HydrophobicContact CB-CB 4.47Å; A255-L266 PolarHBondContact O-N 2.92Å; L266-V271 HydrophobicContact CD1-CG2 3.57Å; L266-F287 HydrophobicContact CD1-CD1 3.86Å; L266-F287 HydrophobicContact CD1-CE1 4.4Å; L266-L293 HydrophobicContact CB-CB 3.93Å; L266-L293 HydrophobicContact CB-CD2 3.75Å; L266-L293 HydrophobicContact CB-CG 4.47Å; L266-L293 HydrophobicContact CD2-CB 3.99Å; L266-L302 HydrophobicContact CD1-CD2 4.04Å; L266-L302 HydrophobicContact CD2-CD2 4.41Å
267	D	91.6	Very high	90.7	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.037	12%	0.123	C	C	.	.			trans	-109.5	178.6	168.3	-165.2	-82	0	0	0	109.6	S250 S252 N269 F270	S250-D267 WeakPolarHBondContact CB-OD2 3.4Å; S250-D267 PolarHBondContact OG-OD2 2.92Å; S252-D267 PolarHBondContact OG-OD2 2.8Å; D267-N269 VanDerWaalsContact C-N 3.26Å; D267-N269 PolarHBondContact O-N 3.3Å; D267-F270 HydrophobicContact CB-CD1 4.32Å; D267-F270 HydrophobicContact CB-CD2 3.82Å; D267-F270 HydrophobicContact CB-CE1 4.07Å; D267-F270 HydrophobicContact CB-CE2 3.56Å; D267-F270 HydrophobicContact CB-CG 4.21Å; D267-F270 HydrophobicContact CB-CZ 3.69Å; D267-F270 WeakPolarHBondContact CB-O 3.38Å; D267-F270 PolarHBondContact N-O 3.04Å
268	E	85.3	Confident	90.3	Very high	122 Å²	122	26.1 Å²	26.1	57%	0.57	13%	0.132	S	C	*	.	S	Bend	trans	-62.1	-33.7	178.4	-67.9	-172.2	163.6	0	0	112.7	I254 D289	I254-E268 HydrophobicContact CD1-CB 4.43Å; I254-E268 HydrophobicContact CD1-CG 3.8Å; E268-D289 PolarHBondContact O-N 3.26Å
269	N	88.4	Confident	90.2	Very high	91 Å²	91	28 Å²	28	49%	0.487	14%	0.139	S	C	.	.	S	Bend	trans	-119.9	-13.9	-170.3	-68	-59.4	0	0	0	115	D267 F287	D267-N269 VanDerWaalsContact C-N 3.26Å; D267-N269 PolarHBondContact O-N 3.3Å; N269-F287 CarbonylContact C-O 3.6Å; N269-F287 VanDerWaalsContact CA-O 3.31Å; N269-F287 WeakPolarHBondContact CA-O 3.16Å; N269-F287 CarbonylContact O-C 3.59Å; N269-F287 PolarHBondContact O-N 3.32Å
270	F	92.9	Very high	90.1	Very high	63 Å²	63	32.4 Å²	32.4	28%	0.276	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160.2	-175.2	56.2	-96	0	0	0	111.9	D267 T272 T284 L285 F287	D267-F270 HydrophobicContact CB-CD1 4.32Å; D267-F270 HydrophobicContact CB-CD2 3.82Å; D267-F270 HydrophobicContact CB-CE1 4.07Å; D267-F270 HydrophobicContact CB-CE2 3.56Å; D267-F270 HydrophobicContact CB-CG 4.21Å; D267-F270 HydrophobicContact CB-CZ 3.69Å; D267-F270 WeakPolarHBondContact CB-O 3.38Å; D267-F270 PolarHBondContact N-O 3.04Å; F270-T272 HydrophobicContact CD2-CG2 3.69Å; F270-T272 HydrophobicContact CE2-CG2 3.75Å; F270-T284 HydrophobicContact CB-CG2 4.07Å; F270-T284 HydrophobicContact CD2-CG2 4.36Å; F270-T284 HydrophobicContact CG-CG2 4.4Å; F270-L285 CarbonylContact C-O 3.51Å; F270-L285 WeakPolarHBondContact CA-O 3.37Å; F270-L285 WeakPolarHBondContact CB-O 3.45Å; F270-F287 PolarHBondContact N-O 3.42Å
271	V	94.8	Very high	90.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.4	170.1	175.8	0	0	0	0	107.5	V264 A265 L266 T284 L285 F287 L302 L311	V264-V271 HydrophobicContact CG1-CG1 3.32Å; A265-V271 WeakPolarHBondContact O-CA 3.39Å; L266-V271 HydrophobicContact CD1-CG2 3.57Å; V271-T284 CarbonylContact O-C 3.57Å; V271-T284 WeakPolarHBondContact O-CA 3.29Å; V271-L285 HydrophobicContact CB-CB 4.28Å; V271-L285 PolarHBondContact N-O 2.6Å; V271-L285 PolarHBondContact O-N 3.13Å; V271-F287 HydrophobicContact CG2-CB 3.93Å; V271-F287 HydrophobicContact CG2-CD1 4.26Å; V271-F287 HydrophobicContact CG2-CG 4.32Å; V271-L302 HydrophobicContact CG2-CD1 4.08Å; V271-L302 HydrophobicContact CG2-CD2 3.7Å; V271-L311 HydrophobicContact CG1-CD1 4.33Å
272	T	94.4	Very high	90.7	Very high	13 Å²	13	32.4 Å²	32.4	8%	0.08	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.7	173.9	53	0	0	0	0	110.5	V264 A265 F270 H274 L281 T284	V264-T272 WeakPolarHBondContact CA-O 3.49Å; A265-T272 PolarHBondContact N-O 2.86Å; A265-T272 PolarHBondContact O-N 2.82Å; A265-T272 PolarHBondContact O-OG1 3.45Å; F270-T272 HydrophobicContact CD2-CG2 3.69Å; F270-T272 HydrophobicContact CE2-CG2 3.75Å; T272-H274 VanDerWaalsContact CB-NE2 3.33Å; T272-H274 WeakPolarHBondContact CB-NE2 3.33Å; T272-H274 PolarHBondContact OG1-NE2 2.67Å; T272-L281 HydrophobicContact CG2-CD1 3.88Å; T272-T284 HydrophobicContact CG2-CG2 4.31Å
273	I	94.4	Very high	90.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	177.2	-61.6	121.2	0	0	0	107.8	A5 F6 Y262 V264 K282 Q283 L285	A5-I273 HydrophobicContact CB-CG2 4.19Å; F6-I273 HydrophobicContact CB-CD1 4.49Å; F6-I273 HydrophobicContact CD2-CB 4.47Å; F6-I273 HydrophobicContact CD2-CD1 4.14Å; F6-I273 HydrophobicContact CD2-CG1 3.88Å; F6-I273 HydrophobicContact CD2-CG2 3.82Å; F6-I273 HydrophobicContact CE2-CG1 4.38Å; F6-I273 HydrophobicContact CE2-CG2 3.7Å; Y262-I273 HydrophobicContact CD1-CG2 3.88Å; Y262-I273 HydrophobicContact CG-CG2 3.95Å; V264-I273 HydrophobicContact CG1-CG1 4.44Å; V264-I273 HydrophobicContact CG2-CG1 4.24Å; I273-K282 PolarHBondContact O-N 3.43Å; I273-Q283 HydrophobicContact CB-CB 4.18Å; I273-Q283 HydrophobicContact CD1-CB 3.72Å; I273-Q283 HydrophobicContact CD1-CG 3.79Å; I273-Q283 PolarHBondContact N-O 2.76Å; I273-Q283 PolarHBondContact O-N 3.19Å; I273-L285 HydrophobicContact CD1-CD1 3.88Å; I273-L285 HydrophobicContact CD1-CG 4.17Å
274	H	92.3	Very high	90.8	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.019	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.2	-179.1	-57.8	-88.2	0	0	0	109.7	V247 N248 Y262 V263 T272 Q280	V247-H274 HydrophobicContact CG1-CB 3.35Å; V247-H274 HydrophobicContact CG2-CB 4.38Å; N248-H274 PolarHBondContact O-CE1 2.82Å; Y262-H274 CarbonylContact C-O 3.49Å; Y262-H274 VanDerWaalsContact CA-O 3.25Å; Y262-H274 WeakPolarHBondContact CA-O 3.34Å; V263-H274 PolarHBondContact N-O 2.7Å; V263-H274 PolarHBondContact O-N 3.34Å; T272-H274 VanDerWaalsContact CB-NE2 3.33Å; T272-H274 WeakPolarHBondContact CB-NE2 3.33Å; T272-H274 PolarHBondContact OG1-NE2 2.67Å; H274-Q280 WeakPolarHBondContact CA-O 3.15Å
275	S	89.3	Confident	90.7	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.9	175.5	154.1	0	0	0	0	110.3	L277 D278 Q279 Q280	S275-L277 PolarHBondContact O-N 2.91Å; S275-L277 PolarHBondContact OG-N 3.26Å; S275-D278 WeakPolarHBondContact CB-OD1 3.47Å; S275-D278 PolarHBondContact OG-N 3.37Å; S275-D278 PolarHBondContact OG-OD1 2.83Å; S275-Q279 WeakPolarHBondContact O-CA 3.48Å; S275-Q279 PolarHBondContact O-N 2.63Å; S275-Q280 PolarHBondContact N-O 3.17Å
276	M	87	Confident	90.5	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.3	174.4	-65.5	-171.6	-80	0	0	113	I219 F235 V258 F260 P261 V263 Q279	I219-M276 HydrophobicContact CG2-SD 3.93Å; F235-M276 HydrophobicContact CE1-CG 4.28Å; F235-M276 HydrophobicContact CE1-SD 4.11Å; F235-M276 HydrophobicContact CZ-CG 4.2Å; V258-M276 HydrophobicContact CG1-CE 3.72Å; V258-M276 HydrophobicContact CG1-SD 4.17Å; F260-M276 HydrophobicContact CB-CE 4.04Å; F260-M276 HydrophobicContact CD2-CE 3.62Å; F260-M276 HydrophobicContact CE2-CE 4.49Å; F260-M276 HydrophobicContact CG-CE 4.2Å; P261-M276 VanDerWaalsContact O-CB 3.29Å; P261-M276 WeakPolarHBondContact O-CB 3.18Å; P261-M276 WeakPolarHBondContact O-CG 3.28Å; P261-M276 PolarHBondContact O-N 3.21Å; V263-M276 HydrophobicContact CB-CG 4.5Å; V263-M276 HydrophobicContact CG2-CG 3.48Å; V263-M276 VanDerWaalsContact CG2-CG 3.48Å; V263-M276 HydrophobicContact CG2-SD 3.72Å; M276-Q279 PolarHBondContact O-NE2 2.82Å
277	L	85.4	Confident	90.4	Very high	53 Å²	53	42.8 Å²	42.8	28%	0.277	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-43.7	-176	-56.6	175.4	0	0	0	111.3	F260 P261 S275 Q279 V334	F260-L277 HydrophobicContact CZ-CD2 4.45Å; P261-L277 HydrophobicContact CB-CD1 3.81Å; P261-L277 HydrophobicContact CB-CD2 4.32Å; P261-L277 HydrophobicContact CB-CG 3.86Å; P261-L277 HydrophobicContact CG-CD1 4.22Å; S275-L277 PolarHBondContact O-N 2.91Å; S275-L277 PolarHBondContact OG-N 3.26Å; L277-Q279 PolarHBondContact O-NE2 2.67Å; L277-Q279 VanDerWaalsContact O-NE2 3.14Å; L277-V334 HydrophobicContact CB-CG1 3.62Å; L277-V334 HydrophobicContact CD1-CG1 4.05Å; L277-V334 HydrophobicContact CG-CG1 4.44Å
278	D	84.5	Confident	90.2	Very high	37 Å²	37	52.1 Å²	52.1	20%	0.198	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	3	-177.2	69.8	-18.8	0	0	0	114.1	S275 Q280 K282	S275-D278 WeakPolarHBondContact CB-OD1 3.47Å; S275-D278 PolarHBondContact OG-N 3.37Å; S275-D278 PolarHBondContact OG-OD1 2.83Å; D278-Q280 PolarHBondContact O-N 2.84Å; D278-Q280 PolarHBondContact OD1-N 3.44Å; D278-K282 VanDerWaalsContact OD1-CE 3.25Å; D278-K282 WeakPolarHBondContact OD1-CE 3.43Å; D278-K282 IonicContact OD1-NZ 3.83Å; D278-K282 PolarHBondContact OD1-NZ 2.9Å; D278-K282 WeakPolarHBondContact OD2-CE 3.39Å; D278-K282 IonicContact OD2-NZ 3.55Å; D278-K282 PolarHBondContact OD2-NZ 3.48Å
279	Q	87.7	Confident	90.2	Very high	54 Å²	54	51.6 Å²	51.6	25%	0.252	26%	0.262	S	S	.	.			trans	59.6	18.7	175.6	-57.1	78.5	47.1	0	0	114.7	A245 S275 M276 L277	A245-Q279 HydrophobicContact CB-CG 3.99Å; A245-Q279 WeakPolarHBondContact O-CG 3.36Å; S275-Q279 WeakPolarHBondContact O-CA 3.48Å; S275-Q279 PolarHBondContact O-N 2.63Å; M276-Q279 PolarHBondContact O-NE2 2.82Å; L277-Q279 PolarHBondContact O-NE2 2.67Å; L277-Q279 VanDerWaalsContact O-NE2 3.14Å
280	Q	88.1	Confident	90.2	Very high	115 Å²	115	47.4 Å²	47.4	54%	0.537	24%	0.241	S	C	.	.			trans	-93.4	147.3	179.1	-67.3	-70.9	-37.9	0	0	112	H274 S275 D278 K282	H274-Q280 WeakPolarHBondContact CA-O 3.15Å; S275-Q280 PolarHBondContact N-O 3.17Å; D278-Q280 PolarHBondContact O-N 2.84Å; D278-Q280 PolarHBondContact OD1-N 3.44Å; Q280-K282 PolarHBondContact O-N 2.9Å
281	L	91.2	Very high	89.9	Confident	81 Å²	81	51.2 Å²	51.2	42%	0.424	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	116.2	168.4	175.5	67.2	0	0	0	109.8	T272	T272-L281 HydrophobicContact CG2-CD1 3.88Å
282	K	89.5	Confident	89.8	Confident	14 Å²	14	52.7 Å²	52.7	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-34.3	-177.8	-61.3	-58.1	-174.9	173.9	0	113.3	S2 V3 Y262 I273 D278 Q280 E331	S2-K282 CarbonylContact C-O 3.53Å; S2-K282 WeakPolarHBondContact CB-O 3.41Å; V3-K282 PolarHBondContact N-O 2.83Å; V3-K282 VanDerWaalsContact N-O 3.11Å; Y262-K282 HydrophobicContact CD1-CG 4.5Å; Y262-K282 HydrophobicContact CE1-CG 4.16Å; I273-K282 PolarHBondContact O-N 3.43Å; D278-K282 VanDerWaalsContact OD1-CE 3.25Å; D278-K282 WeakPolarHBondContact OD1-CE 3.43Å; D278-K282 IonicContact OD1-NZ 3.83Å; D278-K282 PolarHBondContact OD1-NZ 2.9Å; D278-K282 WeakPolarHBondContact OD2-CE 3.39Å; D278-K282 IonicContact OD2-NZ 3.55Å; D278-K282 PolarHBondContact OD2-NZ 3.48Å; Q280-K282 PolarHBondContact O-N 2.9Å; K282-E331 IonicContact NZ-OE2 2.69Å; K282-E331 PolarHBondContact NZ-OE2 3.22Å
283	Q	91.9	Very high	89.8	Confident	10 Å²	10	52.4 Å²	52.4	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	145.4	-177.8	-179.2	-179.9	1.4	0	0	111.2	F6 I273 L285	F6-Q283 PolarHBondContact O-NE2 3.21Å; F6-Q283 PolarHBondContact O-OE1 3.4Å; I273-Q283 HydrophobicContact CB-CB 4.18Å; I273-Q283 HydrophobicContact CD1-CB 3.72Å; I273-Q283 HydrophobicContact CD1-CG 3.79Å; I273-Q283 PolarHBondContact N-O 2.76Å; I273-Q283 PolarHBondContact O-N 3.19Å; Q283-L285 HydrophobicContact CG-CD2 4.45Å; Q283-L285 HydrophobicContact CG-CG 4.28Å
284	T	93.8	Very high	89.6	Confident	75 Å²	75	54.7 Å²	54.7	46%	0.46	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.9	169.1	-54.3	0	0	0	0	108.4	F270 V271 T272	F270-T284 HydrophobicContact CB-CG2 4.07Å; F270-T284 HydrophobicContact CD2-CG2 4.36Å; F270-T284 HydrophobicContact CG-CG2 4.4Å; V271-T284 CarbonylContact O-C 3.57Å; V271-T284 WeakPolarHBondContact O-CA 3.29Å; T272-T284 HydrophobicContact CG2-CG2 4.31Å
285	L	92.6	Very high	89.5	Confident	28 Å²	28	55.8 Å²	55.8	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.4	177	-69.6	172.1	0	0	0	108.8	L8 F270 V271 I273 Q283 F287 L311	L8-L285 HydrophobicContact CB-CD1 4.39Å; F270-L285 CarbonylContact C-O 3.51Å; F270-L285 WeakPolarHBondContact CA-O 3.37Å; F270-L285 WeakPolarHBondContact CB-O 3.45Å; V271-L285 HydrophobicContact CB-CB 4.28Å; V271-L285 PolarHBondContact N-O 2.6Å; V271-L285 PolarHBondContact O-N 3.13Å; I273-L285 HydrophobicContact CD1-CD1 3.88Å; I273-L285 HydrophobicContact CD1-CG 4.17Å; Q283-L285 HydrophobicContact CG-CD2 4.45Å; Q283-L285 HydrophobicContact CG-CG 4.28Å; L285-F287 PolarHBondContact O-N 3.1Å; L285-L311 HydrophobicContact CD1-CD2 3.51Å
286	S	91.6	Very high	89.5	Confident	111 Å²	111	56.2 Å²	56.2	78%	0.776	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.7	170.7	48	0	0	0	0	109.8
287	F	91.3	Very high	89.1	Confident	11 Å²	11	62.5 Å²	62.5	5%	0.048	31%	0.306	C	S	.	.			trans	-151.7	105.3	179.9	-171.9	-111.5	0	0	0	109.8	L8 L266 N269 F270 V271 L285 G290 L302 Y309	L8-F287 HydrophobicContact CD2-CD2 3.85Å; L8-F287 HydrophobicContact CD2-CE2 4.38Å; L266-F287 HydrophobicContact CD1-CD1 3.86Å; L266-F287 HydrophobicContact CD1-CE1 4.4Å; N269-F287 CarbonylContact C-O 3.6Å; N269-F287 VanDerWaalsContact CA-O 3.31Å; N269-F287 WeakPolarHBondContact CA-O 3.16Å; N269-F287 CarbonylContact O-C 3.59Å; N269-F287 PolarHBondContact O-N 3.32Å; F270-F287 PolarHBondContact N-O 3.42Å; V271-F287 HydrophobicContact CG2-CB 3.93Å; V271-F287 HydrophobicContact CG2-CD1 4.26Å; V271-F287 HydrophobicContact CG2-CG 4.32Å; L285-F287 PolarHBondContact O-N 3.1Å; F287-G290 VanDerWaalsContact CE1-CA 3.42Å; F287-L302 HydrophobicContact CE1-CB 4.27Å; F287-L302 HydrophobicContact CE1-CD2 4.45Å; F287-L302 HydrophobicContact CZ-CB 4.18Å; F287-Y309 AromaticContact CE2-CD2 3.45Å; F287-Y309 HydrophobicContact CE2-CD2 3.45Å; F287-Y309 VanDerWaalsContact CE2-CD2 3.45Å; F287-Y309 AromaticContact CE2-CE2 3.46Å; F287-Y309 HydrophobicContact CE2-CE2 3.46Å; F287-Y309 VanDerWaalsContact CE2-CE2 3.46Å; F287-Y309 HydrophobicContact CE2-CG 4.08Å; F287-Y309 AromaticContact CZ-CD2 3.7Å; F287-Y309 HydrophobicContact CZ-CD2 3.7Å; F287-Y309 AromaticContact CZ-CE2 3.85Å; F287-Y309 HydrophobicContact CZ-CE2 3.85Å
288	R	88.4	Confident	88.7	Confident	202 Å²	202	62.5 Å²	62.5	76%	0.762	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	148.4	-177	-62.4	-176.6	-178	-178.3	-0.2	110.8	G290	R288-G290 PolarHBondContact O-N 3.27Å
289	D	85.2	Confident	88.9	Confident	111 Å²	111	62.7 Å²	62.7	59%	0.594	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	33.4	176.7	-59.2	-42.8	0	0	0	113.5	E268 R291 S304	E268-D289 PolarHBondContact O-N 3.26Å; D289-R291 PolarHBondContact O-N 3.32Å; D289-S304 WeakPolarHBondContact O-CA 3.41Å
290	G	87.2	Confident	89.1	Confident	3 Å²	3	60.2 Å²	60.2	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.3	176.4	0	0	0	0	0	112	F287 R288	F287-G290 VanDerWaalsContact CE1-CA 3.42Å; R288-G290 PolarHBondContact O-N 3.27Å
291	R	88.1	Confident	89.4	Confident	143 Å²	143	54.7 Å²	54.7	54%	0.54	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-38.5	-178	-69.7	-63.8	-173	177.2	-2.8	113.1	D289 A303 T305	D289-R291 PolarHBondContact O-N 3.32Å; R291-A303 PolarHBondContact N-O 2.81Å; R291-T305 HydrophobicContact CG-CG2 3.78Å
292	L	91.4	Very high	89.5	Confident	32 Å²	32	50.9 Å²	50.9	17%	0.168	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.2	-174.5	-55.4	170.9	0	0	0	110.2	I26 E27 I29 L302 A303	I26-L292 HydrophobicContact CG2-CD1 4.12Å; E27-L292 WeakPolarHBondContact O-CD1 3.16Å; I29-L292 HydrophobicContact CG1-CD1 4.35Å; I29-L292 HydrophobicContact CG2-CD1 4.42Å; L292-L302 WeakPolarHBondContact O-CA 3.48Å; L292-A303 HydrophobicContact CB-CB 4.05Å; L292-A303 HydrophobicContact CD1-CB 4.09Å; L292-A303 HydrophobicContact CG-CB 4.45Å; L292-A303 PolarHBondContact N-O 3.28Å; L292-A303 PolarHBondContact O-N 3.05Å
293	L	93.9	Very high	89.6	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	118	170.3	170.4	60.3	0	0	0	107.5	A255 A257 V264 L266 V300 M301 L302	A255-L293 HydrophobicContact CB-CB 3.83Å; A257-L293 HydrophobicContact CB-CD1 3.71Å; A257-L293 HydrophobicContact CB-CD2 4.12Å; A257-L293 HydrophobicContact CB-CG 3.59Å; V264-L293 HydrophobicContact CB-CD2 4.11Å; V264-L293 HydrophobicContact CG1-CD1 4.09Å; V264-L293 HydrophobicContact CG1-CD2 3.75Å; V264-L293 VanDerWaalsContact O-CD2 3.3Å; V264-L293 WeakPolarHBondContact O-CD2 3.29Å; L266-L293 HydrophobicContact CB-CB 3.93Å; L266-L293 HydrophobicContact CB-CD2 3.75Å; L266-L293 HydrophobicContact CB-CG 4.47Å; L266-L293 HydrophobicContact CD2-CB 3.99Å; L293-V300 HydrophobicContact CD1-CG1 3.36Å; L293-M301 WeakPolarHBondContact CA-O 3.47Å; L293-L302 HydrophobicContact CB-CD2 4.12Å; L293-L302 HydrophobicContact CD1-CD2 3.67Å; L293-L302 HydrophobicContact CD1-CG 4.01Å; L293-L302 HydrophobicContact CG-CD2 4.33Å
294	Q	91.1	Very high	89.6	Confident	48 Å²	48	50.2 Å²	50.2	22%	0.224	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.7	178.4	-70.6	-168	-6.2	0	0	110.4	I29 F296 M301	I29-Q294 PolarHBondContact O-OE1 3.43Å; Q294-F296 HydrophobicContact CB-CD2 4.48Å; Q294-F296 HydrophobicContact CB-CE1 4.07Å; Q294-F296 HydrophobicContact CB-CE2 3.67Å; Q294-F296 HydrophobicContact CB-CZ 3.43Å; Q294-F296 VanDerWaalsContact CB-CZ 3.43Å; Q294-F296 HydrophobicContact CG-CZ 4.29Å; Q294-M301 PolarHBondContact N-O 2.8Å; Q294-M301 PolarHBondContact O-N 2.93Å
295	D	91	Very high	89.3	Confident	27 Å²	27	48 Å²	48	14%	0.144	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.6	168.2	50.9	-76.1	0	0	0	110.9	K217 A257 V258 K299 V300	K217-D295 VanDerWaalsContact CE-CG 3.48Å; K217-D295 WeakPolarHBondContact CE-OD1 3.07Å; K217-D295 VanDerWaalsContact CE-OD2 3.23Å; K217-D295 WeakPolarHBondContact CE-OD2 3.37Å; K217-D295 IonicContact NZ-OD1 3.33Å; K217-D295 PolarHBondContact NZ-OD1 2.84Å; K217-D295 IonicContact NZ-OD2 2.69Å; K217-D295 PolarHBondContact NZ-OD2 3Å; A257-D295 WeakPolarHBondContact CA-OD1 3.39Å; A257-D295 HydrophobicContact CB-CB 4.19Å; A257-D295 WeakPolarHBondContact CB-OD1 3.29Å; V258-D295 PolarHBondContact N-OD1 2.94Å; V258-D295 WeakPolarHBondContact O-CB 3.47Å; D295-K299 CarbonylContact C-O 2.85Å; D295-K299 VanDerWaalsContact CA-O 3.32Å; D295-K299 WeakPolarHBondContact CA-O 3.43Å; D295-V300 HydrophobicContact CB-CG2 4.24Å
296	F	88.2	Confident	89.1	Confident	15 Å²	15	51.4 Å²	51.4	7%	0.066	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	113.1	-178.3	-56.4	-72	0	0	0	109.3	I29 E30 C31 Q294 G298 K299 M301	I29-F296 HydrophobicContact CD1-CE2 3.96Å; I29-F296 HydrophobicContact CD1-CZ 4.36Å; I29-F296 HydrophobicContact CG1-CE2 4.12Å; I29-F296 HydrophobicContact CG1-CZ 4.02Å; I29-F296 WeakPolarHBondContact O-CZ 3.21Å; E30-F296 VanDerWaalsContact OE2-CE1 3.25Å; E30-F296 WeakPolarHBondContact OE2-CE1 3.1Å; C31-F296 HydrophobicContact CB-CB 3.73Å; C31-F296 HydrophobicContact CB-CD1 4.28Å; C31-F296 HydrophobicContact CB-CD2 3.64Å; C31-F296 HydrophobicContact CB-CE2 4.29Å; C31-F296 HydrophobicContact CB-CG 3.62Å; Q294-F296 HydrophobicContact CB-CD2 4.48Å; Q294-F296 HydrophobicContact CB-CE1 4.07Å; Q294-F296 HydrophobicContact CB-CE2 3.67Å; Q294-F296 HydrophobicContact CB-CZ 3.43Å; Q294-F296 VanDerWaalsContact CB-CZ 3.43Å; Q294-F296 HydrophobicContact CG-CZ 4.29Å; F296-G298 PolarHBondContact O-N 3.03Å; F296-K299 PolarHBondContact N-O 3.5Å; F296-K299 WeakPolarHBondContact O-CB 3.14Å; F296-K299 PolarHBondContact O-N 2.8Å; F296-M301 HydrophobicContact CD2-CB 4.16Å; F296-M301 HydrophobicContact CD2-CG 3.85Å; F296-M301 HydrophobicContact CD2-SD 3.74Å; F296-M301 HydrophobicContact CE2-CB 4Å; F296-M301 HydrophobicContact CE2-CG 4.15Å; F296-M301 HydrophobicContact CE2-SD 3.97Å
297	E	79.3	Confident	89.1	Confident	136 Å²	136	46.7 Å²	46.7	64%	0.636	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	38.2	176.6	-61.6	179.3	168.3	0	0	113.5	G33	G33-E297 WeakPolarHBondContact CA-OE2 3.45Å; G33-E297 PolarHBondContact N-OE2 3.32Å
298	G	77.4	Confident	89.1	Confident	53 Å²	53	46.2 Å²	46.2	55%	0.546	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-1.5	-178.4	0	0	0	0	0	116.1	F296	F296-G298 PolarHBondContact O-N 3.03Å
299	K	87.1	Confident	89.4	Confident	41 Å²	41	39.5 Å²	39.5	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.1	171.4	-57.5	-173.5	-168.9	-170.7	0	110.2	G33 E52 D295 F296	G33-K299 PolarHBondContact O-NZ 3.05Å; E52-K299 WeakPolarHBondContact OE1-CE 3.25Å; E52-K299 IonicContact OE1-NZ 3.95Å; E52-K299 PolarHBondContact OE1-NZ 3.2Å; D295-K299 CarbonylContact C-O 2.85Å; D295-K299 VanDerWaalsContact CA-O 3.32Å; D295-K299 WeakPolarHBondContact CA-O 3.43Å; F296-K299 PolarHBondContact N-O 3.5Å; F296-K299 WeakPolarHBondContact O-CB 3.14Å; F296-K299 PolarHBondContact O-N 2.8Å
300	V	93.1	Very high	89.7	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.1	173.7	-176.8	0	0	0	0	108.9	A257 C259 V264 L293 D295 L311	A257-V300 HydrophobicContact CB-CG1 3.9Å; C259-V300 HydrophobicContact CB-CG2 3.49Å; C259-V300 VanDerWaalsContact CB-CG2 3.49Å; V264-V300 HydrophobicContact CG2-CG1 4.43Å; L293-V300 HydrophobicContact CD1-CG1 3.36Å; D295-V300 HydrophobicContact CB-CG2 4.24Å; V300-L311 HydrophobicContact CB-CB 4.09Å; V300-L311 HydrophobicContact CB-CD1 4.4Å; V300-L311 HydrophobicContact CG1-CB 4.37Å; V300-L311 HydrophobicContact CG1-CD1 3.83Å; V300-L311 PolarHBondContact O-N 3.38Å
301	M	93.3	Very high	90	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.2	179.3	-57.6	-172.9	104.1	0	0	111.1	I29 C31 L36 L50 L293 Q294 F296 V308 Y309 V310	I29-M301 HydrophobicContact CD1-CB 3.82Å; C31-M301 HydrophobicContact CB-SD 3.59Å; C31-M301 VanDerWaalsContact CB-SD 3.59Å; L36-M301 HydrophobicContact CD1-CE 3.87Å; L36-M301 HydrophobicContact CD1-SD 3.88Å; L36-M301 HydrophobicContact CD2-CE 4.14Å; L50-M301 HydrophobicContact CD1-CE 3.65Å; L293-M301 WeakPolarHBondContact CA-O 3.47Å; Q294-M301 PolarHBondContact N-O 2.8Å; Q294-M301 PolarHBondContact O-N 2.93Å; F296-M301 HydrophobicContact CD2-CB 4.16Å; F296-M301 HydrophobicContact CD2-CG 3.85Å; F296-M301 HydrophobicContact CD2-SD 3.74Å; F296-M301 HydrophobicContact CE2-CB 4Å; F296-M301 HydrophobicContact CE2-CG 4.15Å; F296-M301 HydrophobicContact CE2-SD 3.97Å; M301-V308 HydrophobicContact CE-CG1 4.1Å; M301-Y309 CarbonylContact C-O 3.41Å; M301-Y309 WeakPolarHBondContact CA-O 3.48Å; M301-V310 HydrophobicContact CE-CG2 3.51Å; M301-V310 HydrophobicContact CG-CG2 4.2Å
302	L	93.9	Very high	90.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.8	177.1	-72.6	156.1	0	0	0	108.3	L8 L266 V271 F287 L292 L293 V308 Y309 L311	L8-L302 HydrophobicContact CD1-CD1 3.41Å; L8-L302 VanDerWaalsContact CD1-CD1 3.41Å; L266-L302 HydrophobicContact CD1-CD2 4.04Å; L266-L302 HydrophobicContact CD2-CD2 4.41Å; V271-L302 HydrophobicContact CG2-CD1 4.08Å; V271-L302 HydrophobicContact CG2-CD2 3.7Å; F287-L302 HydrophobicContact CE1-CB 4.27Å; F287-L302 HydrophobicContact CE1-CD2 4.45Å; F287-L302 HydrophobicContact CZ-CB 4.18Å; L292-L302 WeakPolarHBondContact O-CA 3.48Å; L293-L302 HydrophobicContact CB-CD2 4.12Å; L293-L302 HydrophobicContact CD1-CD2 3.67Å; L293-L302 HydrophobicContact CD1-CG 4.01Å; L293-L302 HydrophobicContact CG-CD2 4.33Å; L302-V308 CarbonylContact O-C 3.57Å; L302-Y309 PolarHBondContact N-O 2.82Å; L302-Y309 PolarHBondContact O-N 2.99Å; L302-L311 HydrophobicContact CD1-CD1 3.67Å; L302-L311 HydrophobicContact CD1-CD2 3.8Å; L302-L311 HydrophobicContact CD1-CG 3.48Å; L302-L311 VanDerWaalsContact CD1-CG 3.48Å; L302-L311 HydrophobicContact CG-CD1 4.23Å; L302-L311 HydrophobicContact CG-CG 4.29Å
303	A	92.4	Very high	89.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.8	169.5	0	0	0	0	0	111.3	I26 I29 R291 L292 S307 V308	I26-A303 HydrophobicContact CG2-CB 4.26Å; I29-A303 HydrophobicContact CD1-CB 4.37Å; I29-A303 HydrophobicContact CG2-CB 4.38Å; R291-A303 PolarHBondContact N-O 2.81Å; L292-A303 HydrophobicContact CB-CB 4.05Å; L292-A303 HydrophobicContact CD1-CB 4.09Å; L292-A303 HydrophobicContact CG-CB 4.45Å; L292-A303 PolarHBondContact N-O 3.28Å; L292-A303 PolarHBondContact O-N 3.05Å; A303-S307 WeakPolarHBondContact CA-O 3.36Å; A303-V308 HydrophobicContact CB-CG2 4.33Å
304	S	91.3	Very high	89.6	Confident	11 Å²	11	30 Å²	30	8%	0.077	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-179	157.9	73.7	0	0	0	0	109.1	D289 K306 S307	D289-S304 WeakPolarHBondContact O-CA 3.41Å; S304-K306 PolarHBondContact O-N 2.84Å; S304-K306 VanDerWaalsContact O-N 3.13Å; S304-K306 PolarHBondContact OG-N 3.14Å; S304-S307 PolarHBondContact N-O 3.27Å; S304-S307 PolarHBondContact OG-N 3.43Å; S304-S307 PolarHBondContact OG-O 2.97Å; S304-S307 PolarHBondContact OG-OG 2.65Å; S304-S307 VanDerWaalsContact OG-OG 3.11Å
305	T	88.6	Confident	89.3	Confident	28 Å²	28	31.4 Å²	31.4	17%	0.172	18%	0.175	C	C	.	.	S	Bend	trans	-61.5	-18.2	169.5	52.1	0	0	0	0	113.2	N25 I26 R291	N25-T305 WeakPolarHBondContact CA-O 3.42Å; I26-T305 PolarHBondContact N-O 2.92Å; R291-T305 HydrophobicContact CG-CG2 3.78Å
306	K	87.6	Confident	88.9	Confident	99 Å²	99	31.8 Å²	31.8	43%	0.43	18%	0.178	S	C	.	.	S	Bend	trans	-121.6	-21.2	-167.8	-58.9	-179.9	177.9	172.4	0	116.2	R14 M18 S304	R14-K306 WeakPolarHBondContact CA-O 3.27Å; R14-K306 HydrophobicContact CB-CB 4.49Å; R14-K306 VanDerWaalsContact NH1-CG 3.34Å; M18-K306 VanDerWaalsContact CE-CA 3.45Å; M18-K306 HydrophobicContact CE-CB 3.97Å; M18-K306 HydrophobicContact CE-CG 4.18Å; S304-K306 PolarHBondContact O-N 2.84Å; S304-K306 VanDerWaalsContact O-N 3.13Å; S304-K306 PolarHBondContact OG-N 3.14Å
307	S	90.6	Very high	88.7	Confident	13 Å²	13	35.7 Å²	35.7	9%	0.091	20%	0.196	C	C	.	.			trans	-152.2	154.5	-171.7	52	0	0	0	0	111.6	V12 A303 S304 Y309	V12-S307 CarbonylContact O-C 3.33Å; V12-S307 VanDerWaalsContact O-CA 3.27Å; V12-S307 WeakPolarHBondContact O-CA 3.48Å; V12-S307 VanDerWaalsContact O-CB 3.25Å; V12-S307 WeakPolarHBondContact O-CB 3.3Å; A303-S307 WeakPolarHBondContact CA-O 3.36Å; S304-S307 PolarHBondContact N-O 3.27Å; S304-S307 PolarHBondContact OG-N 3.43Å; S304-S307 PolarHBondContact OG-O 2.97Å; S304-S307 PolarHBondContact OG-OG 2.65Å; S304-S307 VanDerWaalsContact OG-OG 3.11Å; S307-Y309 WeakPolarHBondContact OG-CE2 3.4Å; S307-Y309 PolarHBondContact OG-OH 2.97Å; S307-Y309 VanDerWaalsContact OG-OH 3.08Å
308	V	93.1	Very high	89.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.7	178.5	-173.6	0	0	0	0	109.2	A11 V12 I26 I29 L36 V38 M301 L302 A303	A11-V308 PolarHBondContact N-O 3.25Å; V12-V308 HydrophobicContact CB-CB 4.12Å; V12-V308 HydrophobicContact CB-CG2 4.36Å; V12-V308 HydrophobicContact CG2-CB 4.23Å; V12-V308 PolarHBondContact N-O 2.77Å; V12-V308 PolarHBondContact O-N 3Å; I26-V308 HydrophobicContact CD1-CG2 3.77Å; I29-V308 HydrophobicContact CD1-CG1 4.43Å; I29-V308 HydrophobicContact CG2-CG2 4.16Å; L36-V308 HydrophobicContact CD2-CG1 4.23Å; V38-V308 HydrophobicContact CG2-CG2 4.37Å; M301-V308 HydrophobicContact CE-CG1 4.1Å; L302-V308 CarbonylContact O-C 3.57Å; A303-V308 HydrophobicContact CB-CG2 4.33Å
309	Y	93.4	Very high	89.6	Confident	61 Å²	61	33.5 Å²	33.5	24%	0.239	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.6	178.8	-56.9	-98.6	0	0	0	109.7	L8 V9 P10 F287 M301 L302 S307	L8-Y309 HydrophobicContact CD1-CD1 4.41Å; L8-Y309 HydrophobicContact CD1-CG 4.2Å; L8-Y309 HydrophobicContact CD2-CD1 4.46Å; L8-Y309 HydrophobicContact CG-CD1 4.2Å; L8-Y309 HydrophobicContact CG-CG 4.48Å; V9-Y309 CarbonylContact O-C 3.58Å; V9-Y309 VanDerWaalsContact O-CA 3.28Å; V9-Y309 WeakPolarHBondContact O-CA 3.37Å; P10-Y309 HydrophobicContact CB-CD1 3.92Å; P10-Y309 HydrophobicContact CB-CE1 3.91Å; F287-Y309 AromaticContact CE2-CD2 3.45Å; F287-Y309 HydrophobicContact CE2-CD2 3.45Å; F287-Y309 VanDerWaalsContact CE2-CD2 3.45Å; F287-Y309 AromaticContact CE2-CE2 3.46Å; F287-Y309 HydrophobicContact CE2-CE2 3.46Å; F287-Y309 VanDerWaalsContact CE2-CE2 3.46Å; F287-Y309 HydrophobicContact CE2-CG 4.08Å; F287-Y309 AromaticContact CZ-CD2 3.7Å; F287-Y309 HydrophobicContact CZ-CD2 3.7Å; F287-Y309 AromaticContact CZ-CE2 3.85Å; F287-Y309 HydrophobicContact CZ-CE2 3.85Å; M301-Y309 CarbonylContact C-O 3.41Å; M301-Y309 WeakPolarHBondContact CA-O 3.48Å; L302-Y309 PolarHBondContact N-O 2.82Å; L302-Y309 PolarHBondContact O-N 2.99Å; S307-Y309 WeakPolarHBondContact OG-CE2 3.4Å; S307-Y309 PolarHBondContact OG-OH 2.97Å; S307-Y309 VanDerWaalsContact OG-OH 3.08Å
310	V	92.6	Very high	89.7	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.4	173.5	-176.3	0	0	0	0	108.2	V9 A11 Y62 M301 V312	V9-V310 PolarHBondContact N-O 2.61Å; V9-V310 PolarHBondContact O-N 2.61Å; A11-V310 HydrophobicContact CB-CG2 3.79Å; Y62-V310 HydrophobicContact CD2-CB 4.3Å; Y62-V310 HydrophobicContact CD2-CG2 4.25Å; Y62-V310 HydrophobicContact CE2-CB 3.69Å; Y62-V310 HydrophobicContact CE2-CG1 3.88Å; Y62-V310 HydrophobicContact CE2-CG2 3.9Å; M301-V310 HydrophobicContact CE-CG2 3.51Å; M301-V310 HydrophobicContact CG-CG2 4.2Å; V310-V312 HydrophobicContact CB-CG2 4.5Å; V310-V312 HydrophobicContact CG1-CG2 4.11Å; V310-V312 PolarHBondContact O-N 3.01Å
311	L	92.6	Very high	89.5	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	103.1	165.5	-73.6	174.5	0	0	0	108.1	F6 L8 V264 V271 L285 V300 L302 P313	F6-L311 HydrophobicContact CB-CB 4.33Å; F6-L311 HydrophobicContact CB-CD2 4.09Å; F6-L311 HydrophobicContact CD1-CB 3.84Å; F6-L311 HydrophobicContact CG-CB 4.3Å; L8-L311 HydrophobicContact CB-CD2 4.26Å; L8-L311 HydrophobicContact CD1-CD2 3.78Å; L8-L311 HydrophobicContact CD1-CG 4.35Å; V264-L311 HydrophobicContact CG1-CD1 3.62Å; V264-L311 HydrophobicContact CG2-CD1 4.27Å; V271-L311 HydrophobicContact CG1-CD1 4.33Å; L285-L311 HydrophobicContact CD1-CD2 3.51Å; V300-L311 HydrophobicContact CB-CB 4.09Å; V300-L311 HydrophobicContact CB-CD1 4.4Å; V300-L311 HydrophobicContact CG1-CB 4.37Å; V300-L311 HydrophobicContact CG1-CD1 3.83Å; V300-L311 PolarHBondContact O-N 3.38Å; L302-L311 HydrophobicContact CD1-CD1 3.67Å; L302-L311 HydrophobicContact CD1-CD2 3.8Å; L302-L311 HydrophobicContact CD1-CG 3.48Å; L302-L311 VanDerWaalsContact CD1-CG 3.48Å; L302-L311 HydrophobicContact CG-CD1 4.23Å; L302-L311 HydrophobicContact CG-CG 4.29Å; L311-P313 WeakPolarHBondContact O-CD 3.44Å
312	V	89.8	Confident	89.2	Confident	14 Å²	14	38.6 Å²	38.6	9%	0.085	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.3	178.5	-178.9	0	0	0	0	108.4	F6 E7 V9 L60 Y62 V310	F6-V312 WeakPolarHBondContact CA-O 3.22Å; E7-V312 PolarHBondContact N-O 3.41Å; E7-V312 PolarHBondContact O-N 3.29Å; V9-V312 HydrophobicContact CB-CG2 4.23Å; V9-V312 HydrophobicContact CG2-CB 4.43Å; V9-V312 HydrophobicContact CG2-CG2 3.79Å; L60-V312 HydrophobicContact CB-CG1 4.12Å; L60-V312 HydrophobicContact CD1-CG1 3.47Å; L60-V312 VanDerWaalsContact CD1-CG1 3.47Å; L60-V312 HydrophobicContact CG-CG1 4.42Å; Y62-V312 HydrophobicContact CE2-CG2 3.81Å; V310-V312 HydrophobicContact CB-CG2 4.5Å; V310-V312 HydrophobicContact CG1-CG2 4.11Å; V310-V312 PolarHBondContact O-N 3.01Å
313	P	87.3	Confident	88.9	Confident	62 Å²	62	38.8 Å²	38.8	40%	0.403	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.4	175.4	26.7	-32.4	0	0	0	109.9	F6 L311	F6-P313 HydrophobicContact CD1-CB 4.08Å; F6-P313 HydrophobicContact CE1-CB 3.76Å; F6-P313 HydrophobicContact CE1-CG 4.49Å; F6-P313 HydrophobicContact CZ-CB 4.5Å; L311-P313 WeakPolarHBondContact O-CD 3.44Å
314	L	87.3	Confident	88.8	Confident	19 Å²	19	39.1 Å²	39.1	10%	0.099	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-71.4	145.5	172.2	-76.6	159.8	0	0	0	109.7	K4 A5 L316 Q319	K4-L314 HydrophobicContact CB-CD1 3.8Å; K4-L314 HydrophobicContact CD-CD1 3.84Å; K4-L314 HydrophobicContact CG-CD1 3.6Å; K4-L314 WeakPolarHBondContact O-CD1 3.33Å; A5-L314 PolarHBondContact O-N 3.37Å; L314-L316 PolarHBondContact O-N 2.69Å; L314-Q319 HydrophobicContact CB-CG 4.01Å; L314-Q319 PolarHBondContact O-NE2 3.15Å
315	P	85.5	Confident	88.5	Confident	77 Å²	77	42.2 Å²	42.2	50%	0.5	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-52.3	134.8	175.9	-26.6	34.4	0	0	0	111.4	E317 R318 Q319	P315-E317 PolarHBondContact O-N 3.47Å; P315-R318 HydrophobicContact CB-CB 4.49Å; P315-R318 WeakPolarHBondContact O-CB 3.39Å; P315-R318 PolarHBondContact O-N 3.48Å; P315-Q319 PolarHBondContact O-N 2.86Å
316	L	83.6	Confident	88.4	Confident	36 Å²	36	43 Å²	43	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-55.3	-42.1	-174.8	-178.2	73.7	0	0	0	111.7	L314 R318 Q319 I320 L335 A339 I343	L314-L316 PolarHBondContact O-N 2.69Å; L316-R318 PolarHBondContact O-N 3.01Å; L316-Q319 PolarHBondContact O-N 3.28Å; L316-Q319 VanDerWaalsContact O-N 3.14Å; L316-I320 HydrophobicContact CD1-CD1 4.29Å; L316-I320 HydrophobicContact CD2-CD1 4.13Å; L316-I320 HydrophobicContact CG-CD1 3.74Å; L316-I320 HydrophobicContact CG-CG1 4.4Å; L316-I320 WeakPolarHBondContact O-CG1 3.11Å; L316-I320 PolarHBondContact O-N 2.91Å; L316-L335 HydrophobicContact CD1-CD1 3.87Å; L316-L335 HydrophobicContact CD1-CD2 4.04Å; L316-L335 HydrophobicContact CD1-CG 3.72Å; L316-A339 HydrophobicContact CD1-CB 4.28Å; L316-A339 HydrophobicContact CD2-CB 3.25Å; L316-A339 HydrophobicContact CG-CB 4.4Å; L316-I343 HydrophobicContact CD2-CD1 3.85Å
317	E	83.8	Confident	88.4	Confident	96 Å²	96	44 Å²	44	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-58.5	-40	179.5	-62.4	78.6	-172.4	0	0	111.2	P315 I320 Q321 L351	P315-E317 PolarHBondContact O-N 3.47Å; E317-I320 PolarHBondContact O-N 3.22Å; E317-Q321 VanDerWaalsContact O-CG 3.27Å; E317-Q321 WeakPolarHBondContact O-CG 3.4Å; E317-Q321 PolarHBondContact O-N 3.01Å; E317-L351 HydrophobicContact CG-CD1 4.2Å
318	R	86.3	Confident	88.2	Confident	138 Å²	138	47 Å²	47	52%	0.521	25%	0.25	S	S	.	.	H	α-helix	trans	-67.2	-42.7	178.2	-173.9	176.7	178.7	168.6	4.1	111.4	P315 L316 I320 Q321 D322	P315-R318 HydrophobicContact CB-CB 4.49Å; P315-R318 WeakPolarHBondContact O-CB 3.39Å; P315-R318 PolarHBondContact O-N 3.48Å; L316-R318 PolarHBondContact O-N 3.01Å; R318-I320 VanDerWaalsContact C-N 3.31Å; R318-I320 PolarHBondContact O-N 3.11Å; R318-Q321 PolarHBondContact O-N 3.09Å; R318-D322 WeakPolarHBondContact O-CB 3.48Å; R318-D322 VanDerWaalsContact O-CG 3.26Å; R318-D322 PolarHBondContact O-N 2.75Å
319	Q	88.6	Confident	88.1	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.028	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-41	177.5	-58.7	-169.6	46.9	0	0	111.7	V3 Y262 L314 P315 L316 D322 L323 L335	V3-Q319 HydrophobicContact CG1-CB 4.32Å; Y262-Q319 PolarHBondContact OH-OE1 3.03Å; L314-Q319 HydrophobicContact CB-CG 4.01Å; L314-Q319 PolarHBondContact O-NE2 3.15Å; P315-Q319 PolarHBondContact O-N 2.86Å; L316-Q319 PolarHBondContact O-N 3.28Å; L316-Q319 VanDerWaalsContact O-N 3.14Å; Q319-D322 PolarHBondContact O-N 3.32Å; Q319-L323 WeakPolarHBondContact O-CB 3.46Å; Q319-L323 WeakPolarHBondContact O-CG 3.46Å; Q319-L323 PolarHBondContact O-N 3.45Å; Q319-L335 HydrophobicContact CB-CD2 4.08Å
320	I	88.8	Confident	87.8	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-45.7	176.2	-67.8	166.3	0	0	0	110.7	L316 E317 R318 D322 L323 L324 A332 L335 T336 I355	L316-I320 HydrophobicContact CD1-CD1 4.29Å; L316-I320 HydrophobicContact CD2-CD1 4.13Å; L316-I320 HydrophobicContact CG-CD1 3.74Å; L316-I320 HydrophobicContact CG-CG1 4.4Å; L316-I320 WeakPolarHBondContact O-CG1 3.11Å; L316-I320 PolarHBondContact O-N 2.91Å; E317-I320 PolarHBondContact O-N 3.22Å; R318-I320 VanDerWaalsContact C-N 3.31Å; R318-I320 PolarHBondContact O-N 3.11Å; I320-D322 VanDerWaalsContact C-N 3.34Å; I320-D322 PolarHBondContact O-N 3.4Å; I320-L323 WeakPolarHBondContact O-CB 3.5Å; I320-L323 PolarHBondContact O-N 3.34Å; I320-L324 HydrophobicContact CG2-CD1 3.92Å; I320-L324 HydrophobicContact CG2-CG 4.34Å; I320-L324 VanDerWaalsContact O-CG 3.3Å; I320-L324 WeakPolarHBondContact O-CG 3.3Å; I320-L324 PolarHBondContact O-N 3.02Å; I320-A332 HydrophobicContact CG2-CB 4.33Å; I320-L335 HydrophobicContact CG1-CD2 4.07Å; I320-L335 HydrophobicContact CG1-CG 4.41Å; I320-T336 WeakPolarHBondContact CD1-OG1 3.38Å; I320-I355 HydrophobicContact CD1-CD1 3.9Å; I320-I355 HydrophobicContact CG2-CD1 3.7Å; I320-I355 HydrophobicContact CG2-CG1 3.83Å; I320-I355 HydrophobicContact CG2-CG2 4.26Å
321	Q	88.7	Confident	87.4	Confident	71 Å²	71	51 Å²	51	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-39.7	177.7	-67.9	-56.1	-48.8	0	0	111.9	E317 R318 L323 L324 A325	E317-Q321 VanDerWaalsContact O-CG 3.27Å; E317-Q321 WeakPolarHBondContact O-CG 3.4Å; E317-Q321 PolarHBondContact O-N 3.01Å; R318-Q321 PolarHBondContact O-N 3.09Å; Q321-L323 VanDerWaalsContact C-N 3.32Å; Q321-L323 PolarHBondContact O-N 2.94Å; Q321-L324 PolarHBondContact O-N 2.95Å; Q321-A325 WeakPolarHBondContact O-CB 3.11Å; Q321-A325 PolarHBondContact O-N 2.9Å
322	D	87.3	Confident	87.2	Confident	76 Å²	76	51 Å²	51	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-38	175.1	-71.1	-15.1	0	0	0	111.5	R318 Q319 I320 G326	R318-D322 WeakPolarHBondContact O-CB 3.48Å; R318-D322 VanDerWaalsContact O-CG 3.26Å; R318-D322 PolarHBondContact O-N 2.75Å; Q319-D322 PolarHBondContact O-N 3.32Å; I320-D322 VanDerWaalsContact C-N 3.34Å; I320-D322 PolarHBondContact O-N 3.4Å; D322-G326 PolarHBondContact O-N 3.16Å
323	L	88.1	Confident	87.2	Confident	5 Å²	5	51 Å²	51	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-45.4	173.8	-86.3	166.8	0	0	0	112.6	V3 Q319 I320 Q321 G326 H327 R328 E331 A332 L335	V3-L323 HydrophobicContact CG1-CD1 4.49Å; V3-L323 HydrophobicContact CG1-CG 4.23Å; V3-L323 HydrophobicContact CG2-CD1 4.21Å; V3-L323 HydrophobicContact CG2-CD2 3.21Å; V3-L323 HydrophobicContact CG2-CG 3.51Å; Q319-L323 WeakPolarHBondContact O-CB 3.46Å; Q319-L323 WeakPolarHBondContact O-CG 3.46Å; Q319-L323 PolarHBondContact O-N 3.45Å; I320-L323 WeakPolarHBondContact O-CB 3.5Å; I320-L323 PolarHBondContact O-N 3.34Å; Q321-L323 VanDerWaalsContact C-N 3.32Å; Q321-L323 PolarHBondContact O-N 2.94Å; L323-G326 CarbonylContact O-C 3.36Å; L323-G326 PolarHBondContact O-N 3.14Å; L323-H327 PolarHBondContact O-N 3.1Å; L323-R328 HydrophobicContact CD2-CB 3.7Å; L323-R328 PolarHBondContact O-N 3.14Å; L323-E331 HydrophobicContact CD1-CB 4.33Å; L323-E331 HydrophobicContact CD2-CB 3.82Å; L323-A332 HydrophobicContact CB-CB 3.93Å; L323-A332 HydrophobicContact CD1-CB 4.39Å; L323-L335 HydrophobicContact CD1-CD2 3.89Å
324	L	89.5	Confident	87.2	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-43.5	177.9	-69.7	172	0	0	0	111.3	I320 Q321 G326 H327 A332 I355 Q358 I362	I320-L324 HydrophobicContact CG2-CD1 3.92Å; I320-L324 HydrophobicContact CG2-CG 4.34Å; I320-L324 VanDerWaalsContact O-CG 3.3Å; I320-L324 WeakPolarHBondContact O-CG 3.3Å; I320-L324 PolarHBondContact O-N 3.02Å; Q321-L324 PolarHBondContact O-N 2.95Å; L324-G326 PolarHBondContact O-N 3.09Å; L324-H327 WeakPolarHBondContact O-CA 3.47Å; L324-H327 PolarHBondContact O-N 2.88Å; L324-A332 HydrophobicContact CD2-CB 3.88Å; L324-A332 HydrophobicContact CG-CB 4.06Å; L324-I355 HydrophobicContact CD1-CG2 4.34Å; L324-Q358 HydrophobicContact CD1-CB 4.04Å; L324-I362 HydrophobicContact CB-CD1 3.96Å; L324-I362 HydrophobicContact CD2-CD1 3.87Å; L324-I362 VanDerWaalsContact O-CD1 3.24Å; L324-I362 WeakPolarHBondContact O-CD1 3.24Å
325	A	86.8	Confident	87.2	Confident	75 Å²	75	50.5 Å²	50.5	62%	0.62	27%	0.267	S	S	*	.	H	α-helix	trans	-61.9	-31.7	173.7	0	0	0	0	0	112.2	Q321 H327	Q321-A325 WeakPolarHBondContact O-CB 3.11Å; Q321-A325 PolarHBondContact O-N 2.9Å; A325-H327 PolarHBondContact O-N 2.81Å
326	G	85.6	Confident	87.3	Confident	45 Å²	45	46.8 Å²	46.8	46%	0.464	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	6.2	172	0	0	0	0	0	115.2	D322 L323 L324 R328	D322-G326 PolarHBondContact O-N 3.16Å; L323-G326 CarbonylContact O-C 3.36Å; L323-G326 PolarHBondContact O-N 3.14Å; L324-G326 PolarHBondContact O-N 3.09Å; G326-R328 PolarHBondContact O-N 2.92Å
327	H	87.5	Confident	87.4	Confident	121 Å²	121	50.4 Å²	50.4	56%	0.56	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	20.7	-174.7	-55.4	-64.1	0	0	0	115.5	L323 L324 A325 V329 I362	L323-H327 PolarHBondContact O-N 3.1Å; L324-H327 WeakPolarHBondContact O-CA 3.47Å; L324-H327 PolarHBondContact O-N 2.88Å; A325-H327 PolarHBondContact O-N 2.81Å; H327-V329 PolarHBondContact O-N 2.9Å; H327-I362 HydrophobicContact CB-CG2 4.25Å; H327-I362 WeakPolarHBondContact ND1-CG2 3.38Å
328	R	86.9	Confident	87.2	Confident	75 Å²	75	46.6 Å²	46.6	28%	0.283	25%	0.245	S	C	.	.			trans	-93.9	66	179.4	-66	173.3	75.5	176.4	11.8	110.5	L323 G326 E331 A332	L323-R328 HydrophobicContact CD2-CB 3.7Å; L323-R328 PolarHBondContact O-N 3.14Å; G326-R328 PolarHBondContact O-N 2.92Å; R328-E331 VanDerWaalsContact CZ-CD 3.41Å; R328-E331 IonicContact CZ-OE1 3.15Å; R328-E331 IonicContact CZ-OE2 3.73Å; R328-E331 VanDerWaalsContact NE-CD 3.28Å; R328-E331 IonicContact NE-OE1 3.92Å; R328-E331 PolarHBondContact NE-OE1 3.04Å; R328-E331 IonicContact NE-OE2 2.74Å; R328-E331 PolarHBondContact NE-OE2 2.99Å; R328-E331 IonicContact NH1-OE2 2.71Å; R328-E331 IonicContact NH2-OE1 3.33Å; R328-E331 PolarHBondContact NH2-OE1 2.82Å; R328-E331 IonicContact NH2-OE2 3.59Å; R328-E331 PolarHBondContact NH2-OE2 2.95Å; R328-E331 PolarHBondContact O-N 2.86Å; R328-A332 PolarHBondContact O-N 2.67Å
329	V	89.4	Confident	86.9	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.024	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-47.1	-172.5	174.3	0	0	0	0	112.7	H327 E331 A332 L333 A359 I362	H327-V329 PolarHBondContact O-N 2.9Å; V329-E331 VanDerWaalsContact C-N 3.32Å; V329-E331 PolarHBondContact O-N 2.93Å; V329-A332 WeakPolarHBondContact O-CB 3.38Å; V329-A332 PolarHBondContact O-N 2.94Å; V329-A332 VanDerWaalsContact O-N 3.12Å; V329-L333 HydrophobicContact CG1-CD1 3.97Å; V329-L333 HydrophobicContact CG1-CG 4.37Å; V329-L333 WeakPolarHBondContact O-CG 3.47Å; V329-L333 PolarHBondContact O-N 3.26Å; V329-A359 HydrophobicContact CG1-CB 3.45Å; V329-A359 VanDerWaalsContact CG1-CB 3.45Å; V329-A359 HydrophobicContact CG2-CB 4.46Å; V329-I362 HydrophobicContact CG2-CB 4.06Å; V329-I362 HydrophobicContact CG2-CD1 4.06Å; V329-I362 HydrophobicContact CG2-CG2 3.74Å
330	E	87.9	Confident	86.6	Confident	103 Å²	103	45.7 Å²	45.7	48%	0.481	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-42.3	-176.5	-54.8	-50	142	0	0	112	A332 L333 V334 K363	E330-A332 VanDerWaalsContact C-N 3.33Å; E330-A332 PolarHBondContact O-N 3.1Å; E330-L333 PolarHBondContact O-N 2.91Å; E330-V334 WeakPolarHBondContact O-CG2 3.32Å; E330-V334 PolarHBondContact O-N 2.91Å; E330-K363 IonicContact OE1-NZ 2.95Å; E330-K363 PolarHBondContact OE1-NZ 2.72Å
331	E	85.1	Confident	86	Confident	41 Å²	41	56.3 Å²	56.3	19%	0.192	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-34.9	177.9	-70.5	177.7	-123.5	0	0	112.5	K282 L323 R328 V329 L333 L335	K282-E331 IonicContact NZ-OE2 2.69Å; K282-E331 PolarHBondContact NZ-OE2 3.22Å; L323-E331 HydrophobicContact CD1-CB 4.33Å; L323-E331 HydrophobicContact CD2-CB 3.82Å; R328-E331 VanDerWaalsContact CZ-CD 3.41Å; R328-E331 IonicContact CZ-OE1 3.15Å; R328-E331 IonicContact CZ-OE2 3.73Å; R328-E331 VanDerWaalsContact NE-CD 3.28Å; R328-E331 IonicContact NE-OE1 3.92Å; R328-E331 PolarHBondContact NE-OE1 3.04Å; R328-E331 IonicContact NE-OE2 2.74Å; R328-E331 PolarHBondContact NE-OE2 2.99Å; R328-E331 IonicContact NH1-OE2 2.71Å; R328-E331 IonicContact NH2-OE1 3.33Å; R328-E331 PolarHBondContact NH2-OE1 2.82Å; R328-E331 IonicContact NH2-OE2 3.59Å; R328-E331 PolarHBondContact NH2-OE2 2.95Å; R328-E331 PolarHBondContact O-N 2.86Å; V329-E331 VanDerWaalsContact C-N 3.32Å; V329-E331 PolarHBondContact O-N 2.93Å; E331-L333 VanDerWaalsContact C-N 3.34Å; E331-L335 WeakPolarHBondContact O-CB 3.43Å; E331-L335 PolarHBondContact O-N 2.96Å
332	A	88.8	Confident	85.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-43.3	173.7	0	0	0	0	0	110.7	I320 L323 L324 R328 V329 E330 T336	I320-A332 HydrophobicContact CG2-CB 4.33Å; L323-A332 HydrophobicContact CB-CB 3.93Å; L323-A332 HydrophobicContact CD1-CB 4.39Å; L324-A332 HydrophobicContact CD2-CB 3.88Å; L324-A332 HydrophobicContact CG-CB 4.06Å; R328-A332 PolarHBondContact O-N 2.67Å; V329-A332 WeakPolarHBondContact O-CB 3.38Å; V329-A332 PolarHBondContact O-N 2.94Å; V329-A332 VanDerWaalsContact O-N 3.12Å; E330-A332 VanDerWaalsContact C-N 3.33Å; E330-A332 PolarHBondContact O-N 3.1Å; A332-T336 WeakPolarHBondContact O-CB 3.18Å; A332-T336 PolarHBondContact O-N 2.82Å; A332-T336 PolarHBondContact O-OG1 3.4Å
333	L	89.2	Confident	84.8	Confident	14 Å²	14	56.6 Å²	56.6	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-48.2	178.5	-67.1	174.3	0	0	0	111.6	V329 E330 E331 L335 T336 E337 I355 L356	V329-L333 HydrophobicContact CG1-CD1 3.97Å; V329-L333 HydrophobicContact CG1-CG 4.37Å; V329-L333 WeakPolarHBondContact O-CG 3.47Å; V329-L333 PolarHBondContact O-N 3.26Å; E330-L333 PolarHBondContact O-N 2.91Å; E331-L333 VanDerWaalsContact C-N 3.34Å; L333-L335 VanDerWaalsContact C-N 3.31Å; L333-L335 PolarHBondContact O-N 2.86Å; L333-T336 WeakPolarHBondContact O-CB 3.49Å; L333-T336 PolarHBondContact O-N 3.05Å; L333-E337 WeakPolarHBondContact O-CG 3.44Å; L333-E337 PolarHBondContact O-N 3.49Å; L333-I355 HydrophobicContact CD2-CG2 3.96Å; L333-L356 HydrophobicContact CD2-CD2 3.81Å; L333-L356 HydrophobicContact CD2-CG 4.36Å
334	V	87.4	Confident	84.7	Confident	57 Å²	57	60.4 Å²	60.4	35%	0.345	32%	0.317	S	S	.	.	H	α-helix	trans	-58	-43.5	176.7	170.5	0	0	0	0	111.4	L277 E330 T336 G338	L277-V334 HydrophobicContact CB-CG1 3.62Å; L277-V334 HydrophobicContact CD1-CG1 4.05Å; L277-V334 HydrophobicContact CG-CG1 4.44Å; E330-V334 WeakPolarHBondContact O-CG2 3.32Å; E330-V334 PolarHBondContact O-N 2.91Å; V334-T336 VanDerWaalsContact C-N 3.33Å; V334-T336 PolarHBondContact O-N 2.88Å; V334-G338 PolarHBondContact O-N 3.11Å
335	L	85.9	Confident	84.5	Confident	12 Å²	12	68 Å²	68	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-64.4	-38.5	176.7	-178.7	60.2	0	0	0	112	P261 Y262 L316 Q319 I320 L323 E331 L333 A339	P261-L335 HydrophobicContact CG-CD1 3.78Å; Y262-L335 WeakPolarHBondContact OH-CD1 3.37Å; L316-L335 HydrophobicContact CD1-CD1 3.87Å; L316-L335 HydrophobicContact CD1-CD2 4.04Å; L316-L335 HydrophobicContact CD1-CG 3.72Å; Q319-L335 HydrophobicContact CB-CD2 4.08Å; I320-L335 HydrophobicContact CG1-CD2 4.07Å; I320-L335 HydrophobicContact CG1-CG 4.41Å; L323-L335 HydrophobicContact CD1-CD2 3.89Å; E331-L335 WeakPolarHBondContact O-CB 3.43Å; E331-L335 PolarHBondContact O-N 2.96Å; L333-L335 VanDerWaalsContact C-N 3.31Å; L333-L335 PolarHBondContact O-N 2.86Å; L335-A339 PolarHBondContact O-N 2.72Å
336	T	87.8	Confident	84.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-52.2	177	-54.5	0	0	0	0	110.6	I320 A332 L333 V334 G338 A339 Q340 F348 H352 I355	I320-T336 WeakPolarHBondContact CD1-OG1 3.38Å; A332-T336 WeakPolarHBondContact O-CB 3.18Å; A332-T336 PolarHBondContact O-N 2.82Å; A332-T336 PolarHBondContact O-OG1 3.4Å; L333-T336 WeakPolarHBondContact O-CB 3.49Å; L333-T336 PolarHBondContact O-N 3.05Å; V334-T336 VanDerWaalsContact C-N 3.33Å; V334-T336 PolarHBondContact O-N 2.88Å; T336-G338 VanDerWaalsContact C-N 3.31Å; T336-G338 PolarHBondContact O-N 2.95Å; T336-A339 WeakPolarHBondContact O-CB 2.95Å; T336-A339 PolarHBondContact O-N 2.84Å; T336-Q340 PolarHBondContact O-N 3.35Å; T336-F348 HydrophobicContact CG2-CE2 3.9Å; T336-F348 HydrophobicContact CG2-CZ 4.2Å; T336-F348 WeakPolarHBondContact O-CE2 3.36Å; T336-H352 HydrophobicContact CG2-CB 4.5Å; T336-I355 HydrophobicContact CG2-CD1 3.64Å; T336-I355 WeakPolarHBondContact OG1-CD1 3.49Å
337	E	86.4	Confident	84.5	Confident	111 Å²	111	75.1 Å²	75.1	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-41.4	178.3	-69.7	177.7	178.2	0	0	111.9	L333 A339 Q340	L333-E337 WeakPolarHBondContact O-CG 3.44Å; L333-E337 PolarHBondContact O-N 3.49Å; E337-A339 PolarHBondContact O-N 2.87Å; E337-Q340 WeakPolarHBondContact O-CB 2.98Å; E337-Q340 PolarHBondContact O-N 3.48Å; E337-Q340 VanDerWaalsContact O-N 3.1Å
338	G	80	Confident	84.5	Confident	16 Å²	16	70 Å²	70	17%	0.165	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-30.7	174.6	0	0	0	0	0	113.6	F260 V334 T336 Q340	F260-G338 WeakPolarHBondContact CE1-O 3.47Å; V334-G338 PolarHBondContact O-N 3.11Å; T336-G338 VanDerWaalsContact C-N 3.31Å; T336-G338 PolarHBondContact O-N 2.95Å; G338-Q340 VanDerWaalsContact C-N 3.33Å
339	A	80.3	Confident	84.5	Confident	9 Å²	9	71.5 Å²	71.5	7%	0.074	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-81.9	-5.8	178.2	0	0	0	0	0	114.3	L316 L335 T336 E337 R341 N342 I343	L316-A339 HydrophobicContact CD1-CB 4.28Å; L316-A339 HydrophobicContact CD2-CB 3.25Å; L316-A339 HydrophobicContact CG-CB 4.4Å; L335-A339 PolarHBondContact O-N 2.72Å; T336-A339 WeakPolarHBondContact O-CB 2.95Å; T336-A339 PolarHBondContact O-N 2.84Å; E337-A339 PolarHBondContact O-N 2.87Å; A339-R341 PolarHBondContact O-N 3.07Å; A339-R341 VanDerWaalsContact O-N 3.1Å; A339-N342 PolarHBondContact O-N 3.39Å; A339-I343 HydrophobicContact CB-CD1 4.15Å; A339-I343 PolarHBondContact O-N 3.46Å
340	Q	82.2	Confident	84.5	Confident	116 Å²	116	77.2 Å²	77.2	54%	0.542	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-54.3	-34.2	-178.4	-173.9	-177.5	21.6	0	0	113	T336 E337 G338 N342 F348	T336-Q340 PolarHBondContact O-N 3.35Å; E337-Q340 WeakPolarHBondContact O-CB 2.98Å; E337-Q340 PolarHBondContact O-N 3.48Å; E337-Q340 VanDerWaalsContact O-N 3.1Å; G338-Q340 VanDerWaalsContact C-N 3.33Å; Q340-N342 VanDerWaalsContact C-N 3.26Å; Q340-N342 PolarHBondContact O-N 3.22Å; Q340-F348 HydrophobicContact CB-CD2 4.3Å; Q340-F348 HydrophobicContact CB-CE1 4.07Å; Q340-F348 HydrophobicContact CB-CE2 3.87Å; Q340-F348 HydrophobicContact CB-CZ 3.73Å; Q340-F348 HydrophobicContact CG-CD1 3.93Å; Q340-F348 HydrophobicContact CG-CD2 4.48Å; Q340-F348 HydrophobicContact CG-CE1 3.75Å; Q340-F348 HydrophobicContact CG-CE2 4.33Å; Q340-F348 HydrophobicContact CG-CG 4.29Å; Q340-F348 HydrophobicContact CG-CZ 3.96Å
341	R	74.7	Confident	84.4	Confident	225 Å²	225	73.8 Å²	73.8	85%	0.849	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-68.9	-23.5	-179.7	-64.9	-176.8	-178.8	-179	0.8	113.4	A339	A339-R341 PolarHBondContact O-N 3.07Å; A339-R341 VanDerWaalsContact O-N 3.1Å
342	N	71.7	Confident	84.7	Confident	116 Å²	116	74 Å²	74	62%	0.62	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-101.9	-6.8	-171.4	-63	-14.5	0	0	0	113.1	A339 Q340	A339-N342 PolarHBondContact O-N 3.39Å; Q340-N342 VanDerWaalsContact C-N 3.26Å; Q340-N342 PolarHBondContact O-N 3.22Å
343	I	80.2	Confident	84.8	Confident	37 Å²	37	78.8 Å²	78.8	19%	0.19	38%	0.378	C	S	.	.	S	Bend	trans	-118.8	136.1	-174.3	-57.6	173.9	0	0	0	109.4	L316 A339 K345 K347 F348 L351	L316-I343 HydrophobicContact CD2-CD1 3.85Å; A339-I343 HydrophobicContact CB-CD1 4.15Å; A339-I343 PolarHBondContact O-N 3.46Å; I343-K345 PolarHBondContact O-N 2.79Å; I343-K347 HydrophobicContact CG2-CB 3.94Å; I343-F348 HydrophobicContact CB-CB 4.27Å; I343-F348 HydrophobicContact CB-CD2 4.42Å; I343-F348 HydrophobicContact CD1-CD2 4.33Å; I343-F348 HydrophobicContact CG2-CB 3.96Å; I343-L351 HydrophobicContact CD1-CD2 4.18Å
344	P	85.8	Confident	84.8	Confident	84 Å²	84	82 Å²	82	55%	0.545	39%	0.389	S	S	.	.			trans	-54.3	137.5	172.2	-25.4	34.2	0	0	0	111.7	D346 K347 F348	P344-D346 VanDerWaalsContact C-N 3.27Å; P344-D346 PolarHBondContact O-N 3.45Å; P344-D346 VanDerWaalsContact O-N 3.12Å; P344-K347 PolarHBondContact O-N 2.6Å; P344-K347 VanDerWaalsContact O-N 3.07Å; P344-F348 PolarHBondContact O-N 2.94Å
345	K	85.5	Confident	85.1	Confident	166 Å²	166	79.2 Å²	79.2	72%	0.722	37%	0.373	S	S	*	.	H	α-helix	trans	-50.2	-43.7	-171.8	-69.8	-175.9	178	-179.4	0	113.6	I343 F348 Q349	I343-K345 PolarHBondContact O-N 2.79Å; K345-F348 WeakPolarHBondContact O-CB 3.5Å; K345-F348 PolarHBondContact O-N 2.9Å; K345-Q349 WeakPolarHBondContact O-CG 3.09Å; K345-Q349 PolarHBondContact O-N 2.95Å
346	D	85.5	Confident	85.4	Confident	120 Å²	120	79 Å²	79	64%	0.642	37%	0.372	S	S	*	.	H	α-helix	trans	-66.7	-43.5	-177.1	-53.3	-23.8	0	0	0	112	P344 F348 Q349 I350	P344-D346 VanDerWaalsContact C-N 3.27Å; P344-D346 PolarHBondContact O-N 3.45Å; P344-D346 VanDerWaalsContact O-N 3.12Å; D346-F348 VanDerWaalsContact C-N 3.33Å; D346-Q349 PolarHBondContact O-N 2.85Å; D346-I350 WeakPolarHBondContact O-CG1 3.41Å; D346-I350 PolarHBondContact O-N 2.69Å
347	K	85.8	Confident	85.6	Confident	151 Å²	151	80.4 Å²	80.4	66%	0.657	38%	0.378	S	S	*	.	H	α-helix	trans	-66.7	-38.3	176	-69.9	-172.2	177.3	-176.6	0	111.3	I343 P344 I350 L351	I343-K347 HydrophobicContact CG2-CB 3.94Å; P344-K347 PolarHBondContact O-N 2.6Å; P344-K347 VanDerWaalsContact O-N 3.07Å; K347-I350 PolarHBondContact O-N 3.43Å; K347-L351 WeakPolarHBondContact O-CB 3.25Å; K347-L351 PolarHBondContact O-N 3.45Å; K347-L351 VanDerWaalsContact O-N 3.08Å
348	F	88.3	Confident	85.9	Confident	14 Å²	14	75.9 Å²	75.9	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-44.5	177.1	-177.7	-100	0	0	0	111.8	T336 Q340 I343 P344 K345 D346 I350 L351 H352	T336-F348 HydrophobicContact CG2-CE2 3.9Å; T336-F348 HydrophobicContact CG2-CZ 4.2Å; T336-F348 WeakPolarHBondContact O-CE2 3.36Å; Q340-F348 HydrophobicContact CB-CD2 4.3Å; Q340-F348 HydrophobicContact CB-CE1 4.07Å; Q340-F348 HydrophobicContact CB-CE2 3.87Å; Q340-F348 HydrophobicContact CB-CZ 3.73Å; Q340-F348 HydrophobicContact CG-CD1 3.93Å; Q340-F348 HydrophobicContact CG-CD2 4.48Å; Q340-F348 HydrophobicContact CG-CE1 3.75Å; Q340-F348 HydrophobicContact CG-CE2 4.33Å; Q340-F348 HydrophobicContact CG-CG 4.29Å; Q340-F348 HydrophobicContact CG-CZ 3.96Å; I343-F348 HydrophobicContact CB-CB 4.27Å; I343-F348 HydrophobicContact CB-CD2 4.42Å; I343-F348 HydrophobicContact CD1-CD2 4.33Å; I343-F348 HydrophobicContact CG2-CB 3.96Å; P344-F348 PolarHBondContact O-N 2.94Å; K345-F348 WeakPolarHBondContact O-CB 3.5Å; K345-F348 PolarHBondContact O-N 2.9Å; D346-F348 VanDerWaalsContact C-N 3.33Å; F348-I350 PolarHBondContact O-N 2.95Å; F348-L351 PolarHBondContact O-N 3.25Å; F348-H352 HydrophobicContact CD1-CB 4.45Å; F348-H352 HydrophobicContact CE1-CB 4.12Å; F348-H352 HydrophobicContact CZ-CB 4.28Å; F348-H352 WeakPolarHBondContact O-CB 3.27Å; F348-H352 PolarHBondContact O-N 3.18Å
349	Q	87.3	Confident	86.6	Confident	105 Å²	105	75.1 Å²	75.1	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-43.3	179.1	-74.4	175	6.1	0	0	112.3	K345 D346 H352 R353	K345-Q349 WeakPolarHBondContact O-CG 3.09Å; K345-Q349 PolarHBondContact O-N 2.95Å; D346-Q349 PolarHBondContact O-N 2.85Å; Q349-H352 PolarHBondContact O-N 3.34Å; Q349-R353 WeakPolarHBondContact O-CB 3.48Å; Q349-R353 VanDerWaalsContact O-CG 3.29Å; Q349-R353 WeakPolarHBondContact O-CG 3.28Å; Q349-R353 PolarHBondContact O-N 2.87Å
350	I	88.2	Confident	87.2	Confident	125 Å²	125	74.7 Å²	74.7	64%	0.641	35%	0.346	S	S	*	.	H	α-helix	trans	-63.7	-47.4	177.8	-63.3	166.2	0	0	0	110.6	D346 K347 F348 R354	D346-I350 WeakPolarHBondContact O-CG1 3.41Å; D346-I350 PolarHBondContact O-N 2.69Å; K347-I350 PolarHBondContact O-N 3.43Å; F348-I350 PolarHBondContact O-N 2.95Å; I350-R354 WeakPolarHBondContact O-CB 3.46Å; I350-R354 PolarHBondContact O-N 3.47Å; I350-R354 VanDerWaalsContact O-N 3.14Å
351	L	87.4	Confident	87.6	Confident	30 Å²	30	69.2 Å²	69.2	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-47.7	178.3	-179.7	66	0	0	0	111.2	E317 I343 K347 F348 R354 I355	E317-L351 HydrophobicContact CG-CD1 4.2Å; I343-L351 HydrophobicContact CD1-CD2 4.18Å; K347-L351 WeakPolarHBondContact O-CB 3.25Å; K347-L351 PolarHBondContact O-N 3.45Å; K347-L351 VanDerWaalsContact O-N 3.08Å; F348-L351 PolarHBondContact O-N 3.25Å; L351-R354 WeakPolarHBondContact O-CB 3.44Å; L351-R354 PolarHBondContact O-N 3.12Å; L351-I355 HydrophobicContact CD1-CD1 3.91Å; L351-I355 HydrophobicContact CD1-CG1 4.47Å; L351-I355 HydrophobicContact CD2-CD1 4.41Å; L351-I355 HydrophobicContact CG-CD1 3.69Å; L351-I355 WeakPolarHBondContact O-CD1 3.28Å; L351-I355 VanDerWaalsContact O-CG1 3.27Å; L351-I355 WeakPolarHBondContact O-CG1 3.4Å; L351-I355 PolarHBondContact O-N 3.45Å
352	H	90.3	Very high	88.4	Confident	46 Å²	46	59.7 Å²	59.7	21%	0.213	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-44.4	-178.2	-176.6	-116	0	0	0	112.3	T336 F348 Q349 R354 I355 L356	T336-H352 HydrophobicContact CG2-CB 4.5Å; F348-H352 HydrophobicContact CD1-CB 4.45Å; F348-H352 HydrophobicContact CE1-CB 4.12Å; F348-H352 HydrophobicContact CZ-CB 4.28Å; F348-H352 WeakPolarHBondContact O-CB 3.27Å; F348-H352 PolarHBondContact O-N 3.18Å; Q349-H352 PolarHBondContact O-N 3.34Å; H352-R354 VanDerWaalsContact C-N 3.32Å; H352-R354 PolarHBondContact O-N 3.21Å; H352-I355 PolarHBondContact O-N 3.3Å; H352-L356 VanDerWaalsContact CE1-CD1 3.41Å; H352-L356 WeakPolarHBondContact CE1-CD1 3.41Å; H352-L356 WeakPolarHBondContact O-CB 3.46Å; H352-L356 WeakPolarHBondContact O-CG 3.25Å; H352-L356 PolarHBondContact O-N 3.29Å
353	R	90.7	Very high	89.3	Confident	100 Å²	100	55.1 Å²	55.1	38%	0.377	26%	0.26	S	S	.	.	H	α-helix	trans	-57.5	-46.6	173.8	-77.3	178.3	-179.9	-176.8	-2.5	111.3	Q349 I355 L356 Q357 E380	Q349-R353 WeakPolarHBondContact O-CB 3.48Å; Q349-R353 VanDerWaalsContact O-CG 3.29Å; Q349-R353 WeakPolarHBondContact O-CG 3.28Å; Q349-R353 PolarHBondContact O-N 2.87Å; R353-I355 PolarHBondContact O-N 2.94Å; R353-L356 PolarHBondContact O-N 2.91Å; R353-Q357 VanDerWaalsContact O-CG 3.28Å; R353-Q357 WeakPolarHBondContact O-CG 3.11Å; R353-Q357 PolarHBondContact O-N 3.25Å; R353-E380 IonicContact CZ-OE1 2.96Å; R353-E380 VanDerWaalsContact CZ-OE1 3.29Å; R353-E380 IonicContact CZ-OE2 2.68Å; R353-E380 IonicContact NE-OE1 2.79Å; R353-E380 IonicContact NE-OE2 3.11Å; R353-E380 IonicContact NH1-OE2 2.83Å; R353-E380 PolarHBondContact NH1-OE2 3Å; R353-E380 IonicContact NH2-OE1 3.81Å; R353-E380 PolarHBondContact NH2-OE1 2.95Å; R353-E380 IonicContact NH2-OE2 2.88Å; R353-E380 PolarHBondContact NH2-OE2 3.49Å
354	R	90.4	Very high	89.9	Confident	81 Å²	81	53.3 Å²	53.3	31%	0.306	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-44.6	178.4	-174	177	-174.9	135.4	14.2	112.2	I350 L351 H352 Q357 Q358 P405 L407	I350-R354 WeakPolarHBondContact O-CB 3.46Å; I350-R354 PolarHBondContact O-N 3.47Å; I350-R354 VanDerWaalsContact O-N 3.14Å; L351-R354 WeakPolarHBondContact O-CB 3.44Å; L351-R354 PolarHBondContact O-N 3.12Å; H352-R354 VanDerWaalsContact C-N 3.32Å; H352-R354 PolarHBondContact O-N 3.21Å; R354-Q357 WeakPolarHBondContact O-CB 3.48Å; R354-Q357 PolarHBondContact O-N 2.98Å; R354-Q358 WeakPolarHBondContact O-CG 3.45Å; R354-Q358 PolarHBondContact O-N 2.59Å; R354-P405 VanDerWaalsContact NH2-CD 3.3Å; R354-P405 PolarHBondContact NH2-O 2.95Å; R354-L407 HydrophobicContact CG-CD2 4.02Å
355	I	91.7	Very high	89.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-41.8	179.1	-67.8	160.8	0	0	0	110.9	I320 L324 L333 T336 L351 H352 R353 Q357 Q358 A359	I320-I355 HydrophobicContact CD1-CD1 3.9Å; I320-I355 HydrophobicContact CG2-CD1 3.7Å; I320-I355 HydrophobicContact CG2-CG1 3.83Å; I320-I355 HydrophobicContact CG2-CG2 4.26Å; L324-I355 HydrophobicContact CD1-CG2 4.34Å; L333-I355 HydrophobicContact CD2-CG2 3.96Å; T336-I355 HydrophobicContact CG2-CD1 3.64Å; T336-I355 WeakPolarHBondContact OG1-CD1 3.49Å; L351-I355 HydrophobicContact CD1-CD1 3.91Å; L351-I355 HydrophobicContact CD1-CG1 4.47Å; L351-I355 HydrophobicContact CD2-CD1 4.41Å; L351-I355 HydrophobicContact CG-CD1 3.69Å; L351-I355 WeakPolarHBondContact O-CD1 3.28Å; L351-I355 VanDerWaalsContact O-CG1 3.27Å; L351-I355 WeakPolarHBondContact O-CG1 3.4Å; L351-I355 PolarHBondContact O-N 3.45Å; H352-I355 PolarHBondContact O-N 3.3Å; R353-I355 PolarHBondContact O-N 2.94Å; I355-Q357 VanDerWaalsContact C-N 3.34Å; I355-Q357 PolarHBondContact O-N 3.45Å; I355-Q358 PolarHBondContact O-N 3.09Å; I355-A359 VanDerWaalsContact O-CB 3.25Å; I355-A359 WeakPolarHBondContact O-CB 3.19Å; I355-A359 PolarHBondContact O-N 3.31Å
356	L	93.2	Very high	90.1	Very high	7 Å²	7	47 Å²	47	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-40.6	174.5	-76.3	169.1	0	0	0	112.2	L333 H352 R353 A359 G360 K378	L333-L356 HydrophobicContact CD2-CD2 3.81Å; L333-L356 HydrophobicContact CD2-CG 4.36Å; H352-L356 VanDerWaalsContact CE1-CD1 3.41Å; H352-L356 WeakPolarHBondContact CE1-CD1 3.41Å; H352-L356 WeakPolarHBondContact O-CB 3.46Å; H352-L356 WeakPolarHBondContact O-CG 3.25Å; H352-L356 PolarHBondContact O-N 3.29Å; R353-L356 PolarHBondContact O-N 2.91Å; L356-A359 WeakPolarHBondContact O-CB 3.4Å; L356-A359 PolarHBondContact O-N 3.4Å; L356-G360 PolarHBondContact O-N 2.65Å; L356-K378 HydrophobicContact CD1-CB 3.87Å
357	Q	92.8	Very high	90.3	Very high	29 Å²	29	43.8 Å²	43.8	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-47.9	174.7	-69	169.5	-4.8	0	0	111.3	R353 R354 I355 A359 G360 F361 G379 E380 L381 L407	R353-Q357 VanDerWaalsContact O-CG 3.28Å; R353-Q357 WeakPolarHBondContact O-CG 3.11Å; R353-Q357 PolarHBondContact O-N 3.25Å; R354-Q357 WeakPolarHBondContact O-CB 3.48Å; R354-Q357 PolarHBondContact O-N 2.98Å; I355-Q357 VanDerWaalsContact C-N 3.34Å; I355-Q357 PolarHBondContact O-N 3.45Å; Q357-A359 PolarHBondContact O-N 3.3Å; Q357-G360 PolarHBondContact O-N 3.06Å; Q357-F361 WeakPolarHBondContact O-CD2 2.98Å; Q357-F361 PolarHBondContact O-N 2.95Å; Q357-G379 PolarHBondContact NE2-O 3.25Å; Q357-E380 PolarHBondContact NE2-O 3.06Å; Q357-L381 HydrophobicContact CB-CD1 4.23Å; Q357-L381 HydrophobicContact CG-CB 4.23Å; Q357-L381 HydrophobicContact CG-CD1 3.93Å; Q357-L407 HydrophobicContact CB-CD1 4.21Å; Q357-L407 HydrophobicContact CB-CD2 4.25Å
358	Q	92.5	Very high	90.5	Very high	17 Å²	17	40.3 Å²	40.3	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-43.8	176.5	-66.7	-177.1	-72.1	0	0	112	L324 R354 I355 G360 F361 I362 L407	L324-Q358 HydrophobicContact CD1-CB 4.04Å; R354-Q358 WeakPolarHBondContact O-CG 3.45Å; R354-Q358 PolarHBondContact O-N 2.59Å; I355-Q358 PolarHBondContact O-N 3.09Å; Q358-G360 VanDerWaalsContact C-N 3.33Å; Q358-G360 PolarHBondContact O-N 3.48Å; Q358-F361 PolarHBondContact O-N 3.05Å; Q358-I362 WeakPolarHBondContact O-CG1 3.25Å; Q358-I362 PolarHBondContact O-N 2.97Å; Q358-L407 HydrophobicContact CG-CD2 4.1Å; Q358-L407 WeakPolarHBondContact CG-O 3.36Å
359	A	93.2	Very high	90.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-45.7	173.8	0	0	0	0	0	111.7	V329 I355 L356 Q357 F361 I362 K363	V329-A359 HydrophobicContact CG1-CB 3.45Å; V329-A359 VanDerWaalsContact CG1-CB 3.45Å; V329-A359 HydrophobicContact CG2-CB 4.46Å; I355-A359 VanDerWaalsContact O-CB 3.25Å; I355-A359 WeakPolarHBondContact O-CB 3.19Å; I355-A359 PolarHBondContact O-N 3.31Å; L356-A359 WeakPolarHBondContact O-CB 3.4Å; L356-A359 PolarHBondContact O-N 3.4Å; Q357-A359 PolarHBondContact O-N 3.3Å; A359-F361 VanDerWaalsContact C-N 3.34Å; A359-F361 PolarHBondContact O-N 3.23Å; A359-I362 PolarHBondContact O-N 3.06Å; A359-K363 VanDerWaalsContact O-CG 3.31Å; A359-K363 WeakPolarHBondContact O-CG 3.33Å; A359-K363 PolarHBondContact O-N 3.49Å
360	G	92.9	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-43.6	175.6	0	0	0	0	0	112.4	L356 Q357 Q358 K363 F364 A372 F376	L356-G360 PolarHBondContact O-N 2.65Å; Q357-G360 PolarHBondContact O-N 3.06Å; Q358-G360 VanDerWaalsContact C-N 3.33Å; Q358-G360 PolarHBondContact O-N 3.48Å; G360-K363 PolarHBondContact O-N 2.87Å; G360-F364 VanDerWaalsContact O-CB 3.26Å; G360-F364 WeakPolarHBondContact O-CB 3.34Å; G360-F364 PolarHBondContact O-N 3.12Å; G360-A372 WeakPolarHBondContact O-CB 3.5Å; G360-F376 VanDerWaalsContact CA-CE1 3.43Å; G360-F376 WeakPolarHBondContact O-CZ 3.21Å
361	F	92.1	Very high	91	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-67.7	-36.5	177.1	-79.1	-69.7	0	0	0	113.2	Q357 Q358 A359 F364 G365 F376 L381 E385 L386 L389 L407 H408 F410	Q357-F361 WeakPolarHBondContact O-CD2 2.98Å; Q357-F361 PolarHBondContact O-N 2.95Å; Q358-F361 PolarHBondContact O-N 3.05Å; A359-F361 VanDerWaalsContact C-N 3.34Å; A359-F361 PolarHBondContact O-N 3.23Å; F361-F364 PolarHBondContact O-N 3.15Å; F361-G365 PolarHBondContact O-N 3.44Å; F361-F376 HydrophobicContact CD1-CE1 4.28Å; F361-F376 HydrophobicContact CD1-CZ 4.11Å; F361-F376 AromaticContact CD2-CE1 3.96Å; F361-F376 HydrophobicContact CD2-CE1 3.96Å; F361-F376 HydrophobicContact CE1-CE1 4.44Å; F361-F376 HydrophobicContact CE1-CZ 4.31Å; F361-F376 HydrophobicContact CE2-CE1 4.11Å; F361-F376 HydrophobicContact CG-CE1 4.03Å; F361-F376 HydrophobicContact CG-CZ 4.23Å; F361-F376 HydrophobicContact CZ-CE1 4.35Å; F361-L381 HydrophobicContact CE2-CD1 3.75Å; F361-L381 HydrophobicContact CE2-CD2 3.97Å; F361-L381 HydrophobicContact CZ-CD1 4.14Å; F361-L381 HydrophobicContact CZ-CD2 3.8Å; F361-E385 HydrophobicContact CZ-CB 3.9Å; F361-L386 HydrophobicContact CD1-CD2 4.36Å; F361-L386 HydrophobicContact CE1-CD2 3.61Å; F361-L386 HydrophobicContact CE1-CG 4.09Å; F361-L386 HydrophobicContact CZ-CD2 4.24Å; F361-L386 HydrophobicContact CZ-CG 4.23Å; F361-L389 HydrophobicContact CE1-CD1 4.14Å; F361-L407 HydrophobicContact CD2-CB 4.03Å; F361-L407 HydrophobicContact CE2-CB 4.03Å; F361-L407 HydrophobicContact CE2-CD1 4.15Å; F361-H408 HydrophobicContact CB-CB 3.77Å; F361-H408 HydrophobicContact CD1-CB 4.14Å; F361-H408 AromaticContact CD1-CD2 3.4Å; F361-H408 VanDerWaalsContact CD1-CD2 3.4Å; F361-H408 WeakPolarHBondContact CD1-CD2 3.37Å; F361-H408 AromaticContact CD1-CG 3.91Å; F361-H408 HydrophobicContact CD2-CB 4.33Å; F361-H408 AromaticContact CD2-CD2 3.74Å; F361-H408 AromaticContact CE1-CD2 3.34Å; F361-H408 WeakPolarHBondContact CE1-CD2 3.03Å; F361-H408 AromaticContact CE1-NE2 3.78Å; F361-H408 AromaticContact CE2-CD2 3.7Å; F361-H408 HydrophobicContact CG-CB 3.84Å; F361-H408 AromaticContact CG-CD2 3.62Å; F361-H408 AromaticContact CZ-CD2 3.51Å; F361-H408 AromaticContact CZ-NE2 3.96Å; F361-F410 HydrophobicContact CB-CE2 4.36Å; F361-F410 WeakPolarHBondContact O-CE2 3.25Å
362	I	91.1	Very high	91.3	Very high	24 Å²	24	40.7 Å²	40.7	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-48.8	174	-69.3	161.8	0	0	0	110.4	L324 H327 V329 Q358 A359 F364 G365 Q366	L324-I362 HydrophobicContact CB-CD1 3.96Å; L324-I362 HydrophobicContact CD2-CD1 3.87Å; L324-I362 VanDerWaalsContact O-CD1 3.24Å; L324-I362 WeakPolarHBondContact O-CD1 3.24Å; H327-I362 HydrophobicContact CB-CG2 4.25Å; H327-I362 WeakPolarHBondContact ND1-CG2 3.38Å; V329-I362 HydrophobicContact CG2-CB 4.06Å; V329-I362 HydrophobicContact CG2-CD1 4.06Å; V329-I362 HydrophobicContact CG2-CG2 3.74Å; Q358-I362 WeakPolarHBondContact O-CG1 3.25Å; Q358-I362 PolarHBondContact O-N 2.97Å; A359-I362 PolarHBondContact O-N 3.06Å; I362-F364 VanDerWaalsContact C-N 3.31Å; I362-F364 PolarHBondContact O-N 3.48Å; I362-G365 PolarHBondContact O-N 2.82Å; I362-Q366 WeakPolarHBondContact O-CG 3.31Å; I362-Q366 PolarHBondContact O-N 2.74Å; I362-Q366 VanDerWaalsContact O-N 3.09Å
363	K	91.4	Very high	91.4	Very high	20 Å²	20	40 Å²	40	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-37.5	178	-65.9	-71.2	-175.7	158.9	0	111.8	E330 A359 G360 Q366 L367 Q368 E371 A372	E330-K363 IonicContact OE1-NZ 2.95Å; E330-K363 PolarHBondContact OE1-NZ 2.72Å; A359-K363 VanDerWaalsContact O-CG 3.31Å; A359-K363 WeakPolarHBondContact O-CG 3.33Å; A359-K363 PolarHBondContact O-N 3.49Å; G360-K363 PolarHBondContact O-N 2.87Å; K363-Q366 CarbonylContact O-C 3.48Å; K363-Q366 PolarHBondContact O-N 3.33Å; K363-L367 PolarHBondContact O-N 2.65Å; K363-Q368 HydrophobicContact CB-CB 4.37Å; K363-Q368 HydrophobicContact CD-CB 4.43Å; K363-Q368 PolarHBondContact O-N 3.38Å; K363-E371 HydrophobicContact CD-CB 4.38Å; K363-E371 WeakPolarHBondContact CD-OE2 3.49Å; K363-E371 WeakPolarHBondContact CE-OE2 3.37Å; K363-E371 HydrophobicContact CG-CB 4.44Å; K363-E371 IonicContact NZ-OE2 2.77Å; K363-E371 PolarHBondContact NZ-OE2 2.96Å; K363-A372 HydrophobicContact CB-CB 3.91Å
364	F	90.9	Very high	91.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-44.8	173.5	178.1	-104.9	0	0	0	111.7	G360 F361 I362 Q366 L367 F369 A372 F376 L389 L413 L416 C427 F430	G360-F364 VanDerWaalsContact O-CB 3.26Å; G360-F364 WeakPolarHBondContact O-CB 3.34Å; G360-F364 PolarHBondContact O-N 3.12Å; F361-F364 PolarHBondContact O-N 3.15Å; I362-F364 VanDerWaalsContact C-N 3.31Å; I362-F364 PolarHBondContact O-N 3.48Å; F364-Q366 VanDerWaalsContact C-N 3.26Å; F364-Q366 PolarHBondContact O-N 3.07Å; F364-L367 WeakPolarHBondContact O-CA 3.4Å; F364-L367 PolarHBondContact O-N 2.95Å; F364-F369 AromaticContact CD2-CD1 3.95Å; F364-F369 HydrophobicContact CD2-CD1 3.95Å; F364-F369 AromaticContact CD2-CE1 3.82Å; F364-F369 HydrophobicContact CD2-CE1 3.82Å; F364-F369 HydrophobicContact CE2-CD1 4.18Å; F364-F369 AromaticContact CE2-CE1 3.73Å; F364-F369 HydrophobicContact CE2-CE1 3.73Å; F364-A372 HydrophobicContact CB-CB 4.05Å; F364-F376 HydrophobicContact CB-CE2 4.36Å; F364-F376 HydrophobicContact CB-CZ 4.07Å; F364-L389 HydrophobicContact CE1-CD1 4.04Å; F364-L413 HydrophobicContact CZ-CD1 4.49Å; F364-L416 HydrophobicContact CD1-CD2 4.11Å; F364-L416 HydrophobicContact CE1-CD2 3.5Å; F364-L416 HydrophobicContact CZ-CD2 4.08Å; F364-C427 HydrophobicContact CE2-CB 4.44Å; F364-C427 HydrophobicContact CZ-CB 4.1Å; F364-F430 AromaticContact CD2-CD1 3.8Å; F364-F430 HydrophobicContact CD2-CD1 3.8Å; F364-F430 AromaticContact CD2-CE1 3.66Å; F364-F430 HydrophobicContact CD2-CE1 3.66Å; F364-F430 HydrophobicContact CD2-CZ 4.36Å; F364-F430 AromaticContact CE2-CD1 3.43Å; F364-F430 HydrophobicContact CE2-CD1 3.43Å; F364-F430 VanDerWaalsContact CE2-CD1 3.43Å; F364-F430 AromaticContact CE2-CE1 3.7Å; F364-F430 HydrophobicContact CE2-CE1 3.7Å; F364-F430 HydrophobicContact CE2-CG 4.3Å
365	G	87	Confident	91.5	Very high	31 Å²	31	36.5 Å²	36.5	32%	0.32	18%	0.184	S	C	.	.	H	α-helix	trans	-65.4	-26.3	174.9	0	0	0	0	0	114.4	F361 I362 L367	F361-G365 PolarHBondContact O-N 3.44Å; I362-G365 PolarHBondContact O-N 2.82Å; G365-L367 PolarHBondContact O-N 3.29Å
366	Q	89.5	Confident	91.6	Very high	86 Å²	86	36.5 Å²	36.5	40%	0.402	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	3.4	171.7	-66.9	174.7	-10.9	0	0	113.4	I362 K363 F364 Q368	I362-Q366 WeakPolarHBondContact O-CG 3.31Å; I362-Q366 PolarHBondContact O-N 2.74Å; I362-Q366 VanDerWaalsContact O-N 3.09Å; K363-Q366 CarbonylContact O-C 3.48Å; K363-Q366 PolarHBondContact O-N 3.33Å; F364-Q366 VanDerWaalsContact C-N 3.26Å; F364-Q366 PolarHBondContact O-N 3.07Å; Q366-Q368 HydrophobicContact CB-CG 4.31Å; Q366-Q368 PolarHBondContact O-N 2.84Å
367	L	88.8	Confident	91.4	Very high	53 Å²	53	42.1 Å²	42.1	28%	0.277	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	19.4	-176	-50.3	173.4	0	0	0	114.1	K363 F364 G365 F369 K423	K363-L367 PolarHBondContact O-N 2.65Å; F364-L367 WeakPolarHBondContact O-CA 3.4Å; F364-L367 PolarHBondContact O-N 2.95Å; G365-L367 PolarHBondContact O-N 3.29Å; L367-F369 VanDerWaalsContact C-N 3.29Å; L367-F369 HydrophobicContact CB-CE2 4.28Å; L367-F369 HydrophobicContact CB-CZ 4.25Å; L367-F369 HydrophobicContact CD2-CE1 4.38Å; L367-F369 HydrophobicContact CD2-CE2 4.46Å; L367-F369 HydrophobicContact CD2-CZ 3.75Å; L367-F369 WeakPolarHBondContact O-CD2 3.4Å; L367-F369 PolarHBondContact O-N 3.02Å; L367-F369 VanDerWaalsContact O-N 3.09Å; L367-K423 HydrophobicContact CD1-CD 4.25Å; L367-K423 HydrophobicContact CD1-CG 4.08Å
368	Q	91.5	Very high	91.2	Very high	78 Å²	78	46.5 Å²	46.5	36%	0.364	22%	0.223	S	C	.	.			trans	-86	68.9	175.3	-67.3	-176.7	-30	0	0	110.2	K363 Q366 L370 E371 A372	K363-Q368 HydrophobicContact CB-CB 4.37Å; K363-Q368 HydrophobicContact CD-CB 4.43Å; K363-Q368 PolarHBondContact O-N 3.38Å; Q366-Q368 HydrophobicContact CB-CG 4.31Å; Q366-Q368 PolarHBondContact O-N 2.84Å; Q368-L370 PolarHBondContact O-N 2.98Å; Q368-E371 PolarHBondContact O-N 3.2Å; Q368-E371 PolarHBondContact OE1-OE2 3.29Å; Q368-A372 WeakPolarHBondContact O-CB 3.27Å; Q368-A372 PolarHBondContact O-N 3.4Å
369	F	92	Very high	90.9	Very high	43 Å²	43	45.7 Å²	45.7	19%	0.189	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-36.3	-169.2	-66.4	-52.4	0	0	0	115	F364 L367 K373 R426 F430	F364-F369 AromaticContact CD2-CD1 3.95Å; F364-F369 HydrophobicContact CD2-CD1 3.95Å; F364-F369 AromaticContact CD2-CE1 3.82Å; F364-F369 HydrophobicContact CD2-CE1 3.82Å; F364-F369 HydrophobicContact CE2-CD1 4.18Å; F364-F369 AromaticContact CE2-CE1 3.73Å; F364-F369 HydrophobicContact CE2-CE1 3.73Å; L367-F369 VanDerWaalsContact C-N 3.29Å; L367-F369 HydrophobicContact CB-CE2 4.28Å; L367-F369 HydrophobicContact CB-CZ 4.25Å; L367-F369 HydrophobicContact CD2-CE1 4.38Å; L367-F369 HydrophobicContact CD2-CE2 4.46Å; L367-F369 HydrophobicContact CD2-CZ 3.75Å; L367-F369 WeakPolarHBondContact O-CD2 3.4Å; L367-F369 PolarHBondContact O-N 3.02Å; L367-F369 VanDerWaalsContact O-N 3.09Å; F369-K373 VanDerWaalsContact O-CB 3.26Å; F369-K373 WeakPolarHBondContact O-CB 3.39Å; F369-K373 PolarHBondContact O-N 3.33Å; F369-R426 HydrophobicContact CE2-CB 4.01Å; F369-R426 HydrophobicContact CZ-CB 4.19Å; F369-F430 HydrophobicContact CB-CD2 3.49Å; F369-F430 VanDerWaalsContact CB-CD2 3.49Å; F369-F430 HydrophobicContact CB-CE2 3.9Å; F369-F430 HydrophobicContact CB-CG 4.25Å; F369-F430 HydrophobicContact CD1-CB 3.61Å; F369-F430 HydrophobicContact CD1-CD1 4.02Å; F369-F430 AromaticContact CD1-CD2 3.55Å; F369-F430 HydrophobicContact CD1-CD2 3.55Å; F369-F430 HydrophobicContact CD1-CE2 4.13Å; F369-F430 AromaticContact CD1-CG 3.42Å; F369-F430 HydrophobicContact CD1-CG 3.42Å; F369-F430 VanDerWaalsContact CD1-CG 3.42Å; F369-F430 HydrophobicContact CD2-CB 4.49Å; F369-F430 HydrophobicContact CE1-CB 3.85Å; F369-F430 HydrophobicContact CE1-CD1 4.41Å; F369-F430 HydrophobicContact CE1-CG 4.01Å; F369-F430 HydrophobicContact CG-CB 3.97Å; F369-F430 AromaticContact CG-CD2 3.73Å; F369-F430 HydrophobicContact CG-CD2 3.73Å; F369-F430 HydrophobicContact CG-CE2 4.41Å; F369-F430 AromaticContact CG-CG 3.96Å; F369-F430 HydrophobicContact CG-CG 3.96Å; F369-F430 HydrophobicContact CZ-CB 4.38Å; F369-F430 VanDerWaalsContact O-CE2 3.3Å; F369-F430 WeakPolarHBondContact O-CE2 3.24Å
370	L	91.4	Very high	90.7	Very high	153 Å²	153	50.1 Å²	50.1	80%	0.801	24%	0.24	S	C	*	.	H	α-helix	trans	-66.4	-45.9	-179.3	-67.2	176.3	0	0	0	111.6	Q368 E374	Q368-L370 PolarHBondContact O-N 2.98Å; L370-E374 PolarHBondContact O-N 2.95Å
371	E	91	Very high	90.5	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-44	176.7	-66.3	176	-157.7	0	0	110.8	K363 Q368 K373 E374 H375	K363-E371 HydrophobicContact CD-CB 4.38Å; K363-E371 WeakPolarHBondContact CD-OE2 3.49Å; K363-E371 WeakPolarHBondContact CE-OE2 3.37Å; K363-E371 HydrophobicContact CG-CB 4.44Å; K363-E371 IonicContact NZ-OE2 2.77Å; K363-E371 PolarHBondContact NZ-OE2 2.96Å; Q368-E371 PolarHBondContact O-N 3.2Å; Q368-E371 PolarHBondContact OE1-OE2 3.29Å; E371-K373 VanDerWaalsContact C-N 3.3Å; E371-K373 PolarHBondContact O-N 3.21Å; E371-E374 PolarHBondContact O-N 3.21Å; E371-H375 PolarHBondContact O-CD2 2.75Å; E371-H375 PolarHBondContact O-N 3.11Å
372	A	93.2	Very high	90.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.5	-45.9	176.6	0	0	0	0	0	111.9	G360 K363 F364 Q368 E374 H375 F376	G360-A372 WeakPolarHBondContact O-CB 3.5Å; K363-A372 HydrophobicContact CB-CB 3.91Å; F364-A372 HydrophobicContact CB-CB 4.05Å; Q368-A372 WeakPolarHBondContact O-CB 3.27Å; Q368-A372 PolarHBondContact O-N 3.4Å; A372-E374 PolarHBondContact O-N 3.22Å; A372-H375 PolarHBondContact O-N 3.18Å; A372-F376 HydrophobicContact CB-CE2 4.04Å; A372-F376 WeakPolarHBondContact O-CD2 3.47Å; A372-F376 WeakPolarHBondContact O-CG 3.04Å; A372-F376 PolarHBondContact O-N 3.36Å
373	K	91.9	Very high	90.1	Very high	32 Å²	32	51.5 Å²	51.5	14%	0.139	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-46.1	176.9	-179.8	167	177.8	-175.5	0	112.8	F369 E371 H375 F376 R377 F430 Y434 E437	F369-K373 VanDerWaalsContact O-CB 3.26Å; F369-K373 WeakPolarHBondContact O-CB 3.39Å; F369-K373 PolarHBondContact O-N 3.33Å; E371-K373 VanDerWaalsContact C-N 3.3Å; E371-K373 PolarHBondContact O-N 3.21Å; K373-H375 VanDerWaalsContact C-N 3.35Å; K373-F376 PolarHBondContact O-N 3.45Å; K373-R377 WeakPolarHBondContact O-CG 3.49Å; K373-R377 PolarHBondContact O-N 3.22Å; K373-F430 HydrophobicContact CB-CE2 4.02Å; K373-F430 HydrophobicContact CB-CZ 4.43Å; K373-Y434 HydrophobicContact CD-CD2 4.49Å; K373-Y434 HydrophobicContact CG-CD2 3.96Å; K373-Y434 HydrophobicContact CG-CE2 4.35Å; K373-E437 WeakPolarHBondContact CE-OE2 3.24Å; K373-E437 IonicContact NZ-OE1 3.82Å; K373-E437 PolarHBondContact NZ-OE1 2.87Å; K373-E437 IonicContact NZ-OE2 2.84Å; K373-E437 PolarHBondContact NZ-OE2 3.39Å
374	E	91.6	Very high	90	Very high	85 Å²	85	53.2 Å²	53.2	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-42.6	-179.6	-176.3	61.3	-170.4	0	0	111.2	L370 E371 A372 R377 K378	L370-E374 PolarHBondContact O-N 2.95Å; E371-E374 PolarHBondContact O-N 3.21Å; A372-E374 PolarHBondContact O-N 3.22Å; E374-R377 PolarHBondContact O-N 3.21Å; E374-K378 HydrophobicContact CG-CD 4.26Å; E374-K378 WeakPolarHBondContact O-CB 3.46Å; E374-K378 WeakPolarHBondContact O-CG 3.47Å; E374-K378 PolarHBondContact O-N 3.28Å; E374-K378 WeakPolarHBondContact OE1-CE 2.94Å; E374-K378 IonicContact OE1-NZ 3.1Å; E374-K378 PolarHBondContact OE1-NZ 2.87Å
375	H	92.5	Very high	89.8	Confident	22 Å²	22	53.4 Å²	53.4	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-40.7	174.9	-67.4	-55.9	0	0	0	112.5	E371 A372 K373 R377 K378 G379	E371-H375 PolarHBondContact O-CD2 2.75Å; E371-H375 PolarHBondContact O-N 3.11Å; A372-H375 PolarHBondContact O-N 3.18Å; K373-H375 VanDerWaalsContact C-N 3.35Å; H375-R377 PolarHBondContact O-N 2.8Å; H375-K378 PolarHBondContact O-N 3.49Å; H375-G379 WeakPolarHBondContact O-CA 3.48Å; H375-G379 PolarHBondContact O-N 2.68Å
376	F	92.2	Very high	89.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-37.5	175.9	-63.3	-36.6	0	0	0	112.9	G360 F361 F364 A372 K373 E380 L381 L386 F430 Y434	G360-F376 VanDerWaalsContact CA-CE1 3.43Å; G360-F376 WeakPolarHBondContact O-CZ 3.21Å; F361-F376 HydrophobicContact CD1-CE1 4.28Å; F361-F376 HydrophobicContact CD1-CZ 4.11Å; F361-F376 AromaticContact CD2-CE1 3.96Å; F361-F376 HydrophobicContact CD2-CE1 3.96Å; F361-F376 HydrophobicContact CE1-CE1 4.44Å; F361-F376 HydrophobicContact CE1-CZ 4.31Å; F361-F376 HydrophobicContact CE2-CE1 4.11Å; F361-F376 HydrophobicContact CG-CE1 4.03Å; F361-F376 HydrophobicContact CG-CZ 4.23Å; F361-F376 HydrophobicContact CZ-CE1 4.35Å; F364-F376 HydrophobicContact CB-CE2 4.36Å; F364-F376 HydrophobicContact CB-CZ 4.07Å; A372-F376 HydrophobicContact CB-CE2 4.04Å; A372-F376 WeakPolarHBondContact O-CD2 3.47Å; A372-F376 WeakPolarHBondContact O-CG 3.04Å; A372-F376 PolarHBondContact O-N 3.36Å; K373-F376 PolarHBondContact O-N 3.45Å; F376-E380 PolarHBondContact O-N 3.14Å; F376-L381 HydrophobicContact CB-CB 4.15Å; F376-L381 HydrophobicContact CB-CD2 4.24Å; F376-L381 HydrophobicContact CD1-CB 4.3Å; F376-L381 HydrophobicContact CD1-CD2 3.43Å; F376-L381 VanDerWaalsContact CD1-CD2 3.43Å; F376-L381 HydrophobicContact CD1-CG 4.4Å; F376-L381 HydrophobicContact CD2-CD2 4.4Å; F376-L381 HydrophobicContact CE1-CD2 3.72Å; F376-L381 HydrophobicContact CG-CD2 3.8Å; F376-L381 HydrophobicContact CZ-CD2 4.34Å; F376-L381 PolarHBondContact O-N 3.18Å; F376-L381 VanDerWaalsContact O-N 3.11Å; F376-L386 HydrophobicContact CD2-CD1 3.91Å; F376-L386 HydrophobicContact CE2-CD1 3.85Å; F376-L386 HydrophobicContact CE2-CD2 3.99Å; F376-L386 HydrophobicContact CE2-CG 4.45Å; F376-L386 HydrophobicContact CZ-CD1 4.36Å; F376-L386 HydrophobicContact CZ-CD2 4.01Å; F376-F430 HydrophobicContact CD2-CZ 4.1Å; F376-F430 HydrophobicContact CE2-CE1 4.14Å; F376-F430 AromaticContact CE2-CZ 3.97Å; F376-F430 HydrophobicContact CE2-CZ 3.97Å; F376-Y434 HydrophobicContact CB-CE2 4.03Å; F376-Y434 WeakPolarHBondContact CB-OH 3.47Å
377	R	89.4	Confident	89.8	Confident	125 Å²	125	47.8 Å²	47.8	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-66.4	-50.6	175.1	-73.7	-179.2	68.5	136.8	1.5	111.6	K373 E374 H375 G379 E380 Y434 E437	K373-R377 WeakPolarHBondContact O-CG 3.49Å; K373-R377 PolarHBondContact O-N 3.22Å; E374-R377 PolarHBondContact O-N 3.21Å; H375-R377 PolarHBondContact O-N 2.8Å; R377-G379 VanDerWaalsContact C-N 3.27Å; R377-G379 PolarHBondContact O-N 2.93Å; R377-E380 PolarHBondContact O-N 2.94Å; R377-Y434 HydrophobicContact CG-CE2 4.31Å; R377-E437 IonicContact NH1-OE2 3.26Å; R377-E437 PolarHBondContact NH1-OE2 2.79Å
378	K	89.5	Confident	89.7	Confident	122 Å²	122	46.3 Å²	46.3	53%	0.53	21%	0.214	S	C	.	.	H	α-helix	trans	-64.6	-32.6	178.1	-74.6	174.8	168.7	150.3	0	112.7	L356 E374 H375 E380	L356-K378 HydrophobicContact CD1-CB 3.87Å; E374-K378 HydrophobicContact CG-CD 4.26Å; E374-K378 WeakPolarHBondContact O-CB 3.46Å; E374-K378 WeakPolarHBondContact O-CG 3.47Å; E374-K378 PolarHBondContact O-N 3.28Å; E374-K378 WeakPolarHBondContact OE1-CE 2.94Å; E374-K378 IonicContact OE1-NZ 3.1Å; E374-K378 PolarHBondContact OE1-NZ 2.87Å; H375-K378 PolarHBondContact O-N 3.49Å; K378-E380 VanDerWaalsContact C-N 3.32Å
379	G	86.6	Confident	89.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.4	178.5	0	0	0	0	0	114.7	Q357 H375 R377 L381	Q357-G379 PolarHBondContact NE2-O 3.25Å; H375-G379 WeakPolarHBondContact O-CA 3.48Å; H375-G379 PolarHBondContact O-N 2.68Å; R377-G379 VanDerWaalsContact C-N 3.27Å; R377-G379 PolarHBondContact O-N 2.93Å; G379-L381 VanDerWaalsContact C-N 3.29Å; G379-L381 PolarHBondContact O-N 3.36Å
380	E	88.6	Confident	89	Confident	93 Å²	93	41 Å²	41	44%	0.435	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	51.5	-175.1	-65.6	170.6	-152	0	0	111.7	R353 Q357 F376 R377 K378 D382	R353-E380 IonicContact CZ-OE1 2.96Å; R353-E380 VanDerWaalsContact CZ-OE1 3.29Å; R353-E380 IonicContact CZ-OE2 2.68Å; R353-E380 IonicContact NE-OE1 2.79Å; R353-E380 IonicContact NE-OE2 3.11Å; R353-E380 IonicContact NH1-OE2 2.83Å; R353-E380 PolarHBondContact NH1-OE2 3Å; R353-E380 IonicContact NH2-OE1 3.81Å; R353-E380 PolarHBondContact NH2-OE1 2.95Å; R353-E380 IonicContact NH2-OE2 2.88Å; R353-E380 PolarHBondContact NH2-OE2 3.49Å; Q357-E380 PolarHBondContact NE2-O 3.06Å; F376-E380 PolarHBondContact O-N 3.14Å; R377-E380 PolarHBondContact O-N 2.94Å; K378-E380 VanDerWaalsContact C-N 3.32Å; E380-D382 PolarHBondContact O-N 3.4Å
381	L	89.1	Confident	88.5	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	18%	0.175	C	C	.	.			trans	-62.5	133.9	-178.3	179.5	66.4	0	0	0	111.2	Q357 F361 F376 G379 V383 E385 L386 L407	Q357-L381 HydrophobicContact CB-CD1 4.23Å; Q357-L381 HydrophobicContact CG-CB 4.23Å; Q357-L381 HydrophobicContact CG-CD1 3.93Å; F361-L381 HydrophobicContact CE2-CD1 3.75Å; F361-L381 HydrophobicContact CE2-CD2 3.97Å; F361-L381 HydrophobicContact CZ-CD1 4.14Å; F361-L381 HydrophobicContact CZ-CD2 3.8Å; F376-L381 HydrophobicContact CB-CB 4.15Å; F376-L381 HydrophobicContact CB-CD2 4.24Å; F376-L381 HydrophobicContact CD1-CB 4.3Å; F376-L381 HydrophobicContact CD1-CD2 3.43Å; F376-L381 VanDerWaalsContact CD1-CD2 3.43Å; F376-L381 HydrophobicContact CD1-CG 4.4Å; F376-L381 HydrophobicContact CD2-CD2 4.4Å; F376-L381 HydrophobicContact CE1-CD2 3.72Å; F376-L381 HydrophobicContact CG-CD2 3.8Å; F376-L381 HydrophobicContact CZ-CD2 4.34Å; F376-L381 PolarHBondContact O-N 3.18Å; F376-L381 VanDerWaalsContact O-N 3.11Å; G379-L381 VanDerWaalsContact C-N 3.29Å; G379-L381 PolarHBondContact O-N 3.36Å; L381-V383 PolarHBondContact O-N 3.49Å; L381-V383 VanDerWaalsContact O-N 3.09Å; L381-E385 HydrophobicContact CD1-CB 4.18Å; L381-E385 HydrophobicContact CD1-CG 4.19Å; L381-L386 HydrophobicContact CD2-CD1 3.65Å; L381-L386 HydrophobicContact CD2-CG 3.81Å; L381-L407 HydrophobicContact CD1-CD1 4.01Å
382	D	87.4	Confident	88	Confident	50 Å²	50	39.5 Å²	39.5	27%	0.267	19%	0.188	S	C	.	.			trans	-66	109.8	163.5	-171.9	-22.1	0	0	0	109.1	E380 R384 E385	E380-D382 PolarHBondContact O-N 3.4Å; D382-R384 PolarHBondContact O-N 3.11Å; D382-R384 WeakPolarHBondContact OD1-CB 2.91Å; D382-R384 WeakPolarHBondContact OD1-CG 3.08Å; D382-R384 IonicContact OD1-CZ 3.35Å; D382-R384 PolarHBondContact OD1-N 2.97Å; D382-R384 IonicContact OD1-NE 2.84Å; D382-R384 PolarHBondContact OD1-NE 3.41Å; D382-R384 IonicContact OD1-NH2 3.7Å; D382-R384 IonicContact OD2-CZ 2.68Å; D382-R384 IonicContact OD2-NE 3.18Å; D382-R384 PolarHBondContact OD2-NE 2.97Å; D382-R384 VanDerWaalsContact OD2-NE 3.15Å; D382-R384 IonicContact OD2-NH2 2.7Å; D382-R384 PolarHBondContact OD2-NH2 3.02Å; D382-E385 WeakPolarHBondContact O-CB 3.33Å; D382-E385 PolarHBondContact O-N 3.48Å
383	V	87.6	Confident	87.5	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-55	-27	-175.1	-175.5	0	0	0	0	112.6	L381 E385 L386 I387 Y434 L435 V438 V451	L381-V383 PolarHBondContact O-N 3.49Å; L381-V383 VanDerWaalsContact O-N 3.09Å; V383-E385 PolarHBondContact O-N 3.34Å; V383-L386 WeakPolarHBondContact O-CB 3.48Å; V383-L386 PolarHBondContact O-N 3.09Å; V383-I387 HydrophobicContact CG1-CD1 4.08Å; V383-I387 HydrophobicContact CG1-CG1 4.3Å; V383-I387 WeakPolarHBondContact O-CG1 3.16Å; V383-I387 PolarHBondContact O-N 3.38Å; V383-Y434 HydrophobicContact CG1-CE1 4.4Å; V383-Y434 HydrophobicContact CG2-CE1 4.32Å; V383-L435 HydrophobicContact CB-CD2 4.48Å; V383-L435 HydrophobicContact CG1-CD2 3Å; V383-L435 HydrophobicContact CG1-CG 4.48Å; V383-V438 HydrophobicContact CG2-CG1 3.64Å; V383-V451 HydrophobicContact CB-CG2 4.45Å; V383-V451 HydrophobicContact CG1-CG2 4.16Å
384	R	87.4	Confident	87.1	Confident	56 Å²	56	40.3 Å²	40.3	21%	0.211	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-25.6	178.1	-63.1	173.5	-65.9	-173	-1.5	112.8	D382 L386 I387 S388 L394 F400 C447 D450	D382-R384 PolarHBondContact O-N 3.11Å; D382-R384 WeakPolarHBondContact OD1-CB 2.91Å; D382-R384 WeakPolarHBondContact OD1-CG 3.08Å; D382-R384 IonicContact OD1-CZ 3.35Å; D382-R384 PolarHBondContact OD1-N 2.97Å; D382-R384 IonicContact OD1-NE 2.84Å; D382-R384 PolarHBondContact OD1-NE 3.41Å; D382-R384 IonicContact OD1-NH2 3.7Å; D382-R384 IonicContact OD2-CZ 2.68Å; D382-R384 IonicContact OD2-NE 3.18Å; D382-R384 PolarHBondContact OD2-NE 2.97Å; D382-R384 VanDerWaalsContact OD2-NE 3.15Å; D382-R384 IonicContact OD2-NH2 2.7Å; D382-R384 PolarHBondContact OD2-NH2 3.02Å; R384-L386 VanDerWaalsContact C-N 3.33Å; R384-L386 PolarHBondContact O-N 3.24Å; R384-I387 PolarHBondContact O-N 2.82Å; R384-S388 VanDerWaalsContact O-CB 3.24Å; R384-S388 WeakPolarHBondContact O-CB 3.12Å; R384-S388 PolarHBondContact O-N 3.32Å; R384-L394 HydrophobicContact CB-CD2 4.47Å; R384-L394 HydrophobicContact CG-CD2 4.46Å; R384-F400 HydrophobicContact CB-CB 4.47Å; R384-F400 HydrophobicContact CB-CD1 3.87Å; R384-F400 HydrophobicContact CB-CD2 3.56Å; R384-F400 HydrophobicContact CB-CE1 3.94Å; R384-F400 HydrophobicContact CB-CE2 3.64Å; R384-F400 HydrophobicContact CB-CG 3.68Å; R384-F400 HydrophobicContact CB-CZ 3.82Å; R384-F400 HydrophobicContact CG-CD2 4.35Å; R384-F400 WeakPolarHBondContact O-CE1 3.18Å; R384-C447 HydrophobicContact CG-CB 4.27Å; R384-D450 WeakPolarHBondContact CD-OD2 3.2Å; R384-D450 HydrophobicContact CG-CB 4.18Å; R384-D450 IonicContact NH1-OD2 2.66Å
385	E	88.1	Confident	86.5	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-47.3	170.5	-70.1	-69.5	174.3	0	0	110.6	F361 L381 D382 V383 S388 F400 R402 C403 L407	F361-E385 HydrophobicContact CZ-CB 3.9Å; L381-E385 HydrophobicContact CD1-CB 4.18Å; L381-E385 HydrophobicContact CD1-CG 4.19Å; D382-E385 WeakPolarHBondContact O-CB 3.33Å; D382-E385 PolarHBondContact O-N 3.48Å; V383-E385 PolarHBondContact O-N 3.34Å; E385-S388 PolarHBondContact O-N 2.9Å; E385-S388 PolarHBondContact O-OG 3.03Å; E385-F400 HydrophobicContact CB-CZ 4.38Å; E385-F400 HydrophobicContact CG-CZ 3.77Å; E385-R402 WeakPolarHBondContact OE1-CA 3.42Å; E385-R402 WeakPolarHBondContact OE2-CG 3.41Å; E385-C403 WeakPolarHBondContact OE1-CB 3.27Å; E385-C403 PolarHBondContact OE1-N 2.84Å; E385-C403 PolarHBondContact OE1-SG 3.45Å; E385-L407 HydrophobicContact CG-CD1 4.31Å
386	L	88.1	Confident	85.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.2	-44	177	-77.9	166.3	0	0	0	112	F361 F376 L381 V383 R384 S388 L389 Y390 L431 Y434	F361-L386 HydrophobicContact CD1-CD2 4.36Å; F361-L386 HydrophobicContact CE1-CD2 3.61Å; F361-L386 HydrophobicContact CE1-CG 4.09Å; F361-L386 HydrophobicContact CZ-CD2 4.24Å; F361-L386 HydrophobicContact CZ-CG 4.23Å; F376-L386 HydrophobicContact CD2-CD1 3.91Å; F376-L386 HydrophobicContact CE2-CD1 3.85Å; F376-L386 HydrophobicContact CE2-CD2 3.99Å; F376-L386 HydrophobicContact CE2-CG 4.45Å; F376-L386 HydrophobicContact CZ-CD1 4.36Å; F376-L386 HydrophobicContact CZ-CD2 4.01Å; L381-L386 HydrophobicContact CD2-CD1 3.65Å; L381-L386 HydrophobicContact CD2-CG 3.81Å; V383-L386 WeakPolarHBondContact O-CB 3.48Å; V383-L386 PolarHBondContact O-N 3.09Å; R384-L386 VanDerWaalsContact C-N 3.33Å; R384-L386 PolarHBondContact O-N 3.24Å; L386-S388 PolarHBondContact O-N 3.34Å; L386-L389 HydrophobicContact CD2-CD1 4.38Å; L386-L389 WeakPolarHBondContact O-CB 3.14Å; L386-L389 PolarHBondContact O-N 2.98Å; L386-Y390 VanDerWaalsContact O-CD2 3.24Å; L386-Y390 WeakPolarHBondContact O-CD2 3.31Å; L386-Y390 WeakPolarHBondContact O-CE2 3.47Å; L386-L431 HydrophobicContact CB-CD1 4.25Å; L386-Y434 HydrophobicContact CD1-CD1 3.84Å; L386-Y434 HydrophobicContact CD1-CE1 3.63Å
387	I	87.2	Confident	84.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-37	178.8	-57.5	170.2	0	0	0	110.2	V383 R384 L389 Y390 L393 L394 L435 V451 A454	V383-I387 HydrophobicContact CG1-CD1 4.08Å; V383-I387 HydrophobicContact CG1-CG1 4.3Å; V383-I387 WeakPolarHBondContact O-CG1 3.16Å; V383-I387 PolarHBondContact O-N 3.38Å; R384-I387 PolarHBondContact O-N 2.82Å; I387-L389 PolarHBondContact O-N 3.24Å; I387-L389 VanDerWaalsContact O-N 3.11Å; I387-Y390 PolarHBondContact O-N 3.3Å; I387-L393 HydrophobicContact CG2-CB 3.73Å; I387-L394 HydrophobicContact CB-CD2 4.17Å; I387-L394 HydrophobicContact CB-CG 4.34Å; I387-L394 HydrophobicContact CG2-CD2 3.84Å; I387-L394 HydrophobicContact CG2-CG 3.8Å; I387-L435 HydrophobicContact CD1-CD2 4.21Å; I387-L435 HydrophobicContact CG1-CD1 4.45Å; I387-L435 HydrophobicContact CG1-CD2 4.28Å; I387-V451 HydrophobicContact CD1-CG2 4.3Å; I387-A454 HydrophobicContact CD1-CB 3.99Å; I387-A454 HydrophobicContact CG1-CB 4.32Å; I387-A454 HydrophobicContact CG2-CB 3.78Å
388	S	87.4	Confident	84.3	Confident	21 Å²	21	39.2 Å²	39.2	15%	0.147	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.5	179.6	84.4	0	0	0	0	114.4	R384 E385 L386 Y390 R402	R384-S388 VanDerWaalsContact O-CB 3.24Å; R384-S388 WeakPolarHBondContact O-CB 3.12Å; R384-S388 PolarHBondContact O-N 3.32Å; E385-S388 PolarHBondContact O-N 2.9Å; E385-S388 PolarHBondContact O-OG 3.03Å; L386-S388 PolarHBondContact O-N 3.34Å; S388-Y390 VanDerWaalsContact C-N 3.26Å; S388-R402 PolarHBondContact O-NH2 3.45Å; S388-R402 PolarHBondContact OG-NE 2.85Å
389	L	85.1	Confident	83.8	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.6	173	-65.8	177	0	0	0	112.4	F361 F364 L386 I387 P391 H408 F410 D412 L413	F361-L389 HydrophobicContact CE1-CD1 4.14Å; F364-L389 HydrophobicContact CE1-CD1 4.04Å; L386-L389 HydrophobicContact CD2-CD1 4.38Å; L386-L389 WeakPolarHBondContact O-CB 3.14Å; L386-L389 PolarHBondContact O-N 2.98Å; I387-L389 PolarHBondContact O-N 3.24Å; I387-L389 VanDerWaalsContact O-N 3.11Å; L389-P391 WeakPolarHBondContact O-CD 3.41Å; L389-H408 VanDerWaalsContact CD2-CE1 3.47Å; L389-H408 WeakPolarHBondContact CD2-CE1 3.47Å; L389-F410 HydrophobicContact CD2-CB 3.9Å; L389-D412 CarbonylContact O-C 3.6Å; L389-L413 PolarHBondContact O-N 3.09Å
390	Y	84.7	Confident	83.6	Confident	8 Å²	8	40.3 Å²	40.3	3%	0.031	24%	0.242	C	C	.	.	S	Bend	trans	-102.5	110.6	-177.7	-62.3	-107.1	0	0	0	108.8	L386 I387 S388 L392 L393 L413 C427 K428 L431	L386-Y390 VanDerWaalsContact O-CD2 3.24Å; L386-Y390 WeakPolarHBondContact O-CD2 3.31Å; L386-Y390 WeakPolarHBondContact O-CE2 3.47Å; I387-Y390 PolarHBondContact O-N 3.3Å; S388-Y390 VanDerWaalsContact C-N 3.26Å; Y390-L392 PolarHBondContact O-N 3.42Å; Y390-L393 HydrophobicContact CD1-CD1 4.02Å; Y390-L393 HydrophobicContact CD2-CD1 4.45Å; Y390-L393 HydrophobicContact CG-CD1 3.69Å; Y390-L393 PolarHBondContact O-N 3.24Å; Y390-L413 HydrophobicContact CD1-CD1 4.32Å; Y390-L413 HydrophobicContact CD1-CD2 3.84Å; Y390-L413 HydrophobicContact CE1-CD1 3.76Å; Y390-L413 HydrophobicContact CE1-CD2 3.58Å; Y390-L413 HydrophobicContact CE1-CG 4.28Å; Y390-L413 HydrophobicContact CE2-CD1 3.94Å; Y390-C427 WeakPolarHBondContact OH-CB 3.25Å; Y390-C427 PolarHBondContact OH-O 2.78Å; Y390-K428 HydrophobicContact CD1-CG 4.07Å; Y390-K428 HydrophobicContact CE1-CB 4.38Å; Y390-K428 HydrophobicContact CE1-CG 3.64Å; Y390-L431 HydrophobicContact CD1-CD2 4.21Å; Y390-L431 HydrophobicContact CD2-CD2 3.64Å; Y390-L431 HydrophobicContact CE1-CD2 4.03Å; Y390-L431 HydrophobicContact CE2-CB 4.39Å; Y390-L431 HydrophobicContact CE2-CD2 3.49Å; Y390-L431 VanDerWaalsContact CE2-CD2 3.49Å; Y390-L431 HydrophobicContact CE2-CG 4.35Å; Y390-L431 HydrophobicContact CG-CD2 4.02Å
391	P	79.5	Confident	83.2	Confident	76 Å²	76	43.7 Å²	43.7	49%	0.494	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	140.1	178.4	-24.7	34.3	0	0	0	111.3	L389 L393	L389-P391 WeakPolarHBondContact O-CD 3.41Å; P391-L393 PolarHBondContact O-N 3.36Å
392	L	80.4	Confident	82.9	Confident	130 Å²	130	48.4 Å²	48.4	68%	0.681	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	-1.2	175.4	-48.8	170	0	0	0	116.7	Y390 K457 W485	Y390-L392 PolarHBondContact O-N 3.42Å; L392-K457 PolarHBondContact O-NZ 3.43Å; L392-W485 HydrophobicContact CB-CH2 4.5Å; L392-W485 HydrophobicContact CB-CZ3 4.28Å; L392-W485 HydrophobicContact CD1-CZ3 4.38Å
393	L	83.3	Confident	82.6	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.031	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-43.3	176.7	-69.1	-167.8	0	0	0	112.8	I387 Y390 P391 L431 A454 K457 L458	I387-L393 HydrophobicContact CG2-CB 3.73Å; Y390-L393 HydrophobicContact CD1-CD1 4.02Å; Y390-L393 HydrophobicContact CD2-CD1 4.45Å; Y390-L393 HydrophobicContact CG-CD1 3.69Å; Y390-L393 PolarHBondContact O-N 3.24Å; P391-L393 PolarHBondContact O-N 3.36Å; L393-L431 HydrophobicContact CD1-CD2 3.96Å; L393-A454 HydrophobicContact CB-CB 4.32Å; L393-K457 HydrophobicContact CD2-CB 3.72Å; L393-K457 HydrophobicContact CD2-CD 4.18Å; L393-K457 PolarHBondContact O-NZ 3.48Å; L393-L458 HydrophobicContact CD1-CD1 3.96Å; L393-L458 HydrophobicContact CD1-CD2 3.77Å; L393-L458 HydrophobicContact CD1-CG 3.82Å; L393-L458 HydrophobicContact CD2-CD2 4.31Å; L393-L458 HydrophobicContact CD2-CG 4.2Å
394	L	82.8	Confident	82.1	Confident	43 Å²	43	57 Å²	57	23%	0.225	32%	0.321	C	S	.	.	S	Bend	trans	-61.2	137.6	175.3	-79.7	171.8	0	0	0	110.9	R384 I387 F400 D450	R384-L394 HydrophobicContact CB-CD2 4.47Å; R384-L394 HydrophobicContact CG-CD2 4.46Å; I387-L394 HydrophobicContact CB-CD2 4.17Å; I387-L394 HydrophobicContact CB-CG 4.34Å; I387-L394 HydrophobicContact CG2-CD2 3.84Å; I387-L394 HydrophobicContact CG2-CG 3.8Å; L394-F400 HydrophobicContact CD1-CD1 4.19Å; L394-D450 HydrophobicContact CD2-CB 4.32Å
395	P	78.7	Confident	81.8	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.039	33%	0.331	C	S	.	.			trans	-61.1	148.4	172.2	-21.4	31.6	0	0	0	112.4	S397 S398 D450 T453 V478 D481	P395-S397 PolarHBondContact O-N 3.32Å; P395-S398 VanDerWaalsContact O-CB 3.27Å; P395-S398 WeakPolarHBondContact O-CB 3.21Å; P395-S398 PolarHBondContact O-N 3.03Å; P395-D450 VanDerWaalsContact CD-OD1 3.25Å; P395-D450 WeakPolarHBondContact CD-OD1 3.37Å; P395-D450 WeakPolarHBondContact CG-OD1 3.39Å; P395-T453 HydrophobicContact CG-CG2 3.97Å; P395-V478 HydrophobicContact CB-CG2 4.33Å; P395-V478 HydrophobicContact CG-CG2 4.33Å; P395-D481 WeakPolarHBondContact CA-OD2 3.23Å; P395-D481 WeakPolarHBondContact CB-OD2 3.34Å
396	A	75.4	Confident	81.6	Confident	93 Å²	93	61.3 Å²	61.3	77%	0.769	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.7	174	0	0	0	0	0	112.5	S398 D481	A396-S398 VanDerWaalsContact C-N 3.32Å; A396-D481 PolarHBondContact N-OD2 3.42Å
397	S	74.7	Confident	81.5	Confident	83 Å²	83	61.9 Å²	61.9	58%	0.58	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.1	174.1	54	0	0	0	0	114.1	P395 S399	P395-S397 PolarHBondContact O-N 3.32Å; S397-S399 PolarHBondContact O-N 3.07Å
398	S	79.1	Confident	81.5	Confident	28 Å²	28	62.9 Å²	62.9	20%	0.196	36%	0.364	C	S	.	.			trans	-73.1	122.4	-177.5	-165.8	0	0	0	0	110.7	P395 A396 F400 D450	P395-S398 VanDerWaalsContact O-CB 3.27Å; P395-S398 WeakPolarHBondContact O-CB 3.21Å; P395-S398 PolarHBondContact O-N 3.03Å; A396-S398 VanDerWaalsContact C-N 3.32Å; S398-F400 PolarHBondContact O-N 3.42Å; S398-D450 VanDerWaalsContact CB-OD1 3.31Å; S398-D450 WeakPolarHBondContact CB-OD1 3.31Å; S398-D450 PolarHBondContact OG-OD1 3.48Å; S398-D450 PolarHBondContact OG-OD2 3.23Å; S398-D450 VanDerWaalsContact OG-OD2 3.12Å
399	S	78.5	Confident	81.2	Confident	109 Å²	109	70.5 Å²	70.5	76%	0.762	40%	0.397	S	S	*	.			trans	-86	16.8	175.3	69.9	0	0	0	0	113	S397 M401	S397-S399 PolarHBondContact O-N 3.07Å; S399-M401 PolarHBondContact O-N 2.67Å
400	F	82.1	Confident	81	Confident	36 Å²	36	72.5 Å²	72.5	16%	0.158	41%	0.406	C	S	.	.			trans	-68.2	129	-171.9	179.1	-104.5	0	0	0	111.9	R384 E385 L394 S398 R402	R384-F400 HydrophobicContact CB-CB 4.47Å; R384-F400 HydrophobicContact CB-CD1 3.87Å; R384-F400 HydrophobicContact CB-CD2 3.56Å; R384-F400 HydrophobicContact CB-CE1 3.94Å; R384-F400 HydrophobicContact CB-CE2 3.64Å; R384-F400 HydrophobicContact CB-CG 3.68Å; R384-F400 HydrophobicContact CB-CZ 3.82Å; R384-F400 HydrophobicContact CG-CD2 4.35Å; R384-F400 WeakPolarHBondContact O-CE1 3.18Å; E385-F400 HydrophobicContact CB-CZ 4.38Å; E385-F400 HydrophobicContact CG-CZ 3.77Å; L394-F400 HydrophobicContact CD1-CD1 4.19Å; S398-F400 PolarHBondContact O-N 3.42Å; F400-R402 HydrophobicContact CE1-CG 4.16Å
401	M	79.6	Confident	80.6	Confident	164 Å²	164	74.9 Å²	74.9	81%	0.808	43%	0.427	S	S	*	.			trans	-119.6	134.5	169.8	-68.3	-171.1	-68	0	0	108.6	S399	S399-M401 PolarHBondContact O-N 2.67Å
402	R	83.1	Confident	80.7	Confident	101 Å²	101	73.6 Å²	73.6	38%	0.381	42%	0.416	S	S	.	.			trans	-58.2	147.2	177.2	-64.5	-172.2	-175.4	167.4	4.1	111	E385 S388 F400 F410 A411	E385-R402 WeakPolarHBondContact OE1-CA 3.42Å; E385-R402 WeakPolarHBondContact OE2-CG 3.41Å; S388-R402 PolarHBondContact O-NH2 3.45Å; S388-R402 PolarHBondContact OG-NE 2.85Å; F400-R402 HydrophobicContact CE1-CG 4.16Å; R402-F410 PolarHBondContact NH1-O 3.06Å; R402-F410 VanDerWaalsContact NH1-O 3.14Å; R402-A411 PolarHBondContact NH1-O 3.4Å; R402-A411 VanDerWaalsContact NH1-O 3.16Å; R402-A411 PolarHBondContact NH2-O 3.07Å
403	C	80.9	Confident	80.6	Confident	59 Å²	59	67.7 Å²	67.7	40%	0.399	39%	0.385	S	S	.	.			trans	-55.7	142	-179.9	-74.1	0	0	0	0	112.1	E385 P405 P406 L407	E385-C403 WeakPolarHBondContact OE1-CB 3.27Å; E385-C403 PolarHBondContact OE1-N 2.84Å; E385-C403 PolarHBondContact OE1-SG 3.45Å; C403-P405 CarbonylContact C-O 3.53Å; C403-P405 CarbonylContact O-C 3.58Å; C403-P406 WeakPolarHBondContact O-CA 3.46Å; C403-L407 HydrophobicContact CB-CD1 4.32Å; C403-L407 HydrophobicContact CB-CG 4.19Å
404	H	77.2	Confident	80.3	Confident	174 Å²	174	71.7 Å²	71.7	81%	0.806	41%	0.407	S	S	*	.	S	Bend	trans	-121.6	127.1	172.8	-167.8	74.8	0	0	0	110.6
405	P	81.9	Confident	80.2	Confident	66 Å²	66	75.3 Å²	75.3	43%	0.429	42%	0.422	S	S	.	.	S	Bend	cis	-60.2	156.9	-8.5	-19.8	27.1	0	0	0	113.8	R354 C403	R354-P405 VanDerWaalsContact NH2-CD 3.3Å; R354-P405 PolarHBondContact NH2-O 2.95Å; C403-P405 CarbonylContact C-O 3.53Å; C403-P405 CarbonylContact O-C 3.58Å
406	P	84.6	Confident	80.2	Confident	83 Å²	83	76.2 Å²	76.2	54%	0.539	43%	0.427	S	S	.	.			trans	-64.1	145.2	-174.4	26.7	-34.8	0	0	0	112.8	C403	C403-P406 WeakPolarHBondContact O-CA 3.46Å
407	L	86	Confident	80.3	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.058	39%	0.391	C	S	.	.	S	Bend	trans	-81.1	-22.8	175.5	-65.2	173.9	0	0	0	112.7	R354 Q357 Q358 F361 L381 E385 C403	R354-L407 HydrophobicContact CG-CD2 4.02Å; Q357-L407 HydrophobicContact CB-CD1 4.21Å; Q357-L407 HydrophobicContact CB-CD2 4.25Å; Q358-L407 HydrophobicContact CG-CD2 4.1Å; Q358-L407 WeakPolarHBondContact CG-O 3.36Å; F361-L407 HydrophobicContact CD2-CB 4.03Å; F361-L407 HydrophobicContact CE2-CB 4.03Å; F361-L407 HydrophobicContact CE2-CD1 4.15Å; L381-L407 HydrophobicContact CD1-CD1 4.01Å; E385-L407 HydrophobicContact CG-CD1 4.31Å; C403-L407 HydrophobicContact CB-CD1 4.32Å; C403-L407 HydrophobicContact CB-CG 4.19Å
408	H	86.1	Confident	80.6	Confident	21 Å²	21	76 Å²	76	10%	0.097	40%	0.401	C	S	.	.			trans	-151.8	163.1	-179.2	61.3	72.4	0	0	0	111	F361 L389 F410	F361-H408 HydrophobicContact CB-CB 3.77Å; F361-H408 HydrophobicContact CD1-CB 4.14Å; F361-H408 AromaticContact CD1-CD2 3.4Å; F361-H408 VanDerWaalsContact CD1-CD2 3.4Å; F361-H408 WeakPolarHBondContact CD1-CD2 3.37Å; F361-H408 AromaticContact CD1-CG 3.91Å; F361-H408 HydrophobicContact CD2-CB 4.33Å; F361-H408 AromaticContact CD2-CD2 3.74Å; F361-H408 AromaticContact CE1-CD2 3.34Å; F361-H408 WeakPolarHBondContact CE1-CD2 3.03Å; F361-H408 AromaticContact CE1-NE2 3.78Å; F361-H408 AromaticContact CE2-CD2 3.7Å; F361-H408 HydrophobicContact CG-CB 3.84Å; F361-H408 AromaticContact CG-CD2 3.62Å; F361-H408 AromaticContact CZ-CD2 3.51Å; F361-H408 AromaticContact CZ-NE2 3.96Å; L389-H408 VanDerWaalsContact CD2-CE1 3.47Å; L389-H408 WeakPolarHBondContact CD2-CE1 3.47Å; H408-F410 HydrophobicContact CB-CD2 3.77Å; H408-F410 HydrophobicContact CB-CE2 4.08Å; H408-F410 PolarHBondContact CE1-O 3.22Å; H408-F410 AromaticContact CG-CD2 3.84Å; H408-F410 AromaticContact ND1-CD2 3.83Å; H408-F410 PolarHBondContact ND1-N 3.4Å; H408-F410 PolarHBondContact ND1-O 3.09Å
409	E	81.5	Confident	80.4	Confident	182 Å²	182	77.5 Å²	77.5	85%	0.85	42%	0.421	S	S	*	.			trans	-89.2	-9.1	179.8	-60.9	-177.2	167.7	0	0	113.2	A411	E409-A411 PolarHBondContact O-N 3.06Å
410	F	81.9	Confident	80.7	Confident	43 Å²	43	75 Å²	75	19%	0.189	40%	0.399	C	S	.	.			trans	-67.2	121.4	-175.3	-45.2	-53.3	0	0	0	112.3	F361 L389 R402 H408 L416	F361-F410 HydrophobicContact CB-CE2 4.36Å; F361-F410 WeakPolarHBondContact O-CE2 3.25Å; L389-F410 HydrophobicContact CD2-CB 3.9Å; R402-F410 PolarHBondContact NH1-O 3.06Å; R402-F410 VanDerWaalsContact NH1-O 3.14Å; H408-F410 HydrophobicContact CB-CD2 3.77Å; H408-F410 HydrophobicContact CB-CE2 4.08Å; H408-F410 PolarHBondContact CE1-O 3.22Å; H408-F410 AromaticContact CG-CD2 3.84Å; H408-F410 AromaticContact ND1-CD2 3.83Å; H408-F410 PolarHBondContact ND1-N 3.4Å; H408-F410 PolarHBondContact ND1-O 3.09Å; F410-L416 HydrophobicContact CD1-CD1 3.42Å; F410-L416 VanDerWaalsContact CD1-CD1 3.42Å; F410-L416 HydrophobicContact CD2-CD1 3.77Å; F410-L416 HydrophobicContact CE1-CD1 3.38Å; F410-L416 HydrophobicContact CE2-CD1 3.72Å; F410-L416 HydrophobicContact CG-CD1 3.62Å; F410-L416 HydrophobicContact CZ-CD1 3.53Å
411	A	75.9	Confident	80.8	Confident	59 Å²	59	81.4 Å²	81.4	49%	0.488	43%	0.43	S	S	.	.			trans	-74.3	-53.1	173	0	0	0	0	0	111	R402 E409	R402-A411 PolarHBondContact NH1-O 3.4Å; R402-A411 VanDerWaalsContact NH1-O 3.16Å; R402-A411 PolarHBondContact NH2-O 3.07Å; E409-A411 PolarHBondContact O-N 3.06Å
412	D	80.4	Confident	81	Confident	48 Å²	48	78.8 Å²	78.8	26%	0.257	42%	0.415	S	S	.	.	S	Bend	trans	-148.6	173.4	178.8	70.5	-14.6	0	0	0	111.5	L389 N414 H415 L416	L389-D412 CarbonylContact O-C 3.6Å; D412-N414 PolarHBondContact O-N 3.3Å; D412-N414 PolarHBondContact OD1-N 3.05Å; D412-N414 WeakPolarHBondContact OD2-CB 3.42Å; D412-N414 PolarHBondContact OD2-ND2 3.2Å; D412-N414 VanDerWaalsContact OD2-ND2 3.15Å; D412-H415 PolarHBondContact O-N 3.23Å; D412-H415 WeakPolarHBondContact OD1-CB 3.37Å; D412-H415 PolarHBondContact OD1-N 2.95Å; D412-L416 PolarHBondContact O-N 3.02Å
413	L	79.6	Confident	81.1	Confident	6 Å²	6	77.3 Å²	77.3	3%	0.031	41%	0.412	C	S	.	.	H	α-helix	trans	-63.7	-27.8	178.6	-155.8	82.8	0	0	0	112.9	F364 L389 Y390 L416 A417 V424 C427	F364-L413 HydrophobicContact CZ-CD1 4.49Å; L389-L413 PolarHBondContact O-N 3.09Å; Y390-L413 HydrophobicContact CD1-CD1 4.32Å; Y390-L413 HydrophobicContact CD1-CD2 3.84Å; Y390-L413 HydrophobicContact CE1-CD1 3.76Å; Y390-L413 HydrophobicContact CE1-CD2 3.58Å; Y390-L413 HydrophobicContact CE1-CG 4.28Å; Y390-L413 HydrophobicContact CE2-CD1 3.94Å; L413-L416 HydrophobicContact CD1-CD2 4.16Å; L413-L416 WeakPolarHBondContact O-CB 3.48Å; L413-L416 PolarHBondContact O-N 3.38Å; L413-A417 VanDerWaalsContact O-CB 3.25Å; L413-A417 WeakPolarHBondContact O-CB 3.26Å; L413-A417 PolarHBondContact O-N 3.41Å; L413-V424 HydrophobicContact CD2-CB 4Å; L413-V424 HydrophobicContact CD2-CG1 3.61Å; L413-V424 HydrophobicContact CD2-CG2 3.9Å; L413-V424 HydrophobicContact CG-CG2 4.41Å; L413-C427 HydrophobicContact CD1-CB 3.77Å; L413-C427 HydrophobicContact CD2-CB 4.34Å; L413-C427 HydrophobicContact CG-CB 4.45Å
414	N	76.6	Confident	81.3	Confident	91 Å²	91	75.6 Å²	75.6	49%	0.487	40%	0.4	S	S	.	.	H	α-helix	trans	-69.6	-39.3	178	-62.5	-45.2	0	0	0	111.3	D412 A417 Q418 G419	D412-N414 PolarHBondContact O-N 3.3Å; D412-N414 PolarHBondContact OD1-N 3.05Å; D412-N414 WeakPolarHBondContact OD2-CB 3.42Å; D412-N414 PolarHBondContact OD2-ND2 3.2Å; D412-N414 VanDerWaalsContact OD2-ND2 3.15Å; N414-A417 PolarHBondContact O-N 2.87Å; N414-Q418 WeakPolarHBondContact O-CA 3.43Å; N414-Q418 PolarHBondContact O-N 3.21Å; N414-G419 PolarHBondContact O-N 2.81Å
415	H	79.6	Confident	81.7	Confident	118 Å²	118	71 Å²	71	55%	0.546	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-41.9	171.7	-174.3	-93.8	0	0	0	111.5	D412	D412-H415 PolarHBondContact O-N 3.23Å; D412-H415 WeakPolarHBondContact OD1-CB 3.37Å; D412-H415 PolarHBondContact OD1-N 2.95Å
416	L	79.5	Confident	82	Confident	25 Å²	25	73.8 Å²	73.8	13%	0.131	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-46.9	175.9	-169.4	86.8	0	0	0	112.3	F364 F410 D412 L413 Q418	F364-L416 HydrophobicContact CD1-CD2 4.11Å; F364-L416 HydrophobicContact CE1-CD2 3.5Å; F364-L416 HydrophobicContact CZ-CD2 4.08Å; F410-L416 HydrophobicContact CD1-CD1 3.42Å; F410-L416 VanDerWaalsContact CD1-CD1 3.42Å; F410-L416 HydrophobicContact CD2-CD1 3.77Å; F410-L416 HydrophobicContact CE1-CD1 3.38Å; F410-L416 HydrophobicContact CE2-CD1 3.72Å; F410-L416 HydrophobicContact CG-CD1 3.62Å; F410-L416 HydrophobicContact CZ-CD1 3.53Å; D412-L416 PolarHBondContact O-N 3.02Å; L413-L416 HydrophobicContact CD1-CD2 4.16Å; L413-L416 WeakPolarHBondContact O-CB 3.48Å; L413-L416 PolarHBondContact O-N 3.38Å; L416-Q418 VanDerWaalsContact C-N 3.29Å; L416-Q418 PolarHBondContact O-N 3.43Å
417	A	78.4	Confident	82.1	Confident	2 Å²	2	69.9 Å²	69.9	2%	0.017	36%	0.357	C	S	.	.	H	α-helix	trans	-81.1	-9.1	-175.9	0	0	0	0	0	113.3	L413 N414 G419 D420 K423 V424	L413-A417 VanDerWaalsContact O-CB 3.25Å; L413-A417 WeakPolarHBondContact O-CB 3.26Å; L413-A417 PolarHBondContact O-N 3.41Å; N414-A417 PolarHBondContact O-N 2.87Å; A417-G419 PolarHBondContact O-N 3.33Å; A417-D420 VanDerWaalsContact O-CB 3.24Å; A417-D420 WeakPolarHBondContact O-CB 3.48Å; A417-D420 PolarHBondContact O-N 3.29Å; A417-K423 HydrophobicContact CB-CB 4.03Å; A417-V424 HydrophobicContact CB-CG2 3.52Å
418	Q	79.4	Confident	82.2	Confident	169 Å²	169	71.1 Å²	71.1	79%	0.79	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.7	-174.1	-58.9	175.3	-5.4	0	0	112.4	N414 L416	N414-Q418 WeakPolarHBondContact O-CA 3.43Å; N414-Q418 PolarHBondContact O-N 3.21Å; L416-Q418 VanDerWaalsContact C-N 3.29Å; L416-Q418 PolarHBondContact O-N 3.43Å
419	G	74.8	Confident	82.3	Confident	60 Å²	60	75.8 Å²	75.8	62%	0.619	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	2.3	-177.5	0	0	0	0	0	116.3	N414 A417 Q421	N414-G419 PolarHBondContact O-N 2.81Å; A417-G419 PolarHBondContact O-N 3.33Å; G419-Q421 PolarHBondContact O-N 3.19Å
420	D	86.1	Confident	82.8	Confident	58 Å²	58	67.8 Å²	67.8	31%	0.31	35%	0.345	S	S	.	.			trans	-79.7	113.3	178.6	-174.1	-15.8	0	0	0	112.3	A417 E422 K423 V424	A417-D420 VanDerWaalsContact O-CB 3.24Å; A417-D420 WeakPolarHBondContact O-CB 3.48Å; A417-D420 PolarHBondContact O-N 3.29Å; D420-E422 VanDerWaalsContact C-N 3.3Å; D420-E422 PolarHBondContact O-N 3.47Å; D420-E422 WeakPolarHBondContact OD1-CB 3.43Å; D420-E422 PolarHBondContact OD1-N 3.36Å; D420-K423 HydrophobicContact CB-CB 4.2Å; D420-K423 HydrophobicContact CB-CD 3.94Å; D420-K423 HydrophobicContact CB-CG 4.09Å; D420-K423 PolarHBondContact O-N 3.15Å; D420-K423 VanDerWaalsContact OD2-CE 3.22Å; D420-K423 WeakPolarHBondContact OD2-CE 3.24Å; D420-K423 WeakPolarHBondContact OD2-CG 3.45Å; D420-K423 IonicContact OD2-NZ 3.83Å; D420-V424 WeakPolarHBondContact O-CG2 3.37Å; D420-V424 PolarHBondContact O-N 3.33Å; D420-V424 VanDerWaalsContact O-N 3.15Å
421	Q	83	Confident	83.1	Confident	170 Å²	170	65.8 Å²	65.8	79%	0.794	34%	0.336	S	S	*	.	H	α-helix	trans	-65.5	-29	-179.4	-68.1	-170.9	-10.7	0	0	113.4	G419 V424 L425	G419-Q421 PolarHBondContact O-N 3.19Å; Q421-V424 PolarHBondContact O-N 2.94Å; Q421-L425 PolarHBondContact O-N 3.38Å
422	E	84.8	Confident	83.8	Confident	109 Å²	109	63.7 Å²	63.7	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-71.1	-41.8	179.7	-160	-162.3	151.5	0	0	110.6	D420 V424 L425 R426	D420-E422 VanDerWaalsContact C-N 3.3Å; D420-E422 PolarHBondContact O-N 3.47Å; D420-E422 WeakPolarHBondContact OD1-CB 3.43Å; D420-E422 PolarHBondContact OD1-N 3.36Å; E422-V424 VanDerWaalsContact C-N 3.34Å; E422-V424 PolarHBondContact O-N 2.8Å; E422-L425 PolarHBondContact O-N 2.95Å; E422-R426 WeakPolarHBondContact O-CG 3.45Å; E422-R426 PolarHBondContact O-N 3.14Å; E422-R426 IonicContact OE1-CZ 2.65Å; E422-R426 VanDerWaalsContact OE1-CZ 3.3Å; E422-R426 IonicContact OE1-NE 2.97Å; E422-R426 PolarHBondContact OE1-NE 3.38Å; E422-R426 IonicContact OE1-NH2 2.65Å; E422-R426 PolarHBondContact OE1-NH2 2.85Å
423	K	85.2	Confident	84.3	Confident	69 Å²	69	64.1 Å²	64.1	30%	0.3	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-40.9	174.4	-68.4	179.3	-168.3	164.6	0	111.5	L367 A417 D420 L425 R426 C427	L367-K423 HydrophobicContact CD1-CD 4.25Å; L367-K423 HydrophobicContact CD1-CG 4.08Å; A417-K423 HydrophobicContact CB-CB 4.03Å; D420-K423 HydrophobicContact CB-CB 4.2Å; D420-K423 HydrophobicContact CB-CD 3.94Å; D420-K423 HydrophobicContact CB-CG 4.09Å; D420-K423 PolarHBondContact O-N 3.15Å; D420-K423 VanDerWaalsContact OD2-CE 3.22Å; D420-K423 WeakPolarHBondContact OD2-CE 3.24Å; D420-K423 WeakPolarHBondContact OD2-CG 3.45Å; D420-K423 IonicContact OD2-NZ 3.83Å; K423-L425 VanDerWaalsContact C-N 3.35Å; K423-L425 PolarHBondContact O-N 3.04Å; K423-R426 PolarHBondContact O-N 2.91Å; K423-C427 PolarHBondContact O-N 3.36Å; K423-C427 PolarHBondContact O-SG 2.57Å
424	V	85.2	Confident	84.7	Confident	24 Å²	24	64.1 Å²	64.1	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-57.7	-47.5	173.5	165	0	0	0	0	110.9	L413 A417 D420 Q421 E422 R426 C427 K428	L413-V424 HydrophobicContact CD2-CB 4Å; L413-V424 HydrophobicContact CD2-CG1 3.61Å; L413-V424 HydrophobicContact CD2-CG2 3.9Å; L413-V424 HydrophobicContact CG-CG2 4.41Å; A417-V424 HydrophobicContact CB-CG2 3.52Å; D420-V424 WeakPolarHBondContact O-CG2 3.37Å; D420-V424 PolarHBondContact O-N 3.33Å; D420-V424 VanDerWaalsContact O-N 3.15Å; Q421-V424 PolarHBondContact O-N 2.94Å; E422-V424 VanDerWaalsContact C-N 3.34Å; E422-V424 PolarHBondContact O-N 2.8Å; V424-R426 PolarHBondContact O-N 2.68Å; V424-C427 PolarHBondContact O-N 2.94Å; V424-K428 HydrophobicContact CG1-CD 4.37Å; V424-K428 WeakPolarHBondContact O-CG 3.46Å; V424-K428 PolarHBondContact O-N 2.9Å
425	L	85.8	Confident	85.3	Confident	78 Å²	78	59.8 Å²	59.8	41%	0.408	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-42.9	178.8	-174.4	66.8	0	0	0	111.9	Q421 E422 K423 C427 K428 K429	Q421-L425 PolarHBondContact O-N 3.38Å; E422-L425 PolarHBondContact O-N 2.95Å; K423-L425 VanDerWaalsContact C-N 3.35Å; K423-L425 PolarHBondContact O-N 3.04Å; L425-C427 VanDerWaalsContact C-N 3.34Å; L425-C427 PolarHBondContact O-N 2.91Å; L425-K428 PolarHBondContact O-N 2.89Å; L425-K429 WeakPolarHBondContact O-CG 3.07Å; L425-K429 PolarHBondContact O-N 2.84Å
426	R	87.2	Confident	85.5	Confident	124 Å²	124	55.8 Å²	55.8	47%	0.468	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-42.9	175.6	-70.8	178.5	-175	-159.4	3.6	111.8	F369 E422 K423 V424 K429 F430	F369-R426 HydrophobicContact CE2-CB 4.01Å; F369-R426 HydrophobicContact CZ-CB 4.19Å; E422-R426 WeakPolarHBondContact O-CG 3.45Å; E422-R426 PolarHBondContact O-N 3.14Å; E422-R426 IonicContact OE1-CZ 2.65Å; E422-R426 VanDerWaalsContact OE1-CZ 3.3Å; E422-R426 IonicContact OE1-NE 2.97Å; E422-R426 PolarHBondContact OE1-NE 3.38Å; E422-R426 IonicContact OE1-NH2 2.65Å; E422-R426 PolarHBondContact OE1-NH2 2.85Å; K423-R426 PolarHBondContact O-N 2.91Å; V424-R426 PolarHBondContact O-N 2.68Å; R426-K429 PolarHBondContact O-N 3.32Å; R426-F430 PolarHBondContact O-N 3.46Å
427	C	87.7	Confident	85.8	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-40	175.1	-63	0	0	0	0	111.8	F364 Y390 L413 K423 V424 L425 F430 L431	F364-C427 HydrophobicContact CE2-CB 4.44Å; F364-C427 HydrophobicContact CZ-CB 4.1Å; Y390-C427 WeakPolarHBondContact OH-CB 3.25Å; Y390-C427 PolarHBondContact OH-O 2.78Å; L413-C427 HydrophobicContact CD1-CB 3.77Å; L413-C427 HydrophobicContact CD2-CB 4.34Å; L413-C427 HydrophobicContact CG-CB 4.45Å; K423-C427 PolarHBondContact O-N 3.36Å; K423-C427 PolarHBondContact O-SG 2.57Å; V424-C427 PolarHBondContact O-N 2.94Å; L425-C427 VanDerWaalsContact C-N 3.34Å; L425-C427 PolarHBondContact O-N 2.91Å; C427-F430 WeakPolarHBondContact O-CB 3.48Å; C427-F430 PolarHBondContact O-N 2.69Å; C427-L431 PolarHBondContact O-N 3.45Å
428	K	87.6	Confident	86	Confident	36 Å²	36	58.4 Å²	58.4	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-41.8	175	-70.5	-177.4	179.6	-167.6	0	111.9	Y390 V424 L425 F430 L431 I432 L458 E461	Y390-K428 HydrophobicContact CD1-CG 4.07Å; Y390-K428 HydrophobicContact CE1-CB 4.38Å; Y390-K428 HydrophobicContact CE1-CG 3.64Å; V424-K428 HydrophobicContact CG1-CD 4.37Å; V424-K428 WeakPolarHBondContact O-CG 3.46Å; V424-K428 PolarHBondContact O-N 2.9Å; L425-K428 PolarHBondContact O-N 2.89Å; K428-F430 VanDerWaalsContact C-N 3.34Å; K428-F430 PolarHBondContact O-N 3.42Å; K428-L431 PolarHBondContact O-N 3.17Å; K428-I432 WeakPolarHBondContact O-CG1 3.25Å; K428-I432 PolarHBondContact O-N 2.95Å; K428-L458 HydrophobicContact CB-CD2 4.34Å; K428-L458 HydrophobicContact CD-CD2 4.34Å; K428-L458 HydrophobicContact CG-CD2 4.2Å; K428-E461 IonicContact NZ-OE1 3.91Å; K428-E461 PolarHBondContact NZ-OE1 3.35Å; K428-E461 IonicContact NZ-OE2 2.72Å; K428-E461 PolarHBondContact NZ-OE2 2.97Å
429	K	88.9	Confident	86.1	Confident	120 Å²	120	52.5 Å²	52.5	52%	0.522	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-42	174.5	-74.1	-179.3	178.4	-176.8	0	112.1	L425 R426 I432 S433	L425-K429 WeakPolarHBondContact O-CG 3.07Å; L425-K429 PolarHBondContact O-N 2.84Å; R426-K429 PolarHBondContact O-N 3.32Å; K429-I432 PolarHBondContact O-N 2.98Å; K429-S433 PolarHBondContact O-N 2.7Å; K429-S433 VanDerWaalsContact O-N 3.07Å
430	F	90.9	Very high	86.1	Confident	14 Å²	14	54.5 Å²	54.5	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-49	172.5	169.2	-100.9	0	0	0	111.7	F364 F369 K373 F376 R426 C427 K428 I432 S433 Y434	F364-F430 AromaticContact CD2-CD1 3.8Å; F364-F430 HydrophobicContact CD2-CD1 3.8Å; F364-F430 AromaticContact CD2-CE1 3.66Å; F364-F430 HydrophobicContact CD2-CE1 3.66Å; F364-F430 HydrophobicContact CD2-CZ 4.36Å; F364-F430 AromaticContact CE2-CD1 3.43Å; F364-F430 HydrophobicContact CE2-CD1 3.43Å; F364-F430 VanDerWaalsContact CE2-CD1 3.43Å; F364-F430 AromaticContact CE2-CE1 3.7Å; F364-F430 HydrophobicContact CE2-CE1 3.7Å; F364-F430 HydrophobicContact CE2-CG 4.3Å; F369-F430 HydrophobicContact CB-CD2 3.49Å; F369-F430 VanDerWaalsContact CB-CD2 3.49Å; F369-F430 HydrophobicContact CB-CE2 3.9Å; F369-F430 HydrophobicContact CB-CG 4.25Å; F369-F430 HydrophobicContact CD1-CB 3.61Å; F369-F430 HydrophobicContact CD1-CD1 4.02Å; F369-F430 AromaticContact CD1-CD2 3.55Å; F369-F430 HydrophobicContact CD1-CD2 3.55Å; F369-F430 HydrophobicContact CD1-CE2 4.13Å; F369-F430 AromaticContact CD1-CG 3.42Å; F369-F430 HydrophobicContact CD1-CG 3.42Å; F369-F430 VanDerWaalsContact CD1-CG 3.42Å; F369-F430 HydrophobicContact CD2-CB 4.49Å; F369-F430 HydrophobicContact CE1-CB 3.85Å; F369-F430 HydrophobicContact CE1-CD1 4.41Å; F369-F430 HydrophobicContact CE1-CG 4.01Å; F369-F430 HydrophobicContact CG-CB 3.97Å; F369-F430 AromaticContact CG-CD2 3.73Å; F369-F430 HydrophobicContact CG-CD2 3.73Å; F369-F430 HydrophobicContact CG-CE2 4.41Å; F369-F430 AromaticContact CG-CG 3.96Å; F369-F430 HydrophobicContact CG-CG 3.96Å; F369-F430 HydrophobicContact CZ-CB 4.38Å; F369-F430 VanDerWaalsContact O-CE2 3.3Å; F369-F430 WeakPolarHBondContact O-CE2 3.24Å; K373-F430 HydrophobicContact CB-CE2 4.02Å; K373-F430 HydrophobicContact CB-CZ 4.43Å; F376-F430 HydrophobicContact CD2-CZ 4.1Å; F376-F430 HydrophobicContact CE2-CE1 4.14Å; F376-F430 AromaticContact CE2-CZ 3.97Å; F376-F430 HydrophobicContact CE2-CZ 3.97Å; R426-F430 PolarHBondContact O-N 3.46Å; C427-F430 WeakPolarHBondContact O-CB 3.48Å; C427-F430 PolarHBondContact O-N 2.69Å; K428-F430 VanDerWaalsContact C-N 3.34Å; K428-F430 PolarHBondContact O-N 3.42Å; F430-I432 VanDerWaalsContact C-N 3.34Å; F430-I432 PolarHBondContact O-N 3.42Å; F430-S433 PolarHBondContact O-N 3.4Å; F430-Y434 WeakPolarHBondContact O-CB 3.48Å; F430-Y434 PolarHBondContact O-N 3.36Å
431	L	89.7	Confident	85.5	Confident	1 Å²	1	54 Å²	54	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-45	180	-176.2	64.3	0	0	0	111	L386 Y390 L393 C427 K428 S433 Y434 L435 L458	L386-L431 HydrophobicContact CB-CD1 4.25Å; Y390-L431 HydrophobicContact CD1-CD2 4.21Å; Y390-L431 HydrophobicContact CD2-CD2 3.64Å; Y390-L431 HydrophobicContact CE1-CD2 4.03Å; Y390-L431 HydrophobicContact CE2-CB 4.39Å; Y390-L431 HydrophobicContact CE2-CD2 3.49Å; Y390-L431 VanDerWaalsContact CE2-CD2 3.49Å; Y390-L431 HydrophobicContact CE2-CG 4.35Å; Y390-L431 HydrophobicContact CG-CD2 4.02Å; L393-L431 HydrophobicContact CD1-CD2 3.96Å; C427-L431 PolarHBondContact O-N 3.45Å; K428-L431 PolarHBondContact O-N 3.17Å; L431-S433 PolarHBondContact O-N 3.24Å; L431-Y434 PolarHBondContact O-N 3.33Å; L431-L435 HydrophobicContact CD1-CD1 3.86Å; L431-L435 HydrophobicContact CD1-CD2 4.01Å; L431-L435 HydrophobicContact CD1-CG 3.7Å; L431-L435 HydrophobicContact CD2-CD1 4.26Å; L431-L435 HydrophobicContact CG-CD1 3.72Å; L431-L435 HydrophobicContact CG-CG 3.95Å; L431-L435 VanDerWaalsContact O-CB 3.31Å; L431-L435 WeakPolarHBondContact O-CB 3.39Å; L431-L435 WeakPolarHBondContact O-CG 3.39Å; L431-L435 PolarHBondContact O-N 2.94Å; L431-L458 HydrophobicContact CB-CD1 4.48Å; L431-L458 HydrophobicContact CD2-CD1 3.61Å; L431-L458 HydrophobicContact CG-CD1 3.94Å
432	I	90.1	Very high	84.6	Confident	14 Å²	14	52.4 Å²	52.4	7%	0.072	27%	0.273	C	S	.	.	H	α-helix	trans	-53.7	-51.7	173.9	-76.2	166.7	0	0	0	111.4	K428 K429 F430 Y434 G436 L458 Y459 Q462	K428-I432 WeakPolarHBondContact O-CG1 3.25Å; K428-I432 PolarHBondContact O-N 2.95Å; K429-I432 PolarHBondContact O-N 2.98Å; F430-I432 VanDerWaalsContact C-N 3.34Å; F430-I432 PolarHBondContact O-N 3.42Å; I432-Y434 PolarHBondContact O-N 3.48Å; I432-G436 PolarHBondContact O-N 3.24Å; I432-L458 HydrophobicContact CD1-CB 4.19Å; I432-L458 HydrophobicContact CG1-CB 3.93Å; I432-L458 HydrophobicContact CG1-CD1 4.12Å; I432-Y459 HydrophobicContact CB-CE1 4.47Å; I432-Y459 HydrophobicContact CD1-CD1 4.47Å; I432-Y459 HydrophobicContact CG1-CD1 4.39Å; I432-Y459 HydrophobicContact CG1-CE1 4.22Å; I432-Y459 HydrophobicContact CG2-CD1 4.44Å; I432-Y459 HydrophobicContact CG2-CE1 3.64Å; I432-Q462 HydrophobicContact CD1-CG 4.39Å; I432-Q462 VanDerWaalsContact CD1-OE1 3.28Å
433	S	89.9	Confident	83.4	Confident	58 Å²	58	51.2 Å²	51.2	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-41.1	-179.6	173.4	0	0	0	0	112.2	K429 F430 L431 E437	K429-S433 PolarHBondContact O-N 2.7Å; K429-S433 VanDerWaalsContact O-N 3.07Å; F430-S433 PolarHBondContact O-N 3.4Å; L431-S433 PolarHBondContact O-N 3.24Å; S433-E437 PolarHBondContact O-N 3.28Å
434	Y	89.1	Confident	82.2	Confident	6 Å²	6	48.2 Å²	48.2	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-49.4	-179.4	-177.3	-110.8	0	0	0	111.9	K373 F376 R377 V383 L386 F430 L431 I432 G436 E437 V438	K373-Y434 HydrophobicContact CD-CD2 4.49Å; K373-Y434 HydrophobicContact CG-CD2 3.96Å; K373-Y434 HydrophobicContact CG-CE2 4.35Å; F376-Y434 HydrophobicContact CB-CE2 4.03Å; F376-Y434 WeakPolarHBondContact CB-OH 3.47Å; R377-Y434 HydrophobicContact CG-CE2 4.31Å; V383-Y434 HydrophobicContact CG1-CE1 4.4Å; V383-Y434 HydrophobicContact CG2-CE1 4.32Å; L386-Y434 HydrophobicContact CD1-CD1 3.84Å; L386-Y434 HydrophobicContact CD1-CE1 3.63Å; F430-Y434 WeakPolarHBondContact O-CB 3.48Å; F430-Y434 PolarHBondContact O-N 3.36Å; L431-Y434 PolarHBondContact O-N 3.33Å; I432-Y434 PolarHBondContact O-N 3.48Å; Y434-G436 PolarHBondContact O-N 2.82Å; Y434-E437 PolarHBondContact O-N 3.41Å; Y434-V438 HydrophobicContact CD1-CG2 4.33Å; Y434-V438 HydrophobicContact CD2-CG2 4.11Å; Y434-V438 HydrophobicContact CE1-CG2 3.99Å; Y434-V438 HydrophobicContact CE2-CG2 3.76Å; Y434-V438 HydrophobicContact CG-CG2 4.39Å; Y434-V438 WeakPolarHBondContact O-CB 3.45Å; Y434-V438 VanDerWaalsContact O-CG2 3.24Å; Y434-V438 WeakPolarHBondContact O-CG2 3.39Å; Y434-V438 PolarHBondContact O-N 2.85Å
435	L	87.8	Confident	81	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-41.1	178.6	-67.6	-175	0	0	0	112	V383 I387 L431 E437 V438 R439 V451 A454 L455 L458	V383-L435 HydrophobicContact CB-CD2 4.48Å; V383-L435 HydrophobicContact CG1-CD2 3Å; V383-L435 HydrophobicContact CG1-CG 4.48Å; I387-L435 HydrophobicContact CD1-CD2 4.21Å; I387-L435 HydrophobicContact CG1-CD1 4.45Å; I387-L435 HydrophobicContact CG1-CD2 4.28Å; L431-L435 HydrophobicContact CD1-CD1 3.86Å; L431-L435 HydrophobicContact CD1-CD2 4.01Å; L431-L435 HydrophobicContact CD1-CG 3.7Å; L431-L435 HydrophobicContact CD2-CD1 4.26Å; L431-L435 HydrophobicContact CG-CD1 3.72Å; L431-L435 HydrophobicContact CG-CG 3.95Å; L431-L435 VanDerWaalsContact O-CB 3.31Å; L431-L435 WeakPolarHBondContact O-CB 3.39Å; L431-L435 WeakPolarHBondContact O-CG 3.39Å; L431-L435 PolarHBondContact O-N 2.94Å; L435-E437 VanDerWaalsContact C-N 3.33Å; L435-E437 PolarHBondContact O-N 3.43Å; L435-V438 PolarHBondContact O-N 3.21Å; L435-R439 WeakPolarHBondContact O-CB 3.26Å; L435-R439 PolarHBondContact O-N 3.27Å; L435-V451 HydrophobicContact CB-CG1 4.4Å; L435-V451 HydrophobicContact CD2-CG1 4.26Å; L435-A454 HydrophobicContact CD1-CB 4.31Å; L435-L455 HydrophobicContact CB-CD1 4.09Å; L435-L455 HydrophobicContact CB-CD2 3.47Å; L435-L455 VanDerWaalsContact CB-CD2 3.47Å; L435-L455 HydrophobicContact CB-CG 3.77Å; L435-L455 HydrophobicContact CD1-CD2 3.94Å; L435-L455 HydrophobicContact CD1-CG 3.98Å; L435-L455 HydrophobicContact CG-CD2 4.32Å; L435-L458 HydrophobicContact CD1-CD1 4.23Å
436	G	85.6	Confident	80	Confident	34 Å²	34	52.9 Å²	52.9	35%	0.351	30%	0.302	S	S	.	.	H	α-helix	trans	-60.8	-39.6	178.1	0	0	0	0	0	113	I432 Y434	I432-G436 PolarHBondContact O-N 3.24Å; Y434-G436 PolarHBondContact O-N 2.82Å
437	E	84.4	Confident	79.4	Confident	73 Å²	73	47.6 Å²	47.6	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-74.1	-42.6	175.5	-76.1	-179.3	-156.3	0	0	112.6	K373 R377 S433 Y434 L435 R439 S440	K373-E437 WeakPolarHBondContact CE-OE2 3.24Å; K373-E437 IonicContact NZ-OE1 3.82Å; K373-E437 PolarHBondContact NZ-OE1 2.87Å; K373-E437 IonicContact NZ-OE2 2.84Å; K373-E437 PolarHBondContact NZ-OE2 3.39Å; R377-E437 IonicContact NH1-OE2 3.26Å; R377-E437 PolarHBondContact NH1-OE2 2.79Å; S433-E437 PolarHBondContact O-N 3.28Å; Y434-E437 PolarHBondContact O-N 3.41Å; L435-E437 VanDerWaalsContact C-N 3.33Å; L435-E437 PolarHBondContact O-N 3.43Å; E437-R439 VanDerWaalsContact C-N 3.26Å; E437-R439 PolarHBondContact O-N 3.45Å; E437-S440 PolarHBondContact O-N 2.93Å; E437-S440 VanDerWaalsContact O-N 3.14Å; E437-S440 PolarHBondContact O-OG 3.11Å
438	V	83.7	Confident	79.1	Confident	9 Å²	9	51 Å²	51	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-29.2	-178.6	174.6	0	0	0	0	111.2	V383 Y434 L435 S440 T441 V444	V383-V438 HydrophobicContact CG2-CG1 3.64Å; Y434-V438 HydrophobicContact CD1-CG2 4.33Å; Y434-V438 HydrophobicContact CD2-CG2 4.11Å; Y434-V438 HydrophobicContact CE1-CG2 3.99Å; Y434-V438 HydrophobicContact CE2-CG2 3.76Å; Y434-V438 HydrophobicContact CG-CG2 4.39Å; Y434-V438 WeakPolarHBondContact O-CB 3.45Å; Y434-V438 VanDerWaalsContact O-CG2 3.24Å; Y434-V438 WeakPolarHBondContact O-CG2 3.39Å; Y434-V438 PolarHBondContact O-N 2.85Å; L435-V438 PolarHBondContact O-N 3.21Å; V438-S440 PolarHBondContact O-N 3.24Å; V438-T441 PolarHBondContact O-N 2.93Å; V438-T441 PolarHBondContact O-OG1 3.36Å; V438-V444 HydrophobicContact CG1-CG2 3.4Å; V438-V444 VanDerWaalsContact CG1-CG2 3.4Å; V438-V444 WeakPolarHBondContact O-CG2 3.39Å
439	R	80.7	Confident	79	Confident	45 Å²	45	53.5 Å²	53.5	17%	0.17	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.2	172.2	180	175.9	165.6	75.3	-6.2	113.4	L435 E437 D452 S473 D474	L435-R439 WeakPolarHBondContact O-CB 3.26Å; L435-R439 PolarHBondContact O-N 3.27Å; E437-R439 VanDerWaalsContact C-N 3.26Å; E437-R439 PolarHBondContact O-N 3.45Å; R439-D452 IonicContact CZ-OD1 3.09Å; R439-D452 IonicContact CZ-OD2 3.51Å; R439-D452 IonicContact NH1-OD1 3.82Å; R439-D452 PolarHBondContact NH1-OD1 2.74Å; R439-D452 IonicContact NH1-OD2 2.78Å; R439-D452 PolarHBondContact NH1-OD2 2.7Å; R439-S473 PolarHBondContact NH2-OG 3.42Å; R439-D474 PolarHBondContact NH2-O 3.37Å
440	S	74.9	Confident	78.8	Confident	102 Å²	102	48.4 Å²	48.4	71%	0.713	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-8.5	178.7	71.2	0	0	0	0	114.7	E437 V438	E437-S440 PolarHBondContact O-N 2.93Å; E437-S440 VanDerWaalsContact O-N 3.14Å; E437-S440 PolarHBondContact O-OG 3.11Å; V438-S440 PolarHBondContact O-N 3.24Å
441	T	74.6	Confident	78.6	Confident	46 Å²	46	47.7 Å²	47.7	28%	0.282	29%	0.287	S	S	.	.	S	Bend	trans	-101.8	149.3	-176.9	60.4	0	0	0	0	111.8	V438 V443 V444	V438-T441 PolarHBondContact O-N 2.93Å; V438-T441 PolarHBondContact O-OG1 3.36Å; T441-V443 PolarHBondContact O-N 3.21Å; T441-V444 PolarHBondContact O-N 3.19Å
442	D	62.8	Low	78.5	Confident	138 Å²	138	47.7 Å²	47.7	74%	0.738	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-63.1	-6.7	179.9	-64.7	-44.8	0	0	0	114.4	V444 N445	D442-V444 PolarHBondContact O-N 3.28Å; D442-N445 WeakPolarHBondContact O-CB 3.3Å; D442-N445 PolarHBondContact O-N 3.25Å; D442-N445 PolarHBondContact O-ND2 3.13Å; D442-N445 VanDerWaalsContact O-ND2 3.11Å
443	V	60.1	Low	78.4	Confident	83 Å²	83	47 Å²	47	50%	0.503	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65.5	-20.1	179.7	-174	0	0	0	0	111.8	T441	T441-V443 PolarHBondContact O-N 3.21Å
444	V	60.5	Low	78.3	Confident	6 Å²	6	44.3 Å²	44.3	4%	0.036	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-91.3	4.5	-176.5	-163.7	0	0	0	0	113	V438 T441 D442 G446 C447 R448 V451	V438-V444 HydrophobicContact CG1-CG2 3.4Å; V438-V444 VanDerWaalsContact CG1-CG2 3.4Å; V438-V444 WeakPolarHBondContact O-CG2 3.39Å; T441-V444 PolarHBondContact O-N 3.19Å; D442-V444 PolarHBondContact O-N 3.28Å; V444-G446 PolarHBondContact O-N 3.06Å; V444-C447 PolarHBondContact O-N 2.99Å; V444-R448 HydrophobicContact CB-CG 4.4Å; V444-R448 HydrophobicContact CG1-CB 4.38Å; V444-R448 HydrophobicContact CG1-CG 3.77Å; V444-V451 HydrophobicContact CG1-CB 4.35Å; V444-V451 HydrophobicContact CG1-CG2 3.94Å
445	N	58.3	Low	78.3	Confident	128 Å²	128	44 Å²	44	68%	0.684	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	79.5	179	-74.9	-28.9	0	0	0	111.2	D442	D442-N445 WeakPolarHBondContact O-CB 3.3Å; D442-N445 PolarHBondContact O-N 3.25Å; D442-N445 PolarHBondContact O-ND2 3.13Å; D442-N445 VanDerWaalsContact O-ND2 3.11Å
446	G	65.4	Low	78.3	Confident	73 Å²	73	44 Å²	44	75%	0.753	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	143.6	-12.9	-177.8	0	0	0	0	0	115.5	V444	V444-G446 PolarHBondContact O-N 3.06Å
447	C	75.2	Confident	78.4	Confident	12 Å²	12	42.8 Å²	42.8	8%	0.081	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	22.7	-179.4	59.7	0	0	0	0	114.2	R384 V444 D449 D450 V451	R384-C447 HydrophobicContact CG-CB 4.27Å; V444-C447 PolarHBondContact O-N 2.99Å; C447-D449 VanDerWaalsContact C-N 3.25Å; C447-D449 PolarHBondContact O-N 3.42Å; C447-D450 PolarHBondContact O-N 3.36Å; C447-V451 WeakPolarHBondContact O-CG2 3.33Å; C447-V451 PolarHBondContact O-N 2.97Å; C447-V451 VanDerWaalsContact O-N 3.09Å
448	R	80.9	Confident	78.6	Confident	74 Å²	74	39.3 Å²	39.3	28%	0.279	23%	0.232	S	C	.	.	H	α-helix	trans	-56.4	-40.3	178.1	-68.3	-171	86	-160.7	-0.2	111.7	V444 D450 V451 D452 D474	V444-R448 HydrophobicContact CB-CG 4.4Å; V444-R448 HydrophobicContact CG1-CB 4.38Å; V444-R448 HydrophobicContact CG1-CG 3.77Å; R448-D450 PolarHBondContact O-N 2.98Å; R448-V451 PolarHBondContact O-N 3.07Å; R448-D452 VanDerWaalsContact O-CB 3.27Å; R448-D452 WeakPolarHBondContact O-CB 3.46Å; R448-D452 VanDerWaalsContact O-CG 3.22Å; R448-D452 PolarHBondContact O-N 3.48Å; R448-D474 IonicContact CZ-OD2 2.97Å; R448-D474 IonicContact NH1-OD2 3.33Å; R448-D474 PolarHBondContact NH1-OD2 3.23Å; R448-D474 PolarHBondContact NH2-O 2.75Å; R448-D474 IonicContact NH2-OD2 3.69Å
449	D	84.8	Confident	78.8	Confident	87 Å²	87	39.8 Å²	39.8	47%	0.465	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-44.4	-179.8	-52.5	6.1	0	0	0	112.3	C447 T453 S476 V478	C447-D449 VanDerWaalsContact C-N 3.25Å; C447-D449 PolarHBondContact O-N 3.42Å; D449-T453 WeakPolarHBondContact O-CB 3.37Å; D449-T453 PolarHBondContact O-N 3.36Å; D449-T453 VanDerWaalsContact O-N 3.07Å; D449-T453 PolarHBondContact O-OG1 3.16Å; D449-S476 WeakPolarHBondContact CA-O 3.47Å; D449-S476 WeakPolarHBondContact OD1-CB 3.46Å; D449-V478 HydrophobicContact CB-CG2 4.17Å
450	D	85.4	Confident	79	Confident	13 Å²	13	37.6 Å²	37.6	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-42.6	179.6	-67.4	-34.6	0	0	0	111.1	R384 L394 P395 S398 C447 R448 A454	R384-D450 WeakPolarHBondContact CD-OD2 3.2Å; R384-D450 HydrophobicContact CG-CB 4.18Å; R384-D450 IonicContact NH1-OD2 2.66Å; L394-D450 HydrophobicContact CD2-CB 4.32Å; P395-D450 VanDerWaalsContact CD-OD1 3.25Å; P395-D450 WeakPolarHBondContact CD-OD1 3.37Å; P395-D450 WeakPolarHBondContact CG-OD1 3.39Å; S398-D450 VanDerWaalsContact CB-OD1 3.31Å; S398-D450 WeakPolarHBondContact CB-OD1 3.31Å; S398-D450 PolarHBondContact OG-OD1 3.48Å; S398-D450 PolarHBondContact OG-OD2 3.23Å; S398-D450 VanDerWaalsContact OG-OD2 3.12Å; C447-D450 PolarHBondContact O-N 3.36Å; R448-D450 PolarHBondContact O-N 2.98Å; D450-A454 WeakPolarHBondContact O-CB 3.3Å; D450-A454 PolarHBondContact O-N 3.35Å
451	V	86.6	Confident	79.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.2	-47.1	179.7	172.5	0	0	0	0	111.3	V383 I387 L435 V444 C447 R448 A454 L455	V383-V451 HydrophobicContact CB-CG2 4.45Å; V383-V451 HydrophobicContact CG1-CG2 4.16Å; I387-V451 HydrophobicContact CD1-CG2 4.3Å; L435-V451 HydrophobicContact CB-CG1 4.4Å; L435-V451 HydrophobicContact CD2-CG1 4.26Å; V444-V451 HydrophobicContact CG1-CB 4.35Å; V444-V451 HydrophobicContact CG1-CG2 3.94Å; C447-V451 WeakPolarHBondContact O-CG2 3.33Å; C447-V451 PolarHBondContact O-N 2.97Å; C447-V451 VanDerWaalsContact O-N 3.09Å; R448-V451 PolarHBondContact O-N 3.07Å; V451-A454 PolarHBondContact O-N 3.19Å; V451-L455 HydrophobicContact CG1-CD1 4.03Å; V451-L455 HydrophobicContact CG1-CG 4.46Å; V451-L455 WeakPolarHBondContact O-CB 3.45Å; V451-L455 WeakPolarHBondContact O-CG 3.44Å; V451-L455 PolarHBondContact O-N 2.99Å
452	D	87.6	Confident	79.9	Confident	1 Å²	1	36 Å²	36	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-68.3	-41.5	-177.1	-72.3	2.4	0	0	0	111.5	R439 R448 L455 L456 S476	R439-D452 IonicContact CZ-OD1 3.09Å; R439-D452 IonicContact CZ-OD2 3.51Å; R439-D452 IonicContact NH1-OD1 3.82Å; R439-D452 PolarHBondContact NH1-OD1 2.74Å; R439-D452 IonicContact NH1-OD2 2.78Å; R439-D452 PolarHBondContact NH1-OD2 2.7Å; R448-D452 VanDerWaalsContact O-CB 3.27Å; R448-D452 WeakPolarHBondContact O-CB 3.46Å; R448-D452 VanDerWaalsContact O-CG 3.22Å; R448-D452 PolarHBondContact O-N 3.48Å; D452-L455 PolarHBondContact O-N 3.38Å; D452-L456 VanDerWaalsContact O-CB 3.3Å; D452-L456 WeakPolarHBondContact O-CB 3.37Å; D452-L456 PolarHBondContact O-N 2.92Å; D452-S476 PolarHBondContact OD2-N 3.26Å
453	T	88.5	Confident	80.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.7	-40.4	176.1	-55	0	0	0	0	111.1	P395 D449 K457 V478 D481	P395-T453 HydrophobicContact CG-CG2 3.97Å; D449-T453 WeakPolarHBondContact O-CB 3.37Å; D449-T453 PolarHBondContact O-N 3.36Å; D449-T453 VanDerWaalsContact O-N 3.07Å; D449-T453 PolarHBondContact O-OG1 3.16Å; T453-K457 HydrophobicContact CG2-CD 4.4Å; T453-K457 VanDerWaalsContact O-CG 3.29Å; T453-K457 WeakPolarHBondContact O-CG 3.29Å; T453-K457 PolarHBondContact O-N 3Å; T453-V478 PolarHBondContact OG1-N 3.07Å; T453-D481 HydrophobicContact CG2-CB 4.35Å
454	A	87.9	Confident	81.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-43.2	175.3	0	0	0	0	0	112.2	I387 L393 L435 D450 V451 K457 L458	I387-A454 HydrophobicContact CD1-CB 3.99Å; I387-A454 HydrophobicContact CG1-CB 4.32Å; I387-A454 HydrophobicContact CG2-CB 3.78Å; L393-A454 HydrophobicContact CB-CB 4.32Å; L435-A454 HydrophobicContact CD1-CB 4.31Å; D450-A454 WeakPolarHBondContact O-CB 3.3Å; D450-A454 PolarHBondContact O-N 3.35Å; V451-A454 PolarHBondContact O-N 3.19Å; A454-K457 PolarHBondContact O-N 3.19Å; A454-L458 WeakPolarHBondContact O-CB 3.29Å; A454-L458 VanDerWaalsContact O-CG 3.29Å; A454-L458 WeakPolarHBondContact O-CG 3.44Å; A454-L458 PolarHBondContact O-N 3.33Å
455	L	88.4	Confident	82.5	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-47	175.2	-82.4	176.3	0	0	0	111.5	L435 V451 D452 K457 L458 Y459 L470	L435-L455 HydrophobicContact CB-CD1 4.09Å; L435-L455 HydrophobicContact CB-CD2 3.47Å; L435-L455 VanDerWaalsContact CB-CD2 3.47Å; L435-L455 HydrophobicContact CB-CG 3.77Å; L435-L455 HydrophobicContact CD1-CD2 3.94Å; L435-L455 HydrophobicContact CD1-CG 3.98Å; L435-L455 HydrophobicContact CG-CD2 4.32Å; V451-L455 HydrophobicContact CG1-CD1 4.03Å; V451-L455 HydrophobicContact CG1-CG 4.46Å; V451-L455 WeakPolarHBondContact O-CB 3.45Å; V451-L455 WeakPolarHBondContact O-CG 3.44Å; V451-L455 PolarHBondContact O-N 2.99Å; D452-L455 PolarHBondContact O-N 3.38Å; L455-K457 VanDerWaalsContact C-N 3.34Å; L455-K457 PolarHBondContact O-N 3.05Å; L455-L458 PolarHBondContact O-N 3.42Å; L455-Y459 HydrophobicContact CB-CD2 4.41Å; L455-Y459 HydrophobicContact CB-CE2 4.1Å; L455-Y459 HydrophobicContact CD2-CE1 4.18Å; L455-Y459 HydrophobicContact CD2-CE2 4.2Å; L455-Y459 WeakPolarHBondContact O-CB 3.37Å; L455-Y459 WeakPolarHBondContact O-CD2 3.42Å; L455-Y459 PolarHBondContact O-N 3.48Å; L455-L470 HydrophobicContact CB-CD2 3.91Å; L455-L470 HydrophobicContact CD1-CD1 4.42Å
456	L	88.4	Confident	83.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-47	176.8	-178.7	157.5	0	0	0	111.2	D452 L458 Y459 A460 L467 L470 L471 C477 L486 L498	D452-L456 VanDerWaalsContact O-CB 3.3Å; D452-L456 WeakPolarHBondContact O-CB 3.37Å; D452-L456 PolarHBondContact O-N 2.92Å; L456-L458 PolarHBondContact O-N 2.8Å; L456-Y459 PolarHBondContact O-N 3.16Å; L456-A460 VanDerWaalsContact O-CB 3.29Å; L456-A460 WeakPolarHBondContact O-CB 3.49Å; L456-A460 PolarHBondContact O-N 2.83Å; L456-L467 HydrophobicContact CG-CD1 4.37Å; L456-L470 HydrophobicContact CB-CD2 4.22Å; L456-L471 HydrophobicContact CD1-CD2 3.75Å; L456-C477 HydrophobicContact CD1-CB 4.14Å; L456-L486 HydrophobicContact CD1-CD1 4.43Å; L456-L486 HydrophobicContact CD2-CD1 4.15Å; L456-L486 HydrophobicContact CD2-CD2 3.99Å; L456-L486 HydrophobicContact CD2-CG 3.92Å; L456-L498 HydrophobicContact CD1-CD1 4.41Å; L456-L498 HydrophobicContact CD1-CD2 4.41Å
457	K	87.9	Confident	84.6	Confident	8 Å²	8	33.2 Å²	33.2	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-42.3	178.2	-72.8	174.1	-178.7	173	0	112.1	L392 L393 T453 A454 L455 E461 W485	L392-K457 PolarHBondContact O-NZ 3.43Å; L393-K457 HydrophobicContact CD2-CB 3.72Å; L393-K457 HydrophobicContact CD2-CD 4.18Å; L393-K457 PolarHBondContact O-NZ 3.48Å; T453-K457 HydrophobicContact CG2-CD 4.4Å; T453-K457 VanDerWaalsContact O-CG 3.29Å; T453-K457 WeakPolarHBondContact O-CG 3.29Å; T453-K457 PolarHBondContact O-N 3Å; A454-K457 PolarHBondContact O-N 3.19Å; L455-K457 VanDerWaalsContact C-N 3.34Å; L455-K457 PolarHBondContact O-N 3.05Å; K457-E461 WeakPolarHBondContact O-CB 3.24Å; K457-E461 PolarHBondContact O-N 3.4Å; K457-E461 VanDerWaalsContact O-N 3.14Å; K457-W485 HydrophobicContact CB-CD2 4.34Å; K457-W485 HydrophobicContact CB-CG 4.28Å; K457-W485 HydrophobicContact CD-CD2 4.44Å; K457-W485 HydrophobicContact CG-CB 4.3Å; K457-W485 HydrophobicContact CG-CD2 3.99Å; K457-W485 HydrophobicContact CG-CG 3.77Å; K457-W485 PolarHBondContact O-NE1 3.44Å
458	L	87.3	Confident	84.9	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.7	-41.8	178.2	-74	168.5	0	0	0	112.7	L393 K428 L431 I432 L435 A454 L455 L456 E461 Q462	L393-L458 HydrophobicContact CD1-CD1 3.96Å; L393-L458 HydrophobicContact CD1-CD2 3.77Å; L393-L458 HydrophobicContact CD1-CG 3.82Å; L393-L458 HydrophobicContact CD2-CD2 4.31Å; L393-L458 HydrophobicContact CD2-CG 4.2Å; K428-L458 HydrophobicContact CB-CD2 4.34Å; K428-L458 HydrophobicContact CD-CD2 4.34Å; K428-L458 HydrophobicContact CG-CD2 4.2Å; L431-L458 HydrophobicContact CB-CD1 4.48Å; L431-L458 HydrophobicContact CD2-CD1 3.61Å; L431-L458 HydrophobicContact CG-CD1 3.94Å; I432-L458 HydrophobicContact CD1-CB 4.19Å; I432-L458 HydrophobicContact CG1-CB 3.93Å; I432-L458 HydrophobicContact CG1-CD1 4.12Å; L435-L458 HydrophobicContact CD1-CD1 4.23Å; A454-L458 WeakPolarHBondContact O-CB 3.29Å; A454-L458 VanDerWaalsContact O-CG 3.29Å; A454-L458 WeakPolarHBondContact O-CG 3.44Å; A454-L458 PolarHBondContact O-N 3.33Å; L455-L458 PolarHBondContact O-N 3.42Å; L456-L458 PolarHBondContact O-N 2.8Å; L458-E461 PolarHBondContact O-N 2.94Å; L458-Q462 PolarHBondContact O-N 3.27Å; L458-Q462 VanDerWaalsContact O-N 3.08Å
459	Y	88	Confident	85	Confident	18 Å²	18	36.8 Å²	36.8	7%	0.071	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-40.4	178.2	-69.1	-23.2	0	0	0	112.2	I432 L455 L456 Q462 D463 H464 L470	I432-Y459 HydrophobicContact CB-CE1 4.47Å; I432-Y459 HydrophobicContact CD1-CD1 4.47Å; I432-Y459 HydrophobicContact CG1-CD1 4.39Å; I432-Y459 HydrophobicContact CG1-CE1 4.22Å; I432-Y459 HydrophobicContact CG2-CD1 4.44Å; I432-Y459 HydrophobicContact CG2-CE1 3.64Å; L455-Y459 HydrophobicContact CB-CD2 4.41Å; L455-Y459 HydrophobicContact CB-CE2 4.1Å; L455-Y459 HydrophobicContact CD2-CE1 4.18Å; L455-Y459 HydrophobicContact CD2-CE2 4.2Å; L455-Y459 WeakPolarHBondContact O-CB 3.37Å; L455-Y459 WeakPolarHBondContact O-CD2 3.42Å; L455-Y459 PolarHBondContact O-N 3.48Å; L456-Y459 PolarHBondContact O-N 3.16Å; Y459-Q462 PolarHBondContact O-N 2.8Å; Y459-D463 PolarHBondContact O-N 3.16Å; Y459-D463 VanDerWaalsContact O-N 3.1Å; Y459-H464 HydrophobicContact CD1-CB 3.61Å; Y459-H464 AromaticContact CD1-CD2 3.43Å; Y459-H464 VanDerWaalsContact CD1-CD2 3.43Å; Y459-H464 WeakPolarHBondContact CD1-CD2 3.27Å; Y459-H464 AromaticContact CD1-CG 3.77Å; Y459-H464 HydrophobicContact CE1-CB 4.36Å; Y459-H464 AromaticContact CE1-CD2 3.25Å; Y459-H464 WeakPolarHBondContact CE1-CD2 3.44Å; Y459-H464 AromaticContact CE1-NE2 4Å; Y459-H464 HydrophobicContact CG-CB 4.12Å; Y459-H464 PolarHBondContact O-N 3.1Å; Y459-L470 HydrophobicContact CD2-CB 4.38Å; Y459-L470 HydrophobicContact CD2-CD2 3.9Å; Y459-L470 HydrophobicContact CE2-CB 4.19Å; Y459-L470 HydrophobicContact CE2-CD2 3.94Å
460	A	85.2	Confident	84.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-36.6	175.5	0	0	0	0	0	112.5	L456 L486	L456-A460 VanDerWaalsContact O-CB 3.29Å; L456-A460 WeakPolarHBondContact O-CB 3.49Å; L456-A460 PolarHBondContact O-N 2.83Å; A460-L486 HydrophobicContact CB-CD2 3.85Å
461	E	85.9	Confident	84.7	Confident	64 Å²	64	32.5 Å²	32.5	30%	0.299	17%	0.169	S	C	.	.	H	α-helix	trans	-72.2	-33.7	177.5	-179.4	179.4	-164.6	0	0	112.9	K428 K457 L458 Y489	K428-E461 IonicContact NZ-OE1 3.91Å; K428-E461 PolarHBondContact NZ-OE1 3.35Å; K428-E461 IonicContact NZ-OE2 2.72Å; K428-E461 PolarHBondContact NZ-OE2 2.97Å; K457-E461 WeakPolarHBondContact O-CB 3.24Å; K457-E461 PolarHBondContact O-N 3.4Å; K457-E461 VanDerWaalsContact O-N 3.14Å; L458-E461 PolarHBondContact O-N 2.94Å; E461-Y489 HydrophobicContact CB-CE1 4.15Å; E461-Y489 HydrophobicContact CB-CE2 4.25Å; E461-Y489 HydrophobicContact CG-CE1 4.01Å; E461-Y489 WeakPolarHBondContact CG-OH 3.24Å
462	Q	82.8	Confident	84.4	Confident	50 Å²	50	35.2 Å²	35.2	23%	0.234	19%	0.192	C	C	.	.	H	α-helix	trans	-100.3	6.3	-175.6	-65.4	-166.4	17	0	0	114.9	I432 L458 Y459 H464	I432-Q462 HydrophobicContact CD1-CG 4.39Å; I432-Q462 VanDerWaalsContact CD1-OE1 3.28Å; L458-Q462 PolarHBondContact O-N 3.27Å; L458-Q462 VanDerWaalsContact O-N 3.08Å; Y459-Q462 PolarHBondContact O-N 2.8Å; Q462-H464 PolarHBondContact O-N 2.74Å
463	D	78.4	Confident	84	Confident	104 Å²	104	37.2 Å²	37.2	56%	0.556	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	45.6	-173.9	-70.9	-34	0	0	0	112.7	Y459 K491	Y459-D463 PolarHBondContact O-N 3.16Å; Y459-D463 VanDerWaalsContact O-N 3.1Å; D463-K491 WeakPolarHBondContact OD1-CE 3.25Å; D463-K491 IonicContact OD1-NZ 3.4Å; D463-K491 PolarHBondContact OD1-NZ 3.43Å
464	H	80.4	Confident	83.4	Confident	69 Å²	69	42.5 Å²	42.5	32%	0.319	23%	0.234	S	C	.	.			trans	-78.6	134.5	-175.5	-160.7	59.4	0	0	0	112	Y459 Q462 S466 L467	Y459-H464 HydrophobicContact CD1-CB 3.61Å; Y459-H464 AromaticContact CD1-CD2 3.43Å; Y459-H464 VanDerWaalsContact CD1-CD2 3.43Å; Y459-H464 WeakPolarHBondContact CD1-CD2 3.27Å; Y459-H464 AromaticContact CD1-CG 3.77Å; Y459-H464 HydrophobicContact CE1-CB 4.36Å; Y459-H464 AromaticContact CE1-CD2 3.25Å; Y459-H464 WeakPolarHBondContact CE1-CD2 3.44Å; Y459-H464 AromaticContact CE1-NE2 4Å; Y459-H464 HydrophobicContact CG-CB 4.12Å; Y459-H464 PolarHBondContact O-N 3.1Å; Q462-H464 PolarHBondContact O-N 2.74Å; H464-S466 PolarHBondContact O-N 3.44Å; H464-S466 VanDerWaalsContact O-N 3.16Å; H464-L467 WeakPolarHBondContact O-CB 3.09Å; H464-L467 PolarHBondContact O-N 2.91Å; H464-L467 VanDerWaalsContact O-N 3.09Å
465	D	79.4	Confident	83.1	Confident	146 Å²	146	43.3 Å²	43.3	78%	0.781	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.1	-176.3	-61.9	-34.3	0	0	0	113	L467	D465-L467 PolarHBondContact O-N 3.24Å
466	S	82.9	Confident	82.7	Confident	41 Å²	41	44.9 Å²	44.9	29%	0.287	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	2.3	-178.4	-50.3	0	0	0	0	114.9	H464 L468 D469 L470	H464-S466 PolarHBondContact O-N 3.44Å; H464-S466 VanDerWaalsContact O-N 3.16Å; S466-L468 VanDerWaalsContact C-N 3.28Å; S466-L468 PolarHBondContact O-N 3.18Å; S466-D469 PolarHBondContact O-N 3.47Å; S466-L470 PolarHBondContact O-N 2.62Å
467	L	84	Confident	82.4	Confident	9 Å²	9	45.1 Å²	45.1	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-56.8	-44.9	175.6	178.5	61	0	0	0	111.5	L456 H464 D465 L471 K491 A494	L456-L467 HydrophobicContact CG-CD1 4.37Å; H464-L467 WeakPolarHBondContact O-CB 3.09Å; H464-L467 PolarHBondContact O-N 2.91Å; H464-L467 VanDerWaalsContact O-N 3.09Å; D465-L467 PolarHBondContact O-N 3.24Å; L467-L471 HydrophobicContact CD1-CD1 4.25Å; L467-L471 HydrophobicContact CG-CD1 4.38Å; L467-L471 WeakPolarHBondContact O-CG 2.86Å; L467-L471 PolarHBondContact O-N 3.34Å; L467-K491 HydrophobicContact CD2-CG 4.44Å; L467-A494 HydrophobicContact CD2-CB 4.03Å; L467-A494 HydrophobicContact CG-CB 4.36Å
468	L	82.1	Confident	82.2	Confident	50 Å²	50	46 Å²	46	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-72	-37.6	-178.2	-57.9	178.8	0	0	0	111.1	S466 L470 L471 A472 F493 A494 L497	S466-L468 VanDerWaalsContact C-N 3.28Å; S466-L468 PolarHBondContact O-N 3.18Å; L468-L470 VanDerWaalsContact C-N 3.35Å; L468-L471 PolarHBondContact O-N 3.41Å; L468-A472 VanDerWaalsContact O-CB 3.22Å; L468-A472 WeakPolarHBondContact O-CB 3.42Å; L468-A472 PolarHBondContact O-N 3.4Å; L468-F493 HydrophobicContact CD1-CE1 4.31Å; L468-F493 HydrophobicContact CD2-CD1 3.78Å; L468-F493 HydrophobicContact CD2-CE1 3.92Å; L468-A494 HydrophobicContact CD2-CB 4.26Å; L468-L497 HydrophobicContact CD2-CD1 3.88Å
469	D	82.6	Confident	81.9	Confident	111 Å²	111	47.9 Å²	47.9	59%	0.594	27%	0.267	S	S	*	.	H	α-helix	trans	-63.7	-40.9	176.7	-63.1	-28.4	0	0	0	111.7	S466 A472 S473	S466-D469 PolarHBondContact O-N 3.47Å; D469-A472 PolarHBondContact O-N 3.02Å; D469-S473 WeakPolarHBondContact O-CB 3.15Å; D469-S473 PolarHBondContact O-N 3.28Å; D469-S473 PolarHBondContact O-OG 3.05Å
470	L	83.4	Confident	81.6	Confident	10 Å²	10	52 Å²	52	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-50.7	175.8	-178.5	71.6	0	0	0	110.5	L455 L456 Y459 S466 L468 A472 S473	L455-L470 HydrophobicContact CB-CD2 3.91Å; L455-L470 HydrophobicContact CD1-CD1 4.42Å; L456-L470 HydrophobicContact CB-CD2 4.22Å; Y459-L470 HydrophobicContact CD2-CB 4.38Å; Y459-L470 HydrophobicContact CD2-CD2 3.9Å; Y459-L470 HydrophobicContact CE2-CB 4.19Å; Y459-L470 HydrophobicContact CE2-CD2 3.94Å; S466-L470 PolarHBondContact O-N 2.62Å; L468-L470 VanDerWaalsContact C-N 3.35Å; L470-A472 VanDerWaalsContact C-N 3.33Å; L470-A472 PolarHBondContact O-N 3.34Å; L470-S473 PolarHBondContact O-N 2.75Å; L470-S473 PolarHBondContact O-OG 3.08Å
471	L	82	Confident	81.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.5	-29.3	-178.2	-72.1	170.8	0	0	0	113.1	L456 L467 L468 S473 N475 A494 L497 L498 F501	L456-L471 HydrophobicContact CD1-CD2 3.75Å; L467-L471 HydrophobicContact CD1-CD1 4.25Å; L467-L471 HydrophobicContact CG-CD1 4.38Å; L467-L471 WeakPolarHBondContact O-CG 2.86Å; L467-L471 PolarHBondContact O-N 3.34Å; L468-L471 PolarHBondContact O-N 3.41Å; L471-S473 VanDerWaalsContact C-N 3.27Å; L471-N475 PolarHBondContact O-ND2 3.35Å; L471-N475 VanDerWaalsContact O-ND2 3.11Å; L471-A494 HydrophobicContact CD1-CB 3.62Å; L471-A494 WeakPolarHBondContact CD1-O 3.47Å; L471-L497 HydrophobicContact CB-CB 4.21Å; L471-L498 HydrophobicContact CD2-CB 3.98Å; L471-L498 HydrophobicContact CD2-CD1 3.8Å; L471-L498 HydrophobicContact CD2-CG 4.44Å; L471-F501 WeakPolarHBondContact O-CD2 3.35Å; L471-F501 WeakPolarHBondContact O-CE2 3.46Å; L471-F501 WeakPolarHBondContact O-CG 3.38Å
472	A	79	Confident	81.4	Confident	58 Å²	58	50.4 Å²	50.4	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-76.2	-14.8	175.8	0	0	0	0	0	113.5	L468 D469 L470 F501	L468-A472 VanDerWaalsContact O-CB 3.22Å; L468-A472 WeakPolarHBondContact O-CB 3.42Å; L468-A472 PolarHBondContact O-N 3.4Å; D469-A472 PolarHBondContact O-N 3.02Å; L470-A472 VanDerWaalsContact C-N 3.33Å; L470-A472 PolarHBondContact O-N 3.34Å; A472-F501 WeakPolarHBondContact O-CE1 3.13Å; A472-F501 WeakPolarHBondContact O-CZ 3.43Å
473	S	80.3	Confident	81.5	Confident	43 Å²	43	49.1 Å²	49.1	30%	0.301	28%	0.283	S	S	.	.	S	Bend	trans	-95.4	171.3	178.5	74	0	0	0	0	112.2	R439 D469 L470 L471 N475	R439-S473 PolarHBondContact NH2-OG 3.42Å; D469-S473 WeakPolarHBondContact O-CB 3.15Å; D469-S473 PolarHBondContact O-N 3.28Å; D469-S473 PolarHBondContact O-OG 3.05Å; L470-S473 PolarHBondContact O-N 2.75Å; L470-S473 PolarHBondContact O-OG 3.08Å; L471-S473 VanDerWaalsContact C-N 3.27Å; S473-N475 PolarHBondContact O-N 2.85Å; S473-N475 PolarHBondContact O-ND2 3.03Å
474	D	75.3	Confident	81.9	Confident	110 Å²	110	47.6 Å²	47.6	59%	0.588	28%	0.279	S	S	*	.	S	Bend	trans	-58.8	101.2	172.1	179.1	42.6	0	0	0	110.2	R439 R448	R439-D474 PolarHBondContact NH2-O 3.37Å; R448-D474 IonicContact CZ-OD2 2.97Å; R448-D474 IonicContact NH1-OD2 3.33Å; R448-D474 PolarHBondContact NH1-OD2 3.23Å; R448-D474 PolarHBondContact NH2-O 2.75Å; R448-D474 IonicContact NH2-OD2 3.69Å
475	N	80.7	Confident	82.1	Confident	17 Å²	17	46 Å²	46	9%	0.091	27%	0.27	C	S	.	.			trans	-118.5	143.3	-172.9	68	88	0	0	0	110.3	L471 S473	L471-N475 PolarHBondContact O-ND2 3.35Å; L471-N475 VanDerWaalsContact O-ND2 3.11Å; S473-N475 PolarHBondContact O-N 2.85Å; S473-N475 PolarHBondContact O-ND2 3.03Å
476	S	80.5	Confident	82.4	Confident	35 Å²	35	39 Å²	39	25%	0.245	23%	0.233	C	C	.	.			trans	-111	30.5	177.6	-49.1	0	0	0	0	111.5	D449 D452 V478	D449-S476 WeakPolarHBondContact CA-O 3.47Å; D449-S476 WeakPolarHBondContact OD1-CB 3.46Å; D452-S476 PolarHBondContact OD2-N 3.26Å; S476-V478 PolarHBondContact O-N 3.48Å
477	C	82	Confident	82.5	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.034	24%	0.239	C	C	.	.			trans	-60.7	132.4	-177.2	-68.1	0	0	0	0	112.2	L456 L479 L498	L456-C477 HydrophobicContact CD1-CB 4.14Å; C477-L479 PolarHBondContact O-N 2.85Å; C477-L498 HydrophobicContact CB-CD1 3.6Å
478	V	83.4	Confident	82.6	Confident	26 Å²	26	47.1 Å²	47.1	16%	0.158	26%	0.264	C	S	.	.			trans	-80.9	110.8	179	-178.8	0	0	0	0	110.7	P395 D449 T453 S476 T480 D481 S482	P395-V478 HydrophobicContact CB-CG2 4.33Å; P395-V478 HydrophobicContact CG-CG2 4.33Å; D449-V478 HydrophobicContact CB-CG2 4.17Å; T453-V478 PolarHBondContact OG1-N 3.07Å; S476-V478 PolarHBondContact O-N 3.48Å; V478-T480 VanDerWaalsContact C-N 3.32Å; V478-T480 WeakPolarHBondContact CG1-OG1 3.43Å; V478-T480 PolarHBondContact O-N 3.19Å; V478-D481 PolarHBondContact O-N 3.46Å; V478-S482 WeakPolarHBondContact O-CB 3.42Å; V478-S482 PolarHBondContact O-N 2.93Å; V478-S482 PolarHBondContact O-OG 3.43Å; V478-S482 VanDerWaalsContact O-OG 3.06Å
479	L	82.3	Confident	82.7	Confident	39 Å²	39	47.8 Å²	47.8	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-54.7	-41.6	-175.9	-66.5	178.7	0	0	0	114.2	C477 D481 S482 V483 L498 N502	C477-L479 PolarHBondContact O-N 2.85Å; L479-D481 PolarHBondContact O-N 3.09Å; L479-S482 PolarHBondContact O-N 3.07Å; L479-V483 WeakPolarHBondContact O-CB 3.33Å; L479-V483 WeakPolarHBondContact O-CG2 3.4Å; L479-V483 PolarHBondContact O-N 2.99Å; L479-V483 VanDerWaalsContact O-N 3.09Å; L479-L498 HydrophobicContact CD2-CD1 4.07Å; L479-L498 HydrophobicContact CD2-CD2 3.75Å; L479-L498 HydrophobicContact CD2-CG 3.55Å; L479-N502 HydrophobicContact CD1-CB 3.95Å; L479-N502 WeakPolarHBondContact CD1-ND2 3.44Å; L479-N502 HydrophobicContact CD2-CB 4.2Å; L479-N502 WeakPolarHBondContact CD2-ND2 3.45Å; L479-N502 HydrophobicContact CG-CB 4.43Å; L479-N502 WeakPolarHBondContact CG-ND2 3.45Å
480	T	81.8	Confident	82.7	Confident	104 Å²	104	48.1 Å²	48.1	64%	0.638	26%	0.261	S	S	*	.	H	α-helix	trans	-60.1	-34	-173.7	52.8	0	0	0	0	112.8	V478 P484	V478-T480 VanDerWaalsContact C-N 3.32Å; V478-T480 WeakPolarHBondContact CG1-OG1 3.43Å; V478-T480 PolarHBondContact O-N 3.19Å; T480-P484 VanDerWaalsContact O-CD 3.25Å; T480-P484 WeakPolarHBondContact O-CD 3.03Å
481	D	82.1	Confident	82.7	Confident	32 Å²	32	48.9 Å²	48.9	17%	0.171	26%	0.264	C	S	.	.	H	α-helix	trans	-98.2	-29.9	-178.1	-67.1	-27.6	0	0	0	112.5	P395 A396 T453 V478 L479	P395-D481 WeakPolarHBondContact CA-OD2 3.23Å; P395-D481 WeakPolarHBondContact CB-OD2 3.34Å; A396-D481 PolarHBondContact N-OD2 3.42Å; T453-D481 HydrophobicContact CG2-CB 4.35Å; V478-D481 PolarHBondContact O-N 3.46Å; L479-D481 PolarHBondContact O-N 3.09Å
482	S	84.4	Confident	82.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-72.8	-38.1	179.9	-63.1	0	0	0	0	113	V478 L479 W485 L486	V478-S482 WeakPolarHBondContact O-CB 3.42Å; V478-S482 PolarHBondContact O-N 2.93Å; V478-S482 PolarHBondContact O-OG 3.43Å; V478-S482 VanDerWaalsContact O-OG 3.06Å; L479-S482 PolarHBondContact O-N 3.07Å; S482-W485 PolarHBondContact O-N 3.47Å; S482-L486 WeakPolarHBondContact O-CG 3.33Å; S482-L486 PolarHBondContact O-N 3.32Å
483	V	85.3	Confident	82.9	Confident	23 Å²	23	48 Å²	48	14%	0.139	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-58.3	-178.8	173.8	0	0	0	0	112.7	L479 W485 L486 E487 L495 Y499	L479-V483 WeakPolarHBondContact O-CB 3.33Å; L479-V483 WeakPolarHBondContact O-CG2 3.4Å; L479-V483 PolarHBondContact O-N 2.99Å; L479-V483 VanDerWaalsContact O-N 3.09Å; V483-W485 PolarHBondContact O-N 3.06Å; V483-L486 PolarHBondContact O-N 3.33Å; V483-E487 WeakPolarHBondContact O-CG 2.93Å; V483-E487 PolarHBondContact O-N 2.97Å; V483-E487 VanDerWaalsContact O-N 3.07Å; V483-L495 HydrophobicContact CB-CD1 4.17Å; V483-L495 HydrophobicContact CG1-CD1 4.16Å; V483-L495 HydrophobicContact CG2-CD1 3.8Å; V483-Y499 HydrophobicContact CG2-CE1 4.41Å
484	P	86.2	Confident	83.1	Confident	71 Å²	71	46 Å²	46	46%	0.461	23%	0.234	S	C	.	.	H	α-helix	trans	-63.9	-26.9	-178	25.1	-34.7	0	0	0	112.4	T480 K488	T480-P484 VanDerWaalsContact O-CD 3.25Å; T480-P484 WeakPolarHBondContact O-CD 3.03Å; P484-K488 WeakPolarHBondContact O-CB 3.46Å; P484-K488 PolarHBondContact O-N 3.21Å; P484-K488 VanDerWaalsContact O-N 3.16Å
485	W	84.3	Confident	83.5	Confident	36 Å²	36	40.9 Å²	40.9	14%	0.136	21%	0.207	C	C	.	.	H	α-helix	trans	-72	-46	177	-158.2	-93.9	0	0	0	112	L392 K457 S482 V483 E487 K488 Y489	L392-W485 HydrophobicContact CB-CH2 4.5Å; L392-W485 HydrophobicContact CB-CZ3 4.28Å; L392-W485 HydrophobicContact CD1-CZ3 4.38Å; K457-W485 HydrophobicContact CB-CD2 4.34Å; K457-W485 HydrophobicContact CB-CG 4.28Å; K457-W485 HydrophobicContact CD-CD2 4.44Å; K457-W485 HydrophobicContact CG-CB 4.3Å; K457-W485 HydrophobicContact CG-CD2 3.99Å; K457-W485 HydrophobicContact CG-CG 3.77Å; K457-W485 PolarHBondContact O-NE1 3.44Å; S482-W485 PolarHBondContact O-N 3.47Å; V483-W485 PolarHBondContact O-N 3.06Å; W485-E487 VanDerWaalsContact C-N 3.33Å; W485-E487 PolarHBondContact O-N 3.43Å; W485-K488 WeakPolarHBondContact O-CB 3.48Å; W485-K488 PolarHBondContact O-N 3.44Å; W485-Y489 AromaticContact CD1-CD2 3.89Å; W485-Y489 AromaticContact CD1-CE2 3.9Å; W485-Y489 HydrophobicContact CD2-CE2 4.19Å; W485-Y489 AromaticContact CE2-CE2 3.58Å; W485-Y489 HydrophobicContact CG-CD2 4.49Å; W485-Y489 HydrophobicContact CG-CE2 4.39Å; W485-Y489 AromaticContact CZ2-CE2 3.95Å; W485-Y489 HydrophobicContact CZ2-CE2 3.95Å; W485-Y489 AromaticContact NE1-CD2 3.82Å; W485-Y489 AromaticContact NE1-CE2 3.39Å; W485-Y489 VanDerWaalsContact O-CD2 3.31Å; W485-Y489 WeakPolarHBondContact O-CD2 3.37Å; W485-Y489 PolarHBondContact O-N 3Å
486	L	85.1	Confident	83.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-35.5	177.6	-69.7	170.3	0	0	0	112.3	L456 A460 S482 V483 Y489 H490 K491 A494 L495 L498	L456-L486 HydrophobicContact CD1-CD1 4.43Å; L456-L486 HydrophobicContact CD2-CD1 4.15Å; L456-L486 HydrophobicContact CD2-CD2 3.99Å; L456-L486 HydrophobicContact CD2-CG 3.92Å; A460-L486 HydrophobicContact CB-CD2 3.85Å; S482-L486 WeakPolarHBondContact O-CG 3.33Å; S482-L486 PolarHBondContact O-N 3.32Å; V483-L486 PolarHBondContact O-N 3.33Å; L486-Y489 PolarHBondContact O-N 3.08Å; L486-H490 PolarHBondContact O-N 2.97Å; L486-H490 VanDerWaalsContact O-N 3.14Å; L486-K491 HydrophobicContact CD2-CB 3.92Å; L486-K491 PolarHBondContact O-N 2.81Å; L486-A494 HydrophobicContact CD2-CB 4.31Å; L486-L495 HydrophobicContact CB-CB 4.23Å; L486-L495 HydrophobicContact CD1-CB 4.07Å; L486-L495 HydrophobicContact CD1-CD1 4.14Å; L486-L498 HydrophobicContact CD1-CD2 4.13Å
487	E	85.8	Confident	83.8	Confident	91 Å²	91	38.9 Å²	38.9	43%	0.425	19%	0.193	S	C	.	.	H	α-helix	trans	-63.9	-42.2	173.8	-71.3	-179	156.3	0	0	112	V483 W485 Y489 H490 Y492 L495	V483-E487 WeakPolarHBondContact O-CG 2.93Å; V483-E487 PolarHBondContact O-N 2.97Å; V483-E487 VanDerWaalsContact O-N 3.07Å; W485-E487 VanDerWaalsContact C-N 3.33Å; W485-E487 PolarHBondContact O-N 3.43Å; E487-Y489 VanDerWaalsContact C-N 3.28Å; E487-Y489 PolarHBondContact O-N 3.36Å; E487-H490 PolarHBondContact O-N 3.09Å; E487-H490 VanDerWaalsContact O-N 3.11Å; E487-H490 PolarHBondContact O-ND1 2.95Å; E487-Y492 HydrophobicContact CG-CE1 4.34Å; E487-L495 HydrophobicContact CG-CD2 3.96Å
488	K	86.1	Confident	84	Confident	129 Å²	129	38.6 Å²	38.6	56%	0.561	19%	0.192	S	C	*	.	H	α-helix	trans	-59.1	-36.7	177.6	-177.5	-174.7	175.6	-167.6	0	113	P484 W485	P484-K488 WeakPolarHBondContact O-CB 3.46Å; P484-K488 PolarHBondContact O-N 3.21Å; P484-K488 VanDerWaalsContact O-N 3.16Å; W485-K488 WeakPolarHBondContact O-CB 3.48Å; W485-K488 PolarHBondContact O-N 3.44Å
489	Y	84.3	Confident	84.1	Confident	63 Å²	63	39.5 Å²	39.5	25%	0.247	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11.2	178.7	-67.3	-81	0	0	0	113.4	E461 W485 L486 E487 K491	E461-Y489 HydrophobicContact CB-CE1 4.15Å; E461-Y489 HydrophobicContact CB-CE2 4.25Å; E461-Y489 HydrophobicContact CG-CE1 4.01Å; E461-Y489 WeakPolarHBondContact CG-OH 3.24Å; W485-Y489 AromaticContact CD1-CD2 3.89Å; W485-Y489 AromaticContact CD1-CE2 3.9Å; W485-Y489 HydrophobicContact CD2-CE2 4.19Å; W485-Y489 AromaticContact CE2-CE2 3.58Å; W485-Y489 HydrophobicContact CG-CD2 4.49Å; W485-Y489 HydrophobicContact CG-CE2 4.39Å; W485-Y489 AromaticContact CZ2-CE2 3.95Å; W485-Y489 HydrophobicContact CZ2-CE2 3.95Å; W485-Y489 AromaticContact NE1-CD2 3.82Å; W485-Y489 AromaticContact NE1-CE2 3.39Å; W485-Y489 VanDerWaalsContact O-CD2 3.31Å; W485-Y489 WeakPolarHBondContact O-CD2 3.37Å; W485-Y489 PolarHBondContact O-N 3Å; L486-Y489 PolarHBondContact O-N 3.08Å; E487-Y489 VanDerWaalsContact C-N 3.28Å; E487-Y489 PolarHBondContact O-N 3.36Å; Y489-K491 VanDerWaalsContact C-N 3.27Å; Y489-K491 PolarHBondContact O-N 3.08Å
490	H	83.2	Confident	84.1	Confident	118 Å²	118	40.3 Å²	40.3	55%	0.546	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	35.7	178.2	-54.4	-43.6	0	0	0	114.5	L486 E487 Y492	L486-H490 PolarHBondContact O-N 2.97Å; L486-H490 VanDerWaalsContact O-N 3.14Å; E487-H490 PolarHBondContact O-N 3.09Å; E487-H490 VanDerWaalsContact O-N 3.11Å; E487-H490 PolarHBondContact O-ND1 2.95Å; H490-Y492 HydrophobicContact CB-CD2 4.49Å; H490-Y492 HydrophobicContact CB-CE2 3.88Å; H490-Y492 AromaticContact ND1-CZ 3.96Å; H490-Y492 PolarHBondContact ND1-OH 2.96Å; H490-Y492 PolarHBondContact O-N 3.5Å
491	K	83.3	Confident	84	Confident	26 Å²	26	39.5 Å²	39.5	11%	0.113	18%	0.183	C	C	.	.			trans	-98.2	65.4	177.6	-57.8	-57.2	179.6	-179	0	111.2	D463 L467 L486 Y489 A494 L495 T524	D463-K491 WeakPolarHBondContact OD1-CE 3.25Å; D463-K491 IonicContact OD1-NZ 3.4Å; D463-K491 PolarHBondContact OD1-NZ 3.43Å; L467-K491 HydrophobicContact CD2-CG 4.44Å; L486-K491 HydrophobicContact CD2-CB 3.92Å; L486-K491 PolarHBondContact O-N 2.81Å; Y489-K491 VanDerWaalsContact C-N 3.27Å; Y489-K491 PolarHBondContact O-N 3.08Å; K491-A494 HydrophobicContact CB-CB 4.19Å; K491-L495 PolarHBondContact O-N 3.36Å; K491-L495 VanDerWaalsContact O-N 3.09Å; K491-T524 HydrophobicContact CD-CG2 3.91Å
492	Y	82.8	Confident	83.9	Confident	39 Å²	39	41.1 Å²	41.1	15%	0.153	19%	0.191	C	C	.	.	H	α-helix	trans	-73.1	-31.8	-174.5	-58.7	-72.1	0	0	0	113.6	E487 H490 L495 G496 L511 L520 D522	E487-Y492 HydrophobicContact CG-CE1 4.34Å; H490-Y492 HydrophobicContact CB-CD2 4.49Å; H490-Y492 HydrophobicContact CB-CE2 3.88Å; H490-Y492 AromaticContact ND1-CZ 3.96Å; H490-Y492 PolarHBondContact ND1-OH 2.96Å; H490-Y492 PolarHBondContact O-N 3.5Å; Y492-L495 WeakPolarHBondContact O-CB 3.37Å; Y492-L495 PolarHBondContact O-N 2.91Å; Y492-G496 PolarHBondContact O-N 2.89Å; Y492-L511 HydrophobicContact CD1-CD1 4.36Å; Y492-L511 WeakPolarHBondContact O-CD2 3.43Å; Y492-L520 HydrophobicContact CD1-CD1 4.28Å; Y492-L520 HydrophobicContact CD2-CB 4.38Å; Y492-L520 HydrophobicContact CE1-CD2 4.49Å; Y492-L520 HydrophobicContact CE2-CD2 4.44Å; Y492-L520 HydrophobicContact CG-CD1 4.33Å; Y492-D522 WeakPolarHBondContact CA-OD2 3.44Å; Y492-D522 HydrophobicContact CD2-CB 4.47Å; Y492-D522 PolarHBondContact N-OD2 3.42Å
493	F	82.5	Confident	83.7	Confident	2 Å²	2	44 Å²	44	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-47.6	174.7	177.4	-112.3	0	0	0	111.2	L468 L495 G496 L497 W512 D522 T524 R525 L528 Y531	L468-F493 HydrophobicContact CD1-CE1 4.31Å; L468-F493 HydrophobicContact CD2-CD1 3.78Å; L468-F493 HydrophobicContact CD2-CE1 3.92Å; F493-L495 VanDerWaalsContact C-N 3.29Å; F493-L495 PolarHBondContact O-N 3.23Å; F493-G496 WeakPolarHBondContact O-CA 3.15Å; F493-G496 PolarHBondContact O-N 3.48Å; F493-G496 VanDerWaalsContact O-N 3.08Å; F493-L497 HydrophobicContact CD1-CD1 4.24Å; F493-L497 HydrophobicContact CE1-CD1 3.72Å; F493-L497 HydrophobicContact CE1-CG 4.29Å; F493-L497 HydrophobicContact CZ-CD1 4.1Å; F493-L497 HydrophobicContact CZ-CD2 4.39Å; F493-L497 HydrophobicContact CZ-CG 4.26Å; F493-L497 PolarHBondContact O-N 3.11Å; F493-W512 AromaticContact CD2-CD1 3.85Å; F493-W512 AromaticContact CD2-NE1 3.55Å; F493-W512 AromaticContact CE2-NE1 3.92Å; F493-W512 PolarHBondContact O-NE1 3.42Å; F493-D522 PolarHBondContact N-OD2 2.9Å; F493-T524 VanDerWaalsContact CB-OG1 3.23Å; F493-T524 WeakPolarHBondContact CB-OG1 3.46Å; F493-R525 HydrophobicContact CD1-CB 4.46Å; F493-L528 HydrophobicContact CD2-CD1 3.37Å; F493-L528 HydrophobicContact CE2-CD1 3.41Å; F493-L528 VanDerWaalsContact CE2-CD1 3.41Å; F493-Y531 AromaticContact CE2-CD1 3.84Å; F493-Y531 HydrophobicContact CE2-CD1 3.84Å; F493-Y531 AromaticContact CE2-CE1 3.87Å; F493-Y531 HydrophobicContact CE2-CE1 3.87Å; F493-Y531 HydrophobicContact CE2-CG 4.47Å; F493-Y531 HydrophobicContact CZ-CD1 4.24Å; F493-Y531 HydrophobicContact CZ-CE1 4.11Å
494	A	83.3	Confident	83.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-40.1	174.3	0	0	0	0	0	111.5	L467 L468 L471 L486 K491 G496 L497 L498	L467-A494 HydrophobicContact CD2-CB 4.03Å; L467-A494 HydrophobicContact CG-CB 4.36Å; L468-A494 HydrophobicContact CD2-CB 4.26Å; L471-A494 HydrophobicContact CD1-CB 3.62Å; L471-A494 WeakPolarHBondContact CD1-O 3.47Å; L486-A494 HydrophobicContact CD2-CB 4.31Å; K491-A494 HydrophobicContact CB-CB 4.19Å; A494-G496 VanDerWaalsContact C-N 3.32Å; A494-G496 PolarHBondContact O-N 3.27Å; A494-L497 WeakPolarHBondContact O-CB 3.5Å; A494-L497 PolarHBondContact O-N 3.39Å; A494-L498 PolarHBondContact O-N 3.14Å
495	L	85.2	Confident	83.4	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-40	173	178.1	60	0	0	0	112.4	V483 L486 E487 K491 Y492 F493 L498 Y499 L511	V483-L495 HydrophobicContact CB-CD1 4.17Å; V483-L495 HydrophobicContact CG1-CD1 4.16Å; V483-L495 HydrophobicContact CG2-CD1 3.8Å; L486-L495 HydrophobicContact CB-CB 4.23Å; L486-L495 HydrophobicContact CD1-CB 4.07Å; L486-L495 HydrophobicContact CD1-CD1 4.14Å; E487-L495 HydrophobicContact CG-CD2 3.96Å; K491-L495 PolarHBondContact O-N 3.36Å; K491-L495 VanDerWaalsContact O-N 3.09Å; Y492-L495 WeakPolarHBondContact O-CB 3.37Å; Y492-L495 PolarHBondContact O-N 2.91Å; F493-L495 VanDerWaalsContact C-N 3.29Å; F493-L495 PolarHBondContact O-N 3.23Å; L495-L498 HydrophobicContact CD1-CD2 4.5Å; L495-L498 WeakPolarHBondContact O-CB 3.48Å; L495-L498 PolarHBondContact O-N 3.47Å; L495-Y499 HydrophobicContact CD1-CD2 4.22Å; L495-Y499 HydrophobicContact CD1-CE2 3.68Å; L495-Y499 HydrophobicContact CD2-CE2 4.23Å; L495-Y499 HydrophobicContact CG-CD2 4.12Å; L495-Y499 HydrophobicContact CG-CE2 3.69Å; L495-Y499 VanDerWaalsContact O-CD2 3.25Å; L495-Y499 WeakPolarHBondContact O-CD2 3.46Å; L495-Y499 PolarHBondContact O-N 2.96Å; L495-L511 HydrophobicContact CB-CD2 3.85Å; L495-L511 HydrophobicContact CD2-CD2 3.71Å; L495-L511 HydrophobicContact CG-CD2 3.65Å
496	G	83.4	Confident	83.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-38	174.5	0	0	0	0	0	112.9	Y492 F493 A494 Y499 H500 A508 W512	Y492-G496 PolarHBondContact O-N 2.89Å; F493-G496 WeakPolarHBondContact O-CA 3.15Å; F493-G496 PolarHBondContact O-N 3.48Å; F493-G496 VanDerWaalsContact O-N 3.08Å; A494-G496 VanDerWaalsContact C-N 3.32Å; A494-G496 PolarHBondContact O-N 3.27Å; G496-Y499 PolarHBondContact O-N 2.93Å; G496-H500 PolarHBondContact O-N 3Å; G496-A508 WeakPolarHBondContact O-CB 3.31Å; G496-W512 VanDerWaalsContact C-CZ2 3.46Å
497	L	83.9	Confident	83.2	Confident	10 Å²	10	47.4 Å²	47.4	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-45	172.4	-71.1	173.5	0	0	0	111.2	L468 L471 F493 A494 Y499 H500 F501 W512 Y531	L468-L497 HydrophobicContact CD2-CD1 3.88Å; L471-L497 HydrophobicContact CB-CB 4.21Å; F493-L497 HydrophobicContact CD1-CD1 4.24Å; F493-L497 HydrophobicContact CE1-CD1 3.72Å; F493-L497 HydrophobicContact CE1-CG 4.29Å; F493-L497 HydrophobicContact CZ-CD1 4.1Å; F493-L497 HydrophobicContact CZ-CD2 4.39Å; F493-L497 HydrophobicContact CZ-CG 4.26Å; F493-L497 PolarHBondContact O-N 3.11Å; A494-L497 WeakPolarHBondContact O-CB 3.5Å; A494-L497 PolarHBondContact O-N 3.39Å; L497-Y499 VanDerWaalsContact C-N 3.31Å; L497-Y499 PolarHBondContact O-N 3.33Å; L497-H500 WeakPolarHBondContact O-CB 3.33Å; L497-H500 PolarHBondContact O-N 3.48Å; L497-H500 VanDerWaalsContact O-N 3.08Å; L497-F501 WeakPolarHBondContact O-CD2 3.29Å; L497-F501 PolarHBondContact O-N 3.26Å; L497-W512 HydrophobicContact CD2-CZ2 4.07Å; L497-W512 HydrophobicContact CG-CZ2 4.36Å; L497-Y531 HydrophobicContact CD2-CE1 4.49Å; L497-Y531 WeakPolarHBondContact CD2-OH 3.2Å
498	L	84.8	Confident	83.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-43.1	176.6	-177.3	67.2	0	0	0	112	L456 L471 C477 L479 L486 A494 L495 H500 N502	L456-L498 HydrophobicContact CD1-CD1 4.41Å; L456-L498 HydrophobicContact CD1-CD2 4.41Å; L471-L498 HydrophobicContact CD2-CB 3.98Å; L471-L498 HydrophobicContact CD2-CD1 3.8Å; L471-L498 HydrophobicContact CD2-CG 4.44Å; C477-L498 HydrophobicContact CB-CD1 3.6Å; L479-L498 HydrophobicContact CD2-CD1 4.07Å; L479-L498 HydrophobicContact CD2-CD2 3.75Å; L479-L498 HydrophobicContact CD2-CG 3.55Å; L486-L498 HydrophobicContact CD1-CD2 4.13Å; A494-L498 PolarHBondContact O-N 3.14Å; L495-L498 HydrophobicContact CD1-CD2 4.5Å; L495-L498 WeakPolarHBondContact O-CB 3.48Å; L495-L498 PolarHBondContact O-N 3.47Å; L498-H500 VanDerWaalsContact C-N 3.34Å; L498-H500 PolarHBondContact O-N 3.31Å; L498-N502 PolarHBondContact O-N 3.46Å; L498-N502 PolarHBondContact O-OD1 3.39Å
499	Y	85.4	Confident	83	Confident	45 Å²	45	37 Å²	37	18%	0.176	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-38.7	174.6	-77	-54.6	0	0	0	112.9	V483 L495 G496 L497 N502 G503 Q504 A507	V483-Y499 HydrophobicContact CG2-CE1 4.41Å; L495-Y499 HydrophobicContact CD1-CD2 4.22Å; L495-Y499 HydrophobicContact CD1-CE2 3.68Å; L495-Y499 HydrophobicContact CD2-CE2 4.23Å; L495-Y499 HydrophobicContact CG-CD2 4.12Å; L495-Y499 HydrophobicContact CG-CE2 3.69Å; L495-Y499 VanDerWaalsContact O-CD2 3.25Å; L495-Y499 WeakPolarHBondContact O-CD2 3.46Å; L495-Y499 PolarHBondContact O-N 2.96Å; G496-Y499 PolarHBondContact O-N 2.93Å; L497-Y499 VanDerWaalsContact C-N 3.31Å; L497-Y499 PolarHBondContact O-N 3.33Å; Y499-N502 PolarHBondContact O-N 3.15Å; Y499-G503 PolarHBondContact O-N 3.28Å; Y499-Q504 HydrophobicContact CD1-CB 4.22Å; Y499-Q504 CarbonylContact O-C 3.57Å; Y499-Q504 WeakPolarHBondContact O-CA 3.25Å; Y499-Q504 WeakPolarHBondContact O-CB 3.4Å; Y499-Q504 PolarHBondContact O-N 3.31Å; Y499-A507 HydrophobicContact CD1-CB 4.35Å; Y499-A507 HydrophobicContact CD2-CB 4.41Å; Y499-A507 HydrophobicContact CG-CB 4.19Å
500	H	83.3	Confident	83.1	Confident	55 Å²	55	39.7 Å²	39.7	26%	0.255	21%	0.212	S	C	.	.	H	α-helix	trans	-62.5	-50.5	177.5	170.1	48.4	0	0	0	112.1	G496 L497 L498 N502 G503 D505 A508 W512 F535	G496-H500 PolarHBondContact O-N 3Å; L497-H500 WeakPolarHBondContact O-CB 3.33Å; L497-H500 PolarHBondContact O-N 3.48Å; L497-H500 VanDerWaalsContact O-N 3.08Å; L498-H500 VanDerWaalsContact C-N 3.34Å; L498-H500 PolarHBondContact O-N 3.31Å; H500-N502 PolarHBondContact O-N 3.5Å; H500-G503 PolarHBondContact O-N 3.11Å; H500-D505 IonicContact CE1-OD1 2.85Å; H500-D505 IonicContact CG-OD1 3.23Å; H500-D505 IonicContact ND1-OD1 3.93Å; H500-D505 PolarHBondContact ND1-OD1 3.31Å; H500-A508 HydrophobicContact CB-CB 4.35Å; H500-W512 HydrophobicContact CB-CH2 4.36Å; H500-F535 HydrophobicContact CB-CE2 4.37Å; H500-F535 AromaticContact CD2-CE2 3.8Å; H500-F535 AromaticContact CE1-CE2 3.42Å; H500-F535 VanDerWaalsContact CE1-CE2 3.42Å; H500-F535 WeakPolarHBondContact CE1-CE2 3.43Å; H500-F535 AromaticContact CE1-CZ 3.82Å; H500-F535 AromaticContact CG-CE2 3.57Å; H500-F535 AromaticContact CG-CZ 3.95Å; H500-F535 AromaticContact ND1-CE2 3.33Å; H500-F535 VanDerWaalsContact ND1-CE2 3.33Å; H500-F535 WeakPolarHBondContact ND1-CE2 3.29Å; H500-F535 AromaticContact ND1-CZ 3.43Å; H500-F535 WeakPolarHBondContact ND1-CZ 3.43Å; H500-F535 AromaticContact NE2-CE2 3.69Å
501	F	79.7	Confident	83.1	Confident	87 Å²	87	35 Å²	35	38%	0.382	19%	0.19	S	C	.	.	H	α-helix	trans	-66.3	-21.5	-178.8	-80.3	-84.7	0	0	0	113.3	L471 A472 L497 G503	L471-F501 WeakPolarHBondContact O-CD2 3.35Å; L471-F501 WeakPolarHBondContact O-CE2 3.46Å; L471-F501 WeakPolarHBondContact O-CG 3.38Å; A472-F501 WeakPolarHBondContact O-CE1 3.13Å; A472-F501 WeakPolarHBondContact O-CZ 3.43Å; L497-F501 WeakPolarHBondContact O-CD2 3.29Å; L497-F501 PolarHBondContact O-N 3.26Å; F501-G503 VanDerWaalsContact C-N 3.33Å
502	N	80.8	Confident	83.2	Confident	66 Å²	66	33.7 Å²	33.7	35%	0.353	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	12.4	172.3	-72	48.4	0	0	0	113.7	L479 L498 Y499 H500 Q504	L479-N502 HydrophobicContact CD1-CB 3.95Å; L479-N502 WeakPolarHBondContact CD1-ND2 3.44Å; L479-N502 HydrophobicContact CD2-CB 4.2Å; L479-N502 WeakPolarHBondContact CD2-ND2 3.45Å; L479-N502 HydrophobicContact CG-CB 4.43Å; L479-N502 WeakPolarHBondContact CG-ND2 3.45Å; L498-N502 PolarHBondContact O-N 3.46Å; L498-N502 PolarHBondContact O-OD1 3.39Å; Y499-N502 PolarHBondContact O-N 3.15Å; H500-N502 PolarHBondContact O-N 3.5Å; N502-Q504 PolarHBondContact O-N 3.33Å
503	G	79.1	Confident	83.2	Confident	62 Å²	62	32.7 Å²	32.7	64%	0.639	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	13.3	175.1	0	0	0	0	0	115.3	Y499 H500 F501	Y499-G503 PolarHBondContact O-N 3.28Å; H500-G503 PolarHBondContact O-N 3.11Å; F501-G503 VanDerWaalsContact C-N 3.33Å
504	Q	83.9	Confident	83.2	Confident	89 Å²	89	37.9 Å²	37.9	42%	0.416	20%	0.201	S	C	.	.			trans	-101.4	53	179.2	-59.6	-172.7	26.5	0	0	112.4	Y499 N502 A506 A507 A508	Y499-Q504 HydrophobicContact CD1-CB 4.22Å; Y499-Q504 CarbonylContact O-C 3.57Å; Y499-Q504 WeakPolarHBondContact O-CA 3.25Å; Y499-Q504 WeakPolarHBondContact O-CB 3.4Å; Y499-Q504 PolarHBondContact O-N 3.31Å; N502-Q504 PolarHBondContact O-N 3.33Å; Q504-A506 PolarHBondContact O-N 3.46Å; Q504-A506 VanDerWaalsContact O-N 3.13Å; Q504-A507 HydrophobicContact CB-CB 4.27Å; Q504-A507 PolarHBondContact O-N 3.14Å; Q504-A508 PolarHBondContact O-N 3.43Å
505	D	82.3	Confident	83.2	Confident	36 Å²	36	38.8 Å²	38.8	19%	0.193	21%	0.206	C	C	.	.	H	α-helix	trans	-54.6	-35.5	-175.7	-65.8	-16.9	0	0	0	114.1	H500 A507 A508 L509 F535 I544	H500-D505 IonicContact CE1-OD1 2.85Å; H500-D505 IonicContact CG-OD1 3.23Å; H500-D505 IonicContact ND1-OD1 3.93Å; H500-D505 PolarHBondContact ND1-OD1 3.31Å; D505-A507 VanDerWaalsContact C-N 3.33Å; D505-A507 PolarHBondContact O-N 3.37Å; D505-A508 PolarHBondContact O-N 3.21Å; D505-L509 WeakPolarHBondContact O-CG 3.22Å; D505-L509 PolarHBondContact O-N 3.47Å; D505-F535 HydrophobicContact CB-CE1 4.42Å; D505-F535 HydrophobicContact CB-CZ 4.23Å; D505-I544 HydrophobicContact CB-CD1 4.1Å
506	A	81.4	Confident	82.9	Confident	42 Å²	42	40.9 Å²	40.9	35%	0.347	22%	0.219	S	C	.	.	H	α-helix	trans	-68.6	-31.3	179.3	0	0	0	0	0	112.9	Q504 K510 I544	Q504-A506 PolarHBondContact O-N 3.46Å; Q504-A506 VanDerWaalsContact O-N 3.13Å; A506-K510 VanDerWaalsContact O-CG 3.29Å; A506-K510 WeakPolarHBondContact O-CG 3.49Å; A506-K510 PolarHBondContact O-N 2.9Å; A506-I544 HydrophobicContact CB-CD1 4.3Å
507	A	82.9	Confident	82.7	Confident	34 Å²	34	44 Å²	44	28%	0.281	24%	0.236	S	C	.	.	H	α-helix	trans	-75.4	-41.7	175.4	0	0	0	0	0	110.7	Y499 Q504 D505 K510 L511	Y499-A507 HydrophobicContact CD1-CB 4.35Å; Y499-A507 HydrophobicContact CD2-CB 4.41Å; Y499-A507 HydrophobicContact CG-CB 4.19Å; Q504-A507 HydrophobicContact CB-CB 4.27Å; Q504-A507 PolarHBondContact O-N 3.14Å; D505-A507 VanDerWaalsContact C-N 3.33Å; D505-A507 PolarHBondContact O-N 3.37Å; A507-K510 PolarHBondContact O-N 3.44Å; A507-L511 PolarHBondContact O-N 3.22Å; A507-L511 VanDerWaalsContact O-N 3.11Å
508	A	85.3	Confident	82.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.3	-50.7	174.4	0	0	0	0	0	112	G496 H500 Q504 D505 K510 L511 W512	G496-A508 WeakPolarHBondContact O-CB 3.31Å; H500-A508 HydrophobicContact CB-CB 4.35Å; Q504-A508 PolarHBondContact O-N 3.43Å; D505-A508 PolarHBondContact O-N 3.21Å; A508-K510 PolarHBondContact O-N 3.43Å; A508-L511 WeakPolarHBondContact O-CB 3.45Å; A508-L511 PolarHBondContact O-N 3.08Å; A508-L511 VanDerWaalsContact O-N 3.14Å; A508-W512 HydrophobicContact CB-CH2 4.08Å; A508-W512 HydrophobicContact CB-CZ2 4.21Å; A508-W512 HydrophobicContact CB-CZ3 4.25Å; A508-W512 PolarHBondContact O-N 2.95Å
509	L	83.4	Confident	81.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-42.3	179.9	-78.2	167.3	0	0	0	113	D505 L511 W512 I513 I532 F535 L536 I544 Y548	D505-L509 WeakPolarHBondContact O-CG 3.22Å; D505-L509 PolarHBondContact O-N 3.47Å; L509-L511 VanDerWaalsContact C-N 3.25Å; L509-L511 PolarHBondContact O-N 2.99Å; L509-W512 HydrophobicContact CD2-CE3 4.09Å; L509-W512 HydrophobicContact CD2-CZ3 4.39Å; L509-W512 PolarHBondContact O-N 2.87Å; L509-I513 VanDerWaalsContact O-CB 3.32Å; L509-I513 WeakPolarHBondContact O-CB 3.45Å; L509-I513 WeakPolarHBondContact O-CD1 3.47Å; L509-I513 WeakPolarHBondContact O-CG1 3.44Å; L509-I513 PolarHBondContact O-N 2.93Å; L509-I532 HydrophobicContact CD2-CG2 3.86Å; L509-F535 HydrophobicContact CD1-CD1 4.43Å; L509-F535 HydrophobicContact CD1-CE1 4.11Å; L509-F535 HydrophobicContact CD2-CD1 3.9Å; L509-F535 HydrophobicContact CD2-CE1 4.22Å; L509-F535 HydrophobicContact CG-CD1 4.25Å; L509-F535 HydrophobicContact CG-CE1 4.05Å; L509-L536 HydrophobicContact CD1-CD2 3.76Å; L509-L536 HydrophobicContact CD2-CD2 4.03Å; L509-L536 HydrophobicContact CD2-CG 4.23Å; L509-I544 HydrophobicContact CD1-CG2 3.19Å; L509-Y548 HydrophobicContact CB-CD2 4.47Å; L509-Y548 HydrophobicContact CB-CE2 4.22Å; L509-Y548 HydrophobicContact CD1-CD2 3.84Å; L509-Y548 HydrophobicContact CD1-CE2 4.06Å
510	K	85	Confident	81.2	Confident	120 Å²	120	51.2 Å²	51.2	52%	0.522	29%	0.287	S	S	.	.	H	α-helix	trans	-57.8	-42.7	174.7	-76.6	175.5	-176.1	178	0	111.2	A506 A507 A508 R514 Y548	A506-K510 VanDerWaalsContact O-CG 3.29Å; A506-K510 WeakPolarHBondContact O-CG 3.49Å; A506-K510 PolarHBondContact O-N 2.9Å; A507-K510 PolarHBondContact O-N 3.44Å; A508-K510 PolarHBondContact O-N 3.43Å; K510-R514 WeakPolarHBondContact O-CG 3.44Å; K510-R514 PolarHBondContact O-N 3.4Å; K510-R514 VanDerWaalsContact O-N 3.16Å; K510-Y548 WeakPolarHBondContact CG-OH 3.37Å
511	L	84.3	Confident	80.5	Confident	19 Å²	19	57.1 Å²	57.1	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-67.6	-47.1	-179.4	-168.3	66.7	0	0	0	111.3	Y492 L495 A507 A508 L509 I513 R514 I515 L520	Y492-L511 HydrophobicContact CD1-CD1 4.36Å; Y492-L511 WeakPolarHBondContact O-CD2 3.43Å; L495-L511 HydrophobicContact CB-CD2 3.85Å; L495-L511 HydrophobicContact CD2-CD2 3.71Å; L495-L511 HydrophobicContact CG-CD2 3.65Å; A507-L511 PolarHBondContact O-N 3.22Å; A507-L511 VanDerWaalsContact O-N 3.11Å; A508-L511 WeakPolarHBondContact O-CB 3.45Å; A508-L511 PolarHBondContact O-N 3.08Å; A508-L511 VanDerWaalsContact O-N 3.14Å; L509-L511 VanDerWaalsContact C-N 3.25Å; L509-L511 PolarHBondContact O-N 2.99Å; L511-I513 PolarHBondContact O-N 3.4Å; L511-R514 PolarHBondContact O-N 3.17Å; L511-I515 WeakPolarHBondContact O-CG1 3.06Å; L511-I515 PolarHBondContact O-N 3.4Å; L511-L520 HydrophobicContact CD1-CD1 3.66Å
512	W	84.9	Confident	80.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-38.1	178.1	-61.9	-30.5	0	0	0	113.1	F493 G496 L497 H500 A508 L509 R514 I515 V516 L528 Y531 I532 F535	F493-W512 AromaticContact CD2-CD1 3.85Å; F493-W512 AromaticContact CD2-NE1 3.55Å; F493-W512 AromaticContact CE2-NE1 3.92Å; F493-W512 PolarHBondContact O-NE1 3.42Å; G496-W512 VanDerWaalsContact C-CZ2 3.46Å; L497-W512 HydrophobicContact CD2-CZ2 4.07Å; L497-W512 HydrophobicContact CG-CZ2 4.36Å; H500-W512 HydrophobicContact CB-CH2 4.36Å; A508-W512 HydrophobicContact CB-CH2 4.08Å; A508-W512 HydrophobicContact CB-CZ2 4.21Å; A508-W512 HydrophobicContact CB-CZ3 4.25Å; A508-W512 PolarHBondContact O-N 2.95Å; L509-W512 HydrophobicContact CD2-CE3 4.09Å; L509-W512 HydrophobicContact CD2-CZ3 4.39Å; L509-W512 PolarHBondContact O-N 2.87Å; W512-R514 VanDerWaalsContact C-N 3.35Å; W512-R514 PolarHBondContact O-N 3.11Å; W512-I515 WeakPolarHBondContact O-CB 3.2Å; W512-I515 PolarHBondContact O-N 3.43Å; W512-V516 WeakPolarHBondContact O-CG2 3.4Å; W512-V516 PolarHBondContact O-N 3.13Å; W512-L528 HydrophobicContact CB-CD1 4.35Å; W512-L528 HydrophobicContact CB-CD2 4.49Å; W512-L528 HydrophobicContact CG-CD1 4.26Å; W512-Y531 HydrophobicContact CE3-CE1 4.44Å; W512-Y531 AromaticContact CH2-CE1 3.76Å; W512-Y531 HydrophobicContact CH2-CE1 3.76Å; W512-Y531 AromaticContact CZ2-CE1 3.94Å; W512-Y531 HydrophobicContact CZ2-CE1 3.94Å; W512-Y531 HydrophobicContact CZ3-CE1 4.02Å; W512-I532 HydrophobicContact CB-CD1 3.69Å; W512-I532 HydrophobicContact CB-CG1 3.85Å; W512-I532 HydrophobicContact CE3-CG1 4.25Å; W512-F535 HydrophobicContact CH2-CD2 4.07Å; W512-F535 HydrophobicContact CH2-CE2 4.05Å; W512-F535 HydrophobicContact CH2-CG 4.45Å; W512-F535 HydrophobicContact CH2-CZ 4.41Å; W512-F535 HydrophobicContact CZ3-CB 4.45Å; W512-F535 AromaticContact CZ3-CD1 3.95Å; W512-F535 HydrophobicContact CZ3-CD1 3.95Å; W512-F535 AromaticContact CZ3-CD2 3.92Å; W512-F535 HydrophobicContact CZ3-CD2 3.92Å; W512-F535 HydrophobicContact CZ3-CE1 4.13Å; W512-F535 HydrophobicContact CZ3-CE2 4.09Å; W512-F535 AromaticContact CZ3-CG 3.83Å; W512-F535 HydrophobicContact CZ3-CG 3.83Å; W512-F535 HydrophobicContact CZ3-CZ 4.19Å
513	I	82.8	Confident	79.4	Confident	17 Å²	17	56.5 Å²	56.5	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-43.5	175	-73	164.8	0	0	0	110.8	L509 L511 I515 V516 D517 Y548 W551	L509-I513 VanDerWaalsContact O-CB 3.32Å; L509-I513 WeakPolarHBondContact O-CB 3.45Å; L509-I513 WeakPolarHBondContact O-CD1 3.47Å; L509-I513 WeakPolarHBondContact O-CG1 3.44Å; L509-I513 PolarHBondContact O-N 2.93Å; L511-I513 PolarHBondContact O-N 3.4Å; I513-I515 VanDerWaalsContact C-N 3.25Å; I513-I515 PolarHBondContact O-N 3.01Å; I513-V516 PolarHBondContact O-N 3.49Å; I513-V516 VanDerWaalsContact O-N 3.14Å; I513-D517 VanDerWaalsContact CG2-OD2 3.3Å; I513-D517 WeakPolarHBondContact CG2-OD2 3.43Å; I513-D517 WeakPolarHBondContact O-CB 3.47Å; I513-D517 PolarHBondContact O-N 3.37Å; I513-Y548 HydrophobicContact CD1-CD1 3.17Å; I513-Y548 HydrophobicContact CD1-CE1 3.36Å; I513-Y548 HydrophobicContact CD1-CG 4.08Å; I513-W551 HydrophobicContact CB-CZ2 4.36Å; I513-W551 HydrophobicContact CD1-CD2 4.4Å; I513-W551 HydrophobicContact CD1-CE3 4.48Å; I513-W551 HydrophobicContact CG1-CD2 4.17Å; I513-W551 HydrophobicContact CG1-CE3 4.26Å; I513-W551 HydrophobicContact CG1-CH2 4.08Å; I513-W551 HydrophobicContact CG1-CZ2 3.98Å; I513-W551 HydrophobicContact CG1-CZ3 4.23Å; I513-W551 HydrophobicContact CG2-CD2 4.49Å; I513-W551 HydrophobicContact CG2-CZ2 4.14Å
514	R	83.1	Confident	78.9	Confident	111 Å²	111	55.6 Å²	55.6	42%	0.419	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-31.1	177	-69.6	175.9	70.8	-155.4	-4	112.9	K510 L511 W512 G518 E519 L520	K510-R514 WeakPolarHBondContact O-CG 3.44Å; K510-R514 PolarHBondContact O-N 3.4Å; K510-R514 VanDerWaalsContact O-N 3.16Å; L511-R514 PolarHBondContact O-N 3.17Å; W512-R514 VanDerWaalsContact C-N 3.35Å; W512-R514 PolarHBondContact O-N 3.11Å; R514-G518 PolarHBondContact O-N 2.79Å; R514-E519 HydrophobicContact CB-CB 4.26Å; R514-E519 VanDerWaalsContact CG-OE2 3.3Å; R514-E519 WeakPolarHBondContact CG-OE2 3.46Å; R514-E519 IonicContact CZ-OE2 2.59Å; R514-E519 IonicContact NE-OE2 3.83Å; R514-E519 PolarHBondContact NE-OE2 3.05Å; R514-E519 IonicContact NH2-OE2 3.83Å; R514-E519 WeakPolarHBondContact O-CB 3.2Å; R514-E519 PolarHBondContact O-N 3.3Å; R514-L520 HydrophobicContact CB-CD1 4.02Å; R514-L520 HydrophobicContact CB-CG 4.33Å; R514-L520 PolarHBondContact O-N 2.79Å
515	I	82.4	Confident	78.1	Confident	20 Å²	20	55.8 Å²	55.8	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-68.8	-47.8	172.4	-59.9	166.2	0	0	0	110.2	L511 W512 I513 D517 G518 L520 D522 L528	L511-I515 WeakPolarHBondContact O-CG1 3.06Å; L511-I515 PolarHBondContact O-N 3.4Å; W512-I515 WeakPolarHBondContact O-CB 3.2Å; W512-I515 PolarHBondContact O-N 3.43Å; I513-I515 VanDerWaalsContact C-N 3.25Å; I513-I515 PolarHBondContact O-N 3.01Å; I515-D517 PolarHBondContact O-N 3.14Å; I515-G518 PolarHBondContact O-N 3.46Å; I515-G518 VanDerWaalsContact O-N 3.07Å; I515-L520 HydrophobicContact CG1-CB 3.97Å; I515-L520 HydrophobicContact CG1-CD1 4.45Å; I515-D522 HydrophobicContact CD1-CB 4.28Å; I515-D522 HydrophobicContact CG2-CB 4.12Å; I515-L528 HydrophobicContact CB-CD2 3.65Å; I515-L528 HydrophobicContact CD1-CD2 4.11Å; I515-L528 HydrophobicContact CG2-CD2 3.48Å; I515-L528 VanDerWaalsContact CG2-CD2 3.48Å
516	V	79.2	Confident	77.4	Confident	45 Å²	45	60.3 Å²	60.3	27%	0.273	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-35.6	-179.3	174.9	0	0	0	0	112.7	W512 I513 G518 L528 Y529 I532 W551	W512-V516 WeakPolarHBondContact O-CG2 3.4Å; W512-V516 PolarHBondContact O-N 3.13Å; I513-V516 PolarHBondContact O-N 3.49Å; I513-V516 VanDerWaalsContact O-N 3.14Å; V516-G518 PolarHBondContact O-N 3.18Å; V516-L528 HydrophobicContact CG2-CB 4.11Å; V516-L528 HydrophobicContact CG2-CD2 3.75Å; V516-L528 HydrophobicContact CG2-CG 3.75Å; V516-Y529 HydrophobicContact CG1-CD2 4.25Å; V516-I532 HydrophobicContact CG2-CD1 3.65Å; V516-W551 HydrophobicContact CB-CH2 4.3Å; V516-W551 HydrophobicContact CB-CZ2 4.03Å; V516-W551 HydrophobicContact CG1-CH2 4.06Å; V516-W551 HydrophobicContact CG1-CZ2 3.78Å
517	D	78.6	Confident	77.1	Confident	66 Å²	66	61.3 Å²	61.3	35%	0.353	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4	174.7	-74.1	-30.8	0	0	0	112.8	I513 I515 W551 K555	I513-D517 VanDerWaalsContact CG2-OD2 3.3Å; I513-D517 WeakPolarHBondContact CG2-OD2 3.43Å; I513-D517 WeakPolarHBondContact O-CB 3.47Å; I513-D517 PolarHBondContact O-N 3.37Å; I515-D517 PolarHBondContact O-N 3.14Å; D517-W551 PolarHBondContact OD2-NE1 2.99Å; D517-K555 WeakPolarHBondContact OD1-CE 3.41Å; D517-K555 IonicContact OD1-NZ 2.72Å; D517-K555 PolarHBondContact OD1-NZ 3.2Å
518	G	72.3	Confident	76.9	Confident	57 Å²	57	60.1 Å²	60.1	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	10	174.4	0	0	0	0	0	114.7	R514 I515 V516 L520	R514-G518 PolarHBondContact O-N 2.79Å; I515-G518 PolarHBondContact O-N 3.46Å; I515-G518 VanDerWaalsContact O-N 3.07Å; V516-G518 PolarHBondContact O-N 3.18Å; G518-L520 VanDerWaalsContact C-N 3.31Å
519	E	75.8	Confident	76.5	Confident	123 Å²	123	62.2 Å²	62.2	58%	0.575	33%	0.334	S	S	*	.	S	Bend	trans	-71.8	-27.9	175	-59.9	-173.8	175.8	0	0	112.4	R514	R514-E519 HydrophobicContact CB-CB 4.26Å; R514-E519 VanDerWaalsContact CG-OE2 3.3Å; R514-E519 WeakPolarHBondContact CG-OE2 3.46Å; R514-E519 IonicContact CZ-OE2 2.59Å; R514-E519 IonicContact NE-OE2 3.83Å; R514-E519 PolarHBondContact NE-OE2 3.05Å; R514-E519 IonicContact NH2-OE2 3.83Å; R514-E519 WeakPolarHBondContact O-CB 3.2Å; R514-E519 PolarHBondContact O-N 3.3Å
520	L	75.8	Confident	76.4	Confident	27 Å²	27	66.7 Å²	66.7	14%	0.141	36%	0.355	C	S	.	.	S	Bend	trans	-125.9	135	178	-64.1	173.9	0	0	0	109.2	Y492 L511 R514 I515 G518	Y492-L520 HydrophobicContact CD1-CD1 4.28Å; Y492-L520 HydrophobicContact CD2-CB 4.38Å; Y492-L520 HydrophobicContact CE1-CD2 4.49Å; Y492-L520 HydrophobicContact CE2-CD2 4.44Å; Y492-L520 HydrophobicContact CG-CD1 4.33Å; L511-L520 HydrophobicContact CD1-CD1 3.66Å; R514-L520 HydrophobicContact CB-CD1 4.02Å; R514-L520 HydrophobicContact CB-CG 4.33Å; R514-L520 PolarHBondContact O-N 2.79Å; I515-L520 HydrophobicContact CG1-CB 3.97Å; I515-L520 HydrophobicContact CG1-CD1 4.45Å; G518-L520 VanDerWaalsContact C-N 3.31Å
521	Q	67.5	Low	76.2	Confident	178 Å²	178	63.5 Å²	63.5	83%	0.832	34%	0.34	S	S	*	.			trans	-96.1	121.5	175	-67.3	-174.7	-3.9	0	0	109.6
522	D	72.1	Confident	76	Confident	25 Å²	25	62.6 Å²	62.6	13%	0.134	34%	0.335	C	S	.	.			trans	-138.6	123.7	172	-166.8	-32.9	0	0	0	108.6	Y492 F493 I515 T524	Y492-D522 WeakPolarHBondContact CA-OD2 3.44Å; Y492-D522 HydrophobicContact CD2-CB 4.47Å; Y492-D522 PolarHBondContact N-OD2 3.42Å; F493-D522 PolarHBondContact N-OD2 2.9Å; I515-D522 HydrophobicContact CD1-CB 4.28Å; I515-D522 HydrophobicContact CG2-CB 4.12Å; D522-T524 VanDerWaalsContact CG-OG1 3.23Å; D522-T524 WeakPolarHBondContact OD1-CB 3.22Å; D522-T524 WeakPolarHBondContact OD1-CG2 3.09Å; D522-T524 PolarHBondContact OD1-N 3.4Å; D522-T524 PolarHBondContact OD1-OG1 2.99Å; D522-T524 PolarHBondContact OD2-OG1 3.47Å
523	S	65.8	Low	75.8	Confident	115 Å²	115	62.6 Å²	62.6	80%	0.804	34%	0.335	S	S	*	.			trans	-92.6	0.4	-178.6	55.9	0	0	0	0	113.7	R525	S523-R525 VanDerWaalsContact C-N 3.27Å; S523-R525 PolarHBondContact O-N 3.45Å
524	T	67.6	Low	75.7	Confident	43 Å²	43	64.7 Å²	64.7	26%	0.264	35%	0.347	S	S	.	.	S	Bend	trans	-64	-28.8	-176	51.1	0	0	0	0	113.5	K491 F493 D522	K491-T524 HydrophobicContact CD-CG2 3.91Å; F493-T524 VanDerWaalsContact CB-OG1 3.23Å; F493-T524 WeakPolarHBondContact CB-OG1 3.46Å; D522-T524 VanDerWaalsContact CG-OG1 3.23Å; D522-T524 WeakPolarHBondContact OD1-CB 3.22Å; D522-T524 WeakPolarHBondContact OD1-CG2 3.09Å; D522-T524 PolarHBondContact OD1-N 3.4Å; D522-T524 PolarHBondContact OD1-OG1 2.99Å; D522-T524 PolarHBondContact OD2-OG1 3.47Å
525	R	68.6	Low	75.5	Confident	94 Å²	94	60.3 Å²	60.3	36%	0.355	33%	0.331	S	S	.	.			trans	-153	130.4	-175.5	-164.2	162.5	-169.7	160.8	2.2	113.4	F493 S523 D527	F493-R525 HydrophobicContact CD1-CB 4.46Å; S523-R525 VanDerWaalsContact C-N 3.27Å; S523-R525 PolarHBondContact O-N 3.45Å; R525-D527 WeakPolarHBondContact CD-OD1 3.5Å; R525-D527 WeakPolarHBondContact CG-OD1 3.47Å; R525-D527 IonicContact CZ-OD1 3.87Å; R525-D527 IonicContact CZ-OD2 2.74Å; R525-D527 IonicContact NE-OD1 2.72Å; R525-D527 PolarHBondContact NE-OD1 2.86Å; R525-D527 IonicContact NE-OD2 3.32Å; R525-D527 PolarHBondContact NE-OD2 3.45Å; R525-D527 VanDerWaalsContact NE-OD2 3.09Å; R525-D527 IonicContact NH2-OD1 2.65Å; R525-D527 IonicContact NH2-OD2 2.91Å; R525-D527 PolarHBondContact NH2-OD2 3.44Å
526	S	67.1	Low	75.4	Confident	131 Å²	131	59.4 Å²	59.4	92%	0.916	33%	0.326	S	S	*	.	S	Bend	trans	-90.7	-25.4	-180	52.2	0	0	0	0	113.9	L528	S526-L528 VanDerWaalsContact C-N 3.33Å; S526-L528 PolarHBondContact O-N 3.35Å
527	D	74.8	Confident	75.3	Confident	63 Å²	63	57.4 Å²	57.4	34%	0.337	31%	0.314	S	S	.	.			trans	-92.2	23.8	-179.3	61.3	-44.5	0	0	0	113.6	R525 Y529 E530 Y531	R525-D527 WeakPolarHBondContact CD-OD1 3.5Å; R525-D527 WeakPolarHBondContact CG-OD1 3.47Å; R525-D527 IonicContact CZ-OD1 3.87Å; R525-D527 IonicContact CZ-OD2 2.74Å; R525-D527 IonicContact NE-OD1 2.72Å; R525-D527 PolarHBondContact NE-OD1 2.86Å; R525-D527 IonicContact NE-OD2 3.32Å; R525-D527 PolarHBondContact NE-OD2 3.45Å; R525-D527 VanDerWaalsContact NE-OD2 3.09Å; R525-D527 IonicContact NH2-OD1 2.65Å; R525-D527 IonicContact NH2-OD2 2.91Å; R525-D527 PolarHBondContact NH2-OD2 3.44Å; D527-Y529 PolarHBondContact O-N 3.33Å; D527-Y529 VanDerWaalsContact O-N 3.16Å; D527-E530 PolarHBondContact O-N 3.2Å; D527-E530 VanDerWaalsContact O-N 3.1Å; D527-Y531 PolarHBondContact O-N 3.09Å
528	L	78.4	Confident	75.1	Confident	9 Å²	9	57.5 Å²	57.5	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-34.8	-173.5	-175.6	59.4	0	0	0	113.4	F493 W512 I515 V516 S526 Y531 I532	F493-L528 HydrophobicContact CD2-CD1 3.37Å; F493-L528 HydrophobicContact CE2-CD1 3.41Å; F493-L528 VanDerWaalsContact CE2-CD1 3.41Å; W512-L528 HydrophobicContact CB-CD1 4.35Å; W512-L528 HydrophobicContact CB-CD2 4.49Å; W512-L528 HydrophobicContact CG-CD1 4.26Å; I515-L528 HydrophobicContact CB-CD2 3.65Å; I515-L528 HydrophobicContact CD1-CD2 4.11Å; I515-L528 HydrophobicContact CG2-CD2 3.48Å; I515-L528 VanDerWaalsContact CG2-CD2 3.48Å; V516-L528 HydrophobicContact CG2-CB 4.11Å; V516-L528 HydrophobicContact CG2-CD2 3.75Å; V516-L528 HydrophobicContact CG2-CG 3.75Å; S526-L528 VanDerWaalsContact C-N 3.33Å; S526-L528 PolarHBondContact O-N 3.35Å; L528-Y531 HydrophobicContact CD1-CD1 4.29Å; L528-Y531 PolarHBondContact O-N 3.16Å; L528-I532 HydrophobicContact CD1-CG1 4.4Å; L528-I532 HydrophobicContact CG-CD1 4.13Å; L528-I532 HydrophobicContact CG-CG1 4.46Å; L528-I532 VanDerWaalsContact O-CG1 3.26Å; L528-I532 WeakPolarHBondContact O-CG1 3.46Å; L528-I532 PolarHBondContact O-N 3.07Å
529	Y	77.4	Confident	75.2	Confident	44 Å²	44	55.1 Å²	55.1	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-44.7	177.1	177.8	-104.8	0	0	0	112.5	V516 D527 Y531 I532 V533 W551 A552 K555 D556 T559	V516-Y529 HydrophobicContact CG1-CD2 4.25Å; D527-Y529 PolarHBondContact O-N 3.33Å; D527-Y529 VanDerWaalsContact O-N 3.16Å; Y529-Y531 VanDerWaalsContact C-N 3.32Å; Y529-Y531 PolarHBondContact O-N 3.45Å; Y529-I532 PolarHBondContact O-N 3.26Å; Y529-V533 HydrophobicContact CE1-CG2 4.44Å; Y529-V533 WeakPolarHBondContact O-CG2 3.43Å; Y529-V533 PolarHBondContact O-N 3.28Å; Y529-V533 VanDerWaalsContact O-N 3.15Å; Y529-W551 AromaticContact CD2-CH2 3.81Å; Y529-W551 HydrophobicContact CD2-CH2 3.81Å; Y529-W551 HydrophobicContact CD2-CZ3 4.21Å; Y529-W551 HydrophobicContact CE2-CH2 4.07Å; Y529-W551 HydrophobicContact CE2-CZ3 4.11Å; Y529-A552 PolarHBondContact OH-O 3.32Å; Y529-K555 HydrophobicContact CE2-CB 3.97Å; Y529-D556 HydrophobicContact CE1-CB 3.99Å; Y529-D556 WeakPolarHBondContact OH-CB 3.3Å; Y529-D556 PolarHBondContact OH-N 3.4Å; Y529-D556 PolarHBondContact OH-O 2.96Å; Y529-T559 HydrophobicContact CD1-CG2 4.25Å; Y529-T559 HydrophobicContact CE1-CG2 3.76Å
530	E	80.2	Confident	75	Confident	93 Å²	93	54.1 Å²	54.1	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-39.1	175.4	-68.5	-160.3	-143.6	0	0	111.5	D527 V533 D534 T559 R562	D527-E530 PolarHBondContact O-N 3.2Å; D527-E530 VanDerWaalsContact O-N 3.1Å; E530-V533 PolarHBondContact O-N 3.31Å; E530-D534 PolarHBondContact O-N 3.14Å; E530-T559 HydrophobicContact CG-CG2 4.33Å; E530-R562 IonicContact OE2-NH1 3.7Å; E530-R562 PolarHBondContact OE2-NH1 3.42Å
531	Y	80.8	Confident	75	Confident	54 Å²	54	54.8 Å²	54.8	21%	0.212	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-44.9	176.2	-179.4	-94.3	0	0	0	112.5	F493 L497 W512 D527 L528 Y529 V533 D534 F535	F493-Y531 AromaticContact CE2-CD1 3.84Å; F493-Y531 HydrophobicContact CE2-CD1 3.84Å; F493-Y531 AromaticContact CE2-CE1 3.87Å; F493-Y531 HydrophobicContact CE2-CE1 3.87Å; F493-Y531 HydrophobicContact CE2-CG 4.47Å; F493-Y531 HydrophobicContact CZ-CD1 4.24Å; F493-Y531 HydrophobicContact CZ-CE1 4.11Å; L497-Y531 HydrophobicContact CD2-CE1 4.49Å; L497-Y531 WeakPolarHBondContact CD2-OH 3.2Å; W512-Y531 HydrophobicContact CE3-CE1 4.44Å; W512-Y531 AromaticContact CH2-CE1 3.76Å; W512-Y531 HydrophobicContact CH2-CE1 3.76Å; W512-Y531 AromaticContact CZ2-CE1 3.94Å; W512-Y531 HydrophobicContact CZ2-CE1 3.94Å; W512-Y531 HydrophobicContact CZ3-CE1 4.02Å; D527-Y531 PolarHBondContact O-N 3.09Å; L528-Y531 HydrophobicContact CD1-CD1 4.29Å; L528-Y531 PolarHBondContact O-N 3.16Å; Y529-Y531 VanDerWaalsContact C-N 3.32Å; Y529-Y531 PolarHBondContact O-N 3.45Å; Y531-V533 VanDerWaalsContact C-N 3.29Å; Y531-V533 PolarHBondContact O-N 2.94Å; Y531-D534 PolarHBondContact O-N 3.45Å; Y531-F535 VanDerWaalsContact O-CB 3.3Å; Y531-F535 WeakPolarHBondContact O-CB 3.28Å; Y531-F535 PolarHBondContact O-N 3.1Å
532	I	81.3	Confident	75.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-40.8	176.3	-66.3	163.7	0	0	0	110.6	L509 W512 V516 L528 Y529 F535 L536 W551	L509-I532 HydrophobicContact CD2-CG2 3.86Å; W512-I532 HydrophobicContact CB-CD1 3.69Å; W512-I532 HydrophobicContact CB-CG1 3.85Å; W512-I532 HydrophobicContact CE3-CG1 4.25Å; V516-I532 HydrophobicContact CG2-CD1 3.65Å; L528-I532 HydrophobicContact CD1-CG1 4.4Å; L528-I532 HydrophobicContact CG-CD1 4.13Å; L528-I532 HydrophobicContact CG-CG1 4.46Å; L528-I532 VanDerWaalsContact O-CG1 3.26Å; L528-I532 WeakPolarHBondContact O-CG1 3.46Å; L528-I532 PolarHBondContact O-N 3.07Å; Y529-I532 PolarHBondContact O-N 3.26Å; I532-F535 WeakPolarHBondContact O-CB 3.49Å; I532-F535 PolarHBondContact O-N 3.45Å; I532-L536 HydrophobicContact CG2-CD1 4.02Å; I532-L536 HydrophobicContact CG2-CG 4.39Å; I532-L536 WeakPolarHBondContact O-CB 3.23Å; I532-L536 VanDerWaalsContact O-CG 3.31Å; I532-L536 WeakPolarHBondContact O-CG 3.38Å; I532-L536 PolarHBondContact O-N 3.07Å; I532-W551 HydrophobicContact CD1-CH2 3.88Å; I532-W551 HydrophobicContact CD1-CZ3 4.4Å; I532-W551 HydrophobicContact CG2-CH2 4.4Å; I532-W551 HydrophobicContact CG2-CZ3 3.85Å
533	V	80.7	Confident	75.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-44.8	177.9	164.9	0	0	0	0	111.4	Y529 E530 Y531 F535 L536 C537 A552 T559 R562 I563	Y529-V533 HydrophobicContact CE1-CG2 4.44Å; Y529-V533 WeakPolarHBondContact O-CG2 3.43Å; Y529-V533 PolarHBondContact O-N 3.28Å; Y529-V533 VanDerWaalsContact O-N 3.15Å; E530-V533 PolarHBondContact O-N 3.31Å; Y531-V533 VanDerWaalsContact C-N 3.29Å; Y531-V533 PolarHBondContact O-N 2.94Å; V533-F535 VanDerWaalsContact C-N 3.33Å; V533-L536 PolarHBondContact O-N 3.3Å; V533-C537 VanDerWaalsContact O-CB 3.3Å; V533-C537 WeakPolarHBondContact O-CB 3.17Å; V533-C537 PolarHBondContact O-N 3.45Å; V533-A552 HydrophobicContact CG2-CB 4.48Å; V533-T559 HydrophobicContact CB-CG2 4.39Å; V533-T559 HydrophobicContact CG1-CG2 4.2Å; V533-T559 WeakPolarHBondContact CG1-O 3.39Å; V533-T559 HydrophobicContact CG2-CG2 4.18Å; V533-R562 HydrophobicContact CG1-CB 3.86Å; V533-I563 HydrophobicContact CG1-CG1 3.95Å
534	D	79.9	Confident	76.2	Confident	60 Å²	60	51.2 Å²	51.2	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-33.4	176.8	-73.6	-22.3	0	0	0	111.9	E530 Y531 C537 C538 R562	E530-D534 PolarHBondContact O-N 3.14Å; Y531-D534 PolarHBondContact O-N 3.45Å; D534-C537 WeakPolarHBondContact O-CB 3.32Å; D534-C537 PolarHBondContact O-N 3.37Å; D534-C538 WeakPolarHBondContact O-CB 3.2Å; D534-C538 PolarHBondContact O-N 3.38Å; D534-C538 PolarHBondContact O-SG 3.25Å; D534-R562 IonicContact OD1-CZ 3.71Å; D534-R562 IonicContact OD1-NE 2.64Å; D534-R562 IonicContact OD1-NH2 3.33Å; D534-R562 PolarHBondContact OD1-NH2 2.89Å; D534-R562 IonicContact OD2-NH2 3.02Å; D534-R562 PolarHBondContact OD2-NH2 3.36Å
535	F	80.3	Confident	76.8	Confident	20 Å²	20	49.1 Å²	49.1	9%	0.088	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-49.1	172.2	-177.6	-91.7	0	0	0	111.9	H500 D505 L509 W512 Y531 I532 V533 C537 C538 S539	H500-F535 HydrophobicContact CB-CE2 4.37Å; H500-F535 AromaticContact CD2-CE2 3.8Å; H500-F535 AromaticContact CE1-CE2 3.42Å; H500-F535 VanDerWaalsContact CE1-CE2 3.42Å; H500-F535 WeakPolarHBondContact CE1-CE2 3.43Å; H500-F535 AromaticContact CE1-CZ 3.82Å; H500-F535 AromaticContact CG-CE2 3.57Å; H500-F535 AromaticContact CG-CZ 3.95Å; H500-F535 AromaticContact ND1-CE2 3.33Å; H500-F535 VanDerWaalsContact ND1-CE2 3.33Å; H500-F535 WeakPolarHBondContact ND1-CE2 3.29Å; H500-F535 AromaticContact ND1-CZ 3.43Å; H500-F535 WeakPolarHBondContact ND1-CZ 3.43Å; H500-F535 AromaticContact NE2-CE2 3.69Å; D505-F535 HydrophobicContact CB-CE1 4.42Å; D505-F535 HydrophobicContact CB-CZ 4.23Å; L509-F535 HydrophobicContact CD1-CD1 4.43Å; L509-F535 HydrophobicContact CD1-CE1 4.11Å; L509-F535 HydrophobicContact CD2-CD1 3.9Å; L509-F535 HydrophobicContact CD2-CE1 4.22Å; L509-F535 HydrophobicContact CG-CD1 4.25Å; L509-F535 HydrophobicContact CG-CE1 4.05Å; W512-F535 HydrophobicContact CH2-CD2 4.07Å; W512-F535 HydrophobicContact CH2-CE2 4.05Å; W512-F535 HydrophobicContact CH2-CG 4.45Å; W512-F535 HydrophobicContact CH2-CZ 4.41Å; W512-F535 HydrophobicContact CZ3-CB 4.45Å; W512-F535 AromaticContact CZ3-CD1 3.95Å; W512-F535 HydrophobicContact CZ3-CD1 3.95Å; W512-F535 AromaticContact CZ3-CD2 3.92Å; W512-F535 HydrophobicContact CZ3-CD2 3.92Å; W512-F535 HydrophobicContact CZ3-CE1 4.13Å; W512-F535 HydrophobicContact CZ3-CE2 4.09Å; W512-F535 AromaticContact CZ3-CG 3.83Å; W512-F535 HydrophobicContact CZ3-CG 3.83Å; W512-F535 HydrophobicContact CZ3-CZ 4.19Å; Y531-F535 VanDerWaalsContact O-CB 3.3Å; Y531-F535 WeakPolarHBondContact O-CB 3.28Å; Y531-F535 PolarHBondContact O-N 3.1Å; I532-F535 WeakPolarHBondContact O-CB 3.49Å; I532-F535 PolarHBondContact O-N 3.45Å; V533-F535 VanDerWaalsContact C-N 3.33Å; F535-C537 VanDerWaalsContact C-N 3.29Å; F535-C537 PolarHBondContact O-N 3.16Å; F535-C538 CarbonylContact O-C 3.57Å; F535-C538 PolarHBondContact O-N 3.17Å; F535-C538 VanDerWaalsContact O-N 3.14Å; F535-S539 PolarHBondContact O-N 2.73Å
536	L	79.9	Confident	77.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-36.9	175.8	-71.4	172.2	0	0	0	111.7	L509 I532 V533 C538 S539 I544 V545 I563	L509-L536 HydrophobicContact CD1-CD2 3.76Å; L509-L536 HydrophobicContact CD2-CD2 4.03Å; L509-L536 HydrophobicContact CD2-CG 4.23Å; I532-L536 HydrophobicContact CG2-CD1 4.02Å; I532-L536 HydrophobicContact CG2-CG 4.39Å; I532-L536 WeakPolarHBondContact O-CB 3.23Å; I532-L536 VanDerWaalsContact O-CG 3.31Å; I532-L536 WeakPolarHBondContact O-CG 3.38Å; I532-L536 PolarHBondContact O-N 3.07Å; V533-L536 PolarHBondContact O-N 3.3Å; L536-C538 VanDerWaalsContact C-N 3.32Å; L536-C538 PolarHBondContact O-N 2.88Å; L536-S539 PolarHBondContact O-N 2.79Å; L536-I544 HydrophobicContact CD2-CG2 4.27Å; L536-V545 WeakPolarHBondContact O-CG2 3.39Å; L536-I563 HydrophobicContact CB-CD1 4.12Å; L536-I563 HydrophobicContact CB-CG1 4.2Å; L536-I563 HydrophobicContact CB-CG2 4.26Å; L536-I563 HydrophobicContact CD1-CD1 3.9Å
537	C	77.1	Confident	78	Confident	4 Å²	4	48 Å²	48	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-42.4	173	-174.3	0	0	0	0	111.8	V533 D534 F535 R567	V533-C537 VanDerWaalsContact O-CB 3.3Å; V533-C537 WeakPolarHBondContact O-CB 3.17Å; V533-C537 PolarHBondContact O-N 3.45Å; D534-C537 WeakPolarHBondContact O-CB 3.32Å; D534-C537 PolarHBondContact O-N 3.37Å; F535-C537 VanDerWaalsContact C-N 3.29Å; F535-C537 PolarHBondContact O-N 3.16Å; C537-R567 WeakPolarHBondContact O-CG 3.23Å; C537-R567 VanDerWaalsContact SG-CA 3.51Å; C537-R567 PolarHBondContact SG-N 2.95Å; C537-R567 VanDerWaalsContact SG-N 3.43Å
538	C	74.1	Confident	78.3	Confident	67 Å²	67	46.1 Å²	46.1	45%	0.453	23%	0.233	S	C	.	.	H	α-helix	trans	-87.7	-7.9	-177.8	-71	0	0	0	0	114.7	D534 F535 L536 R573	D534-C538 WeakPolarHBondContact O-CB 3.2Å; D534-C538 PolarHBondContact O-N 3.38Å; D534-C538 PolarHBondContact O-SG 3.25Å; F535-C538 CarbonylContact O-C 3.57Å; F535-C538 PolarHBondContact O-N 3.17Å; F535-C538 VanDerWaalsContact O-N 3.14Å; L536-C538 VanDerWaalsContact C-N 3.32Å; L536-C538 PolarHBondContact O-N 2.88Å; C538-R573 PolarHBondContact O-NH1 3.21Å; C538-R573 PolarHBondContact O-NH2 3.03Å
539	S	73.8	Confident	78.3	Confident	7 Å²	7	45.7 Å²	45.7	5%	0.049	23%	0.231	C	C	.	.			trans	-67.7	144.6	-175.6	-171.4	0	0	0	0	113.1	F535 L536 R567	F535-S539 PolarHBondContact O-N 2.73Å; L536-S539 PolarHBondContact O-N 2.79Å; S539-R567 PolarHBondContact O-NH2 3.44Å
540	S	71.1	Confident	78.5	Confident	102 Å²	102	46.5 Å²	46.5	71%	0.713	24%	0.238	S	C	*	.	S	Bend	trans	-83.6	-29.2	177.7	-54.5	0	0	0	0	112.6	M542	S540-M542 PolarHBondContact O-N 3.44Å
541	S	76.8	Confident	78.6	Confident	42 Å²	42	43.8 Å²	43.8	29%	0.294	22%	0.224	S	C	.	.			trans	-85.3	109.3	-176.7	179.6	0	0	0	0	111.7	E543 I544 V545	S541-E543 VanDerWaalsContact C-N 3.29Å; S541-E543 PolarHBondContact O-N 3.27Å; S541-I544 PolarHBondContact O-N 2.62Å; S541-V545 WeakPolarHBondContact O-CG2 3.41Å; S541-V545 PolarHBondContact O-N 3.48Å
542	M	73.6	Confident	78.6	Confident	52 Å²	52	41.2 Å²	41.2	26%	0.256	21%	0.214	S	C	.	.	H	α-helix	trans	-67.2	-29.7	-179.9	-160.8	62.5	168	0	0	112.9	S540 V545 W546 R567 V576	S540-M542 PolarHBondContact O-N 3.44Å; M542-V545 PolarHBondContact O-N 3.18Å; M542-W546 HydrophobicContact CE-CZ2 3.57Å; M542-W546 PolarHBondContact O-N 3.47Å; M542-R567 PolarHBondContact SD-NH1 3.16Å; M542-V576 HydrophobicContact CE-CB 3.85Å; M542-V576 HydrophobicContact CE-CG1 3.3Å; M542-V576 HydrophobicContact CE-CG2 3.31Å; M542-V576 HydrophobicContact SD-CG2 4.01Å
543	E	76.7	Confident	78.5	Confident	162 Å²	162	41.3 Å²	41.3	76%	0.757	22%	0.215	S	C	*	.	H	α-helix	trans	-64.4	-41.1	177.9	-62.8	-177.7	175.3	0	0	112.2	S541 K547	S541-E543 VanDerWaalsContact C-N 3.29Å; S541-E543 PolarHBondContact O-N 3.27Å; E543-K547 WeakPolarHBondContact O-CB 3.43Å; E543-K547 PolarHBondContact O-N 2.94Å; E543-K547 VanDerWaalsContact O-N 3.07Å
544	I	79.9	Confident	78.5	Confident	28 Å²	28	47.5 Å²	47.5	14%	0.144	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-44	176.5	-65.3	179.2	0	0	0	109.7	D505 A506 L509 L536 S541 W546 K547 Y548	D505-I544 HydrophobicContact CB-CD1 4.1Å; A506-I544 HydrophobicContact CB-CD1 4.3Å; L509-I544 HydrophobicContact CD1-CG2 3.19Å; L536-I544 HydrophobicContact CD2-CG2 4.27Å; S541-I544 PolarHBondContact O-N 2.62Å; I544-W546 PolarHBondContact O-N 2.93Å; I544-K547 PolarHBondContact O-N 2.97Å; I544-Y548 HydrophobicContact CG2-CD2 3.73Å; I544-Y548 HydrophobicContact CG2-CE2 4.02Å; I544-Y548 VanDerWaalsContact O-CD2 3.28Å; I544-Y548 WeakPolarHBondContact O-CD2 2.88Å; I544-Y548 PolarHBondContact O-N 2.98Å; I544-Y548 VanDerWaalsContact O-N 3.07Å
545	V	80.3	Confident	78.4	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-49.7	177.2	175.1	0	0	0	0	110.7	L536 S541 M542 K547 Y548 A549 I563 F564	L536-V545 WeakPolarHBondContact O-CG2 3.39Å; S541-V545 WeakPolarHBondContact O-CG2 3.41Å; S541-V545 PolarHBondContact O-N 3.48Å; M542-V545 PolarHBondContact O-N 3.18Å; V545-K547 PolarHBondContact O-N 2.68Å; V545-Y548 PolarHBondContact O-N 2.88Å; V545-A549 WeakPolarHBondContact O-CA 3.3Å; V545-A549 WeakPolarHBondContact O-CB 3.45Å; V545-A549 PolarHBondContact O-N 3.27Å; V545-I563 HydrophobicContact CG1-CG2 3.76Å; V545-F564 HydrophobicContact CG1-CE1 4.36Å
546	W	79.3	Confident	78.3	Confident	59 Å²	59	51.2 Å²	51.2	22%	0.223	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-40.7	178.8	-70.4	124.7	0	0	0	113	M542 I544 Y548 F564 V576 V581 Y584	M542-W546 HydrophobicContact CE-CZ2 3.57Å; M542-W546 PolarHBondContact O-N 3.47Å; I544-W546 PolarHBondContact O-N 2.93Å; W546-Y548 PolarHBondContact O-N 3.35Å; W546-F564 HydrophobicContact CE3-CE1 4.44Å; W546-F564 HydrophobicContact CE3-CZ 4.22Å; W546-F564 HydrophobicContact CH2-CE1 4.1Å; W546-F564 HydrophobicContact CH2-CZ 4.46Å; W546-F564 AromaticContact CZ3-CE1 3.89Å; W546-F564 HydrophobicContact CZ3-CE1 3.89Å; W546-F564 AromaticContact CZ3-CZ 3.81Å; W546-F564 HydrophobicContact CZ3-CZ 3.81Å; W546-V576 HydrophobicContact CZ2-CG1 4.46Å; W546-V581 HydrophobicContact CH2-CG2 3.98Å; W546-Y584 HydrophobicContact CE3-CD1 4.03Å; W546-Y584 AromaticContact CE3-CD2 3.84Å; W546-Y584 HydrophobicContact CE3-CD2 3.84Å; W546-Y584 HydrophobicContact CE3-CE1 4.09Å; W546-Y584 AromaticContact CE3-CE2 3.9Å; W546-Y584 HydrophobicContact CE3-CE2 3.9Å; W546-Y584 AromaticContact CE3-CG 3.91Å; W546-Y584 HydrophobicContact CE3-CG 3.91Å; W546-Y584 HydrophobicContact CH2-CG 4.36Å; W546-Y584 AromaticContact CZ3-CD1 3.61Å; W546-Y584 HydrophobicContact CZ3-CD1 3.61Å; W546-Y584 AromaticContact CZ3-CD2 3.78Å; W546-Y584 HydrophobicContact CZ3-CD2 3.78Å; W546-Y584 HydrophobicContact CZ3-CE1 4.13Å; W546-Y584 HydrophobicContact CZ3-CE2 4.28Å; W546-Y584 AromaticContact CZ3-CG 3.42Å; W546-Y584 HydrophobicContact CZ3-CG 3.42Å; W546-Y584 VanDerWaalsContact CZ3-CG 3.42Å; W546-Y584 PolarHBondContact O-OH 3.18Å
547	K	81.7	Confident	78.1	Confident	142 Å²	142	52.8 Å²	52.8	62%	0.617	27%	0.269	S	S	*	.	H	α-helix	trans	-63.7	-39	-178.9	-175	175.7	-178.2	174.7	0	113	E543 I544 V545	E543-K547 WeakPolarHBondContact O-CB 3.43Å; E543-K547 PolarHBondContact O-N 2.94Å; E543-K547 VanDerWaalsContact O-N 3.07Å; I544-K547 PolarHBondContact O-N 2.97Å; V545-K547 PolarHBondContact O-N 2.68Å
548	Y	81.4	Confident	78	Confident	24 Å²	24	55.9 Å²	55.9	9%	0.094	29%	0.288	C	S	.	.	H	α-helix	trans	-101.2	-8.4	-176	-64.4	-70.7	0	0	0	113.9	L509 K510 I513 I544 V545 W546 D550 W551 A552	L509-Y548 HydrophobicContact CB-CD2 4.47Å; L509-Y548 HydrophobicContact CB-CE2 4.22Å; L509-Y548 HydrophobicContact CD1-CD2 3.84Å; L509-Y548 HydrophobicContact CD1-CE2 4.06Å; K510-Y548 WeakPolarHBondContact CG-OH 3.37Å; I513-Y548 HydrophobicContact CD1-CD1 3.17Å; I513-Y548 HydrophobicContact CD1-CE1 3.36Å; I513-Y548 HydrophobicContact CD1-CG 4.08Å; I544-Y548 HydrophobicContact CG2-CD2 3.73Å; I544-Y548 HydrophobicContact CG2-CE2 4.02Å; I544-Y548 VanDerWaalsContact O-CD2 3.28Å; I544-Y548 WeakPolarHBondContact O-CD2 2.88Å; I544-Y548 PolarHBondContact O-N 2.98Å; I544-Y548 VanDerWaalsContact O-N 3.07Å; V545-Y548 PolarHBondContact O-N 2.88Å; W546-Y548 PolarHBondContact O-N 3.35Å; Y548-D550 VanDerWaalsContact C-N 3.32Å; Y548-D550 PolarHBondContact O-N 3.48Å; Y548-W551 PolarHBondContact O-N 3.46Å; Y548-A552 PolarHBondContact O-N 2.91Å; Y548-A552 VanDerWaalsContact O-N 3.16Å
549	A	79	Confident	78	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-36.5	174.7	0	0	0	0	0	112.7	V545 A552 L553 F564 Y584	V545-A549 WeakPolarHBondContact O-CA 3.3Å; V545-A549 WeakPolarHBondContact O-CB 3.45Å; V545-A549 PolarHBondContact O-N 3.27Å; A549-A552 PolarHBondContact O-N 2.99Å; A549-L553 WeakPolarHBondContact O-CB 3.41Å; A549-L553 VanDerWaalsContact O-CG 3.23Å; A549-L553 WeakPolarHBondContact O-CG 3.32Å; A549-L553 PolarHBondContact O-N 2.8Å; A549-F564 HydrophobicContact CB-CE2 4.21Å; A549-F564 HydrophobicContact CB-CZ 3.97Å; A549-Y584 HydrophobicContact CB-CE1 4.32Å
550	D	80	Confident	78.2	Confident	60 Å²	60	53.4 Å²	53.4	32%	0.321	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-44.7	177.5	-168.6	28.2	0	0	0	111.2	Y548 A552 L553 Q554 H588	Y548-D550 VanDerWaalsContact C-N 3.32Å; Y548-D550 PolarHBondContact O-N 3.48Å; D550-A552 PolarHBondContact O-N 3.21Å; D550-L553 PolarHBondContact O-N 2.84Å; D550-Q554 WeakPolarHBondContact O-CB 3.26Å; D550-Q554 VanDerWaalsContact O-CG 3.24Å; D550-Q554 WeakPolarHBondContact O-CG 3.44Å; D550-Q554 PolarHBondContact O-N 3.25Å; D550-Q554 PolarHBondContact OD1-NE2 2.89Å; D550-Q554 PolarHBondContact OD2-NE2 3.49Å; D550-H588 IonicContact OD1-NE2 2.97Å
551	W	83.4	Confident	78.5	Confident	36 Å²	36	48.9 Å²	48.9	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-46.3	174.8	172	88.6	0	0	0	112	I513 V516 D517 Y529 I532 Y548 Q554 K555	I513-W551 HydrophobicContact CB-CZ2 4.36Å; I513-W551 HydrophobicContact CD1-CD2 4.4Å; I513-W551 HydrophobicContact CD1-CE3 4.48Å; I513-W551 HydrophobicContact CG1-CD2 4.17Å; I513-W551 HydrophobicContact CG1-CE3 4.26Å; I513-W551 HydrophobicContact CG1-CH2 4.08Å; I513-W551 HydrophobicContact CG1-CZ2 3.98Å; I513-W551 HydrophobicContact CG1-CZ3 4.23Å; I513-W551 HydrophobicContact CG2-CD2 4.49Å; I513-W551 HydrophobicContact CG2-CZ2 4.14Å; V516-W551 HydrophobicContact CB-CH2 4.3Å; V516-W551 HydrophobicContact CB-CZ2 4.03Å; V516-W551 HydrophobicContact CG1-CH2 4.06Å; V516-W551 HydrophobicContact CG1-CZ2 3.78Å; D517-W551 PolarHBondContact OD2-NE1 2.99Å; Y529-W551 AromaticContact CD2-CH2 3.81Å; Y529-W551 HydrophobicContact CD2-CH2 3.81Å; Y529-W551 HydrophobicContact CD2-CZ3 4.21Å; Y529-W551 HydrophobicContact CE2-CH2 4.07Å; Y529-W551 HydrophobicContact CE2-CZ3 4.11Å; I532-W551 HydrophobicContact CD1-CH2 3.88Å; I532-W551 HydrophobicContact CD1-CZ3 4.4Å; I532-W551 HydrophobicContact CG2-CH2 4.4Å; I532-W551 HydrophobicContact CG2-CZ3 3.85Å; Y548-W551 PolarHBondContact O-N 3.46Å; W551-Q554 PolarHBondContact O-N 3.5Å; W551-K555 WeakPolarHBondContact O-CG 3.46Å; W551-K555 PolarHBondContact O-N 3.31Å
552	A	80.4	Confident	78.5	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-43.2	-179.9	0	0	0	0	0	112.2	Y529 V533 Y548 A549 D550 K555 D556 I563	Y529-A552 PolarHBondContact OH-O 3.32Å; V533-A552 HydrophobicContact CG2-CB 4.48Å; Y548-A552 PolarHBondContact O-N 2.91Å; Y548-A552 VanDerWaalsContact O-N 3.16Å; A549-A552 PolarHBondContact O-N 2.99Å; D550-A552 PolarHBondContact O-N 3.21Å; A552-K555 PolarHBondContact O-N 2.99Å; A552-D556 PolarHBondContact O-N 3.43Å; A552-I563 HydrophobicContact CB-CD1 3.69Å
553	L	78.7	Confident	78.8	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-71.8	-30.5	-178.9	-70.4	169.5	0	0	0	113.4	A549 D550 F564 Y584 L585 A591	A549-L553 WeakPolarHBondContact O-CB 3.41Å; A549-L553 VanDerWaalsContact O-CG 3.23Å; A549-L553 WeakPolarHBondContact O-CG 3.32Å; A549-L553 PolarHBondContact O-N 2.8Å; D550-L553 PolarHBondContact O-N 2.84Å; L553-F564 HydrophobicContact CD1-CE2 4.5Å; L553-Y584 HydrophobicContact CD1-CE1 4.34Å; L553-L585 HydrophobicContact CD1-CD2 3.63Å; L553-L585 HydrophobicContact CD2-CD2 4.25Å; L553-A591 HydrophobicContact CD2-CB 3.82Å
554	Q	80.3	Confident	78.8	Confident	129 Å²	129	39.4 Å²	39.4	60%	0.603	19%	0.187	S	C	*	.	H	α-helix	trans	-72.5	-35	175.1	-74.5	176.6	17.9	0	0	112.7	D550 W551	D550-Q554 WeakPolarHBondContact O-CB 3.26Å; D550-Q554 VanDerWaalsContact O-CG 3.24Å; D550-Q554 WeakPolarHBondContact O-CG 3.44Å; D550-Q554 PolarHBondContact O-N 3.25Å; D550-Q554 PolarHBondContact OD1-NE2 2.89Å; D550-Q554 PolarHBondContact OD2-NE2 3.49Å; W551-Q554 PolarHBondContact O-N 3.5Å
555	K	77.9	Confident	78.5	Confident	114 Å²	114	38.8 Å²	38.8	50%	0.496	18%	0.184	S	C	.	.	H	α-helix	trans	-74.2	-55.8	179.2	-74.6	-76.7	-174.2	161.3	0	112.3	D517 Y529 W551 A552	D517-K555 WeakPolarHBondContact OD1-CE 3.41Å; D517-K555 IonicContact OD1-NZ 2.72Å; D517-K555 PolarHBondContact OD1-NZ 3.2Å; Y529-K555 HydrophobicContact CE2-CB 3.97Å; W551-K555 WeakPolarHBondContact O-CG 3.46Å; W551-K555 PolarHBondContact O-N 3.31Å; A552-K555 PolarHBondContact O-N 2.99Å
556	D	77.9	Confident	78.1	Confident	44 Å²	44	45 Å²	45	24%	0.235	21%	0.211	C	C	.	.			trans	-145.2	108.8	174.4	172.3	22.3	0	0	0	110.6	Y529 A552 T558 T559 G560	Y529-D556 HydrophobicContact CE1-CB 3.99Å; Y529-D556 WeakPolarHBondContact OH-CB 3.3Å; Y529-D556 PolarHBondContact OH-N 3.4Å; Y529-D556 PolarHBondContact OH-O 2.96Å; A552-D556 PolarHBondContact O-N 3.43Å; D556-T558 VanDerWaalsContact CG-OG1 3.3Å; D556-T558 PolarHBondContact O-N 2.91Å; D556-T558 PolarHBondContact OD1-N 3.42Å; D556-T558 PolarHBondContact OD1-OG1 3.05Å; D556-T558 PolarHBondContact OD2-OG1 3.09Å; D556-T558 VanDerWaalsContact OD2-OG1 3.1Å; D556-T559 WeakPolarHBondContact OD2-CB 3.46Å; D556-T559 PolarHBondContact OD2-N 3.41Å; D556-T559 VanDerWaalsContact OD2-N 3.14Å; D556-T559 PolarHBondContact OD2-OG1 3.11Å; D556-G560 PolarHBondContact O-N 3.47Å
557	P	76.1	Confident	77.6	Confident	33 Å²	33	43.6 Å²	43.6	21%	0.214	21%	0.206	C	C	.	.	H	α-helix	trans	-67.9	-21.3	-178.6	25.4	-31.6	0	0	0	113.2	I561 A591	P557-I561 PolarHBondContact O-N 3Å; P557-A591 HydrophobicContact CB-CB 4.34Å
558	T	75	Confident	76.7	Confident	69 Å²	69	39.9 Å²	39.9	42%	0.423	20%	0.196	S	C	.	.	H	α-helix	trans	-80.5	-40.4	-178.3	65.8	0	0	0	0	112.6	D556 I561 L594	D556-T558 VanDerWaalsContact CG-OG1 3.3Å; D556-T558 PolarHBondContact O-N 2.91Å; D556-T558 PolarHBondContact OD1-N 3.42Å; D556-T558 PolarHBondContact OD1-OG1 3.05Å; D556-T558 PolarHBondContact OD2-OG1 3.09Å; D556-T558 VanDerWaalsContact OD2-OG1 3.1Å; T558-I561 WeakPolarHBondContact O-CG2 3.17Å; T558-L594 HydrophobicContact CG2-CD1 4.18Å
559	T	74.8	Confident	75.6	Confident	22 Å²	22	42.9 Å²	42.9	14%	0.135	22%	0.217	C	C	.	.	H	α-helix	trans	-81.5	-40.5	174.1	-55.3	0	0	0	0	110.9	Y529 E530 V533 D556 I561 R562	Y529-T559 HydrophobicContact CD1-CG2 4.25Å; Y529-T559 HydrophobicContact CE1-CG2 3.76Å; E530-T559 HydrophobicContact CG-CG2 4.33Å; V533-T559 HydrophobicContact CB-CG2 4.39Å; V533-T559 HydrophobicContact CG1-CG2 4.2Å; V533-T559 WeakPolarHBondContact CG1-O 3.39Å; V533-T559 HydrophobicContact CG2-CG2 4.18Å; D556-T559 WeakPolarHBondContact OD2-CB 3.46Å; D556-T559 PolarHBondContact OD2-N 3.41Å; D556-T559 VanDerWaalsContact OD2-N 3.14Å; D556-T559 PolarHBondContact OD2-OG1 3.11Å; T559-I561 VanDerWaalsContact C-N 3.25Å; T559-I561 PolarHBondContact O-N 3.14Å; T559-R562 WeakPolarHBondContact O-CB 3.38Å; T559-R562 VanDerWaalsContact O-CG 3.32Å; T559-R562 WeakPolarHBondContact O-CG 3.3Å; T559-R562 PolarHBondContact O-N 3.27Å
560	G	76.9	Confident	74.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-29	-179.8	0	0	0	0	0	114.6	D556 R562 I563	D556-G560 PolarHBondContact O-N 3.47Å; G560-R562 PolarHBondContact O-N 3.34Å; G560-I563 WeakPolarHBondContact O-CB 3.35Å; G560-I563 WeakPolarHBondContact O-CD1 3.47Å; G560-I563 VanDerWaalsContact O-CG1 3.23Å; G560-I563 WeakPolarHBondContact O-CG1 3.36Å; G560-I563 PolarHBondContact O-N 2.83Å
561	I	79.3	Confident	72.8	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.041	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.5	176.7	-162.2	64.8	0	0	0	113.3	P557 T558 T559 I563 F564 T565 L585 A591 L594 Y595	P557-I561 PolarHBondContact O-N 3Å; T558-I561 WeakPolarHBondContact O-CG2 3.17Å; T559-I561 VanDerWaalsContact C-N 3.25Å; T559-I561 PolarHBondContact O-N 3.14Å; I561-I563 PolarHBondContact O-N 2.92Å; I561-I563 VanDerWaalsContact O-N 3.14Å; I561-F564 HydrophobicContact CD1-CD2 4.19Å; I561-F564 PolarHBondContact O-N 2.92Å; I561-T565 HydrophobicContact CG1-CG2 4.07Å; I561-T565 PolarHBondContact O-N 3.25Å; I561-T565 VanDerWaalsContact O-N 3.13Å; I561-T565 PolarHBondContact O-OG1 3.48Å; I561-L585 HydrophobicContact CD1-CD1 3.46Å; I561-L585 VanDerWaalsContact CD1-CD1 3.46Å; I561-L585 HydrophobicContact CD1-CD2 3.93Å; I561-L585 HydrophobicContact CD1-CG 4.37Å; I561-A591 HydrophobicContact CD1-CB 4.22Å; I561-L594 HydrophobicContact CG2-CB 4.24Å; I561-L594 HydrophobicContact CG2-CD1 4.28Å; I561-Y595 HydrophobicContact CD1-CD2 4.12Å; I561-Y595 HydrophobicContact CD1-CG 4.22Å; I561-Y595 HydrophobicContact CG1-CD2 4.43Å
562	R	76.7	Confident	71	Confident	45 Å²	45	58.6 Å²	58.6	17%	0.17	30%	0.302	C	S	.	.	H	α-helix	trans	-56.5	-28.9	174.3	-68.3	168.5	57.6	176.3	-4.9	112.3	E530 V533 D534 T559 G560 F564 T565 K566	E530-R562 IonicContact OE2-NH1 3.7Å; E530-R562 PolarHBondContact OE2-NH1 3.42Å; V533-R562 HydrophobicContact CG1-CB 3.86Å; D534-R562 IonicContact OD1-CZ 3.71Å; D534-R562 IonicContact OD1-NE 2.64Å; D534-R562 IonicContact OD1-NH2 3.33Å; D534-R562 PolarHBondContact OD1-NH2 2.89Å; D534-R562 IonicContact OD2-NH2 3.02Å; D534-R562 PolarHBondContact OD2-NH2 3.36Å; T559-R562 WeakPolarHBondContact O-CB 3.38Å; T559-R562 VanDerWaalsContact O-CG 3.32Å; T559-R562 WeakPolarHBondContact O-CG 3.3Å; T559-R562 PolarHBondContact O-N 3.27Å; G560-R562 PolarHBondContact O-N 3.34Å; R562-F564 PolarHBondContact O-N 3.32Å; R562-T565 WeakPolarHBondContact CA-OG1 3.49Å; R562-T565 PolarHBondContact O-N 3.15Å; R562-K566 HydrophobicContact CB-CD 4.48Å; R562-K566 HydrophobicContact CG-CD 4.31Å; R562-K566 PolarHBondContact O-N 3.45Å; R562-K566 VanDerWaalsContact O-N 3.07Å
563	I	78.9	Confident	69.8	Low	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-53.6	-38.9	175.5	-59.8	175.5	0	0	0	111.2	V533 L536 V545 A552 G560 I561	V533-I563 HydrophobicContact CG1-CG1 3.95Å; L536-I563 HydrophobicContact CB-CD1 4.12Å; L536-I563 HydrophobicContact CB-CG1 4.2Å; L536-I563 HydrophobicContact CB-CG2 4.26Å; L536-I563 HydrophobicContact CD1-CD1 3.9Å; V545-I563 HydrophobicContact CG1-CG2 3.76Å; A552-I563 HydrophobicContact CB-CD1 3.69Å; G560-I563 WeakPolarHBondContact O-CB 3.35Å; G560-I563 WeakPolarHBondContact O-CD1 3.47Å; G560-I563 VanDerWaalsContact O-CG1 3.23Å; G560-I563 WeakPolarHBondContact O-CG1 3.36Å; G560-I563 PolarHBondContact O-N 2.83Å; I561-I563 PolarHBondContact O-N 2.92Å; I561-I563 VanDerWaalsContact O-N 3.14Å
564	F	76.3	Confident	68.7	Low	11 Å²	11	68.4 Å²	68.4	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-99.5	-28	-176.6	-60.3	-71.6	0	0	0	113.6	V545 W546 A549 L553 I561 R562 V581 Y595	V545-F564 HydrophobicContact CG1-CE1 4.36Å; W546-F564 HydrophobicContact CE3-CE1 4.44Å; W546-F564 HydrophobicContact CE3-CZ 4.22Å; W546-F564 HydrophobicContact CH2-CE1 4.1Å; W546-F564 HydrophobicContact CH2-CZ 4.46Å; W546-F564 AromaticContact CZ3-CE1 3.89Å; W546-F564 HydrophobicContact CZ3-CE1 3.89Å; W546-F564 AromaticContact CZ3-CZ 3.81Å; W546-F564 HydrophobicContact CZ3-CZ 3.81Å; A549-F564 HydrophobicContact CB-CE2 4.21Å; A549-F564 HydrophobicContact CB-CZ 3.97Å; L553-F564 HydrophobicContact CD1-CE2 4.5Å; I561-F564 HydrophobicContact CD1-CD2 4.19Å; I561-F564 PolarHBondContact O-N 2.92Å; R562-F564 PolarHBondContact O-N 3.32Å; F564-V581 HydrophobicContact CB-CG1 4.16Å; F564-V581 HydrophobicContact CD1-CG1 3.98Å; F564-V581 HydrophobicContact CD1-CG2 3.88Å; F564-V581 HydrophobicContact CD2-CG1 4.29Å; F564-V581 HydrophobicContact CE1-CG1 4.46Å; F564-V581 HydrophobicContact CE1-CG2 4.2Å; F564-V581 HydrophobicContact CG-CG1 3.89Å; F564-Y595 HydrophobicContact CB-CD2 4.06Å; F564-Y595 HydrophobicContact CB-CE2 3.7Å
565	T	73.3	Confident	67.6	Low	15 Å²	15	69.5 Å²	69.5	9%	0.092	36%	0.361	C	S	.	.	H	α-helix	trans	-84.6	-46.8	-176.3	55.8	0	0	0	0	113	I561 R562 R567 Y595 H598 R603	I561-T565 HydrophobicContact CG1-CG2 4.07Å; I561-T565 PolarHBondContact O-N 3.25Å; I561-T565 VanDerWaalsContact O-N 3.13Å; I561-T565 PolarHBondContact O-OG1 3.48Å; R562-T565 WeakPolarHBondContact CA-OG1 3.49Å; R562-T565 PolarHBondContact O-N 3.15Å; T565-R567 VanDerWaalsContact C-N 3.32Å; T565-R567 PolarHBondContact O-N 3.33Å; T565-Y595 HydrophobicContact CG2-CD2 3.83Å; T565-Y595 HydrophobicContact CG2-CE2 4.41Å; T565-H598 HydrophobicContact CG2-CB 3.81Å; T565-H598 PolarHBondContact O-NE2 3.42Å; T565-R603 PolarHBondContact O-NH2 3.09Å
566	K	72.8	Confident	67	Low	132 Å²	132	65.3 Å²	65.3	57%	0.574	35%	0.345	S	S	*	.	S	Bend	trans	-89	7.9	-174	-67	-171.8	177.7	-179.5	0	114.1	R562 P568	R562-K566 HydrophobicContact CB-CD 4.48Å; R562-K566 HydrophobicContact CG-CD 4.31Å; R562-K566 PolarHBondContact O-N 3.45Å; R562-K566 VanDerWaalsContact O-N 3.07Å; K566-P568 WeakPolarHBondContact O-CD 3.43Å
567	R	69.2	Low	66.7	Low	28 Å²	28	66.3 Å²	66.3	11%	0.106	35%	0.35	C	S	.	.			trans	-63.4	122.7	-177.6	-170.5	159.9	-168	-179.7	1.2	111.2	C537 S539 M542 T565 V569 V576	C537-R567 WeakPolarHBondContact O-CG 3.23Å; C537-R567 VanDerWaalsContact SG-CA 3.51Å; C537-R567 PolarHBondContact SG-N 2.95Å; C537-R567 VanDerWaalsContact SG-N 3.43Å; S539-R567 PolarHBondContact O-NH2 3.44Å; M542-R567 PolarHBondContact SD-NH1 3.16Å; T565-R567 VanDerWaalsContact C-N 3.32Å; T565-R567 PolarHBondContact O-N 3.33Å; R567-V569 PolarHBondContact O-N 3.36Å; R567-V576 VanDerWaalsContact NH1-CG2 3.31Å
568	P	62.3	Low	66.5	Low	64 Å²	64	66 Å²	66	42%	0.416	35%	0.348	S	S	.	.			trans	-68.9	127.9	-178.4	25.5	-32.5	0	0	0	110.9	K566 G570	K566-P568 WeakPolarHBondContact O-CD 3.43Å; P568-G570 PolarHBondContact O-N 3.4Å
569	V	58.7	Low	66.4	Low	88 Å²	88	65.7 Å²	65.7	53%	0.533	34%	0.344	S	S	.	.			trans	-88.3	104.8	176.5	-171.1	0	0	0	0	108.1	R567 E575	R567-V569 PolarHBondContact O-N 3.36Å; V569-E575 HydrophobicContact CG1-CG 3.97Å; V569-E575 WeakPolarHBondContact CG1-OE1 3.31Å
570	G	52.3	Low	66.4	Low	38 Å²	38	69.7 Å²	69.7	39%	0.392	36%	0.361	S	S	.	.			trans	-125.5	164.2	-179	0	0	0	0	0	112	P568 D572 R573	P568-G570 PolarHBondContact O-N 3.4Å; G570-D572 PolarHBondContact O-N 2.94Å; G570-D572 VanDerWaalsContact O-N 3.1Å; G570-R573 PolarHBondContact O-N 3.06Å; G570-R573 VanDerWaalsContact O-N 3.16Å
571	K	48.2	Very low	66.4	Low	221 Å²	221	69.7 Å²	69.7	96%	0.961	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.8	-172.3	-72.7	-179.4	176.6	178	0	115.6
572	D	45.8	Very low	66.3	Low	166 Å²	166	70.5 Å²	70.5	89%	0.888	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	13	-178.4	-72.8	-32.5	0	0	0	114.1	G570	G570-D572 PolarHBondContact O-N 2.94Å; G570-D572 VanDerWaalsContact O-N 3.1Å
573	R	55.3	Low	66.3	Low	97 Å²	97	72 Å²	72	37%	0.366	39%	0.388	S	S	.	.	S	Bend	trans	-121.1	119.2	-173.8	-63.7	-177.7	-179.8	-142.2	-6	110.5	C538 G570 E575	C538-R573 PolarHBondContact O-NH1 3.21Å; C538-R573 PolarHBondContact O-NH2 3.03Å; G570-R573 PolarHBondContact O-N 3.06Å; G570-R573 VanDerWaalsContact O-N 3.16Å; R573-E575 PolarHBondContact O-N 2.84Å; R573-E575 VanDerWaalsContact O-N 3.13Å
574	S	53.9	Low	66.1	Low	113 Å²	113	74.7 Å²	74.7	79%	0.79	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-56.3	117	174.8	-50.1	0	0	0	0	109.5	V576	S574-V576 PolarHBondContact O-N 3.21Å; S574-V576 VanDerWaalsContact O-N 3.14Å
575	E	57.7	Low	66.1	Low	152 Å²	152	74.1 Å²	74.1	71%	0.71	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-56.3	121.5	168.7	-75.2	-174.4	164.4	0	0	108.1	V569 R573 N577	V569-E575 HydrophobicContact CG1-CG 3.97Å; V569-E575 WeakPolarHBondContact CG1-OE1 3.31Å; R573-E575 PolarHBondContact O-N 2.84Å; R573-E575 VanDerWaalsContact O-N 3.13Å; E575-N577 PolarHBondContact O-N 3.14Å
576	V	65.1	Low	65.9	Low	26 Å²	26	75.9 Å²	75.9	16%	0.158	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-63.5	124.1	174.6	-176.4	0	0	0	0	107.5	M542 W546 R567 S574 P578 V581	M542-V576 HydrophobicContact CE-CB 3.85Å; M542-V576 HydrophobicContact CE-CG1 3.3Å; M542-V576 HydrophobicContact CE-CG2 3.31Å; M542-V576 HydrophobicContact SD-CG2 4.01Å; W546-V576 HydrophobicContact CZ2-CG1 4.46Å; R567-V576 VanDerWaalsContact NH1-CG2 3.31Å; S574-V576 PolarHBondContact O-N 3.21Å; S574-V576 VanDerWaalsContact O-N 3.14Å; V576-P578 WeakPolarHBondContact O-CD 3.47Å; V576-P578 VanDerWaalsContact O-N 3.11Å; V576-V581 HydrophobicContact CB-CG2 4.35Å; V576-V581 HydrophobicContact CG1-CG2 3.22Å
577	N	72.7	Confident	65.9	Low	64 Å²	64	77.4 Å²	77.4	34%	0.342	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-60.1	116.2	178.5	-173.9	-3.4	0	0	0	109.5	E575 D579 E580 V581	E575-N577 PolarHBondContact O-N 3.14Å; N577-D579 PolarHBondContact O-N 2.59Å; N577-D579 VanDerWaalsContact O-N 3.11Å; N577-D579 PolarHBondContact OD1-N 3.31Å; N577-E580 HydrophobicContact CB-CB 4.3Å; N577-E580 HydrophobicContact CB-CG 4.08Å; N577-E580 PolarHBondContact ND2-OE1 3.49Å; N577-E580 PolarHBondContact O-N 2.71Å; N577-V581 PolarHBondContact O-N 3.48Å
578	P	70.8	Confident	66.2	Low	26 Å²	26	78 Å²	78	17%	0.169	43%	0.427	C	S	.	.	H	α-helix	trans	-58.9	-28.8	-177.6	-25.5	35.3	0	0	0	112.7	V576 V581 I582 L599 F610	V576-P578 WeakPolarHBondContact O-CD 3.47Å; V576-P578 VanDerWaalsContact O-N 3.11Å; P578-V581 PolarHBondContact O-N 3.32Å; P578-I582 WeakPolarHBondContact O-CB 3.26Å; P578-I582 WeakPolarHBondContact O-CD1 3.3Å; P578-I582 WeakPolarHBondContact O-CG1 3.39Å; P578-I582 PolarHBondContact O-N 3.22Å; P578-L599 HydrophobicContact CB-CD1 4.16Å; P578-F610 HydrophobicContact CB-CE2 4.1Å; P578-F610 HydrophobicContact CB-CZ 3.97Å
579	D	72.5	Confident	66.6	Low	64 Å²	64	79.5 Å²	79.5	34%	0.342	44%	0.439	S	S	.	.	H	α-helix	trans	-68.6	-34.6	179	-67.7	-69.8	0	0	0	112.2	N577 A583 K607 F610	N577-D579 PolarHBondContact O-N 2.59Å; N577-D579 VanDerWaalsContact O-N 3.11Å; N577-D579 PolarHBondContact OD1-N 3.31Å; D579-A583 PolarHBondContact O-N 2.85Å; D579-A583 VanDerWaalsContact O-N 3.09Å; D579-K607 IonicContact OD2-NZ 3.07Å; D579-K607 PolarHBondContact OD2-NZ 3.45Å; D579-F610 VanDerWaalsContact OD1-CE1 3.3Å; D579-F610 WeakPolarHBondContact OD1-CE1 3.23Å
580	E	75.6	Confident	67.2	Low	105 Å²	105	80.7 Å²	80.7	49%	0.491	44%	0.439	S	S	.	.	H	α-helix	trans	-72.6	-39.4	176	-72.3	168	-152.7	0	0	111.9	N577 A583 Y584	N577-E580 HydrophobicContact CB-CB 4.3Å; N577-E580 HydrophobicContact CB-CG 4.08Å; N577-E580 PolarHBondContact ND2-OE1 3.49Å; N577-E580 PolarHBondContact O-N 2.71Å; E580-A583 PolarHBondContact O-N 2.81Å; E580-Y584 WeakPolarHBondContact O-CB 3.37Å; E580-Y584 PolarHBondContact O-N 3.07Å
581	V	77.8	Confident	68.3	Low	0 Å²	0	78.9 Å²	78.9	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-66	-41.2	176	179.8	0	0	0	0	110.6	W546 F564 V576 N577 P578 Y584 L585 Y595	W546-V581 HydrophobicContact CH2-CG2 3.98Å; F564-V581 HydrophobicContact CB-CG1 4.16Å; F564-V581 HydrophobicContact CD1-CG1 3.98Å; F564-V581 HydrophobicContact CD1-CG2 3.88Å; F564-V581 HydrophobicContact CD2-CG1 4.29Å; F564-V581 HydrophobicContact CE1-CG1 4.46Å; F564-V581 HydrophobicContact CE1-CG2 4.2Å; F564-V581 HydrophobicContact CG-CG1 3.89Å; V576-V581 HydrophobicContact CB-CG2 4.35Å; V576-V581 HydrophobicContact CG1-CG2 3.22Å; N577-V581 PolarHBondContact O-N 3.48Å; P578-V581 PolarHBondContact O-N 3.32Å; V581-Y584 PolarHBondContact O-N 3.38Å; V581-L585 HydrophobicContact CG1-CD1 3.53Å; V581-L585 HydrophobicContact CG1-CG 3.96Å; V581-L585 VanDerWaalsContact O-CB 3.27Å; V581-L585 WeakPolarHBondContact O-CB 3.47Å; V581-L585 WeakPolarHBondContact O-CG 3.48Å; V581-L585 PolarHBondContact O-N 2.9Å; V581-Y595 HydrophobicContact CB-CE1 3.81Å; V581-Y595 HydrophobicContact CG1-CD1 3.93Å; V581-Y595 HydrophobicContact CG1-CD2 4.36Å; V581-Y595 HydrophobicContact CG1-CE1 3.49Å; V581-Y595 VanDerWaalsContact CG1-CE1 3.49Å; V581-Y595 HydrophobicContact CG1-CE2 4Å; V581-Y595 HydrophobicContact CG1-CG 4.35Å
582	I	76.4	Confident	69.8	Low	25 Å²	25	68.9 Å²	68.9	13%	0.128	38%	0.377	C	S	.	.	H	α-helix	trans	-62.4	-43.3	175.2	-72.1	163.6	0	0	0	111	P578 Y584 G586 L592 Y595 L596 L599 F610	P578-I582 WeakPolarHBondContact O-CB 3.26Å; P578-I582 WeakPolarHBondContact O-CD1 3.3Å; P578-I582 WeakPolarHBondContact O-CG1 3.39Å; P578-I582 PolarHBondContact O-N 3.22Å; I582-Y584 VanDerWaalsContact C-N 3.33Å; I582-Y584 PolarHBondContact O-N 3.31Å; I582-G586 PolarHBondContact O-N 3.48Å; I582-G586 VanDerWaalsContact O-N 3.08Å; I582-L592 HydrophobicContact CB-CD1 4.39Å; I582-L592 HydrophobicContact CG1-CD1 4.35Å; I582-L592 HydrophobicContact CG2-CD1 4.05Å; I582-Y595 HydrophobicContact CG1-CD1 4.12Å; I582-Y595 HydrophobicContact CG1-CE1 4.08Å; I582-L596 HydrophobicContact CD1-CD2 3.85Å; I582-L596 HydrophobicContact CG1-CD2 4.2Å; I582-L599 HydrophobicContact CD1-CD1 4.28Å; I582-F610 HydrophobicContact CD1-CD1 3.54Å; I582-F610 HydrophobicContact CD1-CE1 3.31Å; I582-F610 HydrophobicContact CD1-CG 4.36Å; I582-F610 HydrophobicContact CD1-CZ 3.92Å
583	A	77.3	Confident	71.4	Confident	77 Å²	77	62.7 Å²	62.7	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-62.3	-40.7	175.8	0	0	0	0	0	112	D579 E580 G586	D579-A583 PolarHBondContact O-N 2.85Å; D579-A583 VanDerWaalsContact O-N 3.09Å; E580-A583 PolarHBondContact O-N 2.81Å; A583-G586 PolarHBondContact O-N 3.03Å
584	Y	74.4	Confident	72.5	Confident	56 Å²	56	60.6 Å²	60.6	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-69.2	-45.4	178.5	-171.1	-94.9	0	0	0	112.7	W546 A549 L553 E580 V581 I582 G586	W546-Y584 HydrophobicContact CE3-CD1 4.03Å; W546-Y584 AromaticContact CE3-CD2 3.84Å; W546-Y584 HydrophobicContact CE3-CD2 3.84Å; W546-Y584 HydrophobicContact CE3-CE1 4.09Å; W546-Y584 AromaticContact CE3-CE2 3.9Å; W546-Y584 HydrophobicContact CE3-CE2 3.9Å; W546-Y584 AromaticContact CE3-CG 3.91Å; W546-Y584 HydrophobicContact CE3-CG 3.91Å; W546-Y584 HydrophobicContact CH2-CG 4.36Å; W546-Y584 AromaticContact CZ3-CD1 3.61Å; W546-Y584 HydrophobicContact CZ3-CD1 3.61Å; W546-Y584 AromaticContact CZ3-CD2 3.78Å; W546-Y584 HydrophobicContact CZ3-CD2 3.78Å; W546-Y584 HydrophobicContact CZ3-CE1 4.13Å; W546-Y584 HydrophobicContact CZ3-CE2 4.28Å; W546-Y584 AromaticContact CZ3-CG 3.42Å; W546-Y584 HydrophobicContact CZ3-CG 3.42Å; W546-Y584 VanDerWaalsContact CZ3-CG 3.42Å; W546-Y584 PolarHBondContact O-OH 3.18Å; A549-Y584 HydrophobicContact CB-CE1 4.32Å; L553-Y584 HydrophobicContact CD1-CE1 4.34Å; E580-Y584 WeakPolarHBondContact O-CB 3.37Å; E580-Y584 PolarHBondContact O-N 3.07Å; V581-Y584 PolarHBondContact O-N 3.38Å; I582-Y584 VanDerWaalsContact C-N 3.33Å; I582-Y584 PolarHBondContact O-N 3.31Å; Y584-G586 PolarHBondContact O-N 3.06Å
585	L	75.4	Confident	73.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.8	-9.5	178.2	-67.9	176.3	0	0	0	113.3	L553 I561 V581 K587 H588 A591 L592 Y595	L553-L585 HydrophobicContact CD1-CD2 3.63Å; L553-L585 HydrophobicContact CD2-CD2 4.25Å; I561-L585 HydrophobicContact CD1-CD1 3.46Å; I561-L585 VanDerWaalsContact CD1-CD1 3.46Å; I561-L585 HydrophobicContact CD1-CD2 3.93Å; I561-L585 HydrophobicContact CD1-CG 4.37Å; V581-L585 HydrophobicContact CG1-CD1 3.53Å; V581-L585 HydrophobicContact CG1-CG 3.96Å; V581-L585 VanDerWaalsContact O-CB 3.27Å; V581-L585 WeakPolarHBondContact O-CB 3.47Å; V581-L585 WeakPolarHBondContact O-CG 3.48Å; V581-L585 PolarHBondContact O-N 2.9Å; L585-K587 PolarHBondContact O-N 3.01Å; L585-H588 CarbonylContact O-C 3.54Å; L585-H588 PolarHBondContact O-N 3.27Å; L585-H588 VanDerWaalsContact O-O 3.13Å; L585-A591 HydrophobicContact CD2-CB 4.07Å; L585-L592 HydrophobicContact CB-CB 4.12Å; L585-L592 HydrophobicContact CB-CD1 4.08Å; L585-Y595 HydrophobicContact CD1-CD1 3.83Å; L585-Y595 HydrophobicContact CD1-CD2 4.38Å; L585-Y595 HydrophobicContact CD1-CG 3.69Å
586	G	70.4	Confident	74.6	Confident	51 Å²	51	48.4 Å²	48.4	53%	0.526	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.4	171.8	0	0	0	0	0	113.8	I582 A583 Y584	I582-G586 PolarHBondContact O-N 3.48Å; I582-G586 VanDerWaalsContact O-N 3.08Å; A583-G586 PolarHBondContact O-N 3.03Å; Y584-G586 PolarHBondContact O-N 3.06Å
587	K	72.7	Confident	75.4	Confident	164 Å²	164	48.4 Å²	48.4	71%	0.713	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-22	173.9	-61.9	179.6	-177.8	177	0	113.9	L585	L585-K587 PolarHBondContact O-N 3.01Å
588	H	74.8	Confident	75.8	Confident	42 Å²	42	46.4 Å²	46.4	19%	0.194	26%	0.256	C	S	.	.			trans	-125.6	90.4	-176.6	-60.5	-81.1	0	0	0	110.7	D550 L585 Q590 A591 L592	D550-H588 IonicContact OD1-NE2 2.97Å; L585-H588 CarbonylContact O-C 3.54Å; L585-H588 PolarHBondContact O-N 3.27Å; L585-H588 VanDerWaalsContact O-O 3.13Å; H588-Q590 VanDerWaalsContact C-N 3.3Å; H588-Q590 PolarHBondContact O-N 3.43Å; H588-A591 HydrophobicContact CB-CB 4Å; H588-A591 PolarHBondContact O-N 3.43Å; H588-L592 PolarHBondContact O-N 2.99Å
589	S	71.2	Confident	76.1	Confident	94 Å²	94	45.3 Å²	45.3	66%	0.657	25%	0.249	S	C	*	.	H	α-helix	trans	-56.2	-36.6	-173.2	56.8	0	0	0	0	114.7	L593	S589-L593 PolarHBondContact O-N 3.13Å
590	Q	71.6	Confident	76.4	Confident	114 Å²	114	42.7 Å²	42.7	53%	0.533	24%	0.236	S	C	.	.	H	α-helix	trans	-73.1	-41.2	178.9	-174.2	173.2	-12	0	0	112.7	H588 L593 L594	H588-Q590 VanDerWaalsContact C-N 3.3Å; H588-Q590 PolarHBondContact O-N 3.43Å; Q590-L593 PolarHBondContact O-N 3.44Å; Q590-L594 WeakPolarHBondContact O-CG 3.13Å; Q590-L594 PolarHBondContact O-N 3Å
591	A	74.6	Confident	76.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-36.7	177.2	0	0	0	0	0	111.4	L553 P557 I561 L585 H588 L594 Y595	L553-A591 HydrophobicContact CD2-CB 3.82Å; P557-A591 HydrophobicContact CB-CB 4.34Å; I561-A591 HydrophobicContact CD1-CB 4.22Å; L585-A591 HydrophobicContact CD2-CB 4.07Å; H588-A591 HydrophobicContact CB-CB 4Å; H588-A591 PolarHBondContact O-N 3.43Å; A591-L594 PolarHBondContact O-N 3.18Å; A591-Y595 WeakPolarHBondContact O-CB 3.21Å; A591-Y595 PolarHBondContact O-N 3.24Å
592	L	80.1	Confident	76.2	Confident	11 Å²	11	48.1 Å²	48.1	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-43.5	173.7	178.9	63.1	0	0	0	112.2	I582 L585 H588 Y595 L596 L617	I582-L592 HydrophobicContact CB-CD1 4.39Å; I582-L592 HydrophobicContact CG1-CD1 4.35Å; I582-L592 HydrophobicContact CG2-CD1 4.05Å; L585-L592 HydrophobicContact CB-CB 4.12Å; L585-L592 HydrophobicContact CB-CD1 4.08Å; H588-L592 PolarHBondContact O-N 2.99Å; L592-Y595 PolarHBondContact O-N 3.29Å; L592-L596 HydrophobicContact CD1-CD1 3.94Å; L592-L596 HydrophobicContact CD1-CG 4.27Å; L592-L596 HydrophobicContact CG-CD1 4Å; L592-L596 WeakPolarHBondContact O-CB 3.05Å; L592-L596 WeakPolarHBondContact O-CG 3.41Å; L592-L596 PolarHBondContact O-N 3.07Å; L592-L617 HydrophobicContact CD2-CD1 4.08Å; L592-L617 HydrophobicContact CG-CD1 4.06Å
593	L	80	Confident	76	Confident	36 Å²	36	51.8 Å²	51.8	19%	0.188	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-48.8	177.2	-175	153.8	0	0	0	111.1	S589 Q590 Y595 L596 E597 Y618	S589-L593 PolarHBondContact O-N 3.13Å; Q590-L593 PolarHBondContact O-N 3.44Å; L593-Y595 VanDerWaalsContact C-N 3.32Å; L593-Y595 PolarHBondContact O-N 3.14Å; L593-L596 PolarHBondContact O-N 2.74Å; L593-E597 HydrophobicContact CD2-CG 4.02Å; L593-E597 WeakPolarHBondContact O-CG 3.35Å; L593-E597 PolarHBondContact O-N 2.97Å; L593-Y618 HydrophobicContact CD1-CD1 4.3Å; L593-Y618 HydrophobicContact CD1-CE1 4.35Å; L593-Y618 HydrophobicContact CD2-CE1 4.32Å; L593-Y618 HydrophobicContact CG-CE1 4.37Å
594	L	77.1	Confident	75.9	Confident	52 Å²	52	55.2 Å²	55.2	27%	0.272	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-37.6	179.2	-66.9	174.1	0	0	0	112.4	T558 I561 Q590 A591 H598	T558-L594 HydrophobicContact CG2-CD1 4.18Å; I561-L594 HydrophobicContact CG2-CB 4.24Å; I561-L594 HydrophobicContact CG2-CD1 4.28Å; Q590-L594 WeakPolarHBondContact O-CG 3.13Å; Q590-L594 PolarHBondContact O-N 3Å; A591-L594 PolarHBondContact O-N 3.18Å; L594-H598 PolarHBondContact O-N 3.08Å
595	Y	79.2	Confident	75.9	Confident	10 Å²	10	55.7 Å²	55.7	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-43.5	175.9	-171.1	-115.8	0	0	0	112.3	I561 F564 T565 V581 I582 L585 A591 L592 L593 H598 L599	I561-Y595 HydrophobicContact CD1-CD2 4.12Å; I561-Y595 HydrophobicContact CD1-CG 4.22Å; I561-Y595 HydrophobicContact CG1-CD2 4.43Å; F564-Y595 HydrophobicContact CB-CD2 4.06Å; F564-Y595 HydrophobicContact CB-CE2 3.7Å; T565-Y595 HydrophobicContact CG2-CD2 3.83Å; T565-Y595 HydrophobicContact CG2-CE2 4.41Å; V581-Y595 HydrophobicContact CB-CE1 3.81Å; V581-Y595 HydrophobicContact CG1-CD1 3.93Å; V581-Y595 HydrophobicContact CG1-CD2 4.36Å; V581-Y595 HydrophobicContact CG1-CE1 3.49Å; V581-Y595 VanDerWaalsContact CG1-CE1 3.49Å; V581-Y595 HydrophobicContact CG1-CE2 4Å; V581-Y595 HydrophobicContact CG1-CG 4.35Å; I582-Y595 HydrophobicContact CG1-CD1 4.12Å; I582-Y595 HydrophobicContact CG1-CE1 4.08Å; L585-Y595 HydrophobicContact CD1-CD1 3.83Å; L585-Y595 HydrophobicContact CD1-CD2 4.38Å; L585-Y595 HydrophobicContact CD1-CG 3.69Å; A591-Y595 WeakPolarHBondContact O-CB 3.21Å; A591-Y595 PolarHBondContact O-N 3.24Å; L592-Y595 PolarHBondContact O-N 3.29Å; L593-Y595 VanDerWaalsContact C-N 3.32Å; L593-Y595 PolarHBondContact O-N 3.14Å; Y595-H598 PolarHBondContact O-N 3.27Å; Y595-L599 HydrophobicContact CD1-CD1 3.82Å; Y595-L599 HydrophobicContact CD1-CG 4.36Å; Y595-L599 HydrophobicContact CE1-CD1 3.4Å; Y595-L599 VanDerWaalsContact CE1-CD1 3.4Å; Y595-L599 HydrophobicContact CE1-CG 4.05Å; Y595-L599 WeakPolarHBondContact O-CG 3.3Å; Y595-L599 PolarHBondContact O-N 3.31Å
596	L	76.9	Confident	75.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-36.4	177.6	-73.2	168.5	0	0	0	112.3	I582 L592 L593 H598 L599 V600 F610 H613 L614 L617	I582-L596 HydrophobicContact CD1-CD2 3.85Å; I582-L596 HydrophobicContact CG1-CD2 4.2Å; L592-L596 HydrophobicContact CD1-CD1 3.94Å; L592-L596 HydrophobicContact CD1-CG 4.27Å; L592-L596 HydrophobicContact CG-CD1 4Å; L592-L596 WeakPolarHBondContact O-CB 3.05Å; L592-L596 WeakPolarHBondContact O-CG 3.41Å; L592-L596 PolarHBondContact O-N 3.07Å; L593-L596 PolarHBondContact O-N 2.74Å; L596-H598 VanDerWaalsContact C-N 3.35Å; L596-L599 HydrophobicContact CD2-CD1 4.46Å; L596-L599 PolarHBondContact O-N 2.99Å; L596-V600 WeakPolarHBondContact O-CB 3.41Å; L596-V600 WeakPolarHBondContact O-CG2 3.4Å; L596-V600 PolarHBondContact O-N 3.18Å; L596-F610 HydrophobicContact CD2-CB 4.29Å; L596-H613 HydrophobicContact CD1-CB 4.46Å; L596-H613 VanDerWaalsContact CD1-CD2 3.4Å; L596-H613 WeakPolarHBondContact CD1-CD2 3.24Å; L596-L614 HydrophobicContact CB-CB 4.37Å; L596-L614 HydrophobicContact CB-CD1 3.94Å; L596-L617 HydrophobicContact CD1-CD1 3.59Å
597	E	82.6	Confident	76.3	Confident	26 Å²	26	64 Å²	64	12%	0.121	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-48.4	170	-77.7	-171.8	158.9	0	0	110.6	L593 V600 L601 L614 Y618 K642	L593-E597 HydrophobicContact CD2-CG 4.02Å; L593-E597 WeakPolarHBondContact O-CG 3.35Å; L593-E597 PolarHBondContact O-N 2.97Å; E597-V600 PolarHBondContact O-N 3.47Å; E597-L601 HydrophobicContact CB-CD1 4.41Å; E597-L601 VanDerWaalsContact O-CB 3.26Å; E597-L601 WeakPolarHBondContact O-CB 3.33Å; E597-L601 PolarHBondContact O-N 3.06Å; E597-L614 HydrophobicContact CG-CD1 4.1Å; E597-Y618 VanDerWaalsContact CD-OH 3.26Å; E597-Y618 HydrophobicContact CG-CE1 4.34Å; E597-Y618 VanDerWaalsContact CG-OH 3.22Å; E597-Y618 WeakPolarHBondContact CG-OH 3.48Å; E597-Y618 WeakPolarHBondContact OE1-CE1 3.2Å; E597-Y618 PolarHBondContact OE1-OH 2.88Å; E597-K642 IonicContact OE1-NZ 3.45Å; E597-K642 PolarHBondContact OE1-NZ 3.49Å; E597-K642 IonicContact OE2-NZ 3.5Å
598	H	79.6	Confident	76.7	Confident	21 Å²	21	60.2 Å²	60.2	10%	0.097	29%	0.29	C	S	.	.	I	π-helix	trans	-61.4	-46	176.6	176.4	78.3	0	0	0	112.7	T565 L594 Y595 L596 V600 E602 R603	T565-H598 HydrophobicContact CG2-CB 3.81Å; T565-H598 PolarHBondContact O-NE2 3.42Å; L594-H598 PolarHBondContact O-N 3.08Å; Y595-H598 PolarHBondContact O-N 3.27Å; L596-H598 VanDerWaalsContact C-N 3.35Å; H598-V600 VanDerWaalsContact C-N 3.34Å; H598-V600 PolarHBondContact O-N 2.89Å; H598-E602 IonicContact CE1-OE2 2.94Å; H598-E602 PolarHBondContact CE1-OE2 3.37Å; H598-E602 VanDerWaalsContact CE1-OE2 3.23Å; H598-E602 IonicContact CG-OE2 3.79Å; H598-E602 IonicContact ND1-OE2 2.8Å; H598-E602 PolarHBondContact ND1-OE2 2.8Å; H598-E602 WeakPolarHBondContact O-CB 3.18Å; H598-E602 PolarHBondContact O-N 3.36Å; H598-E602 VanDerWaalsContact O-N 3.17Å; H598-R603 PolarHBondContact NE2-NE 2.78Å; H598-R603 PolarHBondContact O-N 3.48Å
599	L	78.4	Confident	76.9	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.021	31%	0.312	C	S	.	.	I	π-helix	trans	-63.5	-38.9	-179.7	-73.8	-179.7	0	0	0	113	P578 I582 Y595 L596 K604 M605	P578-L599 HydrophobicContact CB-CD1 4.16Å; I582-L599 HydrophobicContact CD1-CD1 4.28Å; Y595-L599 HydrophobicContact CD1-CD1 3.82Å; Y595-L599 HydrophobicContact CD1-CG 4.36Å; Y595-L599 HydrophobicContact CE1-CD1 3.4Å; Y595-L599 VanDerWaalsContact CE1-CD1 3.4Å; Y595-L599 HydrophobicContact CE1-CG 4.05Å; Y595-L599 WeakPolarHBondContact O-CG 3.3Å; Y595-L599 PolarHBondContact O-N 3.31Å; L596-L599 HydrophobicContact CD2-CD1 4.46Å; L596-L599 PolarHBondContact O-N 2.99Å; L599-K604 PolarHBondContact O-N 2.77Å; L599-M605 PolarHBondContact O-N 3.37Å
600	V	77.9	Confident	77.5	Confident	9 Å²	9	61.5 Å²	61.5	6%	0.055	28%	0.283	C	S	.	.	I	π-helix	trans	-86.4	-49.1	-174.6	171.4	0	0	0	0	111.8	L596 E597 H598 K604 F610 L614 M646	L596-V600 WeakPolarHBondContact O-CB 3.41Å; L596-V600 WeakPolarHBondContact O-CG2 3.4Å; L596-V600 PolarHBondContact O-N 3.18Å; E597-V600 PolarHBondContact O-N 3.47Å; H598-V600 VanDerWaalsContact C-N 3.34Å; H598-V600 PolarHBondContact O-N 2.89Å; V600-K604 WeakPolarHBondContact O-CA 3.44Å; V600-K604 PolarHBondContact O-N 3.02Å; V600-F610 HydrophobicContact CG2-CB 4.39Å; V600-L614 HydrophobicContact CB-CD2 3.77Å; V600-L614 HydrophobicContact CG1-CD2 3.9Å; V600-L614 HydrophobicContact CG2-CD2 3.88Å; V600-M646 HydrophobicContact CG1-SD 4.13Å
601	L	77.1	Confident	77.9	Confident	77 Å²	77	56.4 Å²	56.4	40%	0.403	26%	0.259	S	S	.	.	I	π-helix	trans	-86.1	-43.8	-171.8	-58.3	174.5	0	0	0	112.1	E597	E597-L601 HydrophobicContact CB-CD1 4.41Å; E597-L601 VanDerWaalsContact O-CB 3.26Å; E597-L601 WeakPolarHBondContact O-CB 3.33Å; E597-L601 PolarHBondContact O-N 3.06Å
602	E	73.3	Confident	78.4	Confident	142 Å²	142	57 Å²	57	66%	0.664	26%	0.263	S	S	*	.	I	π-helix	trans	-88.2	-50.5	-176.1	-60.9	-179.5	-167.8	0	0	111.9	H598	H598-E602 IonicContact CE1-OE2 2.94Å; H598-E602 PolarHBondContact CE1-OE2 3.37Å; H598-E602 VanDerWaalsContact CE1-OE2 3.23Å; H598-E602 IonicContact CG-OE2 3.79Å; H598-E602 IonicContact ND1-OE2 2.8Å; H598-E602 PolarHBondContact ND1-OE2 2.8Å; H598-E602 WeakPolarHBondContact O-CB 3.18Å; H598-E602 PolarHBondContact O-N 3.36Å; H598-E602 VanDerWaalsContact O-N 3.17Å
603	R	72.4	Confident	78.4	Confident	102 Å²	102	60.2 Å²	60.2	39%	0.385	28%	0.277	S	S	.	.	S	Bend	trans	-82.8	-10.7	179.8	-65.5	-161.5	-176.4	-152.2	-0.9	114.7	T565 H598 M605	T565-R603 PolarHBondContact O-NH2 3.09Å; H598-R603 PolarHBondContact NE2-NE 2.78Å; H598-R603 PolarHBondContact O-N 3.48Å; R603-M605 HydrophobicContact CB-CG 4.11Å; R603-M605 PolarHBondContact O-N 2.85Å; R603-M605 VanDerWaalsContact O-N 3.16Å
604	K	74	Confident	78.6	Confident	149 Å²	149	58.5 Å²	58.5	65%	0.648	27%	0.268	S	S	*	.			trans	51.4	34.8	178.7	-61.9	-176.4	178	179.2	0	114.7	L599 V600 Q606	L599-K604 PolarHBondContact O-N 2.77Å; V600-K604 WeakPolarHBondContact O-CA 3.44Å; V600-K604 PolarHBondContact O-N 3.02Å; K604-Q606 PolarHBondContact O-N 2.84Å; K604-Q606 PolarHBondContact O-NE2 3.5Å
605	M	74.5	Confident	79	Confident	66 Å²	66	56 Å²	56	33%	0.325	26%	0.255	S	S	.	.			trans	-61.1	132.3	-178.4	-70.2	-65.9	-72.7	0	0	111.4	L599 R603 K607 H611	L599-M605 PolarHBondContact O-N 3.37Å; R603-M605 HydrophobicContact CB-CG 4.11Å; R603-M605 PolarHBondContact O-N 2.85Å; R603-M605 VanDerWaalsContact O-N 3.16Å; M605-K607 VanDerWaalsContact C-N 3.34Å; M605-K607 PolarHBondContact O-N 3.26Å; M605-H611 PolarHBondContact O-NE2 3.2Å
606	Q	75.1	Confident	79.2	Confident	138 Å²	138	56.4 Å²	56.4	65%	0.645	26%	0.258	S	S	*	.			trans	-91.3	21.3	-172.9	-58.1	-69.3	-61.6	0	0	114.3	K604 L652	K604-Q606 PolarHBondContact O-N 2.84Å; K604-Q606 PolarHBondContact O-NE2 3.5Å; Q606-L652 HydrophobicContact CB-CD1 3.93Å; Q606-L652 VanDerWaalsContact CD-CD1 3.46Å; Q606-L652 HydrophobicContact CG-CD1 4.3Å
607	K	79.4	Confident	79.5	Confident	86 Å²	86	57.9 Å²	57.9	37%	0.374	27%	0.266	S	S	.	.			trans	-84.6	115.6	-179.2	-82	179.9	168.3	-175.2	0	111.1	D579 M605 K609 F610 H611	D579-K607 IonicContact OD2-NZ 3.07Å; D579-K607 PolarHBondContact OD2-NZ 3.45Å; M605-K607 VanDerWaalsContact C-N 3.34Å; M605-K607 PolarHBondContact O-N 3.26Å; K607-K609 PolarHBondContact O-N 3.35Å; K607-K609 VanDerWaalsContact O-N 3.11Å; K607-F610 HydrophobicContact CB-CD2 3.67Å; K607-F610 HydrophobicContact CB-CE2 3.89Å; K607-F610 HydrophobicContact CB-CG 4.18Å; K607-F610 HydrophobicContact CD-CD2 4.01Å; K607-F610 HydrophobicContact CD-CE1 4.46Å; K607-F610 HydrophobicContact CD-CE2 3.29Å; K607-F610 HydrophobicContact CD-CZ 3.55Å; K607-F610 HydrophobicContact CG-CD2 4.44Å; K607-F610 HydrophobicContact CG-CE2 4.17Å; K607-F610 PolarHBondContact O-N 3.1Å; K607-F610 VanDerWaalsContact O-N 3.08Å; K607-H611 PolarHBondContact O-CD2 3.16Å
608	E	80.4	Confident	79.5	Confident	86 Å²	86	57.3 Å²	57.3	40%	0.402	26%	0.263	S	S	.	.	H	α-helix	trans	-54.5	-35.1	-176.2	-171.2	-163.2	141.9	0	0	114.6	F610 T612 L652 R654	E608-F610 VanDerWaalsContact C-N 3.33Å; E608-F610 PolarHBondContact O-N 3.42Å; E608-T612 WeakPolarHBondContact O-CB 3.4Å; E608-T612 PolarHBondContact O-N 2.95Å; E608-T612 VanDerWaalsContact O-N 3.08Å; E608-T612 PolarHBondContact O-OG1 3.5Å; E608-L652 WeakPolarHBondContact CA-O 3.17Å; E608-R654 HydrophobicContact CG-CG 4.49Å; E608-R654 WeakPolarHBondContact OE1-CD 3.27Å; E608-R654 WeakPolarHBondContact OE1-CG 3.22Å; E608-R654 IonicContact OE1-CZ 2.92Å; E608-R654 IonicContact OE1-NE 2.73Å; E608-R654 PolarHBondContact OE1-NE 3.24Å; E608-R654 IonicContact OE1-NH2 2.74Å
609	K	80.6	Confident	79.6	Confident	155 Å²	155	57 Å²	57	67%	0.674	26%	0.262	S	S	*	.	H	α-helix	trans	-60.3	-39.9	179.5	-66.6	-176.7	-179.4	179	0	112.5	K607 H613	K607-K609 PolarHBondContact O-N 3.35Å; K607-K609 VanDerWaalsContact O-N 3.11Å; K609-H613 WeakPolarHBondContact O-CB 3.4Å; K609-H613 PolarHBondContact O-N 2.98Å
610	F	81.9	Confident	79.8	Confident	7 Å²	7	60 Å²	60	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-74.1	-42.8	-174.3	-58.8	-22.8	0	0	0	112	P578 D579 I582 L596 V600 K607 E608 T612 H613 L614	P578-F610 HydrophobicContact CB-CE2 4.1Å; P578-F610 HydrophobicContact CB-CZ 3.97Å; D579-F610 VanDerWaalsContact OD1-CE1 3.3Å; D579-F610 WeakPolarHBondContact OD1-CE1 3.23Å; I582-F610 HydrophobicContact CD1-CD1 3.54Å; I582-F610 HydrophobicContact CD1-CE1 3.31Å; I582-F610 HydrophobicContact CD1-CG 4.36Å; I582-F610 HydrophobicContact CD1-CZ 3.92Å; L596-F610 HydrophobicContact CD2-CB 4.29Å; V600-F610 HydrophobicContact CG2-CB 4.39Å; K607-F610 HydrophobicContact CB-CD2 3.67Å; K607-F610 HydrophobicContact CB-CE2 3.89Å; K607-F610 HydrophobicContact CB-CG 4.18Å; K607-F610 HydrophobicContact CD-CD2 4.01Å; K607-F610 HydrophobicContact CD-CE1 4.46Å; K607-F610 HydrophobicContact CD-CE2 3.29Å; K607-F610 HydrophobicContact CD-CZ 3.55Å; K607-F610 HydrophobicContact CG-CD2 4.44Å; K607-F610 HydrophobicContact CG-CE2 4.17Å; K607-F610 PolarHBondContact O-N 3.1Å; K607-F610 VanDerWaalsContact O-N 3.08Å; E608-F610 VanDerWaalsContact C-N 3.33Å; E608-F610 PolarHBondContact O-N 3.42Å; F610-T612 VanDerWaalsContact C-N 3.34Å; F610-H613 PolarHBondContact O-N 2.84Å; F610-L614 WeakPolarHBondContact O-CB 3.46Å; F610-L614 PolarHBondContact O-N 3.08Å
611	H	81.6	Confident	80	Confident	8 Å²	8	65 Å²	65	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-42.9	174.5	-70.8	-103.3	0	0	0	111.1	M605 K607 H613 L614 V615 M646 S650 L652	M605-H611 PolarHBondContact O-NE2 3.2Å; K607-H611 PolarHBondContact O-CD2 3.16Å; H611-H613 PolarHBondContact O-N 3.11Å; H611-L614 PolarHBondContact O-N 3.37Å; H611-V615 VanDerWaalsContact O-CG2 3.25Å; H611-V615 WeakPolarHBondContact O-CG2 3.42Å; H611-V615 PolarHBondContact O-N 3.35Å; H611-M646 HydrophobicContact CB-CE 3.86Å; H611-S650 PolarHBondContact CE1-OG 3.01Å; H611-S650 PolarHBondContact ND1-OG 3.12Å; H611-L652 HydrophobicContact CB-CB 4.45Å; H611-L652 WeakPolarHBondContact CB-O 3.48Å
612	T	84.2	Confident	80.2	Confident	13 Å²	13	61.4 Å²	61.4	8%	0.08	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-41.6	176	-53.3	0	0	0	0	111.4	E608 F610 V616 Y653 R654 F657	E608-T612 WeakPolarHBondContact O-CB 3.4Å; E608-T612 PolarHBondContact O-N 2.95Å; E608-T612 VanDerWaalsContact O-N 3.08Å; E608-T612 PolarHBondContact O-OG1 3.5Å; F610-T612 VanDerWaalsContact C-N 3.34Å; T612-V616 VanDerWaalsContact O-CG2 3.3Å; T612-V616 WeakPolarHBondContact O-CG2 3.47Å; T612-V616 PolarHBondContact O-N 2.96Å; T612-V616 VanDerWaalsContact O-N 3.1Å; T612-Y653 WeakPolarHBondContact OG1-CA 3.26Å; T612-R654 HydrophobicContact CG2-CB 4.21Å; T612-R654 PolarHBondContact OG1-N 3.06Å; T612-R654 VanDerWaalsContact OG1-N 3.12Å; T612-F657 HydrophobicContact CG2-CD1 3.99Å; T612-F657 HydrophobicContact CG2-CE1 4.38Å
613	H	81.2	Confident	80.6	Confident	78 Å²	78	61.3 Å²	61.3	36%	0.361	27%	0.271	S	S	.	.	H	α-helix	trans	-67.6	-42	178.9	-160.4	99.8	0	0	0	112.3	L596 K609 F610 H611 V616 L617	L596-H613 HydrophobicContact CD1-CB 4.46Å; L596-H613 VanDerWaalsContact CD1-CD2 3.4Å; L596-H613 WeakPolarHBondContact CD1-CD2 3.24Å; K609-H613 WeakPolarHBondContact O-CB 3.4Å; K609-H613 PolarHBondContact O-N 2.98Å; F610-H613 PolarHBondContact O-N 2.84Å; H611-H613 PolarHBondContact O-N 3.11Å; H613-V616 PolarHBondContact O-N 3.39Å; H613-L617 WeakPolarHBondContact O-CG 2.87Å; H613-L617 PolarHBondContact O-N 2.77Å
614	L	83.8	Confident	80.9	Confident	0 Å²	0	61 Å²	61	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-44.9	175.9	-179.6	61.9	0	0	0	111.7	L596 E597 V600 F610 H611 V616 L617 Y618	L596-L614 HydrophobicContact CB-CB 4.37Å; L596-L614 HydrophobicContact CB-CD1 3.94Å; E597-L614 HydrophobicContact CG-CD1 4.1Å; V600-L614 HydrophobicContact CB-CD2 3.77Å; V600-L614 HydrophobicContact CG1-CD2 3.9Å; V600-L614 HydrophobicContact CG2-CD2 3.88Å; F610-L614 WeakPolarHBondContact O-CB 3.46Å; F610-L614 PolarHBondContact O-N 3.08Å; H611-L614 PolarHBondContact O-N 3.37Å; L614-V616 VanDerWaalsContact C-N 3.3Å; L614-V616 PolarHBondContact O-N 2.97Å; L614-L617 PolarHBondContact O-N 3.16Å; L614-Y618 HydrophobicContact CD1-CD1 4.44Å; L614-Y618 HydrophobicContact CD1-CE1 4.03Å; L614-Y618 HydrophobicContact CD1-CE2 4.12Å; L614-Y618 HydrophobicContact CD2-CE2 4.29Å; L614-Y618 HydrophobicContact CG-CD2 4.3Å; L614-Y618 HydrophobicContact CG-CE2 3.98Å; L614-Y618 PolarHBondContact O-N 3.17Å
615	V	84	Confident	81.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-40.6	176.8	171.1	0	0	0	0	111.2	H611 Y618 L619 L643 M646 L647 Y653 V658	H611-V615 VanDerWaalsContact O-CG2 3.25Å; H611-V615 WeakPolarHBondContact O-CG2 3.42Å; H611-V615 PolarHBondContact O-N 3.35Å; V615-Y618 PolarHBondContact O-N 3.38Å; V615-L619 HydrophobicContact CG1-CD1 4.1Å; V615-L619 HydrophobicContact CG1-CG 4.49Å; V615-L619 WeakPolarHBondContact O-CB 3.39Å; V615-L619 VanDerWaalsContact O-CG 3.31Å; V615-L619 WeakPolarHBondContact O-CG 3.46Å; V615-L619 PolarHBondContact O-N 3.48Å; V615-L643 HydrophobicContact CG1-CD1 4.26Å; V615-M646 HydrophobicContact CG2-CE 3.68Å; V615-M646 HydrophobicContact CG2-CG 3.84Å; V615-L647 HydrophobicContact CG1-CD2 3.91Å; V615-L647 HydrophobicContact CG2-CD2 4.2Å; V615-Y653 HydrophobicContact CG2-CG 4.47Å; V615-V658 HydrophobicContact CG1-CB 4.41Å; V615-V658 HydrophobicContact CG1-CG1 3.6Å; V615-V658 HydrophobicContact CG1-CG2 3.81Å
616	V	84.3	Confident	81.2	Confident	17 Å²	17	53.1 Å²	53.1	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-44.4	175.5	170.8	0	0	0	0	111.4	T612 H613 L614 Y618 L619 D620 F657 K661	T612-V616 VanDerWaalsContact O-CG2 3.3Å; T612-V616 WeakPolarHBondContact O-CG2 3.47Å; T612-V616 PolarHBondContact O-N 2.96Å; T612-V616 VanDerWaalsContact O-N 3.1Å; H613-V616 PolarHBondContact O-N 3.39Å; L614-V616 VanDerWaalsContact C-N 3.3Å; L614-V616 PolarHBondContact O-N 2.97Å; V616-Y618 PolarHBondContact O-N 2.84Å; V616-L619 WeakPolarHBondContact O-CB 3.36Å; V616-L619 PolarHBondContact O-N 3.28Å; V616-D620 WeakPolarHBondContact CG1-OD2 3.37Å; V616-D620 WeakPolarHBondContact O-CB 3.42Å; V616-D620 VanDerWaalsContact O-CG 3.27Å; V616-D620 PolarHBondContact O-N 3.44Å; V616-F657 HydrophobicContact CG2-CE1 4.01Å; V616-K661 VanDerWaalsContact CG1-NZ 3.35Å; V616-K661 HydrophobicContact CG2-CD 4.32Å
617	L	82.9	Confident	81.2	Confident	32 Å²	32	50.7 Å²	50.7	17%	0.168	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-39	177.6	-70.5	177.1	0	0	0	112.6	L592 L596 H613 L614 D620 R621	L592-L617 HydrophobicContact CD2-CD1 4.08Å; L592-L617 HydrophobicContact CG-CD1 4.06Å; L596-L617 HydrophobicContact CD1-CD1 3.59Å; H613-L617 WeakPolarHBondContact O-CG 2.87Å; H613-L617 PolarHBondContact O-N 2.77Å; L614-L617 PolarHBondContact O-N 3.16Å; L617-D620 PolarHBondContact O-N 3.43Å; L617-R621 WeakPolarHBondContact O-CB 3.39Å; L617-R621 PolarHBondContact O-N 2.94Å
618	Y	83.1	Confident	81	Confident	13 Å²	13	51.3 Å²	51.3	5%	0.051	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-41.7	172.1	-74.7	-19.7	0	0	0	112.2	L593 E597 L614 V615 V616 R621 V622 K642 M646	L593-Y618 HydrophobicContact CD1-CD1 4.3Å; L593-Y618 HydrophobicContact CD1-CE1 4.35Å; L593-Y618 HydrophobicContact CD2-CE1 4.32Å; L593-Y618 HydrophobicContact CG-CE1 4.37Å; E597-Y618 VanDerWaalsContact CD-OH 3.26Å; E597-Y618 HydrophobicContact CG-CE1 4.34Å; E597-Y618 VanDerWaalsContact CG-OH 3.22Å; E597-Y618 WeakPolarHBondContact CG-OH 3.48Å; E597-Y618 WeakPolarHBondContact OE1-CE1 3.2Å; E597-Y618 PolarHBondContact OE1-OH 2.88Å; L614-Y618 HydrophobicContact CD1-CD1 4.44Å; L614-Y618 HydrophobicContact CD1-CE1 4.03Å; L614-Y618 HydrophobicContact CD1-CE2 4.12Å; L614-Y618 HydrophobicContact CD2-CE2 4.29Å; L614-Y618 HydrophobicContact CG-CD2 4.3Å; L614-Y618 HydrophobicContact CG-CE2 3.98Å; L614-Y618 PolarHBondContact O-N 3.17Å; V615-Y618 PolarHBondContact O-N 3.38Å; V616-Y618 PolarHBondContact O-N 2.84Å; Y618-R621 PolarHBondContact O-N 3.23Å; Y618-V622 WeakPolarHBondContact O-CB 3.46Å; Y618-V622 VanDerWaalsContact O-CG2 3.31Å; Y618-V622 WeakPolarHBondContact O-CG2 2.88Å; Y618-V622 PolarHBondContact O-N 3.08Å; Y618-K642 HydrophobicContact CE2-CB 4.48Å; Y618-M646 HydrophobicContact CD2-CB 4.38Å; Y618-M646 HydrophobicContact CE2-CB 4.12Å; Y618-M646 HydrophobicContact CE2-CG 4.42Å
619	L	82.1	Confident	80.1	Confident	14 Å²	14	52.6 Å²	52.6	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-44.9	174.9	-77.9	172	0	0	0	111.9	V615 V616 R621 V622 R623 L643 V658 M662 L668	V615-L619 HydrophobicContact CG1-CD1 4.1Å; V615-L619 HydrophobicContact CG1-CG 4.49Å; V615-L619 WeakPolarHBondContact O-CB 3.39Å; V615-L619 VanDerWaalsContact O-CG 3.31Å; V615-L619 WeakPolarHBondContact O-CG 3.46Å; V615-L619 PolarHBondContact O-N 3.48Å; V616-L619 WeakPolarHBondContact O-CB 3.36Å; V616-L619 PolarHBondContact O-N 3.28Å; L619-R621 VanDerWaalsContact C-N 3.33Å; L619-R621 PolarHBondContact O-N 2.65Å; L619-V622 PolarHBondContact O-N 2.98Å; L619-R623 VanDerWaalsContact O-CB 3.25Å; L619-R623 WeakPolarHBondContact O-CB 3.35Å; L619-R623 PolarHBondContact O-N 3.33Å; L619-L643 HydrophobicContact CD2-CD1 4.29Å; L619-L643 HydrophobicContact CD2-CD2 3.59Å; L619-L643 HydrophobicContact CG-CD1 4.13Å; L619-L643 HydrophobicContact CG-CD2 4.27Å; L619-V658 HydrophobicContact CD1-CG1 3.83Å; L619-M662 HydrophobicContact CD1-CG 3.95Å; L619-M662 HydrophobicContact CD1-SD 4.17Å; L619-M662 HydrophobicContact CD2-CE 4.25Å; L619-M662 HydrophobicContact CD2-CG 3.8Å; L619-M662 HydrophobicContact CD2-SD 3.89Å; L619-L668 HydrophobicContact CD2-CD1 4.03Å
620	D	82.6	Confident	79.1	Confident	68 Å²	68	51.2 Å²	51.2	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-38.9	178.5	-68.3	-24.4	0	0	0	110.6	V616 L617 R623 L624	V616-D620 WeakPolarHBondContact CG1-OD2 3.37Å; V616-D620 WeakPolarHBondContact O-CB 3.42Å; V616-D620 VanDerWaalsContact O-CG 3.27Å; V616-D620 PolarHBondContact O-N 3.44Å; L617-D620 PolarHBondContact O-N 3.43Å; D620-R623 PolarHBondContact O-N 3.28Å; D620-L624 WeakPolarHBondContact O-CB 3.38Å; D620-L624 VanDerWaalsContact O-CG 3.28Å; D620-L624 WeakPolarHBondContact O-CG 3.36Å; D620-L624 PolarHBondContact O-N 3.37Å
621	R	81.2	Confident	78.5	Confident	114 Å²	114	53.7 Å²	53.7	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-45.5	173.8	-176.8	61.8	177.9	173.9	4.6	112.4	L617 Y618 L619 R623 L624 L625	L617-R621 WeakPolarHBondContact O-CB 3.39Å; L617-R621 PolarHBondContact O-N 2.94Å; Y618-R621 PolarHBondContact O-N 3.23Å; L619-R621 VanDerWaalsContact C-N 3.33Å; L619-R621 PolarHBondContact O-N 2.65Å; R621-R623 VanDerWaalsContact C-N 3.32Å; R621-L624 PolarHBondContact O-N 2.95Å; R621-L625 HydrophobicContact CG-CD1 4.28Å; R621-L625 WeakPolarHBondContact O-CG 3.32Å; R621-L625 PolarHBondContact O-N 3Å
622	V	82.1	Confident	78.2	Confident	1 Å²	1	57 Å²	57	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-39	176.2	170.3	0	0	0	0	110.5	Y618 L619 L625 L626 L636 A639 R640 L643 L668	Y618-V622 WeakPolarHBondContact O-CB 3.46Å; Y618-V622 VanDerWaalsContact O-CG2 3.31Å; Y618-V622 WeakPolarHBondContact O-CG2 2.88Å; Y618-V622 PolarHBondContact O-N 3.08Å; L619-V622 PolarHBondContact O-N 2.98Å; V622-L625 PolarHBondContact O-N 3.41Å; V622-L626 HydrophobicContact CG1-CD1 3.8Å; V622-L626 HydrophobicContact CG1-CG 4.33Å; V622-L626 WeakPolarHBondContact O-CB 3.4Å; V622-L626 WeakPolarHBondContact O-CG 3.37Å; V622-L626 PolarHBondContact O-N 3.06Å; V622-L636 HydrophobicContact CG1-CD1 4.21Å; V622-A639 HydrophobicContact CG2-CB 3.83Å; V622-R640 HydrophobicContact CG1-CG 4.03Å; V622-R640 HydrophobicContact CG2-CG 4.28Å; V622-L643 HydrophobicContact CG2-CD2 4.43Å; V622-L668 HydrophobicContact CG1-CD2 4.14Å
623	R	80.3	Confident	77.6	Confident	141 Å²	141	63.5 Å²	63.5	53%	0.532	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-41.5	177.5	-170.3	177.2	177.9	154.8	1.8	112.2	L619 D620 R621 L626 S627	L619-R623 VanDerWaalsContact O-CB 3.25Å; L619-R623 WeakPolarHBondContact O-CB 3.35Å; L619-R623 PolarHBondContact O-N 3.33Å; D620-R623 PolarHBondContact O-N 3.28Å; R621-R623 VanDerWaalsContact C-N 3.32Å; R623-L626 PolarHBondContact O-N 2.99Å; R623-S627 PolarHBondContact O-N 3.42Å; R623-S627 VanDerWaalsContact O-N 3.09Å; R623-S627 PolarHBondContact O-OG 3.42Å
624	L	79.7	Confident	77.2	Confident	96 Å²	96	61.7 Å²	61.7	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-50.9	173.8	-76.2	167.3	0	0	0	110.9	D620 R621 L626 S627 E628	D620-L624 WeakPolarHBondContact O-CB 3.38Å; D620-L624 VanDerWaalsContact O-CG 3.28Å; D620-L624 WeakPolarHBondContact O-CG 3.36Å; D620-L624 PolarHBondContact O-N 3.37Å; R621-L624 PolarHBondContact O-N 2.95Å; L624-L626 VanDerWaalsContact C-N 3.27Å; L624-L626 PolarHBondContact O-N 3.14Å; L624-S627 WeakPolarHBondContact CA-OG 3.46Å; L624-S627 WeakPolarHBondContact O-CA 3.38Å; L624-S627 PolarHBondContact O-N 3.39Å; L624-S627 PolarHBondContact O-OG 2.97Å; L624-E628 PolarHBondContact O-N 3.21Å
625	L	77.9	Confident	76.8	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-31.8	178.2	-68.2	169.6	0	0	0	112.8	R621 V622 S627 L636 A639	R621-L625 HydrophobicContact CG-CD1 4.28Å; R621-L625 WeakPolarHBondContact O-CG 3.32Å; R621-L625 PolarHBondContact O-N 3Å; V622-L625 PolarHBondContact O-N 3.41Å; L625-S627 VanDerWaalsContact C-N 3.29Å; L625-L636 HydrophobicContact CB-CD1 4.11Å; L625-A639 HydrophobicContact CD1-CB 3.94Å
626	L	76.6	Confident	76.5	Confident	44 Å²	44	66.9 Å²	66.9	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-73.1	-19.8	173.4	-76.4	169.8	0	0	0	113.6	V622 R623 L624 L636 K667	V622-L626 HydrophobicContact CG1-CD1 3.8Å; V622-L626 HydrophobicContact CG1-CG 4.33Å; V622-L626 WeakPolarHBondContact O-CB 3.4Å; V622-L626 WeakPolarHBondContact O-CG 3.37Å; V622-L626 PolarHBondContact O-N 3.06Å; R623-L626 PolarHBondContact O-N 2.99Å; L624-L626 VanDerWaalsContact C-N 3.27Å; L624-L626 PolarHBondContact O-N 3.14Å; L626-L636 HydrophobicContact CD2-CD1 3.96Å; L626-L636 HydrophobicContact CD2-CD2 3.81Å; L626-L636 HydrophobicContact CG-CD1 3.88Å; L626-K667 HydrophobicContact CD2-CD 4.29Å
627	S	75.1	Confident	76.4	Confident	87 Å²	87	69.6 Å²	69.6	61%	0.608	38%	0.377	S	S	*	.	H	α-helix	trans	-94.5	-16.8	177.7	66.3	0	0	0	0	113.6	R623 L624 L625	R623-S627 PolarHBondContact O-N 3.42Å; R623-S627 VanDerWaalsContact O-N 3.09Å; R623-S627 PolarHBondContact O-OG 3.42Å; L624-S627 WeakPolarHBondContact CA-OG 3.46Å; L624-S627 WeakPolarHBondContact O-CA 3.38Å; L624-S627 PolarHBondContact O-N 3.39Å; L624-S627 PolarHBondContact O-OG 2.97Å; L625-S627 VanDerWaalsContact C-N 3.29Å
628	E	75.6	Confident	76.2	Confident	99 Å²	99	76.7 Å²	76.7	46%	0.463	40%	0.402	S	S	.	.	S	Bend	trans	-76.4	133.1	176.2	-76.8	176.4	177.1	0	0	111.6	L624 T631	L624-E628 PolarHBondContact O-N 3.21Å; E628-T631 PolarHBondContact O-N 3.17Å; E628-T631 PolarHBondContact O-OG1 3.2Å
629	S	62	Low	76	Confident	112 Å²	112	76.9 Å²	76.9	78%	0.783	41%	0.406	S	S	*	.	S	Bend	trans	-124.3	117.9	174.8	58.9	0	0	0	0	110.2
630	P	60.1	Low	76	Confident	127 Å²	127	79 Å²	79	83%	0.825	41%	0.413	S	S	*	.	S	Bend	cis	-76.9	143.8	4.5	31.9	-34.3	0	0	0	113	D632	P630-D632 PolarHBondContact O-N 2.93Å
631	T	69.1	Low	76	Confident	59 Å²	59	81.1 Å²	81.1	36%	0.362	42%	0.421	S	S	.	.			trans	-76.5	122.3	178	-51.6	0	0	0	0	110.2	E628 E633 L636	E628-T631 PolarHBondContact O-N 3.17Å; E628-T631 PolarHBondContact O-OG1 3.2Å; T631-E633 PolarHBondContact O-N 2.71Å; T631-E633 VanDerWaalsContact O-N 3.08Å; T631-L636 HydrophobicContact CG2-CB 4.43Å; T631-L636 HydrophobicContact CG2-CD2 3.82Å
632	D	74.3	Confident	76.1	Confident	76 Å²	76	80.6 Å²	80.6	41%	0.406	42%	0.422	S	S	.	.			trans	-74.5	92.9	168.2	-175	-11.3	0	0	0	109	P630 G634 Q635 L636	P630-D632 PolarHBondContact O-N 2.93Å; D632-G634 PolarHBondContact O-N 3.27Å; D632-G634 PolarHBondContact OD1-N 2.58Å; D632-Q635 HydrophobicContact CB-CB 4.27Å; D632-Q635 PolarHBondContact O-N 3.1Å; D632-Q635 PolarHBondContact OD1-N 3.32Å; D632-Q635 VanDerWaalsContact OD2-CD 3.25Å; D632-Q635 VanDerWaalsContact OD2-CG 3.25Å; D632-Q635 WeakPolarHBondContact OD2-CG 3.39Å; D632-Q635 PolarHBondContact OD2-NE2 3.32Å; D632-L636 WeakPolarHBondContact O-CB 3.08Å; D632-L636 PolarHBondContact O-N 3.34Å
633	E	71.1	Confident	76.2	Confident	150 Å²	150	80.6 Å²	80.6	70%	0.701	42%	0.421	S	S	*	.	H	α-helix	trans	-58.4	-28.9	-177.2	-65.9	-151.7	152.9	0	0	112.9	T631 T637	T631-E633 PolarHBondContact O-N 2.71Å; T631-E633 VanDerWaalsContact O-N 3.08Å; E633-T637 WeakPolarHBondContact O-CB 3.48Å; E633-T637 PolarHBondContact O-N 3.35Å; E633-T637 PolarHBondContact O-OG1 2.72Å
634	G	74	Confident	76.4	Confident	40 Å²	40	75.3 Å²	75.3	41%	0.412	40%	0.403	S	S	.	.	H	α-helix	trans	-69.4	-44.8	178.3	0	0	0	0	0	112.4	D632 R638	D632-G634 PolarHBondContact O-N 3.27Å; D632-G634 PolarHBondContact OD1-N 2.58Å; G634-R638 WeakPolarHBondContact O-CG 3.34Å; G634-R638 PolarHBondContact O-N 2.64Å
635	Q	74	Confident	76.6	Confident	89 Å²	89	72.6 Å²	72.6	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-70.6	-37.2	175.4	-72.9	-174.2	41.7	0	0	112.3	D632 R638 A639	D632-Q635 HydrophobicContact CB-CB 4.27Å; D632-Q635 PolarHBondContact O-N 3.1Å; D632-Q635 PolarHBondContact OD1-N 3.32Å; D632-Q635 VanDerWaalsContact OD2-CD 3.25Å; D632-Q635 VanDerWaalsContact OD2-CG 3.25Å; D632-Q635 WeakPolarHBondContact OD2-CG 3.39Å; D632-Q635 PolarHBondContact OD2-NE2 3.32Å; Q635-R638 PolarHBondContact O-N 3.2Å; Q635-A639 WeakPolarHBondContact O-CB 3.35Å; Q635-A639 PolarHBondContact O-N 2.96Å
636	L	79.2	Confident	76.9	Confident	21 Å²	21	72.6 Å²	72.6	11%	0.11	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-45.6	176.5	179.4	63.9	0	0	0	111.3	V622 L625 L626 T631 D632 A639 R640	V622-L636 HydrophobicContact CG1-CD1 4.21Å; L625-L636 HydrophobicContact CB-CD1 4.11Å; L626-L636 HydrophobicContact CD2-CD1 3.96Å; L626-L636 HydrophobicContact CD2-CD2 3.81Å; L626-L636 HydrophobicContact CG-CD1 3.88Å; T631-L636 HydrophobicContact CG2-CB 4.43Å; T631-L636 HydrophobicContact CG2-CD2 3.82Å; D632-L636 WeakPolarHBondContact O-CB 3.08Å; D632-L636 PolarHBondContact O-N 3.34Å; L636-A639 PolarHBondContact O-N 2.91Å; L636-R640 HydrophobicContact CD1-CG 4.32Å; L636-R640 WeakPolarHBondContact O-CG 3.39Å; L636-R640 PolarHBondContact O-N 3.15Å
637	T	80.8	Confident	77.2	Confident	74 Å²	74	70.5 Å²	70.5	45%	0.454	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-48.3	179.4	-56.5	0	0	0	0	110.9	E633 A639 R640 E641	E633-T637 WeakPolarHBondContact O-CB 3.48Å; E633-T637 PolarHBondContact O-N 3.35Å; E633-T637 PolarHBondContact O-OG1 2.72Å; T637-A639 VanDerWaalsContact C-N 3.34Å; T637-A639 PolarHBondContact O-N 3.21Å; T637-R640 PolarHBondContact O-N 3.39Å; T637-E641 WeakPolarHBondContact O-CG 3.14Å; T637-E641 PolarHBondContact O-N 3.12Å
638	R	80.1	Confident	77.6	Confident	181 Å²	181	71.1 Å²	71.1	68%	0.683	37%	0.372	S	S	*	.	H	α-helix	trans	-60.6	-40.6	176.8	-70.5	175.8	-179.3	179.6	1.6	112.9	G634 Q635 K642	G634-R638 WeakPolarHBondContact O-CG 3.34Å; G634-R638 PolarHBondContact O-N 2.64Å; Q635-R638 PolarHBondContact O-N 3.2Å; R638-K642 WeakPolarHBondContact O-CG 3.25Å; R638-K642 PolarHBondContact O-N 3.04Å; R638-K642 VanDerWaalsContact O-N 3.08Å
639	A	78.9	Confident	77.8	Confident	17 Å²	17	73.1 Å²	73.1	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-66.7	-38.7	177.7	0	0	0	0	0	111.9	V622 L625 Q635 L636 T637 L643	V622-A639 HydrophobicContact CG2-CB 3.83Å; L625-A639 HydrophobicContact CD1-CB 3.94Å; Q635-A639 WeakPolarHBondContact O-CB 3.35Å; Q635-A639 PolarHBondContact O-N 2.96Å; L636-A639 PolarHBondContact O-N 2.91Å; T637-A639 VanDerWaalsContact C-N 3.34Å; T637-A639 PolarHBondContact O-N 3.21Å; A639-L643 PolarHBondContact O-N 3.48Å; A639-L643 VanDerWaalsContact O-N 3.12Å
640	R	81.3	Confident	78.7	Confident	58 Å²	58	68.2 Å²	68.2	22%	0.219	35%	0.347	C	S	.	.	H	α-helix	trans	-68.6	-40.8	175.4	-71.2	-172.5	80.7	166.8	10	112.5	V622 L636 T637 L643 Q644 K667 E671	V622-R640 HydrophobicContact CG1-CG 4.03Å; V622-R640 HydrophobicContact CG2-CG 4.28Å; L636-R640 HydrophobicContact CD1-CG 4.32Å; L636-R640 WeakPolarHBondContact O-CG 3.39Å; L636-R640 PolarHBondContact O-N 3.15Å; T637-R640 PolarHBondContact O-N 3.39Å; R640-L643 PolarHBondContact O-N 2.84Å; R640-Q644 WeakPolarHBondContact O-CB 3.26Å; R640-Q644 VanDerWaalsContact O-CG 3.23Å; R640-Q644 WeakPolarHBondContact O-CG 3.3Å; R640-Q644 PolarHBondContact O-N 3.27Å; R640-K667 PolarHBondContact NH2-O 2.74Å; R640-E671 IonicContact CZ-OE1 3.75Å; R640-E671 IonicContact NE-OE1 2.81Å; R640-E671 PolarHBondContact NE-OE1 3.47Å; R640-E671 IonicContact NH2-OE1 3.62Å; R640-E671 PolarHBondContact NH2-OE1 3.17Å; R640-E671 VanDerWaalsContact NH2-OE1 3.16Å; R640-E671 IonicContact NH2-OE2 3.57Å; R640-E671 PolarHBondContact NH2-OE2 2.91Å
641	E	82.9	Confident	79.6	Confident	112 Å²	112	67.8 Å²	67.8	52%	0.523	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-46.1	175	-74.2	171.9	171	0	0	111.5	T637 L643 Q644 A645	T637-E641 WeakPolarHBondContact O-CG 3.14Å; T637-E641 PolarHBondContact O-N 3.12Å; E641-L643 PolarHBondContact O-N 3.49Å; E641-Q644 PolarHBondContact O-N 3.1Å; E641-A645 WeakPolarHBondContact O-CB 3.48Å; E641-A645 PolarHBondContact O-N 3.41Å
642	K	82.6	Confident	80	Confident	104 Å²	104	67.3 Å²	67.3	45%	0.452	33%	0.333	S	S	.	.	H	α-helix	trans	-58.2	-45.4	174.8	-78.6	-172.6	166.1	-157.2	0	112.4	E597 Y618 R638 M646	E597-K642 IonicContact OE1-NZ 3.45Å; E597-K642 PolarHBondContact OE1-NZ 3.49Å; E597-K642 IonicContact OE2-NZ 3.5Å; Y618-K642 HydrophobicContact CE2-CB 4.48Å; R638-K642 WeakPolarHBondContact O-CG 3.25Å; R638-K642 PolarHBondContact O-N 3.04Å; R638-K642 VanDerWaalsContact O-N 3.08Å; K642-M646 WeakPolarHBondContact O-CB 3.22Å; K642-M646 PolarHBondContact O-N 2.94Å; K642-M646 VanDerWaalsContact O-N 3.09Å
643	L	85.5	Confident	80.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-47.3	176.7	175.9	64.5	0	0	0	111.2	V615 L619 V622 A639 R640 E641 M646 L647 E671	V615-L643 HydrophobicContact CG1-CD1 4.26Å; L619-L643 HydrophobicContact CD2-CD1 4.29Å; L619-L643 HydrophobicContact CD2-CD2 3.59Å; L619-L643 HydrophobicContact CG-CD1 4.13Å; L619-L643 HydrophobicContact CG-CD2 4.27Å; V622-L643 HydrophobicContact CG2-CD2 4.43Å; A639-L643 PolarHBondContact O-N 3.48Å; A639-L643 VanDerWaalsContact O-N 3.12Å; R640-L643 PolarHBondContact O-N 2.84Å; E641-L643 PolarHBondContact O-N 3.49Å; L643-M646 PolarHBondContact O-N 3.22Å; L643-L647 HydrophobicContact CD1-CD1 4.22Å; L643-L647 HydrophobicContact CD1-CG 4.21Å; L643-L647 HydrophobicContact CG-CD1 4.16Å; L643-L647 HydrophobicContact CG-CG 4.49Å; L643-L647 VanDerWaalsContact O-CG 3.29Å; L643-L647 WeakPolarHBondContact O-CG 3.46Å; L643-L647 PolarHBondContact O-N 3.21Å; L643-E671 HydrophobicContact CD2-CG 4.14Å
644	Q	84.4	Confident	80.9	Confident	31 Å²	31	64 Å²	64	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-41.6	-179.8	-73.2	170.4	21.3	0	0	112.3	R640 E641 L647 R648 E671	R640-Q644 WeakPolarHBondContact O-CB 3.26Å; R640-Q644 VanDerWaalsContact O-CG 3.23Å; R640-Q644 WeakPolarHBondContact O-CG 3.3Å; R640-Q644 PolarHBondContact O-N 3.27Å; E641-Q644 PolarHBondContact O-N 3.1Å; Q644-L647 PolarHBondContact O-N 3.26Å; Q644-R648 WeakPolarHBondContact O-CB 3.46Å; Q644-R648 VanDerWaalsContact O-CG 3.28Å; Q644-R648 WeakPolarHBondContact O-CG 3.44Å; Q644-R648 PolarHBondContact O-N 3.31Å; Q644-E671 HydrophobicContact CG-CG 3.79Å; Q644-E671 PolarHBondContact NE2-OE1 3.38Å
645	A	82.9	Confident	81.3	Confident	38 Å²	38	63.2 Å²	63.2	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-50.9	175	0	0	0	0	0	110.7	E641 L647 R648 E649	E641-A645 WeakPolarHBondContact O-CB 3.48Å; E641-A645 PolarHBondContact O-N 3.41Å; A645-L647 PolarHBondContact O-N 2.98Å; A645-R648 PolarHBondContact O-N 3.04Å; A645-R648 VanDerWaalsContact O-N 3.12Å; A645-E649 WeakPolarHBondContact O-CB 3.4Å; A645-E649 WeakPolarHBondContact O-CG 3.43Å; A645-E649 PolarHBondContact O-N 2.98Å
646	M	84.4	Confident	81.6	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-42.2	178.8	173	46.3	-156.2	0	0	112.7	V600 H611 V615 Y618 K642 L643 R648 S650 Y653	V600-M646 HydrophobicContact CG1-SD 4.13Å; H611-M646 HydrophobicContact CB-CE 3.86Å; V615-M646 HydrophobicContact CG2-CE 3.68Å; V615-M646 HydrophobicContact CG2-CG 3.84Å; Y618-M646 HydrophobicContact CD2-CB 4.38Å; Y618-M646 HydrophobicContact CE2-CB 4.12Å; Y618-M646 HydrophobicContact CE2-CG 4.42Å; K642-M646 WeakPolarHBondContact O-CB 3.22Å; K642-M646 PolarHBondContact O-N 2.94Å; K642-M646 VanDerWaalsContact O-N 3.09Å; L643-M646 PolarHBondContact O-N 3.22Å; M646-R648 VanDerWaalsContact C-N 3.29Å; M646-R648 PolarHBondContact O-N 2.89Å; M646-S650 WeakPolarHBondContact O-CB 3.35Å; M646-S650 PolarHBondContact O-N 3.37Å; M646-S650 VanDerWaalsContact SD-CB 3.54Å; M646-Y653 HydrophobicContact CE-CD1 4Å
647	L	83.8	Confident	81.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-32.8	176.5	-70.3	-179.5	0	0	0	113.1	V615 L643 Q644 A645 Y653 E671 T674 L675 K678	V615-L647 HydrophobicContact CG1-CD2 3.91Å; V615-L647 HydrophobicContact CG2-CD2 4.2Å; L643-L647 HydrophobicContact CD1-CD1 4.22Å; L643-L647 HydrophobicContact CD1-CG 4.21Å; L643-L647 HydrophobicContact CG-CD1 4.16Å; L643-L647 HydrophobicContact CG-CG 4.49Å; L643-L647 VanDerWaalsContact O-CG 3.29Å; L643-L647 WeakPolarHBondContact O-CG 3.46Å; L643-L647 PolarHBondContact O-N 3.21Å; Q644-L647 PolarHBondContact O-N 3.26Å; A645-L647 PolarHBondContact O-N 2.98Å; L647-Y653 HydrophobicContact CD2-CE1 4.24Å; L647-Y653 HydrophobicContact CD2-CE2 3.96Å; L647-Y653 PolarHBondContact O-OH 2.93Å; L647-E671 HydrophobicContact CD1-CB 3.91Å; L647-E671 HydrophobicContact CD1-CG 4.28Å; L647-T674 HydrophobicContact CB-CG2 4.26Å; L647-L675 HydrophobicContact CD2-CD2 3.83Å; L647-K678 WeakPolarHBondContact O-CE 3.5Å
648	R	82	Confident	81.9	Confident	100 Å²	100	67 Å²	67	38%	0.377	31%	0.306	S	S	.	.	H	α-helix	trans	-78.1	-45.6	178.2	-73.4	175.5	-176.5	178.8	2.9	112.1	Q644 A645 M646 T674 K678 W705	Q644-R648 WeakPolarHBondContact O-CB 3.46Å; Q644-R648 VanDerWaalsContact O-CG 3.28Å; Q644-R648 WeakPolarHBondContact O-CG 3.44Å; Q644-R648 PolarHBondContact O-N 3.31Å; A645-R648 PolarHBondContact O-N 3.04Å; A645-R648 VanDerWaalsContact O-N 3.12Å; M646-R648 VanDerWaalsContact C-N 3.29Å; M646-R648 PolarHBondContact O-N 2.89Å; R648-T674 HydrophobicContact CG-CG2 3.79Å; R648-K678 PolarHBondContact O-NZ 2.9Å; R648-W705 HydrophobicContact CB-CZ2 4.35Å; R648-W705 HydrophobicContact CG-CZ2 4.38Å
649	E	79.7	Confident	81.8	Confident	141 Å²	141	59.2 Å²	59.2	66%	0.659	28%	0.278	S	S	*	.	H	α-helix	trans	-77.7	-40.3	-171.4	-70.6	177	-173.9	0	0	113.1	A645	A645-E649 WeakPolarHBondContact O-CB 3.4Å; A645-E649 WeakPolarHBondContact O-CG 3.43Å; A645-E649 PolarHBondContact O-N 2.98Å
650	S	81.9	Confident	81.9	Confident	10 Å²	10	60.4 Å²	60.4	7%	0.07	29%	0.292	C	S	.	.			trans	-89.5	146.3	-179.4	-175.7	0	0	0	0	112.7	H611 M646 L652 Y653	H611-S650 PolarHBondContact CE1-OG 3.01Å; H611-S650 PolarHBondContact ND1-OG 3.12Å; M646-S650 WeakPolarHBondContact O-CB 3.35Å; M646-S650 PolarHBondContact O-N 3.37Å; M646-S650 VanDerWaalsContact SD-CB 3.54Å; S650-L652 PolarHBondContact OG-N 3.47Å; S650-L652 VanDerWaalsContact OG-N 3.15Å; S650-Y653 VanDerWaalsContact O-CE1 3.26Å; S650-Y653 WeakPolarHBondContact O-CE1 3.5Å
651	N	78.6	Confident	81.6	Confident	118 Å²	118	61.7 Å²	61.7	63%	0.631	30%	0.299	S	S	*	.			trans	-113.4	1.7	170.2	-64.5	-40	0	0	0	112.3	K678	N651-K678 WeakPolarHBondContact OD1-CE 3.44Å; N651-K678 PolarHBondContact OD1-NZ 2.93Å
652	L	77.2	Confident	81.2	Confident	49 Å²	49	56.5 Å²	56.5	26%	0.257	28%	0.275	S	S	.	.			trans	-106.6	40.1	-164.9	-57.3	171	0	0	0	112.1	Q606 E608 H611 S650	Q606-L652 HydrophobicContact CB-CD1 3.93Å; Q606-L652 VanDerWaalsContact CD-CD1 3.46Å; Q606-L652 HydrophobicContact CG-CD1 4.3Å; E608-L652 WeakPolarHBondContact CA-O 3.17Å; H611-L652 HydrophobicContact CB-CB 4.45Å; H611-L652 WeakPolarHBondContact CB-O 3.48Å; S650-L652 PolarHBondContact OG-N 3.47Å; S650-L652 VanDerWaalsContact OG-N 3.15Å
653	Y	82.4	Confident	80.3	Confident	10 Å²	10	56.9 Å²	56.9	4%	0.039	28%	0.278	C	S	.	.	S	Bend	trans	-130.6	158.5	175.7	58.9	-95	0	0	0	110.9	T612 V615 M646 L647 S650 V655 V658 L675	T612-Y653 WeakPolarHBondContact OG1-CA 3.26Å; V615-Y653 HydrophobicContact CG2-CG 4.47Å; M646-Y653 HydrophobicContact CE-CD1 4Å; L647-Y653 HydrophobicContact CD2-CE1 4.24Å; L647-Y653 HydrophobicContact CD2-CE2 3.96Å; L647-Y653 PolarHBondContact O-OH 2.93Å; S650-Y653 VanDerWaalsContact O-CE1 3.26Å; S650-Y653 WeakPolarHBondContact O-CE1 3.5Å; Y653-V655 HydrophobicContact CD2-CG2 4.1Å; Y653-V655 HydrophobicContact CE2-CB 4.34Å; Y653-V655 HydrophobicContact CE2-CG2 3.76Å; Y653-V655 PolarHBondContact O-N 2.71Å; Y653-V658 HydrophobicContact CD2-CG2 4.12Å; Y653-L675 HydrophobicContact CE2-CD2 3.52Å
654	R	82.8	Confident	79.2	Confident	145 Å²	145	60.9 Å²	60.9	55%	0.547	31%	0.306	S	S	.	.			trans	-73.1	88.9	178.7	-68.1	-174.5	176.9	-173.1	-2.9	111.3	E608 T612 Q656 F657 V658	E608-R654 HydrophobicContact CG-CG 4.49Å; E608-R654 WeakPolarHBondContact OE1-CD 3.27Å; E608-R654 WeakPolarHBondContact OE1-CG 3.22Å; E608-R654 IonicContact OE1-CZ 2.92Å; E608-R654 IonicContact OE1-NE 2.73Å; E608-R654 PolarHBondContact OE1-NE 3.24Å; E608-R654 IonicContact OE1-NH2 2.74Å; T612-R654 HydrophobicContact CG2-CB 4.21Å; T612-R654 PolarHBondContact OG1-N 3.06Å; T612-R654 VanDerWaalsContact OG1-N 3.12Å; R654-Q656 VanDerWaalsContact C-N 3.32Å; R654-Q656 PolarHBondContact O-N 3.39Å; R654-F657 HydrophobicContact CB-CB 3.71Å; R654-F657 PolarHBondContact O-N 3.09Å; R654-F657 VanDerWaalsContact O-N 3.09Å; R654-V658 WeakPolarHBondContact O-CG2 3.25Å; R654-V658 PolarHBondContact O-N 3.29Å
655	V	81.5	Confident	78.4	Confident	25 Å²	25	60.8 Å²	60.8	15%	0.152	31%	0.309	C	S	.	.	H	α-helix	trans	-54.4	-45.4	-176	-172	0	0	0	0	112	Y653 F657 V658 L659 L675 K678 L679	Y653-V655 HydrophobicContact CD2-CG2 4.1Å; Y653-V655 HydrophobicContact CE2-CB 4.34Å; Y653-V655 HydrophobicContact CE2-CG2 3.76Å; Y653-V655 PolarHBondContact O-N 2.71Å; V655-F657 PolarHBondContact O-N 3.03Å; V655-V658 PolarHBondContact O-N 2.92Å; V655-L659 VanDerWaalsContact O-CB 3.25Å; V655-L659 WeakPolarHBondContact O-CB 3.37Å; V655-L659 PolarHBondContact O-N 3.01Å; V655-L675 HydrophobicContact CG1-CB 4.18Å; V655-L675 HydrophobicContact CG1-CD2 4Å; V655-K678 HydrophobicContact CG1-CB 4.41Å; V655-K678 HydrophobicContact CG2-CB 4.38Å; V655-L679 HydrophobicContact CB-CD2 3.97Å; V655-L679 HydrophobicContact CB-CG 4.39Å; V655-L679 HydrophobicContact CG1-CD1 4.06Å; V655-L679 HydrophobicContact CG1-CD2 3.77Å; V655-L679 HydrophobicContact CG1-CG 3.62Å
656	Q	81.4	Confident	77.6	Confident	158 Å²	158	65.2 Å²	65.2	74%	0.738	33%	0.327	S	S	*	.	H	α-helix	trans	-65.2	-37.4	178.7	-68.4	177.5	-7	0	0	113.3	R654 G660 L679	R654-Q656 VanDerWaalsContact C-N 3.32Å; R654-Q656 PolarHBondContact O-N 3.39Å; Q656-G660 PolarHBondContact O-N 3.46Å; Q656-L679 HydrophobicContact CG-CD2 4.38Å
657	F	82.3	Confident	77.1	Confident	105 Å²	105	72 Å²	72	46%	0.461	36%	0.356	S	S	.	.	H	α-helix	trans	-70	-42.8	178.9	177	-100.7	0	0	0	111.8	T612 V616 R654 V655 K661	T612-F657 HydrophobicContact CG2-CD1 3.99Å; T612-F657 HydrophobicContact CG2-CE1 4.38Å; V616-F657 HydrophobicContact CG2-CE1 4.01Å; R654-F657 HydrophobicContact CB-CB 3.71Å; R654-F657 PolarHBondContact O-N 3.09Å; R654-F657 VanDerWaalsContact O-N 3.09Å; V655-F657 PolarHBondContact O-N 3.03Å; F657-K661 HydrophobicContact CE1-CD 4.22Å; F657-K661 HydrophobicContact CZ-CD 4.36Å; F657-K661 PolarHBondContact O-N 3.22Å
658	V	82.6	Confident	76.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-65	-42.7	176	177.3	0	0	0	0	110.2	V615 L619 Y653 R654 V655 G660 K661 M662 L675	V615-V658 HydrophobicContact CG1-CB 4.41Å; V615-V658 HydrophobicContact CG1-CG1 3.6Å; V615-V658 HydrophobicContact CG1-CG2 3.81Å; L619-V658 HydrophobicContact CD1-CG1 3.83Å; Y653-V658 HydrophobicContact CD2-CG2 4.12Å; R654-V658 WeakPolarHBondContact O-CG2 3.25Å; R654-V658 PolarHBondContact O-N 3.29Å; V655-V658 PolarHBondContact O-N 2.92Å; V658-G660 PolarHBondContact O-N 3.32Å; V658-K661 PolarHBondContact O-N 3.49Å; V658-M662 HydrophobicContact CG1-SD 3.88Å; V658-M662 WeakPolarHBondContact O-CG 3.4Å; V658-M662 PolarHBondContact O-N 3.46Å; V658-M662 VanDerWaalsContact O-N 3.16Å; V658-L675 HydrophobicContact CG1-CD1 3.97Å; V658-L675 HydrophobicContact CG1-CD2 4.29Å
659	L	79.6	Confident	76.6	Confident	18 Å²	18	69.2 Å²	69.2	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-45.6	177.6	-167.1	122.7	0	0	0	111.8	V655 K661 M662 E663 L675 L679	V655-L659 VanDerWaalsContact O-CB 3.25Å; V655-L659 WeakPolarHBondContact O-CB 3.37Å; V655-L659 PolarHBondContact O-N 3.01Å; L659-K661 VanDerWaalsContact C-N 3.29Å; L659-K661 PolarHBondContact O-N 3.16Å; L659-M662 CarbonylContact O-C 3.45Å; L659-M662 PolarHBondContact O-N 3.25Å; L659-E663 HydrophobicContact CD2-CG 4.45Å; L659-E663 WeakPolarHBondContact CD2-OE1 3.5Å; L659-E663 WeakPolarHBondContact O-CG 3.34Å; L659-E663 PolarHBondContact O-N 2.59Å; L659-L675 HydrophobicContact CB-CD1 4.25Å; L659-L675 HydrophobicContact CD1-CB 3.89Å; L659-L675 HydrophobicContact CD1-CD1 4.28Å; L659-L679 HydrophobicContact CD1-CD1 4.48Å
660	G	79.4	Confident	76.6	Confident	41 Å²	41	64 Å²	64	42%	0.423	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-33.3	176.3	0	0	0	0	0	113.9	Q656 V658 M662	Q656-G660 PolarHBondContact O-N 3.46Å; V658-G660 PolarHBondContact O-N 3.32Å; G660-M662 VanDerWaalsContact C-N 3.32Å
661	K	75.4	Confident	76.7	Confident	86 Å²	86	63.5 Å²	63.5	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-72.2	-23.7	172.6	-79.1	-166.1	170.4	-165.6	0	113.6	V616 F657 V658 L659 S664	V616-K661 VanDerWaalsContact CG1-NZ 3.35Å; V616-K661 HydrophobicContact CG2-CD 4.32Å; F657-K661 HydrophobicContact CE1-CD 4.22Å; F657-K661 HydrophobicContact CZ-CD 4.36Å; F657-K661 PolarHBondContact O-N 3.22Å; V658-K661 PolarHBondContact O-N 3.49Å; L659-K661 VanDerWaalsContact C-N 3.29Å; L659-K661 PolarHBondContact O-N 3.16Å; K661-S664 PolarHBondContact O-OG 2.82Å
662	M	74	Confident	76.8	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-93.7	-18.5	-177.9	-70.5	177.6	71.1	0	0	113.6	L619 V658 L659 G660 S664 C665 L668 E671 R672 L675	L619-M662 HydrophobicContact CD1-CG 3.95Å; L619-M662 HydrophobicContact CD1-SD 4.17Å; L619-M662 HydrophobicContact CD2-CE 4.25Å; L619-M662 HydrophobicContact CD2-CG 3.8Å; L619-M662 HydrophobicContact CD2-SD 3.89Å; V658-M662 HydrophobicContact CG1-SD 3.88Å; V658-M662 WeakPolarHBondContact O-CG 3.4Å; V658-M662 PolarHBondContact O-N 3.46Å; V658-M662 VanDerWaalsContact O-N 3.16Å; L659-M662 CarbonylContact O-C 3.45Å; L659-M662 PolarHBondContact O-N 3.25Å; G660-M662 VanDerWaalsContact C-N 3.32Å; M662-S664 PolarHBondContact O-N 2.92Å; M662-C665 PolarHBondContact O-N 3.44Å; M662-L668 HydrophobicContact CE-CB 3.76Å; M662-L668 HydrophobicContact CE-CD1 4.03Å; M662-L668 HydrophobicContact CE-CG 4.48Å; M662-L668 HydrophobicContact CG-CD1 4.44Å; M662-E671 HydrophobicContact CE-CB 3.26Å; M662-E671 HydrophobicContact CE-CG 4.32Å; M662-R672 HydrophobicContact CB-CG 4.4Å; M662-R672 HydrophobicContact CE-CG 4.16Å; M662-L675 HydrophobicContact CE-CD1 4.36Å; M662-L675 HydrophobicContact SD-CD1 3.47Å; M662-L675 WeakPolarHBondContact SD-CD1 3.35Å
663	E	64.6	Low	77	Confident	113 Å²	113	57.3 Å²	57.3	53%	0.528	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28	177.4	-82.1	176.4	176.9	0	0	113.1	L659 C665	L659-E663 HydrophobicContact CD2-CG 4.45Å; L659-E663 WeakPolarHBondContact CD2-OE1 3.5Å; L659-E663 WeakPolarHBondContact O-CG 3.34Å; L659-E663 PolarHBondContact O-N 2.59Å; E663-C665 VanDerWaalsContact C-N 3.26Å; E663-C665 PolarHBondContact O-N 2.91Å
664	S	61.6	Low	77.1	Confident	84 Å²	84	57.1 Å²	57.1	59%	0.587	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-5.1	176.8	60.3	0	0	0	0	115	K661 M662	K661-S664 PolarHBondContact O-OG 2.82Å; M662-S664 PolarHBondContact O-N 2.92Å
665	C	67.9	Low	77.2	Confident	29 Å²	29	50.2 Å²	50.2	20%	0.196	26%	0.26	C	S	.	.			trans	-123.2	104.7	-174.9	-68.9	0	0	0	0	112.3	M662 E663 K667 L668	M662-C665 PolarHBondContact O-N 3.44Å; E663-C665 VanDerWaalsContact C-N 3.26Å; E663-C665 PolarHBondContact O-N 2.91Å; C665-K667 PolarHBondContact O-N 3.46Å; C665-K667 VanDerWaalsContact O-N 3.15Å; C665-L668 HydrophobicContact CB-CD1 4.11Å; C665-L668 HydrophobicContact CB-CG 4.37Å; C665-L668 PolarHBondContact O-N 3.19Å
666	D	66.3	Low	77.3	Confident	131 Å²	131	49.9 Å²	49.9	70%	0.701	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.2	-179.6	-73.5	-27.5	0	0	0	114.7	L669	D666-L669 WeakPolarHBondContact O-CG 3.31Å
667	K	73.6	Confident	77.3	Confident	147 Å²	147	42.6 Å²	42.6	64%	0.639	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.3	-177.8	-62.9	-176.2	179.9	-179.2	0	114.3	L626 R640 C665	L626-K667 HydrophobicContact CD2-CD 4.29Å; R640-K667 PolarHBondContact NH2-O 2.74Å; C665-K667 PolarHBondContact O-N 3.46Å; C665-K667 VanDerWaalsContact O-N 3.15Å
668	L	78.7	Confident	77.3	Confident	8 Å²	8	40 Å²	40	4%	0.042	21%	0.213	C	C	.	.			trans	-102.1	43.3	-174.8	-62.8	175.4	0	0	0	113.1	L619 V622 M662 C665 E671 R672	L619-L668 HydrophobicContact CD2-CD1 4.03Å; V622-L668 HydrophobicContact CG1-CD2 4.14Å; M662-L668 HydrophobicContact CE-CB 3.76Å; M662-L668 HydrophobicContact CE-CD1 4.03Å; M662-L668 HydrophobicContact CE-CG 4.48Å; M662-L668 HydrophobicContact CG-CD1 4.44Å; C665-L668 HydrophobicContact CB-CD1 4.11Å; C665-L668 HydrophobicContact CB-CG 4.37Å; C665-L668 PolarHBondContact O-N 3.19Å; L668-E671 VanDerWaalsContact C-OE2 3.3Å; L668-E671 WeakPolarHBondContact CA-OE2 3.42Å; L668-R672 WeakPolarHBondContact O-CG 3.35Å; L668-R672 PolarHBondContact O-N 3.48Å; L668-R672 VanDerWaalsContact O-N 3.12Å
669	L	77.7	Confident	77.3	Confident	33 Å²	33	42.8 Å²	42.8	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-70.4	-33.7	-173.1	-65.9	173	0	0	0	113.8	D666 R672 A673 I688 K692 L693	D666-L669 WeakPolarHBondContact O-CG 3.31Å; L669-R672 PolarHBondContact O-N 2.92Å; L669-A673 PolarHBondContact O-N 2.87Å; L669-I688 HydrophobicContact CB-CG2 4.17Å; L669-I688 HydrophobicContact CD2-CG2 4.5Å; L669-K692 HydrophobicContact CD1-CB 4.43Å; L669-L693 HydrophobicContact CB-CD1 3.8Å; L669-L693 HydrophobicContact CB-CD2 3.86Å; L669-L693 HydrophobicContact CB-CG 3.84Å; L669-L693 HydrophobicContact CD1-CD2 3.92Å; L669-L693 HydrophobicContact CD1-CG 4.2Å
670	L	79.6	Confident	77.3	Confident	32 Å²	32	47.3 Å²	47.3	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-71.2	-41.9	-179.4	-173.2	69.7	0	0	0	111.2	R672 A673 T674 L689 L693	L670-R672 VanDerWaalsContact C-N 3.32Å; L670-A673 PolarHBondContact O-N 3.06Å; L670-T674 PolarHBondContact O-N 3.04Å; L670-T674 PolarHBondContact O-OG1 3.5Å; L670-L689 HydrophobicContact CD1-CD2 3.64Å; L670-L693 HydrophobicContact CB-CD1 4.27Å; L670-L693 HydrophobicContact CD1-CD1 4.39Å
671	E	84	Confident	77.5	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-39.9	174.9	-62.2	84.1	175.1	0	0	110.5	R640 L643 Q644 L647 M662 L668 T674 L675	R640-E671 IonicContact CZ-OE1 3.75Å; R640-E671 IonicContact NE-OE1 2.81Å; R640-E671 PolarHBondContact NE-OE1 3.47Å; R640-E671 IonicContact NH2-OE1 3.62Å; R640-E671 PolarHBondContact NH2-OE1 3.17Å; R640-E671 VanDerWaalsContact NH2-OE1 3.16Å; R640-E671 IonicContact NH2-OE2 3.57Å; R640-E671 PolarHBondContact NH2-OE2 2.91Å; L643-E671 HydrophobicContact CD2-CG 4.14Å; Q644-E671 HydrophobicContact CG-CG 3.79Å; Q644-E671 PolarHBondContact NE2-OE1 3.38Å; L647-E671 HydrophobicContact CD1-CB 3.91Å; L647-E671 HydrophobicContact CD1-CG 4.28Å; M662-E671 HydrophobicContact CE-CB 3.26Å; M662-E671 HydrophobicContact CE-CG 4.32Å; L668-E671 VanDerWaalsContact C-OE2 3.3Å; L668-E671 WeakPolarHBondContact CA-OE2 3.42Å; E671-T674 WeakPolarHBondContact O-CB 3.48Å; E671-T674 PolarHBondContact O-N 3.35Å; E671-L675 WeakPolarHBondContact O-CG 3.46Å; E671-L675 PolarHBondContact O-N 3.11Å
672	R	81.3	Confident	77.9	Confident	35 Å²	35	44.8 Å²	44.8	13%	0.132	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-44	173	-74.6	173.2	67.8	170.4	8.6	113	M662 L668 L669 L670 T674 L675 H676	M662-R672 HydrophobicContact CB-CG 4.4Å; M662-R672 HydrophobicContact CE-CG 4.16Å; L668-R672 WeakPolarHBondContact O-CG 3.35Å; L668-R672 PolarHBondContact O-N 3.48Å; L668-R672 VanDerWaalsContact O-N 3.12Å; L669-R672 PolarHBondContact O-N 2.92Å; L670-R672 VanDerWaalsContact C-N 3.32Å; R672-T674 VanDerWaalsContact C-N 3.26Å; R672-T674 PolarHBondContact O-N 3.01Å; R672-L675 PolarHBondContact O-N 3.41Å; R672-H676 PolarHBondContact O-CD2 3.05Å; R672-H676 VanDerWaalsContact O-CD2 3.22Å; R672-H676 PolarHBondContact O-N 2.95Å
673	A	81.4	Confident	78.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-39	175.9	0	0	0	0	0	111.6	L669 L670 H676 G677 A685 I688 L689	L669-A673 PolarHBondContact O-N 2.87Å; L670-A673 PolarHBondContact O-N 3.06Å; A673-H676 PolarHBondContact O-N 3.16Å; A673-G677 PolarHBondContact O-N 3.34Å; A673-A685 WeakPolarHBondContact O-CB 3.3Å; A673-I688 HydrophobicContact CB-CB 4.31Å; A673-I688 HydrophobicContact CB-CG2 4.13Å; A673-L689 HydrophobicContact CB-CD1 4.21Å; A673-L689 HydrophobicContact CB-CD2 3.75Å; A673-L689 HydrophobicContact CB-CG 3.73Å
674	T	84.1	Confident	78.8	Confident	6 Å²	6	48 Å²	48	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-43.4	175.6	-53.9	0	0	0	0	111.6	L647 R648 L670 E671 R672 G677 K678 W705	L647-T674 HydrophobicContact CB-CG2 4.26Å; R648-T674 HydrophobicContact CG-CG2 3.79Å; L670-T674 PolarHBondContact O-N 3.04Å; L670-T674 PolarHBondContact O-OG1 3.5Å; E671-T674 WeakPolarHBondContact O-CB 3.48Å; E671-T674 PolarHBondContact O-N 3.35Å; R672-T674 VanDerWaalsContact C-N 3.26Å; R672-T674 PolarHBondContact O-N 3.01Å; T674-G677 PolarHBondContact O-N 3.46Å; T674-K678 PolarHBondContact O-N 3.14Å; T674-K678 VanDerWaalsContact O-N 3.15Å; T674-W705 HydrophobicContact CG2-CH2 4.07Å; T674-W705 HydrophobicContact CG2-CZ2 4.36Å
675	L	84.4	Confident	79.9	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-45.1	176.9	-67.8	174.1	0	0	0	113	L647 Y653 V655 V658 L659 M662 E671 R672 G677 K678 L679	L647-L675 HydrophobicContact CD2-CD2 3.83Å; Y653-L675 HydrophobicContact CE2-CD2 3.52Å; V655-L675 HydrophobicContact CG1-CB 4.18Å; V655-L675 HydrophobicContact CG1-CD2 4Å; V658-L675 HydrophobicContact CG1-CD1 3.97Å; V658-L675 HydrophobicContact CG1-CD2 4.29Å; L659-L675 HydrophobicContact CB-CD1 4.25Å; L659-L675 HydrophobicContact CD1-CB 3.89Å; L659-L675 HydrophobicContact CD1-CD1 4.28Å; M662-L675 HydrophobicContact CE-CD1 4.36Å; M662-L675 HydrophobicContact SD-CD1 3.47Å; M662-L675 WeakPolarHBondContact SD-CD1 3.35Å; E671-L675 WeakPolarHBondContact O-CG 3.46Å; E671-L675 PolarHBondContact O-N 3.11Å; R672-L675 PolarHBondContact O-N 3.41Å; L675-G677 PolarHBondContact O-N 3.33Å; L675-K678 WeakPolarHBondContact O-CB 3.31Å; L675-K678 PolarHBondContact O-N 2.73Å; L675-L679 PolarHBondContact O-N 3.36Å; L675-L679 VanDerWaalsContact O-N 3.12Å
676	H	82.8	Confident	80.6	Confident	18 Å²	18	42.6 Å²	42.6	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-35.1	174.6	-77.6	-69.1	0	0	0	111.7	R672 A673 K678 L679 E680 E681 A685	R672-H676 PolarHBondContact O-CD2 3.05Å; R672-H676 VanDerWaalsContact O-CD2 3.22Å; R672-H676 PolarHBondContact O-N 2.95Å; A673-H676 PolarHBondContact O-N 3.16Å; H676-K678 VanDerWaalsContact C-N 3.33Å; H676-K678 PolarHBondContact O-N 2.92Å; H676-L679 PolarHBondContact O-N 3.41Å; H676-L679 VanDerWaalsContact O-N 3.16Å; H676-E680 PolarHBondContact O-N 3.16Å; H676-E681 HydrophobicContact CB-CB 4.43Å; H676-E681 IonicContact CE1-OE2 3.03Å; H676-E681 IonicContact CG-OE2 3.52Å; H676-E681 IonicContact ND1-OE2 3.16Å; H676-E681 PolarHBondContact ND1-OE2 2.74Å; H676-E681 PolarHBondContact O-N 3.45Å; H676-E681 VanDerWaalsContact O-N 3.08Å; H676-A685 HydrophobicContact CB-CB 3.92Å
677	G	82.2	Confident	81.3	Confident	6 Å²	6	40.5 Å²	40.5	6%	0.062	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-35.8	172	0	0	0	0	0	114.3	A673 T674 L675 L679 E680 H682 F702	A673-G677 PolarHBondContact O-N 3.34Å; T674-G677 PolarHBondContact O-N 3.46Å; L675-G677 PolarHBondContact O-N 3.33Å; G677-L679 VanDerWaalsContact C-N 3.33Å; G677-E680 PolarHBondContact O-N 3.16Å; G677-H682 PolarHBondContact O-CE1 3.18Å; G677-F702 VanDerWaalsContact CA-CZ 3.49Å
678	K	81.3	Confident	81.7	Confident	51 Å²	51	33.9 Å²	33.9	22%	0.222	16%	0.163	C	C	.	.	H	α-helix	trans	-70.5	-28.1	173.3	-66.8	-68.5	-166.1	-175.2	0	112.8	L647 R648 N651 V655 T674 L675 H676 E680 W705	L647-K678 WeakPolarHBondContact O-CE 3.5Å; R648-K678 PolarHBondContact O-NZ 2.9Å; N651-K678 WeakPolarHBondContact OD1-CE 3.44Å; N651-K678 PolarHBondContact OD1-NZ 2.93Å; V655-K678 HydrophobicContact CG1-CB 4.41Å; V655-K678 HydrophobicContact CG2-CB 4.38Å; T674-K678 PolarHBondContact O-N 3.14Å; T674-K678 VanDerWaalsContact O-N 3.15Å; L675-K678 WeakPolarHBondContact O-CB 3.31Å; L675-K678 PolarHBondContact O-N 2.73Å; H676-K678 VanDerWaalsContact C-N 3.33Å; H676-K678 PolarHBondContact O-N 2.92Å; K678-E680 PolarHBondContact O-N 3.12Å; K678-W705 HydrophobicContact CD-CH2 3.81Å; K678-W705 HydrophobicContact CD-CZ2 4.08Å; K678-W705 VanDerWaalsContact CE-CZ2 3.43Å; K678-W705 HydrophobicContact CG-CH2 4.11Å
679	L	83	Confident	81.9	Confident	58 Å²	58	33.6 Å²	33.6	30%	0.304	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	2.6	173.8	-67	173.5	0	0	0	113.4	V655 Q656 L659 L675 H676 G677 E681	V655-L679 HydrophobicContact CB-CD2 3.97Å; V655-L679 HydrophobicContact CB-CG 4.39Å; V655-L679 HydrophobicContact CG1-CD1 4.06Å; V655-L679 HydrophobicContact CG1-CD2 3.77Å; V655-L679 HydrophobicContact CG1-CG 3.62Å; Q656-L679 HydrophobicContact CG-CD2 4.38Å; L659-L679 HydrophobicContact CD1-CD1 4.48Å; L675-L679 PolarHBondContact O-N 3.36Å; L675-L679 VanDerWaalsContact O-N 3.12Å; H676-L679 PolarHBondContact O-N 3.41Å; H676-L679 VanDerWaalsContact O-N 3.16Å; G677-L679 VanDerWaalsContact C-N 3.33Å; L679-E681 HydrophobicContact CB-CG 4.08Å; L679-E681 PolarHBondContact O-N 3.3Å; L679-E681 VanDerWaalsContact O-N 3.16Å
680	E	79.6	Confident	82	Confident	112 Å²	112	32 Å²	32	52%	0.523	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	11.9	-172.8	-53.1	-166.8	143.8	0	0	114.5	H676 G677 K678 H682 R710	H676-E680 PolarHBondContact O-N 3.16Å; G677-E680 PolarHBondContact O-N 3.16Å; K678-E680 PolarHBondContact O-N 3.12Å; E680-H682 PolarHBondContact O-CD2 2.98Å; E680-H682 PolarHBondContact O-N 3.45Å; E680-R710 IonicContact OE1-CZ 3.36Å; E680-R710 IonicContact OE1-NH1 2.69Å; E680-R710 PolarHBondContact OE1-NH1 3.26Å; E680-R710 IonicContact OE1-NH2 3.74Å; E680-R710 PolarHBondContact OE1-NH2 3.47Å
681	E	84.5	Confident	82	Confident	56 Å²	56	32.8 Å²	32.8	26%	0.262	16%	0.156	S	C	.	.			trans	-81.6	60.8	171.3	-59	-173.4	140	0	0	110	H676 L679 D683 K684 A685	H676-E681 HydrophobicContact CB-CB 4.43Å; H676-E681 IonicContact CE1-OE2 3.03Å; H676-E681 IonicContact CG-OE2 3.52Å; H676-E681 IonicContact ND1-OE2 3.16Å; H676-E681 PolarHBondContact ND1-OE2 2.74Å; H676-E681 PolarHBondContact O-N 3.45Å; H676-E681 VanDerWaalsContact O-N 3.08Å; L679-E681 HydrophobicContact CB-CG 4.08Å; L679-E681 PolarHBondContact O-N 3.3Å; L679-E681 VanDerWaalsContact O-N 3.16Å; E681-D683 VanDerWaalsContact C-N 3.26Å; E681-D683 VanDerWaalsContact C-OD1 3.28Å; E681-D683 PolarHBondContact O-N 3.05Å; E681-K684 HydrophobicContact CB-CB 4.38Å; E681-K684 HydrophobicContact CB-CD 4.22Å; E681-K684 HydrophobicContact CB-CG 4.49Å; E681-K684 VanDerWaalsContact CD-NZ 3.31Å; E681-K684 PolarHBondContact O-N 3.15Å; E681-K684 IonicContact OE1-NZ 3.05Å; E681-K684 PolarHBondContact OE1-NZ 2.88Å; E681-K684 WeakPolarHBondContact OE2-CD 3.28Å; E681-K684 IonicContact OE2-NZ 3.98Å; E681-K684 PolarHBondContact OE2-NZ 2.8Å; E681-A685 PolarHBondContact O-N 3.35Å
682	H	82.9	Confident	81.7	Confident	19 Å²	19	38.3 Å²	38.3	9%	0.088	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-30.2	-174.2	-61.7	-55.6	0	0	0	113	G677 E680 L686 F702 Y714 L718 L721	G677-H682 PolarHBondContact O-CE1 3.18Å; E680-H682 PolarHBondContact O-CD2 2.98Å; E680-H682 PolarHBondContact O-N 3.45Å; H682-L686 VanDerWaalsContact O-CB 3.3Å; H682-L686 WeakPolarHBondContact O-CB 3.33Å; H682-L686 WeakPolarHBondContact O-CG 3.46Å; H682-L686 PolarHBondContact O-N 3.48Å; H682-F702 AromaticContact ND1-CE1 3.97Å; H682-F702 AromaticContact ND1-CZ 3.82Å; H682-Y714 PolarHBondContact NE2-OH 3.11Å; H682-L718 HydrophobicContact CB-CD2 3.95Å; H682-L721 HydrophobicContact CB-CD2 3.94Å
683	D	78.4	Confident	81.5	Confident	88 Å²	88	39.7 Å²	39.7	47%	0.471	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-50.4	173	60.6	-47.6	0	0	0	111.5	E681 H687	E681-D683 VanDerWaalsContact C-N 3.26Å; E681-D683 VanDerWaalsContact C-OD1 3.28Å; E681-D683 PolarHBondContact O-N 3.05Å; D683-H687 VanDerWaalsContact O-CB 3.24Å; D683-H687 WeakPolarHBondContact O-CB 3.42Å; D683-H687 PolarHBondContact O-N 3.21Å
684	K	80.6	Confident	81.3	Confident	94 Å²	94	46.2 Å²	46.2	41%	0.409	21%	0.214	S	C	.	.	H	α-helix	trans	-68.1	-40.3	178.4	-63.1	179.2	-167.7	166.5	0	111.6	E681 H687 I688	E681-K684 HydrophobicContact CB-CB 4.38Å; E681-K684 HydrophobicContact CB-CD 4.22Å; E681-K684 HydrophobicContact CB-CG 4.49Å; E681-K684 VanDerWaalsContact CD-NZ 3.31Å; E681-K684 PolarHBondContact O-N 3.15Å; E681-K684 IonicContact OE1-NZ 3.05Å; E681-K684 PolarHBondContact OE1-NZ 2.88Å; E681-K684 WeakPolarHBondContact OE2-CD 3.28Å; E681-K684 IonicContact OE2-NZ 3.98Å; E681-K684 PolarHBondContact OE2-NZ 2.8Å; K684-H687 PolarHBondContact O-N 3.07Å; K684-I688 VanDerWaalsContact O-CG1 3.25Å; K684-I688 WeakPolarHBondContact O-CG1 3.44Å; K684-I688 PolarHBondContact O-N 3.34Å
685	A	83.9	Confident	81.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-49.5	177.8	0	0	0	0	0	111.8	A673 H676 E681 I688 L689 F702	A673-A685 WeakPolarHBondContact O-CB 3.3Å; H676-A685 HydrophobicContact CB-CB 3.92Å; E681-A685 PolarHBondContact O-N 3.35Å; A685-I688 PolarHBondContact O-N 3.12Å; A685-L689 WeakPolarHBondContact O-CG 3.48Å; A685-L689 PolarHBondContact O-N 3.39Å; A685-L689 VanDerWaalsContact O-N 3.09Å; A685-F702 HydrophobicContact CB-CE1 4.08Å; A685-F702 HydrophobicContact CB-CE2 4.05Å; A685-F702 HydrophobicContact CB-CZ 3.54Å
686	L	82.4	Confident	81	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-38.7	177.5	-69.7	178.7	0	0	0	111.4	H682 I688 L689 V690 A699 F702 L721 L722 V725	H682-L686 VanDerWaalsContact O-CB 3.3Å; H682-L686 WeakPolarHBondContact O-CB 3.33Å; H682-L686 WeakPolarHBondContact O-CG 3.46Å; H682-L686 PolarHBondContact O-N 3.48Å; L686-I688 VanDerWaalsContact C-N 3.3Å; L686-I688 PolarHBondContact O-N 3.04Å; L686-L689 PolarHBondContact O-N 3.43Å; L686-V690 VanDerWaalsContact O-CB 3.31Å; L686-V690 WeakPolarHBondContact O-CB 3.44Å; L686-V690 VanDerWaalsContact O-CG2 3.24Å; L686-V690 WeakPolarHBondContact O-CG2 3.46Å; L686-V690 PolarHBondContact O-N 3.35Å; L686-A699 HydrophobicContact CD2-CB 4.46Å; L686-F702 HydrophobicContact CD2-CD1 3.62Å; L686-F702 HydrophobicContact CD2-CE1 4.05Å; L686-F702 HydrophobicContact CG-CD1 4.31Å; L686-F702 HydrophobicContact CG-CE1 4.24Å; L686-L721 HydrophobicContact CD1-CB 4.49Å; L686-L721 HydrophobicContact CD1-CD2 4.02Å; L686-L721 HydrophobicContact CD1-CG 4.11Å; L686-L722 HydrophobicContact CD1-CB 4.2Å; L686-L722 HydrophobicContact CD1-CD1 4.44Å; L686-L722 HydrophobicContact CD2-CD1 3.97Å; L686-V725 HydrophobicContact CB-CG2 4.45Å
687	H	81.4	Confident	81	Confident	87 Å²	87	53.6 Å²	53.6	40%	0.403	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-37.4	174.7	-175	-67.7	0	0	0	112.3	D683 K684 H691 K692	D683-H687 VanDerWaalsContact O-CB 3.24Å; D683-H687 WeakPolarHBondContact O-CB 3.42Å; D683-H687 PolarHBondContact O-N 3.21Å; K684-H687 PolarHBondContact O-N 3.07Å; H687-H691 AromaticContact CD2-CD2 3.35Å; H687-H691 PolarHBondContact CD2-CD2 2.86Å; H687-H691 AromaticContact CE1-CD2 3.99Å; H687-H691 AromaticContact CG-CD2 3.69Å; H687-H691 AromaticContact NE2-CD2 3.59Å; H687-H691 AromaticContact NE2-CG 3.97Å; H687-H691 WeakPolarHBondContact O-CB 3.2Å; H687-H691 PolarHBondContact O-N 3.29Å; H687-K692 PolarHBondContact O-N 2.87Å
688	I	82.1	Confident	81	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.041	26%	0.263	C	S	.	.	I	π-helix	trans	-65.8	-46.1	174.7	-67.3	164	0	0	0	110.7	L669 A673 K684 A685 L686 K692 L693	L669-I688 HydrophobicContact CB-CG2 4.17Å; L669-I688 HydrophobicContact CD2-CG2 4.5Å; A673-I688 HydrophobicContact CB-CB 4.31Å; A673-I688 HydrophobicContact CB-CG2 4.13Å; K684-I688 VanDerWaalsContact O-CG1 3.25Å; K684-I688 WeakPolarHBondContact O-CG1 3.44Å; K684-I688 PolarHBondContact O-N 3.34Å; A685-I688 PolarHBondContact O-N 3.12Å; L686-I688 VanDerWaalsContact C-N 3.3Å; L686-I688 PolarHBondContact O-N 3.04Å; I688-K692 HydrophobicContact CG1-CD 4.23Å; I688-K692 WeakPolarHBondContact O-CA 3.33Å; I688-K692 VanDerWaalsContact O-CB 3.32Å; I688-K692 WeakPolarHBondContact O-CB 3.38Å; I688-K692 PolarHBondContact O-N 2.86Å; I688-L693 HydrophobicContact CG2-CD1 4.47Å; I688-L693 PolarHBondContact O-N 3.27Å
689	L	81.6	Confident	81.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	25%	0.253	C	S	.	.	I	π-helix	trans	-66.1	-43	-178.9	-66	170.2	0	0	0	112.3	L670 A673 A685 L686 L693 R694 D695 A699 F702	L670-L689 HydrophobicContact CD1-CD2 3.64Å; A673-L689 HydrophobicContact CB-CD1 4.21Å; A673-L689 HydrophobicContact CB-CD2 3.75Å; A673-L689 HydrophobicContact CB-CG 3.73Å; A685-L689 WeakPolarHBondContact O-CG 3.48Å; A685-L689 PolarHBondContact O-N 3.39Å; A685-L689 VanDerWaalsContact O-N 3.09Å; L686-L689 PolarHBondContact O-N 3.43Å; L689-L693 HydrophobicContact CD2-CD1 4.05Å; L689-L693 WeakPolarHBondContact O-CB 3.49Å; L689-R694 PolarHBondContact O-N 3.44Å; L689-D695 PolarHBondContact O-N 2.95Å; L689-D695 VanDerWaalsContact O-N 3.09Å; L689-A699 HydrophobicContact CB-CB 4.08Å; L689-A699 HydrophobicContact CD1-CB 4.45Å; L689-F702 HydrophobicContact CD1-CB 3.71Å; L689-F702 HydrophobicContact CD1-CD1 4.42Å; L689-F702 HydrophobicContact CD1-CD2 4.29Å; L689-F702 HydrophobicContact CD1-CG 3.9Å
690	V	80.8	Confident	81.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-84.9	-50.2	-173.5	178.9	0	0	0	0	112.3	L686 R694 F696 A699 L722 V725 Y726	L686-V690 VanDerWaalsContact O-CB 3.31Å; L686-V690 WeakPolarHBondContact O-CB 3.44Å; L686-V690 VanDerWaalsContact O-CG2 3.24Å; L686-V690 WeakPolarHBondContact O-CG2 3.46Å; L686-V690 PolarHBondContact O-N 3.35Å; V690-R694 WeakPolarHBondContact O-CA 3.28Å; V690-R694 PolarHBondContact O-N 3.09Å; V690-F696 HydrophobicContact CG1-CE1 4.24Å; V690-A699 HydrophobicContact CG2-CB 3.95Å; V690-L722 HydrophobicContact CG2-CD1 4.1Å; V690-V725 HydrophobicContact CB-CG1 4.05Å; V690-V725 HydrophobicContact CG1-CG1 4.11Å; V690-V725 HydrophobicContact CG2-CG1 4.14Å; V690-Y726 HydrophobicContact CB-CE1 4.28Å; V690-Y726 HydrophobicContact CG1-CD1 3.74Å; V690-Y726 HydrophobicContact CG1-CE1 3.74Å; V690-Y726 HydrophobicContact CG2-CD1 4.14Å; V690-Y726 HydrophobicContact CG2-CE1 3.51Å
691	H	78.4	Confident	81.4	Confident	47 Å²	47	47.6 Å²	47.6	22%	0.218	24%	0.239	C	C	.	.	I	π-helix	trans	-90.1	-34.6	-174.5	-65.2	-74.7	0	0	0	113.8	H687	H687-H691 AromaticContact CD2-CD2 3.35Å; H687-H691 PolarHBondContact CD2-CD2 2.86Å; H687-H691 AromaticContact CE1-CD2 3.99Å; H687-H691 AromaticContact CG-CD2 3.69Å; H687-H691 AromaticContact NE2-CD2 3.59Å; H687-H691 AromaticContact NE2-CG 3.97Å; H687-H691 WeakPolarHBondContact O-CB 3.2Å; H687-H691 PolarHBondContact O-N 3.29Å
692	K	78.3	Confident	81.3	Confident	116 Å²	116	45.5 Å²	45.5	50%	0.504	23%	0.229	S	C	.	.	I	π-helix	trans	-91	-43.6	-178.2	-58.6	-172.3	179.4	-177.6	0	113.1	L669 H687 I688	L669-K692 HydrophobicContact CD1-CB 4.43Å; H687-K692 PolarHBondContact O-N 2.87Å; I688-K692 HydrophobicContact CG1-CD 4.23Å; I688-K692 WeakPolarHBondContact O-CA 3.33Å; I688-K692 VanDerWaalsContact O-CB 3.32Å; I688-K692 WeakPolarHBondContact O-CB 3.38Å; I688-K692 PolarHBondContact O-N 2.86Å
693	L	77.1	Confident	81.3	Confident	65 Å²	65	44.6 Å²	44.6	34%	0.34	23%	0.225	S	C	.	.	S	Bend	trans	-93.1	-22.5	-178.8	-76.3	170.6	0	0	0	113.8	L669 L670 I688 L689 D695	L669-L693 HydrophobicContact CB-CD1 3.8Å; L669-L693 HydrophobicContact CB-CD2 3.86Å; L669-L693 HydrophobicContact CB-CG 3.84Å; L669-L693 HydrophobicContact CD1-CD2 3.92Å; L669-L693 HydrophobicContact CD1-CG 4.2Å; L670-L693 HydrophobicContact CB-CD1 4.27Å; L670-L693 HydrophobicContact CD1-CD1 4.39Å; I688-L693 HydrophobicContact CG2-CD1 4.47Å; I688-L693 PolarHBondContact O-N 3.27Å; L689-L693 HydrophobicContact CD2-CD1 4.05Å; L689-L693 WeakPolarHBondContact O-CB 3.49Å; L693-D695 HydrophobicContact CB-CB 4.35Å; L693-D695 PolarHBondContact O-N 2.98Å
694	R	76.5	Confident	81.6	Confident	137 Å²	137	43.3 Å²	43.3	52%	0.517	22%	0.217	S	C	.	.			trans	51.4	32.7	-173.4	-59.5	-171.7	179.9	-171.4	2.6	113.5	L689 V690	L689-R694 PolarHBondContact O-N 3.44Å; V690-R694 WeakPolarHBondContact O-CA 3.28Å; V690-R694 PolarHBondContact O-N 3.09Å
695	D	81.1	Confident	81.7	Confident	57 Å²	57	42 Å²	42	31%	0.305	21%	0.21	S	C	.	.			trans	-103.9	86.2	-179.3	-174.3	-9.6	0	0	0	109.9	L689 L693 P697 S698 A699	L689-D695 PolarHBondContact O-N 2.95Å; L689-D695 VanDerWaalsContact O-N 3.09Å; L693-D695 HydrophobicContact CB-CB 4.35Å; L693-D695 PolarHBondContact O-N 2.98Å; D695-P697 VanDerWaalsContact OD1-CD 3.27Å; D695-P697 WeakPolarHBondContact OD1-CD 3.47Å; D695-S698 PolarHBondContact O-N 2.97Å; D695-S698 WeakPolarHBondContact OD1-CB 3.42Å; D695-S698 PolarHBondContact OD1-N 3.17Å; D695-S698 PolarHBondContact OD1-OG 3.29Å; D695-S698 WeakPolarHBondContact OD2-CB 3.29Å; D695-S698 PolarHBondContact OD2-OG 3.12Å; D695-A699 PolarHBondContact O-N 3.08Å; D695-A699 VanDerWaalsContact O-N 3.13Å
696	F	82.2	Confident	81.6	Confident	34 Å²	34	42.8 Å²	42.8	15%	0.149	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-42.7	-179.9	-48.7	-71.1	0	0	0	113.2	V690 S698 A699 E700 Y726 E742 M743 A746	V690-F696 HydrophobicContact CG1-CE1 4.24Å; F696-S698 VanDerWaalsContact C-N 3.33Å; F696-S698 PolarHBondContact O-N 3.02Å; F696-A699 WeakPolarHBondContact O-CB 3.38Å; F696-A699 PolarHBondContact O-N 3.2Å; F696-A699 VanDerWaalsContact O-N 3.17Å; F696-E700 PolarHBondContact O-N 2.82Å; F696-Y726 HydrophobicContact CD1-CD1 4.43Å; F696-Y726 AromaticContact CD1-CE1 3.59Å; F696-Y726 HydrophobicContact CD1-CE1 3.59Å; F696-Y726 AromaticContact CD1-CZ 3.86Å; F696-Y726 HydrophobicContact CE1-CE1 4.1Å; F696-E742 HydrophobicContact CE2-CB 4.4Å; F696-E742 HydrophobicContact CZ-CB 4.37Å; F696-M743 HydrophobicContact CE1-CG 4.16Å; F696-M743 HydrophobicContact CZ-CG 4.24Å; F696-A746 HydrophobicContact CB-CB 4.27Å; F696-A746 HydrophobicContact CD1-CB 3.77Å; F696-A746 HydrophobicContact CD2-CB 4.28Å; F696-A746 HydrophobicContact CE1-CB 4.12Å; F696-A746 HydrophobicContact CG-CB 3.85Å
697	P	82.8	Confident	81.5	Confident	88 Å²	88	43.1 Å²	43.1	57%	0.571	22%	0.218	S	C	*	.	H	α-helix	trans	-56.9	-42.7	172.7	-26.4	35.1	0	0	0	113.5	D695 A699 E700 A701	D695-P697 VanDerWaalsContact OD1-CD 3.27Å; D695-P697 WeakPolarHBondContact OD1-CD 3.47Å; P697-A699 VanDerWaalsContact C-N 3.33Å; P697-A699 PolarHBondContact O-N 2.94Å; P697-E700 PolarHBondContact O-N 3.34Å; P697-A701 WeakPolarHBondContact O-CB 3.49Å; P697-A701 PolarHBondContact O-N 3.33Å
698	S	81.7	Confident	81.3	Confident	28 Å²	28	43.4 Å²	43.4	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-31.5	176.9	-72.8	0	0	0	0	113	D695 F696 A701 F702	D695-S698 PolarHBondContact O-N 2.97Å; D695-S698 WeakPolarHBondContact OD1-CB 3.42Å; D695-S698 PolarHBondContact OD1-N 3.17Å; D695-S698 PolarHBondContact OD1-OG 3.29Å; D695-S698 WeakPolarHBondContact OD2-CB 3.29Å; D695-S698 PolarHBondContact OD2-OG 3.12Å; F696-S698 VanDerWaalsContact C-N 3.33Å; F696-S698 PolarHBondContact O-N 3.02Å; S698-A701 PolarHBondContact O-N 2.96Å; S698-F702 WeakPolarHBondContact O-CB 3.48Å; S698-F702 PolarHBondContact O-N 3.32Å
699	A	83.3	Confident	80.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-40	174.2	0	0	0	0	0	112.6	L686 L689 V690 D695 F696 P697 F702 C703 L722	L686-A699 HydrophobicContact CD2-CB 4.46Å; L689-A699 HydrophobicContact CB-CB 4.08Å; L689-A699 HydrophobicContact CD1-CB 4.45Å; V690-A699 HydrophobicContact CG2-CB 3.95Å; D695-A699 PolarHBondContact O-N 3.08Å; D695-A699 VanDerWaalsContact O-N 3.13Å; F696-A699 WeakPolarHBondContact O-CB 3.38Å; F696-A699 PolarHBondContact O-N 3.2Å; F696-A699 VanDerWaalsContact O-N 3.17Å; P697-A699 VanDerWaalsContact C-N 3.33Å; P697-A699 PolarHBondContact O-N 2.94Å; A699-F702 PolarHBondContact O-N 3.37Å; A699-C703 PolarHBondContact O-N 3.09Å; A699-C703 VanDerWaalsContact O-N 3.16Å; A699-C703 PolarHBondContact O-SG 3.36Å; A699-C703 VanDerWaalsContact O-SG 3.32Å; A699-L722 HydrophobicContact CB-CD1 3.93Å
700	E	84.8	Confident	80.5	Confident	22 Å²	22	53.6 Å²	53.6	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-48	171.5	-70.8	-178.3	-171.2	0	0	111.2	F696 P697 F702 C703 I704 L722 L750 H754	F696-E700 PolarHBondContact O-N 2.82Å; P697-E700 PolarHBondContact O-N 3.34Å; E700-F702 VanDerWaalsContact C-N 3.28Å; E700-F702 PolarHBondContact O-N 3.5Å; E700-C703 PolarHBondContact O-N 3.35Å; E700-C703 VanDerWaalsContact O-N 3.11Å; E700-I704 WeakPolarHBondContact O-CG1 3.25Å; E700-I704 PolarHBondContact O-N 3.44Å; E700-L722 HydrophobicContact CG-CD2 4.31Å; E700-L750 HydrophobicContact CG-CD1 3.72Å; E700-H754 IonicContact OE2-NE2 2.57Å
701	A	83.7	Confident	80.3	Confident	52 Å²	52	59.5 Å²	59.5	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-38.7	177.8	0	0	0	0	0	112.1	P697 S698 I704 W705	P697-A701 WeakPolarHBondContact O-CB 3.49Å; P697-A701 PolarHBondContact O-N 3.33Å; S698-A701 PolarHBondContact O-N 2.96Å; A701-I704 PolarHBondContact O-N 3.06Å; A701-W705 WeakPolarHBondContact O-CB 3.33Å; A701-W705 PolarHBondContact O-N 2.82Å
702	F	84.1	Confident	80.3	Confident	12 Å²	12	62.5 Å²	62.5	5%	0.053	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-44.4	173.7	174.7	-93.7	0	0	0	112.2	G677 H682 A685 L686 L689 S698 A699 E700 I704 W705 A706	G677-F702 VanDerWaalsContact CA-CZ 3.49Å; H682-F702 AromaticContact ND1-CE1 3.97Å; H682-F702 AromaticContact ND1-CZ 3.82Å; A685-F702 HydrophobicContact CB-CE1 4.08Å; A685-F702 HydrophobicContact CB-CE2 4.05Å; A685-F702 HydrophobicContact CB-CZ 3.54Å; L686-F702 HydrophobicContact CD2-CD1 3.62Å; L686-F702 HydrophobicContact CD2-CE1 4.05Å; L686-F702 HydrophobicContact CG-CD1 4.31Å; L686-F702 HydrophobicContact CG-CE1 4.24Å; L689-F702 HydrophobicContact CD1-CB 3.71Å; L689-F702 HydrophobicContact CD1-CD1 4.42Å; L689-F702 HydrophobicContact CD1-CD2 4.29Å; L689-F702 HydrophobicContact CD1-CG 3.9Å; S698-F702 WeakPolarHBondContact O-CB 3.48Å; S698-F702 PolarHBondContact O-N 3.32Å; A699-F702 PolarHBondContact O-N 3.37Å; E700-F702 VanDerWaalsContact C-N 3.28Å; E700-F702 PolarHBondContact O-N 3.5Å; F702-I704 VanDerWaalsContact C-N 3.32Å; F702-I704 PolarHBondContact O-N 2.91Å; F702-W705 AromaticContact CD2-CE3 3.92Å; F702-W705 HydrophobicContact CD2-CE3 3.92Å; F702-W705 HydrophobicContact CD2-CZ3 4.01Å; F702-W705 HydrophobicContact CE2-CE3 4.06Å; F702-W705 AromaticContact CE2-CZ3 3.71Å; F702-W705 HydrophobicContact CE2-CZ3 3.71Å; F702-W705 PolarHBondContact O-N 3.44Å; F702-A706 HydrophobicContact CE1-CB 4.49Å; F702-A706 VanDerWaalsContact O-CB 3.29Å; F702-A706 WeakPolarHBondContact O-CB 3.35Å; F702-A706 PolarHBondContact O-N 2.7Å
703	C	83	Confident	80.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-37.6	178	-67.9	0	0	0	0	112	A699 E700 S707 F719	A699-C703 PolarHBondContact O-N 3.09Å; A699-C703 VanDerWaalsContact O-N 3.16Å; A699-C703 PolarHBondContact O-SG 3.36Å; A699-C703 VanDerWaalsContact O-SG 3.32Å; E700-C703 PolarHBondContact O-N 3.35Å; E700-C703 VanDerWaalsContact O-N 3.11Å; C703-S707 VanDerWaalsContact O-CB 3.32Å; C703-S707 WeakPolarHBondContact O-CB 3.48Å; C703-S707 PolarHBondContact O-N 3.06Å; C703-S707 PolarHBondContact O-OG 3.12Å; C703-F719 HydrophobicContact CB-CD2 4.03Å; C703-F719 HydrophobicContact CB-CE2 3.67Å; C703-F719 HydrophobicContact CB-CZ 4.01Å
704	I	83.8	Confident	80.7	Confident	60 Å²	60	57.7 Å²	57.7	31%	0.308	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-47.3	174.7	-63.6	169.1	0	0	0	110.1	E700 A701 F702 S707 S708 F719	E700-I704 WeakPolarHBondContact O-CG1 3.25Å; E700-I704 PolarHBondContact O-N 3.44Å; A701-I704 PolarHBondContact O-N 3.06Å; F702-I704 VanDerWaalsContact C-N 3.32Å; F702-I704 PolarHBondContact O-N 2.91Å; I704-S707 PolarHBondContact O-N 2.96Å; I704-S707 PolarHBondContact O-OG 3.36Å; I704-S708 PolarHBondContact O-N 3.13Å; I704-S708 VanDerWaalsContact O-N 3.12Å; I704-S708 PolarHBondContact O-OG 3.01Å; I704-F719 HydrophobicContact CG1-CE2 4.4Å; I704-F719 HydrophobicContact CG1-CZ 3.95Å
705	W	83.3	Confident	81	Confident	68 Å²	68	54.8 Å²	54.8	26%	0.258	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	-51.5	179.3	168.2	78.6	0	0	0	112.3	R648 T674 K678 A701 F702 S707 S708	R648-W705 HydrophobicContact CB-CZ2 4.35Å; R648-W705 HydrophobicContact CG-CZ2 4.38Å; T674-W705 HydrophobicContact CG2-CH2 4.07Å; T674-W705 HydrophobicContact CG2-CZ2 4.36Å; K678-W705 HydrophobicContact CD-CH2 3.81Å; K678-W705 HydrophobicContact CD-CZ2 4.08Å; K678-W705 VanDerWaalsContact CE-CZ2 3.43Å; K678-W705 HydrophobicContact CG-CH2 4.11Å; A701-W705 WeakPolarHBondContact O-CB 3.33Å; A701-W705 PolarHBondContact O-N 2.82Å; F702-W705 AromaticContact CD2-CE3 3.92Å; F702-W705 HydrophobicContact CD2-CE3 3.92Å; F702-W705 HydrophobicContact CD2-CZ3 4.01Å; F702-W705 HydrophobicContact CE2-CE3 4.06Å; F702-W705 AromaticContact CE2-CZ3 3.71Å; F702-W705 HydrophobicContact CE2-CZ3 3.71Å; F702-W705 PolarHBondContact O-N 3.44Å; W705-S707 PolarHBondContact O-N 3.26Å; W705-S707 VanDerWaalsContact O-N 3.11Å; W705-S708 WeakPolarHBondContact O-CB 3.2Å; W705-S708 PolarHBondContact O-N 3.3Å; W705-S708 VanDerWaalsContact O-N 3.12Å; W705-S708 PolarHBondContact O-OG 2.93Å
706	A	80.6	Confident	81.1	Confident	16 Å²	16	55.1 Å²	55.1	13%	0.132	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-19	-179	0	0	0	0	0	113.4	F702 L718	F702-A706 HydrophobicContact CE1-CB 4.49Å; F702-A706 VanDerWaalsContact O-CB 3.29Å; F702-A706 WeakPolarHBondContact O-CB 3.35Å; F702-A706 PolarHBondContact O-N 2.7Å; A706-L718 HydrophobicContact CB-CD1 3.78Å
707	S	81	Confident	81.2	Confident	6 Å²	6	59.9 Å²	59.9	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-101.9	-3.2	177.3	62.2	0	0	0	0	115	C703 I704 W705 S709 R710 R715	C703-S707 VanDerWaalsContact O-CB 3.32Å; C703-S707 WeakPolarHBondContact O-CB 3.48Å; C703-S707 PolarHBondContact O-N 3.06Å; C703-S707 PolarHBondContact O-OG 3.12Å; I704-S707 PolarHBondContact O-N 2.96Å; I704-S707 PolarHBondContact O-OG 3.36Å; W705-S707 PolarHBondContact O-N 3.26Å; W705-S707 VanDerWaalsContact O-N 3.11Å; S707-S709 VanDerWaalsContact C-N 3.26Å; S707-S709 PolarHBondContact O-N 3.03Å; S707-S709 VanDerWaalsContact O-N 3.14Å; S707-R710 PolarHBondContact O-N 3.1Å; S707-R715 WeakPolarHBondContact OG-CG 3.48Å
708	S	77.3	Confident	81.2	Confident	93 Å²	93	56 Å²	56	65%	0.65	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.3	-170	-69.8	0	0	0	0	115.1	I704 W705	I704-S708 PolarHBondContact O-N 3.13Å; I704-S708 VanDerWaalsContact O-N 3.12Å; I704-S708 PolarHBondContact O-OG 3.01Å; W705-S708 WeakPolarHBondContact O-CB 3.2Å; W705-S708 PolarHBondContact O-N 3.3Å; W705-S708 VanDerWaalsContact O-N 3.12Å; W705-S708 PolarHBondContact O-OG 2.93Å
709	S	68.6	Low	81.3	Confident	114 Å²	114	54.7 Å²	54.7	80%	0.797	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	9.4	-179.8	57.4	0	0	0	0	114	S707	S707-S709 VanDerWaalsContact C-N 3.26Å; S707-S709 PolarHBondContact O-N 3.03Å; S707-S709 VanDerWaalsContact O-N 3.14Å
710	R	77.9	Confident	81.3	Confident	111 Å²	111	55 Å²	55	42%	0.419	30%	0.297	S	S	.	.	S	Bend	trans	-121.6	166.3	-172.7	-65.5	-172.9	175.2	-164.7	-2.8	111.2	E680 S707 Y714	E680-R710 IonicContact OE1-CZ 3.36Å; E680-R710 IonicContact OE1-NH1 2.69Å; E680-R710 PolarHBondContact OE1-NH1 3.26Å; E680-R710 IonicContact OE1-NH2 3.74Å; E680-R710 PolarHBondContact OE1-NH2 3.47Å; S707-R710 PolarHBondContact O-N 3.1Å; R710-Y714 HydrophobicContact CB-CD1 3.85Å; R710-Y714 HydrophobicContact CB-CG 3.83Å; R710-Y714 VanDerWaalsContact CD-CE1 3.5Å; R710-Y714 HydrophobicContact CG-CD1 4.27Å; R710-Y714 HydrophobicContact CG-CG 4.39Å; R710-Y714 PolarHBondContact NH1-OH 2.81Å
711	D	77.8	Confident	81.3	Confident	123 Å²	123	57.2 Å²	57.2	66%	0.658	31%	0.309	S	S	*	.			trans	-58.7	151.6	-177.2	-65.1	-35.3	0	0	0	112.8	A713 Y714 R715	D711-A713 PolarHBondContact O-N 3.14Å; D711-Y714 WeakPolarHBondContact O-CA 3.35Å; D711-Y714 VanDerWaalsContact O-CB 3.22Å; D711-Y714 WeakPolarHBondContact O-CB 3.25Å; D711-Y714 PolarHBondContact O-N 2.82Å; D711-R715 PolarHBondContact O-N 3.06Å
712	P	78.4	Confident	81.3	Confident	110 Å²	110	54.7 Å²	54.7	71%	0.714	29%	0.289	S	S	*	.	H	α-helix	trans	-52.8	-31.1	173.3	-27.3	34.9	0	0	0	113.7	Y714 R715 Q716	P712-Y714 VanDerWaalsContact C-N 3.33Å; P712-Y714 PolarHBondContact O-N 3.43Å; P712-R715 WeakPolarHBondContact O-CB 3.49Å; P712-R715 PolarHBondContact O-N 3.24Å; P712-Q716 WeakPolarHBondContact O-CB 3.38Å; P712-Q716 PolarHBondContact O-N 3.11Å
713	A	80.8	Confident	81.2	Confident	47 Å²	47	54.1 Å²	54.1	39%	0.388	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-30.7	174.4	0	0	0	0	0	113.2	D711 R717	D711-A713 PolarHBondContact O-N 3.14Å; A713-R717 WeakPolarHBondContact O-CG 3.43Å; A713-R717 PolarHBondContact O-N 3.41Å; A713-R717 VanDerWaalsContact O-N 3.15Å; A713-R717 PolarHBondContact O-NH1 3.07Å
714	Y	82.3	Confident	81.2	Confident	33 Å²	33	55.1 Å²	55.1	13%	0.129	30%	0.297	C	S	.	.	H	α-helix	trans	-70	-46.1	173.9	-170.3	-89.6	0	0	0	110.8	H682 R710 D711 P712 Q716 R717 L718	H682-Y714 PolarHBondContact NE2-OH 3.11Å; R710-Y714 HydrophobicContact CB-CD1 3.85Å; R710-Y714 HydrophobicContact CB-CG 3.83Å; R710-Y714 VanDerWaalsContact CD-CE1 3.5Å; R710-Y714 HydrophobicContact CG-CD1 4.27Å; R710-Y714 HydrophobicContact CG-CG 4.39Å; R710-Y714 PolarHBondContact NH1-OH 2.81Å; D711-Y714 WeakPolarHBondContact O-CA 3.35Å; D711-Y714 VanDerWaalsContact O-CB 3.22Å; D711-Y714 WeakPolarHBondContact O-CB 3.25Å; D711-Y714 PolarHBondContact O-N 2.82Å; P712-Y714 VanDerWaalsContact C-N 3.33Å; P712-Y714 PolarHBondContact O-N 3.43Å; Y714-Q716 VanDerWaalsContact C-N 3.28Å; Y714-Q716 PolarHBondContact O-N 2.66Å; Y714-R717 VanDerWaalsContact CD2-NH2 3.28Å; Y714-R717 PolarHBondContact O-N 3.15Å; Y714-R717 VanDerWaalsContact O-N 3.14Å; Y714-L718 HydrophobicContact CD1-CD1 3.93Å; Y714-L718 HydrophobicContact CD1-CG 4.28Å; Y714-L718 HydrophobicContact CE1-CD1 3.47Å; Y714-L718 VanDerWaalsContact CE1-CD1 3.47Å; Y714-L718 HydrophobicContact CE1-CD2 4.47Å; Y714-L718 HydrophobicContact CE1-CG 3.9Å; Y714-L718 PolarHBondContact O-N 3.27Å; Y714-L718 VanDerWaalsContact O-N 3.11Å
715	R	83.3	Confident	81.1	Confident	77 Å²	77	53.2 Å²	53.2	29%	0.291	29%	0.287	S	S	.	.	H	α-helix	trans	-56.3	-46.4	173.5	-172.2	169.3	177.2	164.3	-0.4	111	S707 D711 P712 R717 L718 F719 V757	S707-R715 WeakPolarHBondContact OG-CG 3.48Å; D711-R715 PolarHBondContact O-N 3.06Å; P712-R715 WeakPolarHBondContact O-CB 3.49Å; P712-R715 PolarHBondContact O-N 3.24Å; R715-R717 VanDerWaalsContact C-N 3.34Å; R715-R717 PolarHBondContact O-N 3.12Å; R715-L718 PolarHBondContact O-N 3.27Å; R715-F719 HydrophobicContact CG-CD2 3.79Å; R715-F719 HydrophobicContact CG-CE2 3.8Å; R715-F719 WeakPolarHBondContact O-CD2 3.49Å; R715-F719 PolarHBondContact O-N 3.35Å; R715-V757 HydrophobicContact CG-CG1 3.85Å
716	Q	83.5	Confident	81	Confident	63 Å²	63	50.2 Å²	50.2	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-54.4	-49.3	175.3	-176.1	173.8	59.8	0	0	111.4	P712 Y714 L718 F719 H720 V757 D759	P712-Q716 WeakPolarHBondContact O-CB 3.38Å; P712-Q716 PolarHBondContact O-N 3.11Å; Y714-Q716 VanDerWaalsContact C-N 3.28Å; Y714-Q716 PolarHBondContact O-N 2.66Å; Q716-L718 PolarHBondContact O-N 3.08Å; Q716-F719 PolarHBondContact O-N 3.37Å; Q716-H720 WeakPolarHBondContact CG-CE1 3.22Å; Q716-H720 PolarHBondContact O-N 2.74Å; Q716-H720 PolarHBondContact O-ND1 3.12Å; Q716-V757 VanDerWaalsContact CG-O 3.29Å; Q716-V757 WeakPolarHBondContact CG-O 3.42Å; Q716-V757 PolarHBondContact NE2-O 2.92Å; Q716-D759 VanDerWaalsContact NE2-N 3.2Å
717	R	84	Confident	80.8	Confident	134 Å²	134	51.4 Å²	51.4	51%	0.506	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-42.8	178.5	-71.8	-170.2	-58.9	-89.4	14.1	113.6	A713 Y714 R715 H720 L721	A713-R717 WeakPolarHBondContact O-CG 3.43Å; A713-R717 PolarHBondContact O-N 3.41Å; A713-R717 VanDerWaalsContact O-N 3.15Å; A713-R717 PolarHBondContact O-NH1 3.07Å; Y714-R717 VanDerWaalsContact CD2-NH2 3.28Å; Y714-R717 PolarHBondContact O-N 3.15Å; Y714-R717 VanDerWaalsContact O-N 3.14Å; R715-R717 VanDerWaalsContact C-N 3.34Å; R715-R717 PolarHBondContact O-N 3.12Å; R717-H720 PolarHBondContact O-N 2.95Å; R717-L721 PolarHBondContact O-N 3.36Å
718	L	83.3	Confident	80.3	Confident	7 Å²	7	57 Å²	57	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-65.1	-42.2	178.4	-73.8	-179.9	0	0	0	112.6	H682 A706 Y714 R715 Q716 H720 L721 L722	H682-L718 HydrophobicContact CB-CD2 3.95Å; A706-L718 HydrophobicContact CB-CD1 3.78Å; Y714-L718 HydrophobicContact CD1-CD1 3.93Å; Y714-L718 HydrophobicContact CD1-CG 4.28Å; Y714-L718 HydrophobicContact CE1-CD1 3.47Å; Y714-L718 VanDerWaalsContact CE1-CD1 3.47Å; Y714-L718 HydrophobicContact CE1-CD2 4.47Å; Y714-L718 HydrophobicContact CE1-CG 3.9Å; Y714-L718 PolarHBondContact O-N 3.27Å; Y714-L718 VanDerWaalsContact O-N 3.11Å; R715-L718 PolarHBondContact O-N 3.27Å; Q716-L718 PolarHBondContact O-N 3.08Å; L718-H720 VanDerWaalsContact C-N 3.3Å; L718-H720 PolarHBondContact O-N 2.87Å; L718-L721 WeakPolarHBondContact O-CB 3.42Å; L718-L721 PolarHBondContact O-N 2.82Å; L718-L721 VanDerWaalsContact O-N 3.16Å; L718-L722 PolarHBondContact O-N 3.3Å
719	F	83.6	Confident	79.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-32.9	176.1	-87	-97	0	0	0	112.1	C703 I704 R715 Q716 L723 L750 H754 V757 F758	C703-F719 HydrophobicContact CB-CD2 4.03Å; C703-F719 HydrophobicContact CB-CE2 3.67Å; C703-F719 HydrophobicContact CB-CZ 4.01Å; I704-F719 HydrophobicContact CG1-CE2 4.4Å; I704-F719 HydrophobicContact CG1-CZ 3.95Å; R715-F719 HydrophobicContact CG-CD2 3.79Å; R715-F719 HydrophobicContact CG-CE2 3.8Å; R715-F719 WeakPolarHBondContact O-CD2 3.49Å; R715-F719 PolarHBondContact O-N 3.35Å; Q716-F719 PolarHBondContact O-N 3.37Å; F719-L723 WeakPolarHBondContact O-CB 3.32Å; F719-L723 PolarHBondContact O-N 3.39Å; F719-L750 HydrophobicContact CD1-CD1 3.95Å; F719-L750 HydrophobicContact CD1-CG 4.5Å; F719-L750 HydrophobicContact CE1-CD1 3.89Å; F719-H754 HydrophobicContact CD1-CB 4.25Å; F719-H754 HydrophobicContact CE1-CB 3.92Å; F719-H754 AromaticContact CE1-CD2 3.7Å; F719-H754 AromaticContact CE1-CG 3.75Å; F719-V757 HydrophobicContact CB-CG1 4.32Å; F719-V757 HydrophobicContact CD2-CG1 4.08Å; F719-V757 HydrophobicContact CG-CG1 4.16Å; F719-F758 HydrophobicContact CB-CE1 3.93Å; F719-F758 HydrophobicContact CB-CZ 3.88Å; F719-F758 HydrophobicContact CD1-CE2 4.3Å; F719-F758 HydrophobicContact CD1-CZ 4.09Å; F719-F758 HydrophobicContact CG-CZ 4.5Å; F719-F758 WeakPolarHBondContact O-CE1 3.38Å
720	H	83.4	Confident	78.3	Confident	7 Å²	7	54.6 Å²	54.6	3%	0.032	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-36.4	170.7	-73.6	72.4	0	0	0	112.2	Q716 R717 L718 G724 F758 D759 R762 M766	Q716-H720 WeakPolarHBondContact CG-CE1 3.22Å; Q716-H720 PolarHBondContact O-N 2.74Å; Q716-H720 PolarHBondContact O-ND1 3.12Å; R717-H720 PolarHBondContact O-N 2.95Å; L718-H720 VanDerWaalsContact C-N 3.3Å; L718-H720 PolarHBondContact O-N 2.87Å; H720-G724 PolarHBondContact O-N 3.01Å; H720-F758 AromaticContact CE1-CD1 3.8Å; H720-F758 AromaticContact ND1-CD1 3.93Å; H720-D759 PolarHBondContact CE1-N 2.68Å; H720-R762 VanDerWaalsContact CD2-CD 3.43Å; H720-R762 WeakPolarHBondContact CD2-CD 3.24Å; H720-M766 HydrophobicContact CB-CE 4.34Å; H720-M766 WeakPolarHBondContact CD2-CE 3.29Å
721	L	83.7	Confident	76.6	Confident	68 Å²	68	53.8 Å²	53.8	36%	0.356	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-43.5	174.4	-175.2	68.3	0	0	0	111.1	H682 L686 R717 L718 G724 V725	H682-L721 HydrophobicContact CB-CD2 3.94Å; L686-L721 HydrophobicContact CD1-CB 4.49Å; L686-L721 HydrophobicContact CD1-CD2 4.02Å; L686-L721 HydrophobicContact CD1-CG 4.11Å; R717-L721 PolarHBondContact O-N 3.36Å; L718-L721 WeakPolarHBondContact O-CB 3.42Å; L718-L721 PolarHBondContact O-N 2.82Å; L718-L721 VanDerWaalsContact O-N 3.16Å; L721-G724 CarbonylContact O-C 3.5Å; L721-G724 WeakPolarHBondContact O-CA 3.33Å; L721-G724 PolarHBondContact O-N 2.97Å; L721-V725 WeakPolarHBondContact O-CG2 3.36Å; L721-V725 PolarHBondContact O-N 3.29Å
722	L	84.2	Confident	74.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-45.4	174.7	179.4	63	0	0	0	111.7	L686 V690 A699 E700 L718 G724 V725 Y726 L750	L686-L722 HydrophobicContact CD1-CB 4.2Å; L686-L722 HydrophobicContact CD1-CD1 4.44Å; L686-L722 HydrophobicContact CD2-CD1 3.97Å; V690-L722 HydrophobicContact CG2-CD1 4.1Å; A699-L722 HydrophobicContact CB-CD1 3.93Å; E700-L722 HydrophobicContact CG-CD2 4.31Å; L718-L722 PolarHBondContact O-N 3.3Å; L722-G724 VanDerWaalsContact C-N 3.29Å; L722-G724 PolarHBondContact O-N 3.34Å; L722-V725 PolarHBondContact O-N 3.12Å; L722-Y726 HydrophobicContact CD1-CD1 4.34Å; L722-Y726 HydrophobicContact CD1-CE1 3.76Å; L722-Y726 HydrophobicContact CD1-CE2 4.04Å; L722-Y726 HydrophobicContact CD2-CE2 4.13Å; L722-Y726 HydrophobicContact CG-CD2 4.27Å; L722-Y726 HydrophobicContact CG-CE1 4.42Å; L722-Y726 HydrophobicContact CG-CE2 3.82Å; L722-Y726 PolarHBondContact O-N 3.06Å; L722-L750 HydrophobicContact CB-CD2 4.49Å; L722-L750 HydrophobicContact CD2-CD1 3.9Å; L722-L750 HydrophobicContact CD2-CD2 3.87Å; L722-L750 HydrophobicContact CG-CD2 4Å
723	L	82.6	Confident	73	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-40.2	174.7	-178.9	66.4	0	0	0	111	F719 Y726 L727 A747 L750 L751 F758 V763 M766	F719-L723 WeakPolarHBondContact O-CB 3.32Å; F719-L723 PolarHBondContact O-N 3.39Å; L723-Y726 PolarHBondContact O-N 3.22Å; L723-L727 HydrophobicContact CD1-CD1 3.98Å; L723-L727 HydrophobicContact CD1-CG 4.24Å; L723-L727 HydrophobicContact CG-CD1 3.84Å; L723-L727 HydrophobicContact CG-CG 4.43Å; L723-L727 WeakPolarHBondContact O-CB 3.23Å; L723-L727 WeakPolarHBondContact O-CG 3.44Å; L723-L727 PolarHBondContact O-N 2.96Å; L723-A747 HydrophobicContact CD1-CB 4Å; L723-L750 HydrophobicContact CB-CD2 4.27Å; L723-L751 HydrophobicContact CD1-CD1 4.22Å; L723-L751 HydrophobicContact CD1-CD2 4.39Å; L723-L751 HydrophobicContact CD1-CG 4.15Å; L723-L751 HydrophobicContact CD2-CD2 3.86Å; L723-L751 HydrophobicContact CD2-CG 4.48Å; L723-F758 HydrophobicContact CB-CE1 4.1Å; L723-F758 HydrophobicContact CB-CZ 4.47Å; L723-F758 HydrophobicContact CD2-CD1 4.37Å; L723-F758 HydrophobicContact CD2-CE1 3.87Å; L723-V763 HydrophobicContact CD2-CG1 4.34Å; L723-V763 HydrophobicContact CD2-CG2 4.07Å; L723-M766 HydrophobicContact CD2-CE 3.7Å
724	G	81.2	Confident	70.9	Confident	21 Å²	21	60.2 Å²	60.2	22%	0.216	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-47.5	171.5	0	0	0	0	0	112.3	H720 L721 L722 Y726 L727 D728	H720-G724 PolarHBondContact O-N 3.01Å; L721-G724 CarbonylContact O-C 3.5Å; L721-G724 WeakPolarHBondContact O-CA 3.33Å; L721-G724 PolarHBondContact O-N 2.97Å; L722-G724 VanDerWaalsContact C-N 3.29Å; L722-G724 PolarHBondContact O-N 3.34Å; G724-Y726 VanDerWaalsContact C-N 3.32Å; G724-Y726 PolarHBondContact O-N 3.43Å; G724-L727 CarbonylContact O-C 3.59Å; G724-L727 PolarHBondContact O-N 3.05Å; G724-L727 VanDerWaalsContact O-N 3.16Å; G724-D728 VanDerWaalsContact O-CB 3.31Å; G724-D728 WeakPolarHBondContact O-CB 3.41Å; G724-D728 PolarHBondContact O-N 3.43Å
725	V	82.3	Confident	69.2	Low	19 Å²	19	62.3 Å²	62.3	12%	0.115	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-32.9	177.6	173.3	0	0	0	0	112.2	L686 V690 L721 L722	L686-V725 HydrophobicContact CB-CG2 4.45Å; V690-V725 HydrophobicContact CB-CG1 4.05Å; V690-V725 HydrophobicContact CG1-CG1 4.11Å; V690-V725 HydrophobicContact CG2-CG1 4.14Å; L721-V725 WeakPolarHBondContact O-CG2 3.36Å; L721-V725 PolarHBondContact O-N 3.29Å; L722-V725 PolarHBondContact O-N 3.12Å
726	Y	80.7	Confident	67.1	Low	5 Å²	5	66.9 Å²	66.9	2%	0.02	40%	0.402	C	S	.	.	H	α-helix	trans	-72.6	-30	173.8	-67.6	-23.2	0	0	0	113.4	V690 F696 L722 L723 G724 A746 A747 L750	V690-Y726 HydrophobicContact CB-CE1 4.28Å; V690-Y726 HydrophobicContact CG1-CD1 3.74Å; V690-Y726 HydrophobicContact CG1-CE1 3.74Å; V690-Y726 HydrophobicContact CG2-CD1 4.14Å; V690-Y726 HydrophobicContact CG2-CE1 3.51Å; F696-Y726 HydrophobicContact CD1-CD1 4.43Å; F696-Y726 AromaticContact CD1-CE1 3.59Å; F696-Y726 HydrophobicContact CD1-CE1 3.59Å; F696-Y726 AromaticContact CD1-CZ 3.86Å; F696-Y726 HydrophobicContact CE1-CE1 4.1Å; L722-Y726 HydrophobicContact CD1-CD1 4.34Å; L722-Y726 HydrophobicContact CD1-CE1 3.76Å; L722-Y726 HydrophobicContact CD1-CE2 4.04Å; L722-Y726 HydrophobicContact CD2-CE2 4.13Å; L722-Y726 HydrophobicContact CG-CD2 4.27Å; L722-Y726 HydrophobicContact CG-CE1 4.42Å; L722-Y726 HydrophobicContact CG-CE2 3.82Å; L722-Y726 PolarHBondContact O-N 3.06Å; L723-Y726 PolarHBondContact O-N 3.22Å; G724-Y726 VanDerWaalsContact C-N 3.32Å; G724-Y726 PolarHBondContact O-N 3.43Å; Y726-A746 HydrophobicContact CE2-CB 4.24Å; Y726-A747 HydrophobicContact CD2-CB 4.18Å; Y726-A747 HydrophobicContact CG-CB 4.47Å; Y726-L750 HydrophobicContact CD2-CD2 3.99Å; Y726-L750 HydrophobicContact CE2-CB 4.34Å; Y726-L750 HydrophobicContact CE2-CD2 3.89Å
727	L	76.3	Confident	65.2	Low	41 Å²	41	69.3 Å²	69.3	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-91.7	-26.8	-178.7	-65.6	175.5	0	0	0	113.1	L723 G724 G729 A747 M766 P768 W771	L723-L727 HydrophobicContact CD1-CD1 3.98Å; L723-L727 HydrophobicContact CD1-CG 4.24Å; L723-L727 HydrophobicContact CG-CD1 3.84Å; L723-L727 HydrophobicContact CG-CG 4.43Å; L723-L727 WeakPolarHBondContact O-CB 3.23Å; L723-L727 WeakPolarHBondContact O-CG 3.44Å; L723-L727 PolarHBondContact O-N 2.96Å; G724-L727 CarbonylContact O-C 3.59Å; G724-L727 PolarHBondContact O-N 3.05Å; G724-L727 VanDerWaalsContact O-N 3.16Å; L727-G729 PolarHBondContact O-N 3.16Å; L727-A747 HydrophobicContact CD2-CB 4.29Å; L727-M766 WeakPolarHBondContact CD1-O 3.46Å; L727-P768 HydrophobicContact CD2-CG 4.17Å; L727-W771 HydrophobicContact CD2-CH2 3.83Å; L727-W771 HydrophobicContact CD2-CZ2 3.59Å
728	D	70.6	Confident	63.3	Low	123 Å²	123	67.6 Å²	67.6	66%	0.658	45%	0.447	S	S	*	.			trans	-73.1	70.5	169.4	-87.7	-18	0	0	0	109.1	G724 S730	G724-D728 VanDerWaalsContact O-CB 3.31Å; G724-D728 WeakPolarHBondContact O-CB 3.41Å; G724-D728 PolarHBondContact O-N 3.43Å; D728-S730 PolarHBondContact O-N 2.84Å
729	G	60.2	Low	61.6	Low	58 Å²	58	68.2 Å²	68.2	60%	0.598	46%	0.455	S	S	*	.			trans	-69.9	74.1	166.9	0	0	0	0	0	110.7	L727	L727-G729 PolarHBondContact O-N 3.16Å
730	S	43.6	Very low	60.2	Low	100 Å²	100	70.3 Å²	70.3	70%	0.699	48%	0.477	S	S	*	.			trans	-159	113.1	164.3	-82.7	0	0	0	0	113.5	D728	D728-S730 PolarHBondContact O-N 2.84Å
731	P	43.2	Very low	59.2	Low	94 Å²	94	71.7 Å²	71.7	61%	0.61	49%	0.493	S	S	*	.			trans	-85.9	137.9	131.6	30.2	-26.2	0	0	0	109.5	G733	P731-G733 PolarHBondContact O-N 2.86Å
732	P	40.2	Very low	58.5	Low	135 Å²	135	73.2 Å²	73.2	88%	0.877	50%	0.499	S	S	*	.	S	Bend	trans	-71.3	115.1	172	29.9	-30	0	0	0	108.3
733	G	40.8	Very low	58	Low	66 Å²	66	74.6 Å²	74.6	68%	0.68	51%	0.506	S	S	*	.	S	Bend	trans	114	116.7	161.7	0	0	0	0	0	115.6	P731	P731-G733 PolarHBondContact O-N 2.86Å
734	K	36.6	Very low	57.6	Low	213 Å²	213	79.4 Å²	79.4	93%	0.926	53%	0.528	S	S	*	.			trans	75.1	83.3	156	-59.3	-174.5	179.5	180	0	116.6
735	G	45.7	Very low	57.4	Low	77 Å²	77	84.3 Å²	84.3	79%	0.794	55%	0.547	S	S	*	.				52.6	87.2	128.1	0	0	0	0	0	117.4
736	Q	39.3	Very low	57.3	Low	174 Å²	174	83.9 Å²	83.9	81%	0.813	55%	0.545	S	S	*	.			trans	-152.3	90.2	146.8	-104.7	170.1	36.7	0	0	108.8	A738	Q736-A738 PolarHBondContact O-N 3.03Å; Q736-A738 VanDerWaalsContact O-N 3.1Å
737	A	43.3	Very low	57.3	Low	113 Å²	113	83.6 Å²	83.6	93%	0.934	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	88.9	166.7	0	0	0	0	0	108.7
738	A	44.4	Very low	57.6	Low	98 Å²	98	82.6 Å²	82.6	81%	0.81	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-163.1	-11.3	167.7	0	0	0	0	0	114.8	Q736	Q736-A738 PolarHBondContact O-N 3.03Å; Q736-A738 VanDerWaalsContact O-N 3.1Å
739	G	48.1	Very low	58.2	Low	20 Å²	20	80 Å²	80	21%	0.206	53%	0.526	C	S	.	.	S	Bend	trans	-112.1	-2.7	-172.1	0	0	0	0	0	117.1	G741 E742	G739-G741 VanDerWaalsContact C-N 3.35Å; G739-G741 PolarHBondContact O-N 2.9Å; G739-E742 PolarHBondContact O-N 3.38Å
740	G	54.8	Low	59.4	Low	45 Å²	45	77.3 Å²	77.3	46%	0.464	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-35.9	-176.6	0	0	0	0	0	113.6	E742 M743 E744	G740-E742 VanDerWaalsContact C-N 3.34Å; G740-E742 PolarHBondContact O-N 3.36Å; G740-M743 PolarHBondContact O-N 3.15Å; G740-E744 WeakPolarHBondContact O-CG 3.21Å; G740-E744 PolarHBondContact O-N 2.98Å; G740-E744 VanDerWaalsContact O-N 3.14Å
741	G	62.3	Low	61.4	Low	36 Å²	36	72.5 Å²	72.5	37%	0.371	46%	0.464	S	S	.	.	H	α-helix	trans	-66.7	-30.5	-178.9	0	0	0	0	0	114.1	G739 M745	G739-G741 VanDerWaalsContact C-N 3.35Å; G739-G741 PolarHBondContact O-N 2.9Å; G741-M745 WeakPolarHBondContact O-CB 3.33Å; G741-M745 VanDerWaalsContact O-CE 3.26Å; G741-M745 WeakPolarHBondContact O-CE 3.36Å; G741-M745 VanDerWaalsContact O-CG 3.25Å; G741-M745 WeakPolarHBondContact O-CG 3.36Å; G741-M745 PolarHBondContact O-N 3.3Å
742	E	69.1	Low	63.3	Low	99 Å²	99	69.4 Å²	69.4	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-69.8	-39.7	177.8	-69.8	-178.4	166.6	0	0	112	F696 G739 G740 M745 A746	F696-E742 HydrophobicContact CE2-CB 4.4Å; F696-E742 HydrophobicContact CZ-CB 4.37Å; G739-E742 PolarHBondContact O-N 3.38Å; G740-E742 VanDerWaalsContact C-N 3.34Å; G740-E742 PolarHBondContact O-N 3.36Å; E742-M745 PolarHBondContact O-N 3.18Å; E742-A746 WeakPolarHBondContact O-CB 3.49Å; E742-A746 PolarHBondContact O-N 3.22Å
743	M	71.9	Confident	65.4	Low	30 Å²	30	70 Å²	70	15%	0.148	43%	0.427	C	S	.	.	H	α-helix	trans	-70.4	-39.5	177.5	-65.6	178	179.1	0	0	111.6	F696 G740 A746 A747	F696-M743 HydrophobicContact CE1-CG 4.16Å; F696-M743 HydrophobicContact CZ-CG 4.24Å; G740-M743 PolarHBondContact O-N 3.15Å; M743-A746 PolarHBondContact O-N 3.27Å; M743-A747 WeakPolarHBondContact O-CB 3.4Å; M743-A747 PolarHBondContact O-N 2.97Å
744	E	74.2	Confident	67.3	Low	101 Å²	101	69 Å²	69	47%	0.472	40%	0.404	S	S	.	.	H	α-helix	trans	-63.7	-43.5	173.4	-71.1	175.5	174.8	0	0	111.5	G740 A747 V748 W771	G740-E744 WeakPolarHBondContact O-CG 3.21Å; G740-E744 PolarHBondContact O-N 2.98Å; G740-E744 VanDerWaalsContact O-N 3.14Å; E744-A747 PolarHBondContact O-N 3.41Å; E744-V748 WeakPolarHBondContact O-CG2 3.3Å; E744-V748 PolarHBondContact O-N 2.97Å; E744-W771 HydrophobicContact CB-CZ2 4.44Å
745	M	78.6	Confident	69.1	Low	123 Å²	123	59 Å²	59	61%	0.606	36%	0.363	S	S	*	.	H	α-helix	trans	-62.5	-43.4	174.1	-78.1	-173.7	-79.3	0	0	111.9	G741 E742 A747 V748 D749	G741-M745 WeakPolarHBondContact O-CB 3.33Å; G741-M745 VanDerWaalsContact O-CE 3.26Å; G741-M745 WeakPolarHBondContact O-CE 3.36Å; G741-M745 VanDerWaalsContact O-CG 3.25Å; G741-M745 WeakPolarHBondContact O-CG 3.36Å; G741-M745 PolarHBondContact O-N 3.3Å; E742-M745 PolarHBondContact O-N 3.18Å; M745-A747 VanDerWaalsContact C-N 3.33Å; M745-A747 PolarHBondContact O-N 3.21Å; M745-V748 PolarHBondContact O-N 3.45Å; M745-D749 WeakPolarHBondContact O-CB 3.34Å; M745-D749 PolarHBondContact O-N 3.36Å
746	A	79.3	Confident	70.4	Confident	10 Å²	10	63.7 Å²	63.7	8%	0.083	36%	0.364	C	S	.	.	H	α-helix	trans	-63.2	-37.5	175.8	0	0	0	0	0	112.3	F696 Y726 E742 M743 D749 L750	F696-A746 HydrophobicContact CB-CB 4.27Å; F696-A746 HydrophobicContact CD1-CB 3.77Å; F696-A746 HydrophobicContact CD2-CB 4.28Å; F696-A746 HydrophobicContact CE1-CB 4.12Å; F696-A746 HydrophobicContact CG-CB 3.85Å; Y726-A746 HydrophobicContact CE2-CB 4.24Å; E742-A746 WeakPolarHBondContact O-CB 3.49Å; E742-A746 PolarHBondContact O-N 3.22Å; M743-A746 PolarHBondContact O-N 3.27Å; A746-D749 PolarHBondContact O-N 2.94Å; A746-L750 VanDerWaalsContact O-CB 3.26Å; A746-L750 WeakPolarHBondContact O-CB 3.45Å; A746-L750 PolarHBondContact O-N 3.07Å
747	A	81.4	Confident	72.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.8	-41.5	175.2	0	0	0	0	0	112.6	L723 Y726 L727 M743 E744 M745 L750 L751 W771	L723-A747 HydrophobicContact CD1-CB 4Å; Y726-A747 HydrophobicContact CD2-CB 4.18Å; Y726-A747 HydrophobicContact CG-CB 4.47Å; L727-A747 HydrophobicContact CD2-CB 4.29Å; M743-A747 WeakPolarHBondContact O-CB 3.4Å; M743-A747 PolarHBondContact O-N 2.97Å; E744-A747 PolarHBondContact O-N 3.41Å; M745-A747 VanDerWaalsContact C-N 3.33Å; M745-A747 PolarHBondContact O-N 3.21Å; A747-L750 PolarHBondContact O-N 3.45Å; A747-L751 WeakPolarHBondContact O-CG 3.33Å; A747-L751 PolarHBondContact O-N 3.02Å; A747-L751 VanDerWaalsContact O-N 3.13Å; A747-W771 HydrophobicContact CB-CH2 3.71Å; A747-W771 HydrophobicContact CB-CZ2 4.27Å
748	V	82.4	Confident	74.2	Confident	19 Å²	19	52.2 Å²	52.2	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-43.9	174.1	172.5	0	0	0	0	111	E744 M745 L751 N752 W771 L775	E744-V748 WeakPolarHBondContact O-CG2 3.3Å; E744-V748 PolarHBondContact O-N 2.97Å; M745-V748 PolarHBondContact O-N 3.45Å; V748-L751 PolarHBondContact O-N 3.06Å; V748-N752 WeakPolarHBondContact CG1-ND2 3.29Å; V748-N752 WeakPolarHBondContact O-CB 3.48Å; V748-N752 PolarHBondContact O-N 3.35Å; V748-N752 PolarHBondContact O-ND2 3.5Å; V748-W771 HydrophobicContact CG2-CE3 4.02Å; V748-W771 HydrophobicContact CG2-CH2 3.67Å; V748-W771 HydrophobicContact CG2-CZ2 4.22Å; V748-W771 HydrophobicContact CG2-CZ3 3.55Å; V748-L775 HydrophobicContact CG1-CB 4.36Å
749	D	83.5	Confident	76	Confident	70 Å²	70	50.6 Å²	50.6	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-43.5	176.2	-94.4	16.7	0	0	0	111.8	M745 A746 L751 N752 R753	M745-D749 WeakPolarHBondContact O-CB 3.34Å; M745-D749 PolarHBondContact O-N 3.36Å; A746-D749 PolarHBondContact O-N 2.94Å; D749-L751 PolarHBondContact O-N 3.49Å; D749-N752 PolarHBondContact O-N 3.46Å; D749-R753 VanDerWaalsContact O-CB 3.3Å; D749-R753 WeakPolarHBondContact O-CB 3.41Å; D749-R753 VanDerWaalsContact O-CG 3.24Å; D749-R753 WeakPolarHBondContact O-CG 3.49Å; D749-R753 PolarHBondContact O-N 2.8Å; D749-R753 IonicContact OD2-CZ 2.7Å; D749-R753 IonicContact OD2-NE 3.36Å; D749-R753 IonicContact OD2-NH2 2.74Å; D749-R753 PolarHBondContact OD2-NH2 3.15Å
750	L	85.1	Confident	77.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-47	177	-176	72.5	0	0	0	111.5	E700 F719 L722 L723 Y726 A746 A747 H754 F758	E700-L750 HydrophobicContact CG-CD1 3.72Å; F719-L750 HydrophobicContact CD1-CD1 3.95Å; F719-L750 HydrophobicContact CD1-CG 4.5Å; F719-L750 HydrophobicContact CE1-CD1 3.89Å; L722-L750 HydrophobicContact CB-CD2 4.49Å; L722-L750 HydrophobicContact CD2-CD1 3.9Å; L722-L750 HydrophobicContact CD2-CD2 3.87Å; L722-L750 HydrophobicContact CG-CD2 4Å; L723-L750 HydrophobicContact CB-CD2 4.27Å; Y726-L750 HydrophobicContact CD2-CD2 3.99Å; Y726-L750 HydrophobicContact CE2-CB 4.34Å; Y726-L750 HydrophobicContact CE2-CD2 3.89Å; A746-L750 VanDerWaalsContact O-CB 3.26Å; A746-L750 WeakPolarHBondContact O-CB 3.45Å; A746-L750 PolarHBondContact O-N 3.07Å; A747-L750 PolarHBondContact O-N 3.45Å; L750-H754 PolarHBondContact O-N 2.91Å; L750-F758 HydrophobicContact CD2-CZ 3.88Å; L750-F758 HydrophobicContact CG-CE2 4.26Å; L750-F758 HydrophobicContact CG-CZ 3.98Å
751	L	84.4	Confident	78.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-41.2	178	-72.5	172.9	0	0	0	112.1	L723 A747 V748 D749 G755 F758 V763 L767 W771 L776 F779	L723-L751 HydrophobicContact CD1-CD1 4.22Å; L723-L751 HydrophobicContact CD1-CD2 4.39Å; L723-L751 HydrophobicContact CD1-CG 4.15Å; L723-L751 HydrophobicContact CD2-CD2 3.86Å; L723-L751 HydrophobicContact CD2-CG 4.48Å; A747-L751 WeakPolarHBondContact O-CG 3.33Å; A747-L751 PolarHBondContact O-N 3.02Å; A747-L751 VanDerWaalsContact O-N 3.13Å; V748-L751 PolarHBondContact O-N 3.06Å; D749-L751 PolarHBondContact O-N 3.49Å; L751-G755 WeakPolarHBondContact O-CA 3.32Å; L751-G755 PolarHBondContact O-N 3.38Å; L751-G755 VanDerWaalsContact O-N 3.11Å; L751-F758 HydrophobicContact CD2-CD1 4.29Å; L751-F758 HydrophobicContact CD2-CD2 3.96Å; L751-F758 HydrophobicContact CD2-CE1 4.27Å; L751-F758 HydrophobicContact CD2-CE2 3.95Å; L751-F758 HydrophobicContact CD2-CG 4.13Å; L751-F758 HydrophobicContact CD2-CZ 4.1Å; L751-V763 HydrophobicContact CD1-CG1 4.23Å; L751-V763 HydrophobicContact CD2-CG1 3.65Å; L751-V763 HydrophobicContact CD2-CG2 4.11Å; L751-L767 HydrophobicContact CD1-CD2 3.86Å; L751-W771 HydrophobicContact CD1-CZ3 4.04Å; L751-L776 HydrophobicContact CD1-CD2 3.78Å; L751-F779 HydrophobicContact CB-CD2 4.47Å; L751-F779 HydrophobicContact CB-CG 4.47Å; L751-F779 HydrophobicContact CD2-CE2 4.39Å; L751-F779 HydrophobicContact CD2-CZ 4.5Å; L751-F779 WeakPolarHBondContact O-CD2 3.47Å
752	N	84.6	Confident	79.6	Confident	28 Å²	28	57 Å²	57	15%	0.15	28%	0.278	C	S	.	.	H	α-helix	trans	-76.7	-26.2	-179	-76.5	-36.5	0	0	0	113.1	V748 D749 L775 P778 F779 R782	V748-N752 WeakPolarHBondContact CG1-ND2 3.29Å; V748-N752 WeakPolarHBondContact O-CB 3.48Å; V748-N752 PolarHBondContact O-N 3.35Å; V748-N752 PolarHBondContact O-ND2 3.5Å; D749-N752 PolarHBondContact O-N 3.46Å; N752-L775 PolarHBondContact ND2-O 3.43Å; N752-P778 WeakPolarHBondContact OD1-CB 3.42Å; N752-P778 WeakPolarHBondContact OD1-CD 3.44Å; N752-F779 PolarHBondContact OD1-N 3.26Å; N752-R782 PolarHBondContact O-NH1 3.18Å; N752-R782 PolarHBondContact O-NH2 2.99Å
753	R	83.4	Confident	80.3	Confident	149 Å²	149	52.3 Å²	52.3	56%	0.562	26%	0.256	S	S	*	.	H	α-helix	trans	-84.7	-48	175.5	-69.1	176.4	-166.5	-171.8	7.2	112.2	D749	D749-R753 VanDerWaalsContact O-CB 3.3Å; D749-R753 WeakPolarHBondContact O-CB 3.41Å; D749-R753 VanDerWaalsContact O-CG 3.24Å; D749-R753 WeakPolarHBondContact O-CG 3.49Å; D749-R753 PolarHBondContact O-N 2.8Å; D749-R753 IonicContact OD2-CZ 2.7Å; D749-R753 IonicContact OD2-NE 3.36Å; D749-R753 IonicContact OD2-NH2 2.74Å; D749-R753 PolarHBondContact OD2-NH2 3.15Å
754	H	80.1	Confident	80.6	Confident	43 Å²	43	55.4 Å²	55.4	20%	0.199	27%	0.273	C	S	.	.	H	α-helix	trans	-107.4	25	-172.6	-68.4	-63.8	0	0	0	114.6	E700 F719 L750 E756 V757 F758	E700-H754 IonicContact OE2-NE2 2.57Å; F719-H754 HydrophobicContact CD1-CB 4.25Å; F719-H754 HydrophobicContact CE1-CB 3.92Å; F719-H754 AromaticContact CE1-CD2 3.7Å; F719-H754 AromaticContact CE1-CG 3.75Å; L750-H754 PolarHBondContact O-N 2.91Å; H754-E756 PolarHBondContact O-N 3.4Å; H754-V757 WeakPolarHBondContact O-CB 3.44Å; H754-V757 PolarHBondContact O-N 3.25Å; H754-F758 HydrophobicContact CB-CE2 4.28Å; H754-F758 WeakPolarHBondContact O-CD2 3.34Å
755	G	74.8	Confident	81	Confident	5 Å²	5	60.6 Å²	60.6	5%	0.052	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.8	-174.1	0	0	0	0	0	117.2	L751 V757 F779	L751-G755 WeakPolarHBondContact O-CA 3.32Å; L751-G755 PolarHBondContact O-N 3.38Å; L751-G755 VanDerWaalsContact O-N 3.11Å; G755-V757 VanDerWaalsContact C-N 3.29Å; G755-V757 PolarHBondContact O-N 3.31Å; G755-F779 VanDerWaalsContact CA-CD2 3.49Å; G755-F779 WeakPolarHBondContact O-CE2 3.43Å
756	E	73.4	Confident	81	Confident	174 Å²	174	57.6 Å²	57.6	81%	0.813	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.9	178.5	-63.4	178.5	176.1	0	0	113.5	H754	H754-E756 PolarHBondContact O-N 3.4Å
757	V	80.4	Confident	81.1	Confident	32 Å²	32	58.3 Å²	58.3	19%	0.194	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-24.2	-177.7	-178	0	0	0	0	111.1	R715 Q716 F719 H754 G755	R715-V757 HydrophobicContact CG-CG1 3.85Å; Q716-V757 VanDerWaalsContact CG-O 3.29Å; Q716-V757 WeakPolarHBondContact CG-O 3.42Å; Q716-V757 PolarHBondContact NE2-O 2.92Å; F719-V757 HydrophobicContact CB-CG1 4.32Å; F719-V757 HydrophobicContact CD2-CG1 4.08Å; F719-V757 HydrophobicContact CG-CG1 4.16Å; H754-V757 WeakPolarHBondContact O-CB 3.44Å; H754-V757 PolarHBondContact O-N 3.25Å; G755-V757 VanDerWaalsContact C-N 3.29Å; G755-V757 PolarHBondContact O-N 3.31Å
758	F	81.6	Confident	80.9	Confident	14 Å²	14	60.6 Å²	60.6	6%	0.061	29%	0.29	C	S	.	.	S	Bend	trans	-82.9	147	-175	-73.3	-79	0	0	0	112.7	F719 H720 L723 L750 L751 H754 A760 V763 F779	F719-F758 HydrophobicContact CB-CE1 3.93Å; F719-F758 HydrophobicContact CB-CZ 3.88Å; F719-F758 HydrophobicContact CD1-CE2 4.3Å; F719-F758 HydrophobicContact CD1-CZ 4.09Å; F719-F758 HydrophobicContact CG-CZ 4.5Å; F719-F758 WeakPolarHBondContact O-CE1 3.38Å; H720-F758 AromaticContact CE1-CD1 3.8Å; H720-F758 AromaticContact ND1-CD1 3.93Å; L723-F758 HydrophobicContact CB-CE1 4.1Å; L723-F758 HydrophobicContact CB-CZ 4.47Å; L723-F758 HydrophobicContact CD2-CD1 4.37Å; L723-F758 HydrophobicContact CD2-CE1 3.87Å; L750-F758 HydrophobicContact CD2-CZ 3.88Å; L750-F758 HydrophobicContact CG-CE2 4.26Å; L750-F758 HydrophobicContact CG-CZ 3.98Å; L751-F758 HydrophobicContact CD2-CD1 4.29Å; L751-F758 HydrophobicContact CD2-CD2 3.96Å; L751-F758 HydrophobicContact CD2-CE1 4.27Å; L751-F758 HydrophobicContact CD2-CE2 3.95Å; L751-F758 HydrophobicContact CD2-CG 4.13Å; L751-F758 HydrophobicContact CD2-CZ 4.1Å; H754-F758 HydrophobicContact CB-CE2 4.28Å; H754-F758 WeakPolarHBondContact O-CD2 3.34Å; F758-A760 PolarHBondContact O-N 3.39Å; F758-V763 HydrophobicContact CB-CG2 3.65Å; F758-V763 HydrophobicContact CD1-CG2 3.48Å; F758-V763 VanDerWaalsContact CD1-CG2 3.48Å; F758-V763 HydrophobicContact CE1-CG2 4.38Å; F758-V763 HydrophobicContact CG-CG2 3.81Å; F758-F779 HydrophobicContact CB-CE2 3.93Å; F758-F779 HydrophobicContact CB-CZ 4.13Å; F758-F779 HydrophobicContact CD2-CE2 4.49Å
759	D	81.8	Confident	80.5	Confident	65 Å²	65	69.4 Å²	69.4	35%	0.348	33%	0.33	S	S	.	.			trans	-81.8	111.8	164	176.3	-1.6	0	0	0	107.3	Q716 H720 V761 R762 V763	Q716-D759 VanDerWaalsContact NE2-N 3.2Å; H720-D759 PolarHBondContact CE1-N 2.68Å; D759-V761 PolarHBondContact O-N 3.03Å; D759-V761 PolarHBondContact OD1-N 2.98Å; D759-R762 HydrophobicContact CB-CB 3.98Å; D759-R762 PolarHBondContact O-N 3.16Å; D759-R762 VanDerWaalsContact O-N 3.13Å; D759-V763 WeakPolarHBondContact O-CG2 3.21Å; D759-V763 PolarHBondContact O-N 3.44Å
760	A	79.8	Confident	80	Confident	28 Å²	28	71 Å²	71	23%	0.231	35%	0.347	C	S	.	.	H	α-helix	trans	-55.7	-35	-178.7	0	0	0	0	0	112.7	F758 L764 F779 A783	F758-A760 PolarHBondContact O-N 3.39Å; A760-L764 WeakPolarHBondContact O-CB 3.3Å; A760-L764 WeakPolarHBondContact O-CD1 3.25Å; A760-L764 WeakPolarHBondContact O-CG 3.33Å; A760-L764 PolarHBondContact O-N 3.33Å; A760-L764 VanDerWaalsContact O-N 3.12Å; A760-F779 HydrophobicContact CB-CZ 4.44Å; A760-A783 HydrophobicContact CB-CB 3.7Å
761	V	81.4	Confident	79.7	Confident	81 Å²	81	72.6 Å²	72.6	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-71.1	-41.7	-179.8	-178.3	0	0	0	0	110.7	D759 R765	D759-V761 PolarHBondContact O-N 3.03Å; D759-V761 PolarHBondContact OD1-N 2.98Å; V761-R765 WeakPolarHBondContact O-CG 3.41Å; V761-R765 PolarHBondContact O-N 2.85Å
762	R	80.9	Confident	79.5	Confident	126 Å²	126	75.4 Å²	75.4	48%	0.475	37%	0.372	S	S	.	.	H	α-helix	trans	-71.5	-40.8	179.4	-170.8	172.3	175.4	177.2	1.9	112	H720 D759 R765 M766	H720-R762 VanDerWaalsContact CD2-CD 3.43Å; H720-R762 WeakPolarHBondContact CD2-CD 3.24Å; D759-R762 HydrophobicContact CB-CB 3.98Å; D759-R762 PolarHBondContact O-N 3.16Å; D759-R762 VanDerWaalsContact O-N 3.13Å; R762-R765 PolarHBondContact O-N 3.36Å; R762-M766 HydrophobicContact CG-CE 4.43Å; R762-M766 HydrophobicContact CG-SD 4.38Å; R762-M766 WeakPolarHBondContact O-CG 3.41Å; R762-M766 PolarHBondContact O-N 3.03Å
763	V	82.7	Confident	79.2	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-59.9	-46.7	175.1	169.2	0	0	0	0	111.1	L723 L751 F758 D759 R765 M766 L767 F779	L723-V763 HydrophobicContact CD2-CG1 4.34Å; L723-V763 HydrophobicContact CD2-CG2 4.07Å; L751-V763 HydrophobicContact CD1-CG1 4.23Å; L751-V763 HydrophobicContact CD2-CG1 3.65Å; L751-V763 HydrophobicContact CD2-CG2 4.11Å; F758-V763 HydrophobicContact CB-CG2 3.65Å; F758-V763 HydrophobicContact CD1-CG2 3.48Å; F758-V763 VanDerWaalsContact CD1-CG2 3.48Å; F758-V763 HydrophobicContact CE1-CG2 4.38Å; F758-V763 HydrophobicContact CG-CG2 3.81Å; D759-V763 WeakPolarHBondContact O-CG2 3.21Å; D759-V763 PolarHBondContact O-N 3.44Å; V763-R765 PolarHBondContact O-N 2.92Å; V763-R765 VanDerWaalsContact O-N 3.1Å; V763-M766 HydrophobicContact CG2-CE 4.26Å; V763-M766 PolarHBondContact O-N 3.32Å; V763-L767 HydrophobicContact CG1-CD1 3.83Å; V763-L767 HydrophobicContact CG1-CG 4.04Å; V763-L767 VanDerWaalsContact O-CG 3.31Å; V763-L767 WeakPolarHBondContact O-CG 3.17Å; V763-L767 PolarHBondContact O-N 3.16Å; V763-L767 VanDerWaalsContact O-N 3.11Å; V763-F779 HydrophobicContact CB-CE1 4.3Å; V763-F779 HydrophobicContact CB-CZ 4.14Å; V763-F779 HydrophobicContact CG1-CE1 3.86Å; V763-F779 HydrophobicContact CG1-CZ 4.03Å; V763-F779 HydrophobicContact CG2-CZ 4.28Å
764	L	79.8	Confident	78.9	Confident	96 Å²	96	80.8 Å²	80.8	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-57.3	-27.5	177.7	-75.9	171.3	0	0	0	113.8	A760 L767 L780	A760-L764 WeakPolarHBondContact O-CB 3.3Å; A760-L764 WeakPolarHBondContact O-CD1 3.25Å; A760-L764 WeakPolarHBondContact O-CG 3.33Å; A760-L764 PolarHBondContact O-N 3.33Å; A760-L764 VanDerWaalsContact O-N 3.12Å; L764-L767 HydrophobicContact CD2-CD1 4.4Å; L764-L780 HydrophobicContact CD2-CD2 4.06Å
765	R	81.6	Confident	78.9	Confident	209 Å²	209	83 Å²	83	79%	0.789	42%	0.419	S	S	*	.	H	α-helix	trans	-82.3	-22	176.1	-67.6	176.8	-176.7	170.3	1.7	114	V761 R762 V763	V761-R765 WeakPolarHBondContact O-CG 3.41Å; V761-R765 PolarHBondContact O-N 2.85Å; R762-R765 PolarHBondContact O-N 3.36Å; V763-R765 PolarHBondContact O-N 2.92Å; V763-R765 VanDerWaalsContact O-N 3.1Å
766	M	79.5	Confident	79.1	Confident	60 Å²	60	83 Å²	83	30%	0.296	42%	0.418	S	S	.	.	H	α-helix	trans	-93.3	-17.3	-179	-64.9	-175.5	-50.1	0	0	112.6	H720 L723 L727 R762 V763	H720-M766 HydrophobicContact CB-CE 4.34Å; H720-M766 WeakPolarHBondContact CD2-CE 3.29Å; L723-M766 HydrophobicContact CD2-CE 3.7Å; L727-M766 WeakPolarHBondContact CD1-O 3.46Å; R762-M766 HydrophobicContact CG-CE 4.43Å; R762-M766 HydrophobicContact CG-SD 4.38Å; R762-M766 WeakPolarHBondContact O-CG 3.41Å; R762-M766 PolarHBondContact O-N 3.03Å; V763-M766 HydrophobicContact CG2-CE 4.26Å; V763-M766 PolarHBondContact O-N 3.32Å
767	L	79.9	Confident	79.6	Confident	25 Å²	25	83 Å²	83	13%	0.131	41%	0.411	C	S	.	.	S	Bend	trans	-71.6	138	-177.4	-75.2	169.6	0	0	0	112	L751 V763 L764 W771 L776	L751-L767 HydrophobicContact CD1-CD2 3.86Å; V763-L767 HydrophobicContact CG1-CD1 3.83Å; V763-L767 HydrophobicContact CG1-CG 4.04Å; V763-L767 VanDerWaalsContact O-CG 3.31Å; V763-L767 WeakPolarHBondContact O-CG 3.17Å; V763-L767 PolarHBondContact O-N 3.16Å; V763-L767 VanDerWaalsContact O-N 3.11Å; L764-L767 HydrophobicContact CD2-CD1 4.4Å; L767-W771 HydrophobicContact CD2-CD2 4.33Å; L767-W771 HydrophobicContact CD2-CE3 3.48Å; L767-W771 VanDerWaalsContact CD2-CE3 3.48Å; L767-W771 HydrophobicContact CD2-CH2 4.1Å; L767-W771 HydrophobicContact CD2-CZ3 3.33Å; L767-L776 HydrophobicContact CD1-CD1 3.5Å; L767-L776 HydrophobicContact CD1-CD2 4.49Å; L767-L776 HydrophobicContact CD2-CD1 4.39Å
768	P	78.4	Confident	79.8	Confident	48 Å²	48	83.9 Å²	83.9	31%	0.312	42%	0.417	S	S	.	.			trans	-62.7	142.6	172.2	-21.6	33	0	0	0	112.3	L727 S770 W771	L727-P768 HydrophobicContact CD2-CG 4.17Å; P768-S770 PolarHBondContact O-N 3.35Å; P768-S770 VanDerWaalsContact O-N 3.13Å; P768-W771 PolarHBondContact O-N 3.11Å
769	E	73.9	Confident	80	Confident	205 Å²	205	83.2 Å²	83.2	96%	0.958	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.3	175.6	-62.8	-175.2	171.2	0	0	113.2	W771	E769-W771 VanDerWaalsContact C-N 3.31Å; E769-W771 PolarHBondContact O-N 3.48Å
770	S	72.8	Confident	80.1	Confident	102 Å²	102	81.9 Å²	81.9	71%	0.713	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.5	179.9	56.2	0	0	0	0	114.4	P768	P768-S770 PolarHBondContact O-N 3.35Å; P768-S770 VanDerWaalsContact O-N 3.13Å
771	W	79.3	Confident	80.3	Confident	34 Å²	34	83.8 Å²	83.8	13%	0.129	41%	0.413	C	S	.	.	S	Bend	trans	-82	133.6	-175.4	-78	21.6	0	0	0	113	L727 E744 A747 V748 L751 L767 P768 E769 L776	L727-W771 HydrophobicContact CD2-CH2 3.83Å; L727-W771 HydrophobicContact CD2-CZ2 3.59Å; E744-W771 HydrophobicContact CB-CZ2 4.44Å; A747-W771 HydrophobicContact CB-CH2 3.71Å; A747-W771 HydrophobicContact CB-CZ2 4.27Å; V748-W771 HydrophobicContact CG2-CE3 4.02Å; V748-W771 HydrophobicContact CG2-CH2 3.67Å; V748-W771 HydrophobicContact CG2-CZ2 4.22Å; V748-W771 HydrophobicContact CG2-CZ3 3.55Å; L751-W771 HydrophobicContact CD1-CZ3 4.04Å; L767-W771 HydrophobicContact CD2-CD2 4.33Å; L767-W771 HydrophobicContact CD2-CE3 3.48Å; L767-W771 VanDerWaalsContact CD2-CE3 3.48Å; L767-W771 HydrophobicContact CD2-CH2 4.1Å; L767-W771 HydrophobicContact CD2-CZ3 3.33Å; P768-W771 PolarHBondContact O-N 3.11Å; E769-W771 VanDerWaalsContact C-N 3.31Å; E769-W771 PolarHBondContact O-N 3.48Å; W771-L776 HydrophobicContact CE3-CD1 4.22Å; W771-L776 HydrophobicContact CE3-CD2 4.02Å; W771-L776 HydrophobicContact CE3-CG 4.32Å; W771-L776 HydrophobicContact CZ3-CD2 4.05Å
772	S	79.3	Confident	80.4	Confident	59 Å²	59	84.6 Å²	84.6	41%	0.413	41%	0.408	S	S	.	.			trans	-73.3	134.7	174.9	74.6	0	0	0	0	111.7	Q774 L775	S772-Q774 PolarHBondContact O-N 2.88Å; S772-L775 PolarHBondContact O-N 2.94Å; S772-L775 VanDerWaalsContact O-N 3.13Å; S772-L775 WeakPolarHBondContact OG-CG 3.4Å
773	L	77.8	Confident	80.5	Confident	129 Å²	129	79.6 Å²	79.6	68%	0.675	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.1	176.5	-69.3	173.7	0	0	0	113.1	L775 L776 R777 L780	L773-L775 VanDerWaalsContact C-N 3.33Å; L773-L775 PolarHBondContact O-N 3.49Å; L773-L776 PolarHBondContact O-N 2.91Å; L773-R777 PolarHBondContact O-N 3.09Å; L773-R777 VanDerWaalsContact O-N 3.16Å; L773-L780 HydrophobicContact CD2-CD1 4.29Å
774	Q	78.8	Confident	80.5	Confident	161 Å²	161	84.9 Å²	84.9	75%	0.752	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-36.3	178.5	-171.8	169.3	-3.5	0	0	112.3	S772 L776 R777	S772-Q774 PolarHBondContact O-N 2.88Å; Q774-L776 VanDerWaalsContact C-N 3.3Å; Q774-L776 PolarHBondContact O-N 2.98Å; Q774-R777 WeakPolarHBondContact O-CB 3.45Å; Q774-R777 PolarHBondContact O-N 3.23Å
775	L	79.8	Confident	80.7	Confident	90 Å²	90	89 Å²	89	47%	0.471	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-28.9	178.5	-65.2	169.2	0	0	0	112.5	V748 N752 S772 L773	V748-L775 HydrophobicContact CG1-CB 4.36Å; N752-L775 PolarHBondContact ND2-O 3.43Å; S772-L775 PolarHBondContact O-N 2.94Å; S772-L775 VanDerWaalsContact O-N 3.13Å; S772-L775 WeakPolarHBondContact OG-CG 3.4Å; L773-L775 VanDerWaalsContact C-N 3.33Å; L773-L775 PolarHBondContact O-N 3.49Å
776	L	79.3	Confident	80.8	Confident	6 Å²	6	81.8 Å²	81.8	3%	0.031	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.6	-178.3	-63	173.6	0	0	0	113.6	L751 L767 W771 L773 Q774 P778 F779 L780	L751-L776 HydrophobicContact CD1-CD2 3.78Å; L767-L776 HydrophobicContact CD1-CD1 3.5Å; L767-L776 HydrophobicContact CD1-CD2 4.49Å; L767-L776 HydrophobicContact CD2-CD1 4.39Å; W771-L776 HydrophobicContact CE3-CD1 4.22Å; W771-L776 HydrophobicContact CE3-CD2 4.02Å; W771-L776 HydrophobicContact CE3-CG 4.32Å; W771-L776 HydrophobicContact CZ3-CD2 4.05Å; L773-L776 PolarHBondContact O-N 2.91Å; Q774-L776 VanDerWaalsContact C-N 3.3Å; Q774-L776 PolarHBondContact O-N 2.98Å; L776-P778 VanDerWaalsContact C-CD 3.45Å; L776-F779 PolarHBondContact O-N 3.37Å; L776-L780 HydrophobicContact CB-CD1 4.18Å; L776-L780 HydrophobicContact CB-CG 4.33Å; L776-L780 WeakPolarHBondContact O-CG 3.36Å; L776-L780 PolarHBondContact O-N 3.35Å
777	R	83.4	Confident	80.9	Confident	172 Å²	172	83.1 Å²	83.1	65%	0.649	43%	0.429	S	S	*	.	H	α-helix	trans	-52.8	-43.2	-177.8	-179.4	179.2	179.2	-168.6	0.8	113.5	L773 Q774 N781	L773-R777 PolarHBondContact O-N 3.09Å; L773-R777 VanDerWaalsContact O-N 3.16Å; Q774-R777 WeakPolarHBondContact O-CB 3.45Å; Q774-R777 PolarHBondContact O-N 3.23Å; R777-N781 WeakPolarHBondContact CG-ND2 3.47Å; R777-N781 WeakPolarHBondContact O-CB 3.41Å; R777-N781 PolarHBondContact O-N 2.72Å; R777-N781 VanDerWaalsContact O-N 3.13Å; R777-N781 PolarHBondContact O-ND2 3.27Å
778	P	85	Confident	81.2	Confident	51 Å²	51	86.8 Å²	86.8	33%	0.331	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-44	178.9	-19	31.8	0	0	0	112.4	N752 L776 R782	N752-P778 WeakPolarHBondContact OD1-CB 3.42Å; N752-P778 WeakPolarHBondContact OD1-CD 3.44Å; L776-P778 VanDerWaalsContact C-CD 3.45Å; P778-R782 WeakPolarHBondContact O-CG 3.43Å; P778-R782 PolarHBondContact O-N 3.12Å
779	F	85.2	Confident	81.6	Confident	0 Å²	0	90.5 Å²	90.5	0%	0	46%	0.46	C	S	.	.	H	α-helix	trans	-59.8	-54.4	175.6	172.8	-106.6	0	0	0	112.2	L751 N752 G755 F758 A760 V763 L776 N781 R782 A783	L751-F779 HydrophobicContact CB-CD2 4.47Å; L751-F779 HydrophobicContact CB-CG 4.47Å; L751-F779 HydrophobicContact CD2-CE2 4.39Å; L751-F779 HydrophobicContact CD2-CZ 4.5Å; L751-F779 WeakPolarHBondContact O-CD2 3.47Å; N752-F779 PolarHBondContact OD1-N 3.26Å; G755-F779 VanDerWaalsContact CA-CD2 3.49Å; G755-F779 WeakPolarHBondContact O-CE2 3.43Å; F758-F779 HydrophobicContact CB-CE2 3.93Å; F758-F779 HydrophobicContact CB-CZ 4.13Å; F758-F779 HydrophobicContact CD2-CE2 4.49Å; A760-F779 HydrophobicContact CB-CZ 4.44Å; V763-F779 HydrophobicContact CB-CE1 4.3Å; V763-F779 HydrophobicContact CB-CZ 4.14Å; V763-F779 HydrophobicContact CG1-CE1 3.86Å; V763-F779 HydrophobicContact CG1-CZ 4.03Å; V763-F779 HydrophobicContact CG2-CZ 4.28Å; L776-F779 PolarHBondContact O-N 3.37Å; F779-N781 VanDerWaalsContact C-N 3.35Å; F779-N781 PolarHBondContact O-N 3.08Å; F779-R782 PolarHBondContact O-N 3.41Å; F779-R782 VanDerWaalsContact O-N 3.12Å; F779-A783 PolarHBondContact O-N 3.27Å
780	L	82.8	Confident	82.1	Confident	37 Å²	37	83.3 Å²	83.3	19%	0.194	44%	0.436	C	S	.	.	H	α-helix	trans	-61	-41.6	-176.5	-67.4	174	0	0	0	112.4	L764 L773 L776 R782 A783 I784	L764-L780 HydrophobicContact CD2-CD2 4.06Å; L773-L780 HydrophobicContact CD2-CD1 4.29Å; L776-L780 HydrophobicContact CB-CD1 4.18Å; L776-L780 HydrophobicContact CB-CG 4.33Å; L776-L780 WeakPolarHBondContact O-CG 3.36Å; L776-L780 PolarHBondContact O-N 3.35Å; L780-R782 VanDerWaalsContact C-N 3.32Å; L780-R782 PolarHBondContact O-N 2.58Å; L780-A783 PolarHBondContact O-N 3.11Å; L780-I784 VanDerWaalsContact O-CG1 3.31Å; L780-I784 WeakPolarHBondContact O-CG1 3.33Å; L780-I784 PolarHBondContact O-N 3.41Å
781	N	84.9	Confident	82.8	Confident	68 Å²	68	80.4 Å²	80.4	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-62.1	-40	176.7	-79.9	-43.5	0	0	0	112.3	R777 F779 R785	R777-N781 WeakPolarHBondContact CG-ND2 3.47Å; R777-N781 WeakPolarHBondContact O-CB 3.41Å; R777-N781 PolarHBondContact O-N 2.72Å; R777-N781 VanDerWaalsContact O-N 3.13Å; R777-N781 PolarHBondContact O-ND2 3.27Å; F779-N781 VanDerWaalsContact C-N 3.35Å; F779-N781 PolarHBondContact O-N 3.08Å; N781-R785 WeakPolarHBondContact O-CB 3.47Å; N781-R785 WeakPolarHBondContact O-CG 3.38Å; N781-R785 PolarHBondContact O-N 3.3Å
782	R	83.2	Confident	83.4	Confident	99 Å²	99	86.7 Å²	86.7	37%	0.374	45%	0.445	S	S	.	.	H	α-helix	trans	-70	-45.6	178.2	-71.6	-173.5	-135.9	146.1	8.2	111.3	N752 P778 F779 L780 I784 R785 A786	N752-R782 PolarHBondContact O-NH1 3.18Å; N752-R782 PolarHBondContact O-NH2 2.99Å; P778-R782 WeakPolarHBondContact O-CG 3.43Å; P778-R782 PolarHBondContact O-N 3.12Å; F779-R782 PolarHBondContact O-N 3.41Å; F779-R782 VanDerWaalsContact O-N 3.12Å; L780-R782 VanDerWaalsContact C-N 3.32Å; L780-R782 PolarHBondContact O-N 2.58Å; R782-I784 PolarHBondContact O-N 3.11Å; R782-R785 PolarHBondContact O-N 3.22Å; R782-A786 WeakPolarHBondContact O-CB 3.35Å; R782-A786 PolarHBondContact O-N 3.43Å
783	A	82.7	Confident	83.9	Confident	21 Å²	21	86.9 Å²	86.9	17%	0.174	44%	0.444	C	S	.	.	H	α-helix	trans	-56.8	-48.2	178.1	0	0	0	0	0	112.7	A760 F779 L780 A786 S787	A760-A783 HydrophobicContact CB-CB 3.7Å; F779-A783 PolarHBondContact O-N 3.27Å; L780-A783 PolarHBondContact O-N 3.11Å; A783-A786 PolarHBondContact O-N 2.89Å; A783-S787 PolarHBondContact O-N 3.09Å
784	I	82.7	Confident	84.5	Confident	111 Å²	111	84.4 Å²	84.4	57%	0.569	44%	0.438	S	S	*	.	H	α-helix	trans	-64.4	-44.5	179.7	-65.9	167.7	0	0	0	110.9	L780 R782 A786 S787 M788	L780-I784 VanDerWaalsContact O-CG1 3.31Å; L780-I784 WeakPolarHBondContact O-CG1 3.33Å; L780-I784 PolarHBondContact O-N 3.41Å; R782-I784 PolarHBondContact O-N 3.11Å; I784-A786 PolarHBondContact O-N 3.04Å; I784-S787 PolarHBondContact O-N 2.92Å; I784-M788 WeakPolarHBondContact O-CG 3.31Å; I784-M788 PolarHBondContact O-N 2.94Å
785	R	85.3	Confident	85.2	Confident	182 Å²	182	83.2 Å²	83.2	69%	0.687	43%	0.432	S	S	*	.	H	α-helix	trans	-63.1	-41.9	178	-74.5	176.4	-173.3	-177.6	2.4	112	N781 R782 M788 H789	N781-R785 WeakPolarHBondContact O-CB 3.47Å; N781-R785 WeakPolarHBondContact O-CG 3.38Å; N781-R785 PolarHBondContact O-N 3.3Å; R782-R785 PolarHBondContact O-N 3.22Å; R785-M788 PolarHBondContact O-N 3.41Å; R785-H789 WeakPolarHBondContact O-CB 3.34Å; R785-H789 PolarHBondContact O-N 3.36Å
786	A	82.5	Confident	85.8	Confident	58 Å²	58	84.1 Å²	84.1	48%	0.479	44%	0.436	S	S	.	.	H	α-helix	trans	-61.5	-45.7	177.9	0	0	0	0	0	111.2	R782 A783 I784 M788 H789 A790	R782-A786 WeakPolarHBondContact O-CB 3.35Å; R782-A786 PolarHBondContact O-N 3.43Å; A783-A786 PolarHBondContact O-N 2.89Å; I784-A786 PolarHBondContact O-N 3.04Å; A786-M788 PolarHBondContact O-N 3.43Å; A786-H789 PolarHBondContact O-N 3.44Å; A786-A790 WeakPolarHBondContact O-CB 3.47Å; A786-A790 PolarHBondContact O-N 3.46Å
787	S	82.7	Confident	86.4	Confident	87 Å²	87	86.5 Å²	86.5	61%	0.608	46%	0.457	S	S	*	.	H	α-helix	trans	-59.6	-44.8	175.4	-172.8	0	0	0	0	112.2	A783 I784 G791	A783-S787 PolarHBondContact O-N 3.09Å; I784-S787 PolarHBondContact O-N 2.92Å; S787-G791 PolarHBondContact O-N 2.84Å
788	M	86.2	Confident	86.9	Confident	103 Å²	103	81.9 Å²	81.9	51%	0.507	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-39.6	178	-73.1	-64.3	-65.9	0	0	112.3	I784 R785 A786 R792	I784-M788 WeakPolarHBondContact O-CG 3.31Å; I784-M788 PolarHBondContact O-N 2.94Å; R785-M788 PolarHBondContact O-N 3.41Å; A786-M788 PolarHBondContact O-N 3.43Å; M788-R792 WeakPolarHBondContact O-CG 3.24Å; M788-R792 PolarHBondContact O-N 2.85Å; M788-R792 VanDerWaalsContact O-N 3.13Å
789	H	87	Confident	87.3	Confident	125 Å²	125	81.4 Å²	81.4	58%	0.579	45%	0.449	S	S	*	.	H	α-helix	trans	-65.1	-48.9	177.6	-177.6	72	0	0	0	111.4	R785 A786 G791 R792 T793	R785-H789 WeakPolarHBondContact O-CB 3.34Å; R785-H789 PolarHBondContact O-N 3.36Å; A786-H789 PolarHBondContact O-N 3.44Å; H789-G791 VanDerWaalsContact C-N 3.26Å; H789-G791 PolarHBondContact O-N 2.95Å; H789-R792 PolarHBondContact O-N 2.99Å; H789-R792 VanDerWaalsContact O-N 3.09Å; H789-T793 PolarHBondContact CE1-OG1 3.05Å; H789-T793 PolarHBondContact NE2-OG1 3.37Å; H789-T793 PolarHBondContact O-N 3.2Å; H789-T793 PolarHBondContact O-OG1 2.91Å; H789-T793 VanDerWaalsContact O-OG1 3.04Å
790	A	83.5	Confident	87.7	Confident	55 Å²	55	87 Å²	87	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-56	-41.1	177.3	0	0	0	0	0	112.2	A786 S794	A786-A790 WeakPolarHBondContact O-CB 3.47Å; A786-A790 PolarHBondContact O-N 3.46Å; A790-S794 WeakPolarHBondContact O-CB 3.27Å; A790-S794 PolarHBondContact O-N 3.19Å; A790-S794 VanDerWaalsContact O-N 3.11Å; A790-S794 PolarHBondContact O-OG 2.85Å
791	G	87.8	Confident	87.9	Confident	40 Å²	40	87.8 Å²	87.8	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-47.9	174.2	0	0	0	0	0	113.1	S787 H789 Q795	S787-G791 PolarHBondContact O-N 2.84Å; H789-G791 VanDerWaalsContact C-N 3.26Å; H789-G791 PolarHBondContact O-N 2.95Å; G791-Q795 WeakPolarHBondContact O-CG 3.49Å; G791-Q795 PolarHBondContact O-N 3.17Å
792	R	91.1	Very high	88.4	Confident	167 Å²	167	92.6 Å²	92.6	63%	0.63	50%	0.503	S	S	*	.	H	α-helix	trans	-66.4	-44	179.4	-70.3	175.4	-176.3	175.7	1.2	112.6	M788 H789 S794 Q795 I796	M788-R792 WeakPolarHBondContact O-CG 3.24Å; M788-R792 PolarHBondContact O-N 2.85Å; M788-R792 VanDerWaalsContact O-N 3.13Å; H789-R792 PolarHBondContact O-N 2.99Å; H789-R792 VanDerWaalsContact O-N 3.09Å; R792-S794 VanDerWaalsContact C-N 3.3Å; R792-S794 PolarHBondContact O-N 3.35Å; R792-Q795 WeakPolarHBondContact O-CB 3.32Å; R792-Q795 PolarHBondContact O-N 3.13Å; R792-Q795 VanDerWaalsContact O-N 3.12Å; R792-I796 PolarHBondContact O-N 3.41Å; R792-I796 VanDerWaalsContact O-N 3.11Å
793	T	90.4	Very high	88.8	Confident	63 Å²	63	90.6 Å²	90.6	39%	0.387	51%	0.505	S	S	.	.	H	α-helix	trans	-62.3	-39.4	179.6	-55.4	0	0	0	0	111.3	H789 Q795 I796 A797	H789-T793 PolarHBondContact CE1-OG1 3.05Å; H789-T793 PolarHBondContact NE2-OG1 3.37Å; H789-T793 PolarHBondContact O-N 3.2Å; H789-T793 PolarHBondContact O-OG1 2.91Å; H789-T793 VanDerWaalsContact O-OG1 3.04Å; T793-Q795 VanDerWaalsContact C-N 3.31Å; T793-Q795 PolarHBondContact O-N 3.46Å; T793-I796 PolarHBondContact O-N 3.38Å; T793-A797 PolarHBondContact O-N 2.99Å
794	S	89.6	Confident	89.1	Confident	77 Å²	77	95.2 Å²	95.2	54%	0.538	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-37.3	174.6	-58.2	0	0	0	0	112.5	A790 R792 A797 L798	A790-S794 WeakPolarHBondContact O-CB 3.27Å; A790-S794 PolarHBondContact O-N 3.19Å; A790-S794 VanDerWaalsContact O-N 3.11Å; A790-S794 PolarHBondContact O-OG 2.85Å; R792-S794 VanDerWaalsContact C-N 3.3Å; R792-S794 PolarHBondContact O-N 3.35Å; S794-A797 PolarHBondContact O-N 3.49Å; S794-L798 PolarHBondContact O-N 2.92Å
795	Q	93.4	Very high	89.6	Confident	135 Å²	135	94.6 Å²	94.6	63%	0.631	52%	0.521	S	S	*	.	H	α-helix	trans	-66.4	-38.6	175.2	-69	-64.4	-36.5	0	0	112.4	G791 R792 T793 L798 G799	G791-Q795 WeakPolarHBondContact O-CG 3.49Å; G791-Q795 PolarHBondContact O-N 3.17Å; R792-Q795 WeakPolarHBondContact O-CB 3.32Å; R792-Q795 PolarHBondContact O-N 3.13Å; R792-Q795 VanDerWaalsContact O-N 3.12Å; T793-Q795 VanDerWaalsContact C-N 3.31Å; T793-Q795 PolarHBondContact O-N 3.46Å; Q795-L798 PolarHBondContact O-N 3.05Å; Q795-G799 PolarHBondContact O-N 3.2Å
796	I	93.9	Very high	90	Very high	109 Å²	109	90.6 Å²	90.6	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-65.2	-47.1	175.8	-64.3	169.3	0	0	0	110.5	R792 T793 L798 G799 L800	R792-I796 PolarHBondContact O-N 3.41Å; R792-I796 VanDerWaalsContact O-N 3.11Å; T793-I796 PolarHBondContact O-N 3.38Å; I796-L798 VanDerWaalsContact C-N 3.28Å; I796-L798 PolarHBondContact O-N 2.95Å; I796-G799 WeakPolarHBondContact O-CA 3.49Å; I796-G799 PolarHBondContact O-N 3.09Å; I796-L800 HydrophobicContact CG2-CD1 4.16Å; I796-L800 HydrophobicContact CG2-CG 4.42Å; I796-L800 PolarHBondContact O-N 3.13Å
797	A	90.9	Very high	90.3	Very high	57 Å²	57	93.4 Å²	93.4	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-57.1	-42.6	177.5	0	0	0	0	0	111.8	T793 S794 G799 L800 A801	T793-A797 PolarHBondContact O-N 2.99Å; S794-A797 PolarHBondContact O-N 3.49Å; A797-G799 VanDerWaalsContact C-N 3.33Å; A797-G799 PolarHBondContact O-N 3.21Å; A797-L800 PolarHBondContact O-N 3.28Å; A797-A801 WeakPolarHBondContact O-CB 3.42Å; A797-A801 PolarHBondContact O-N 2.86Å
798	L	93.9	Very high	90.6	Very high	75 Å²	75	94.2 Å²	94.2	39%	0.393	52%	0.516	S	S	.	.	H	α-helix	trans	-60.6	-41.4	173.8	-179.5	64	0	0	0	112.2	S794 Q795 I796 R802	S794-L798 PolarHBondContact O-N 2.92Å; Q795-L798 PolarHBondContact O-N 3.05Å; I796-L798 VanDerWaalsContact C-N 3.28Å; I796-L798 PolarHBondContact O-N 2.95Å; L798-R802 VanDerWaalsContact O-CG 3.3Å; L798-R802 WeakPolarHBondContact O-CG 3.48Å; L798-R802 PolarHBondContact O-N 3.44Å; L798-R802 VanDerWaalsContact O-N 3.13Å
799	G	93.6	Very high	90.8	Very high	40 Å²	40	92.7 Å²	92.7	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-44.3	176.4	0	0	0	0	0	113.2	Q795 I796 A797 R802 S803	Q795-G799 PolarHBondContact O-N 3.2Å; I796-G799 WeakPolarHBondContact O-CA 3.49Å; I796-G799 PolarHBondContact O-N 3.09Å; A797-G799 VanDerWaalsContact C-N 3.33Å; A797-G799 PolarHBondContact O-N 3.21Å; G799-R802 WeakPolarHBondContact O-CB 3.35Å; G799-R802 PolarHBondContact O-N 3.31Å; G799-S803 PolarHBondContact O-N 3.05Å; G799-S803 VanDerWaalsContact O-N 3.1Å
800	L	93.4	Very high	90.9	Very high	117 Å²	117	92.3 Å²	92.3	61%	0.613	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-46.3	178	-69.3	173.6	0	0	0	111.9	I796 A797 R802 S803 E804	I796-L800 HydrophobicContact CG2-CD1 4.16Å; I796-L800 HydrophobicContact CG2-CG 4.42Å; I796-L800 PolarHBondContact O-N 3.13Å; A797-L800 PolarHBondContact O-N 3.28Å; L800-R802 VanDerWaalsContact C-N 3.25Å; L800-R802 PolarHBondContact O-N 3.03Å; L800-S803 WeakPolarHBondContact O-CB 3.43Å; L800-S803 PolarHBondContact O-N 3.2Å; L800-E804 PolarHBondContact O-N 3.38Å
801	A	88.2	Confident	90.9	Very high	55 Å²	55	93.7 Å²	93.7	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-36.9	177.1	0	0	0	0	0	112.1	A797 N805	A797-A801 WeakPolarHBondContact O-CB 3.42Å; A797-A801 PolarHBondContact O-N 2.86Å; A801-N805 WeakPolarHBondContact O-CB 3.2Å; A801-N805 PolarHBondContact O-N 3.3Å; A801-N805 VanDerWaalsContact O-N 3.11Å
802	R	93.6	Very high	90.7	Very high	168 Å²	168	98.2 Å²	98.2	63%	0.634	51%	0.512	S	S	*	.	H	α-helix	trans	-63.2	-43.2	172.7	-75.6	173.1	176.1	-177.2	-0.2	111.9	L798 G799 L800 N805 V806	L798-R802 VanDerWaalsContact O-CG 3.3Å; L798-R802 WeakPolarHBondContact O-CG 3.48Å; L798-R802 PolarHBondContact O-N 3.44Å; L798-R802 VanDerWaalsContact O-N 3.13Å; G799-R802 WeakPolarHBondContact O-CB 3.35Å; G799-R802 PolarHBondContact O-N 3.31Å; L800-R802 VanDerWaalsContact C-N 3.25Å; L800-R802 PolarHBondContact O-N 3.03Å; R802-N805 PolarHBondContact O-N 3.43Å; R802-V806 WeakPolarHBondContact O-CG2 3.35Å; R802-V806 PolarHBondContact O-N 3.39Å
803	S	92.3	Very high	90.4	Very high	58 Å²	58	95.3 Å²	95.3	41%	0.406	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-46.6	177.5	179.3	0	0	0	0	112.1	G799 L800 N805 V806 Q807	G799-S803 PolarHBondContact O-N 3.05Å; G799-S803 VanDerWaalsContact O-N 3.1Å; L800-S803 WeakPolarHBondContact O-CB 3.43Å; L800-S803 PolarHBondContact O-N 3.2Å; S803-N805 VanDerWaalsContact C-N 3.31Å; S803-N805 PolarHBondContact O-N 3.19Å; S803-V806 WeakPolarHBondContact O-CB 3.43Å; S803-V806 PolarHBondContact O-N 2.9Å; S803-V806 VanDerWaalsContact O-N 3.12Å; S803-Q807 PolarHBondContact O-N 3.12Å
804	E	89.8	Confident	90	Very high	117 Å²	117	98.6 Å²	98.6	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-60.1	-42.1	179.2	-171.8	176.3	-171.3	0	0	111.5	L800 V806 Q807 L808	L800-E804 PolarHBondContact O-N 3.38Å; E804-V806 VanDerWaalsContact C-N 3.29Å; E804-V806 PolarHBondContact O-N 2.88Å; E804-Q807 PolarHBondContact O-N 3Å; E804-Q807 VanDerWaalsContact O-N 3.16Å; E804-L808 HydrophobicContact CG-CD1 4.37Å; E804-L808 WeakPolarHBondContact O-CG 3.45Å; E804-L808 PolarHBondContact O-N 2.95Å
805	N	91.7	Very high	89.4	Confident	99 Å²	99	100.1 Å²	100.1	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-59.2	-40.8	175.3	-169.2	6.5	0	0	0	112.1	A801 R802 S803 L808 L809	A801-N805 WeakPolarHBondContact O-CB 3.2Å; A801-N805 PolarHBondContact O-N 3.3Å; A801-N805 VanDerWaalsContact O-N 3.11Å; R802-N805 PolarHBondContact O-N 3.43Å; S803-N805 VanDerWaalsContact C-N 3.31Å; S803-N805 PolarHBondContact O-N 3.19Å; N805-L808 PolarHBondContact O-N 3.29Å; N805-L809 VanDerWaalsContact O-CG 3.3Å; N805-L809 WeakPolarHBondContact O-CG 3.43Å; N805-L809 PolarHBondContact O-N 3.47Å
806	V	93.8	Very high	88.5	Confident	98 Å²	98	102.7 Å²	102.7	59%	0.594	52%	0.52	S	S	*	.	H	α-helix	trans	-65.2	-40.9	176.5	174.5	0	0	0	0	111.7	R802 S803 E804 L809 H810	R802-V806 WeakPolarHBondContact O-CG2 3.35Å; R802-V806 PolarHBondContact O-N 3.39Å; S803-V806 WeakPolarHBondContact O-CB 3.43Å; S803-V806 PolarHBondContact O-N 2.9Å; S803-V806 VanDerWaalsContact O-N 3.12Å; E804-V806 VanDerWaalsContact C-N 3.29Å; E804-V806 PolarHBondContact O-N 2.88Å; V806-L809 PolarHBondContact O-N 3.13Å; V806-H810 PolarHBondContact O-N 2.89Å
807	Q	90.3	Very high	87.6	Confident	116 Å²	116	108.3 Å²	108.3	54%	0.542	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-46.8	176.4	-69.7	174.6	-7	0	0	111.6	S803 E804 L809 H810 D811	S803-Q807 PolarHBondContact O-N 3.12Å; E804-Q807 PolarHBondContact O-N 3Å; E804-Q807 VanDerWaalsContact O-N 3.16Å; Q807-L809 VanDerWaalsContact C-N 3.28Å; Q807-L809 PolarHBondContact O-N 3.11Å; Q807-H810 WeakPolarHBondContact O-CA 3.4Å; Q807-H810 WeakPolarHBondContact O-CB 3.37Å; Q807-H810 PolarHBondContact O-N 2.72Å; Q807-D811 PolarHBondContact O-N 3.46Å
808	L	88.5	Confident	86.9	Confident	105 Å²	105	111.1 Å²	111.1	55%	0.55	54%	0.536	S	S	.	.	H	α-helix	trans	-61.2	-37.4	176.9	-69.5	172.6	0	0	0	112.2	E804 N805 H810 D811 R812	E804-L808 HydrophobicContact CG-CD1 4.37Å; E804-L808 WeakPolarHBondContact O-CG 3.45Å; E804-L808 PolarHBondContact O-N 2.95Å; N805-L808 PolarHBondContact O-N 3.29Å; L808-H810 VanDerWaalsContact C-N 3.34Å; L808-D811 PolarHBondContact O-N 3.3Å; L808-R812 WeakPolarHBondContact O-CB 3.19Å; L808-R812 PolarHBondContact O-N 3Å
809	L	89.3	Confident	85.9	Confident	71 Å²	71	113.2 Å²	113.2	37%	0.372	55%	0.554	S	S	.	*	H	α-helix	trans	-63.1	-40	173.5	-75.2	170.4	0	0	0	112	N805 V806 Q807 L813	N805-L809 VanDerWaalsContact O-CG 3.3Å; N805-L809 WeakPolarHBondContact O-CG 3.43Å; N805-L809 PolarHBondContact O-N 3.47Å; V806-L809 PolarHBondContact O-N 3.13Å; Q807-L809 VanDerWaalsContact C-N 3.28Å; Q807-L809 PolarHBondContact O-N 3.11Å; L809-L813 WeakPolarHBondContact O-CG 3.19Å; L809-L813 PolarHBondContact O-N 3.13Å
810	H	89.3	Confident	84.9	Confident	117 Å²	117	115 Å²	115	54%	0.542	55%	0.553	S	S	.	*	H	α-helix	trans	-63.7	-49.2	174.9	177.2	83.8	0	0	0	111.9	V806 Q807 L808 R812 L813 K814	V806-H810 PolarHBondContact O-N 2.89Å; Q807-H810 WeakPolarHBondContact O-CA 3.4Å; Q807-H810 WeakPolarHBondContact O-CB 3.37Å; Q807-H810 PolarHBondContact O-N 2.72Å; L808-H810 VanDerWaalsContact C-N 3.34Å; H810-R812 VanDerWaalsContact C-N 3.3Å; H810-R812 PolarHBondContact O-N 3.41Å; H810-L813 WeakPolarHBondContact O-CB 3.4Å; H810-L813 PolarHBondContact O-N 3.43Å; H810-K814 PolarHBondContact O-N 2.85Å
811	D	85.1	Confident	83.9	Confident	83 Å²	83	115 Å²	115	44%	0.444	56%	0.558	S	S	.	*	H	α-helix	trans	-61.3	-40.4	179.9	-71.4	-23.7	0	0	0	111.7	Q807 L808 L813 K814 E815	Q807-D811 PolarHBondContact O-N 3.46Å; L808-D811 PolarHBondContact O-N 3.3Å; D811-L813 VanDerWaalsContact C-N 3.27Å; D811-L813 PolarHBondContact O-N 3.47Å; D811-K814 WeakPolarHBondContact O-CB 3.26Å; D811-K814 PolarHBondContact O-N 2.8Å; D811-K814 VanDerWaalsContact O-N 3.12Å; D811-E815 PolarHBondContact O-N 2.85Å
812	R	82.9	Confident	83.1	Confident	135 Å²	135	115.1 Å²	115.1	51%	0.509	55%	0.553	S	S	.	*	H	α-helix	trans	-57.5	-39.6	173.7	-171.9	-174.6	72	175.3	1	112.3	L808 H810 R816	L808-R812 WeakPolarHBondContact O-CB 3.19Å; L808-R812 PolarHBondContact O-N 3Å; H810-R812 VanDerWaalsContact C-N 3.3Å; H810-R812 PolarHBondContact O-N 3.41Å; R812-R816 WeakPolarHBondContact O-CG 3.31Å; R812-R816 PolarHBondContact O-N 3.41Å
813	L	84.5	Confident	81.9	Confident	106 Å²	106	109.7 Å²	109.7	56%	0.555	54%	0.541	S	S	*	.	H	α-helix	trans	-69.4	-39.5	176.9	-72.1	168.3	0	0	0	111.6	L809 H810 D811 R816 R817	L809-L813 WeakPolarHBondContact O-CG 3.19Å; L809-L813 PolarHBondContact O-N 3.13Å; H810-L813 WeakPolarHBondContact O-CB 3.4Å; H810-L813 PolarHBondContact O-N 3.43Å; D811-L813 VanDerWaalsContact C-N 3.27Å; D811-L813 PolarHBondContact O-N 3.47Å; L813-R816 PolarHBondContact O-N 3.47Å; L813-R817 PolarHBondContact O-N 3.21Å
814	K	82	Confident	80.7	Confident	132 Å²	132	114.5 Å²	114.5	57%	0.574	56%	0.557	S	S	*	*	H	α-helix	trans	-61.9	-44.4	177.2	-170.2	179.3	-179.6	-178.4	0	111.9	H810 D811 R817	H810-K814 PolarHBondContact O-N 2.85Å; D811-K814 WeakPolarHBondContact O-CB 3.26Å; D811-K814 PolarHBondContact O-N 2.8Å; D811-K814 VanDerWaalsContact O-N 3.12Å; K814-R817 PolarHBondContact O-N 3.49Å
815	E	77	Confident	79.6	Confident	109 Å²	109	118.3 Å²	118.3	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-65.4	-39.2	176.4	-69.8	-55.4	132.9	0	0	112.5	D811 R817 K818	D811-E815 PolarHBondContact O-N 2.85Å; E815-R817 PolarHBondContact O-N 3.21Å; E815-K818 PolarHBondContact O-N 3.05Å; E815-K818 WeakPolarHBondContact OE1-CE 3.24Å; E815-K818 IonicContact OE1-NZ 3.96Å; E815-K818 PolarHBondContact OE1-NZ 2.74Å; E815-K818 WeakPolarHBondContact OE2-CE 3.3Å; E815-K818 IonicContact OE2-NZ 2.8Å; E815-K818 PolarHBondContact OE2-NZ 3.16Å
816	R	74.4	Confident	78.4	Confident	190 Å²	190	119.9 Å²	119.9	72%	0.717	57%	0.574	S	S	*	*	H	α-helix	trans	-62	-23.8	176.4	-82.4	-174.2	176	-170.1	-1.3	114.3	R812 L813	R812-R816 WeakPolarHBondContact O-CG 3.31Å; R812-R816 PolarHBondContact O-N 3.41Å; L813-R816 PolarHBondContact O-N 3.47Å
817	R	76.1	Confident	77.4	Confident	226 Å²	226	116.8 Å²	116.8	85%	0.853	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-13.9	-176.8	-168.1	175.9	175.7	-167.3	-1.1	113.3	L813 K814 E815	L813-R817 PolarHBondContact O-N 3.21Å; K814-R817 PolarHBondContact O-N 3.49Å; E815-R817 PolarHBondContact O-N 3.21Å
818	K	74.9	Confident	76.9	Confident	116 Å²	116	111.2 Å²	111.2	50%	0.504	54%	0.535	S	S	.	.			trans	-69	126	-176.9	-68	-179.2	-176.5	167.4	0	110.9	E815	E815-K818 PolarHBondContact O-N 3.05Å; E815-K818 WeakPolarHBondContact OE1-CE 3.24Å; E815-K818 IonicContact OE1-NZ 3.96Å; E815-K818 PolarHBondContact OE1-NZ 2.74Å; E815-K818 WeakPolarHBondContact OE2-CE 3.3Å; E815-K818 IonicContact OE2-NZ 2.8Å; E815-K818 PolarHBondContact OE2-NZ 3.16Å
819	P	74.3	Confident	76.3	Confident	119 Å²	119	112.1 Å²	112.1	77%	0.773	54%	0.537	S	S	*	.			trans	-71.3	144	175.2	29.7	-33.6	0	0	0	110.6
820	I	71.8	Confident	75.8	Confident	77 Å²	77	111.9 Å²	111.9	40%	0.395	54%	0.535	S	S	.	.			trans	-111.4	122	175.6	-60.8	164.4	0	0	0	107.8	C842 G846	I820-C842 HydrophobicContact CD1-CB 3.51Å; I820-C842 WeakPolarHBondContact CD1-SG 3.31Å; I820-G846 WeakPolarHBondContact CG2-O 3.35Å
821	V	72.9	Confident	75.1	Confident	119 Å²	119	108.3 Å²	108.3	72%	0.721	52%	0.523	S	S	*	.			trans	-93.9	120.8	-178.3	-176.3	0	0	0	0	109.7
822	V	70.5	Confident	74.8	Confident	56 Å²	56	111.1 Å²	111.1	34%	0.339	53%	0.533	S	S	.	.			trans	-103	130.8	175.4	-171.6	0	0	0	0	108.7	F835 V840 P848	V822-F835 HydrophobicContact CG1-CB 4.22Å; V822-F835 HydrophobicContact CG1-CD2 3.49Å; V822-F835 VanDerWaalsContact CG1-CD2 3.49Å; V822-F835 HydrophobicContact CG1-CE2 3.95Å; V822-F835 HydrophobicContact CG1-CG 3.86Å; V822-V840 HydrophobicContact CG1-CG2 4.39Å; V822-V840 HydrophobicContact CG2-CG1 4.24Å; V822-P848 HydrophobicContact CG2-CB 3.85Å; V822-P848 HydrophobicContact CG2-CG 4.35Å
823	S	69.4	Low	74.5	Confident	54 Å²	54	110 Å²	110	38%	0.378	54%	0.537	S	S	.	.			trans	-125	146.2	179.9	167.6	0	0	0	0	109	K825 K826	S823-K825 PolarHBondContact O-N 2.94Å; S823-K825 VanDerWaalsContact O-N 3.08Å; S823-K825 PolarHBondContact OG-N 3.43Å; S823-K826 PolarHBondContact O-N 3.43Å
824	E	66.5	Low	74.2	Confident	160 Å²	160	109 Å²	109	75%	0.748	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.4	177.5	-65	179.6	173.1	0	0	113.6	K826 T834	E824-K826 VanDerWaalsContact C-N 3.33Å; E824-T834 VanDerWaalsContact O-CG2 3.24Å; E824-T834 WeakPolarHBondContact O-CG2 3.37Å
825	K	65.5	Low	74	Confident	197 Å²	197	103.4 Å²	103.4	86%	0.857	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.1	176.8	-64.8	-173.6	179.5	-177.4	0	113.6	S823	S823-K825 PolarHBondContact O-N 2.94Å; S823-K825 VanDerWaalsContact O-N 3.08Å; S823-K825 PolarHBondContact OG-N 3.43Å
826	K	67	Low	73.6	Confident	132 Å²	132	103.4 Å²	103.4	57%	0.574	52%	0.523	S	S	*	.	S	Bend	trans	-95.4	116.6	179.9	-73.2	-173.2	176.5	-179.2	0	108.9	S823 E824 F835	S823-K826 PolarHBondContact O-N 3.43Å; E824-K826 VanDerWaalsContact C-N 3.33Å; K826-F835 WeakPolarHBondContact O-CD2 3.31Å; K826-F835 WeakPolarHBondContact O-CE2 3.21Å
827	G	74	Confident	73.4	Confident	32 Å²	32	100.3 Å²	100.3	33%	0.33	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-74.4	159.5	173.2	0	0	0	0	0	112.6	N833	G827-N833 CarbonylContact C-O 3.51Å; G827-N833 VanDerWaalsContact CA-O 3.27Å; G827-N833 WeakPolarHBondContact CA-O 3.47Å
828	C	78.4	Confident	73	Confident	0 Å²	0	96 Å²	96	0%	0	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-61.6	134.9	170.6	168.5	0	0	0	0	110.8	L830 C831 H832 N833 F835 H850	C828-L830 PolarHBondContact O-N 2.95Å; C828-L830 PolarHBondContact SG-N 3.1Å; C828-L830 VanDerWaalsContact SG-N 3.42Å; C828-C831 VanDerWaalsContact CB-SG 3.54Å; C828-H832 WeakPolarHBondContact O-CA 3.38Å; C828-H832 PolarHBondContact O-N 3.26Å; C828-N833 PolarHBondContact N-O 3.13Å; C828-F835 VanDerWaalsContact CA-CZ 3.48Å; C828-F835 HydrophobicContact CB-CE1 3.92Å; C828-F835 HydrophobicContact CB-CZ 3.76Å; C828-H850 VanDerWaalsContact CB-CE1 3.47Å; C828-H850 WeakPolarHBondContact CB-CE1 3.4Å; C828-H850 WeakPolarHBondContact CB-ND1 3.47Å; C828-H850 PolarHBondContact SG-N 3.14Å; C828-H850 VanDerWaalsContact SG-N 3.43Å
829	H	76.8	Confident	73	Confident	124 Å²	124	93.3 Å²	93.3	57%	0.574	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.8	-176.7	-146.4	-53.6	0	0	0	115	V847 V849	H829-V847 HydrophobicContact CB-CG1 3.46Å; H829-V847 VanDerWaalsContact CB-CG1 3.46Å; H829-V847 VanDerWaalsContact CD2-CG1 3.46Å; H829-V847 WeakPolarHBondContact CD2-CG1 3.42Å; H829-V849 HydrophobicContact CB-CG1 4.2Å
830	L	77.6	Confident	73	Confident	65 Å²	65	89.7 Å²	89.7	34%	0.34	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-43.4	-179.5	-67.1	174.2	0	0	0	112.9	C828 V849 C853 R857	C828-L830 PolarHBondContact O-N 2.95Å; C828-L830 PolarHBondContact SG-N 3.1Å; C828-L830 VanDerWaalsContact SG-N 3.42Å; L830-V849 HydrophobicContact CD1-CB 4.28Å; L830-V849 HydrophobicContact CD1-CG1 4.05Å; L830-V849 HydrophobicContact CG-CG1 4.01Å; L830-C853 HydrophobicContact CB-CB 3.91Å; L830-C853 HydrophobicContact CD1-CB 3.74Å; L830-C853 HydrophobicContact CG-CB 4.45Å; L830-R857 HydrophobicContact CD1-CB 4.31Å
831	C	76.4	Confident	73.4	Confident	42 Å²	42	88.8 Å²	88.8	28%	0.284	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-5.9	-179.2	67.4	0	0	0	0	113.5	C828 N833 H850 C853	C828-C831 VanDerWaalsContact CB-SG 3.54Å; C831-N833 PolarHBondContact O-N 3.36Å; C831-H850 PolarHBondContact SG-ND1 3.12Å; C831-C853 VanDerWaalsContact SG-SG 3.68Å
832	H	77.3	Confident	73.6	Confident	143 Å²	143	85.7 Å²	85.7	66%	0.662	47%	0.471	S	S	*	.			trans	60.1	-0.5	-176.8	-57.3	-69.6	0	0	0	116.1	C828	C828-H832 WeakPolarHBondContact O-CA 3.38Å; C828-H832 PolarHBondContact O-N 3.26Å
833	N	76.4	Confident	73.8	Confident	110 Å²	110	85.1 Å²	85.1	59%	0.588	47%	0.465	S	S	*	.			trans	-74.8	151.5	174.2	-66.9	-21.1	0	0	0	112	G827 C828 C831 H850	G827-N833 CarbonylContact C-O 3.51Å; G827-N833 VanDerWaalsContact CA-O 3.27Å; G827-N833 WeakPolarHBondContact CA-O 3.47Å; C828-N833 PolarHBondContact N-O 3.13Å; C831-N833 PolarHBondContact O-N 3.36Å; N833-H850 PolarHBondContact O-CE1 3.28Å
834	T	78.7	Confident	73.8	Confident	85 Å²	85	88.7 Å²	88.7	52%	0.521	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-68.2	156.8	178.2	52.7	0	0	0	0	112.2	E824 S836 H850	E824-T834 VanDerWaalsContact O-CG2 3.24Å; E824-T834 WeakPolarHBondContact O-CG2 3.37Å; T834-S836 PolarHBondContact O-N 3.18Å; T834-H850 PolarHBondContact O-CE1 3.11Å; T834-H850 PolarHBondContact O-NE2 2.85Å
835	F	77.5	Confident	73.9	Confident	16 Å²	16	84.9 Å²	84.9	7%	0.07	49%	0.491	C	S	.	.			trans	-83.3	101	175.8	-61.8	-79.3	0	0	0	109.9	V822 K826 C828 V840 P848 H850	V822-F835 HydrophobicContact CG1-CB 4.22Å; V822-F835 HydrophobicContact CG1-CD2 3.49Å; V822-F835 VanDerWaalsContact CG1-CD2 3.49Å; V822-F835 HydrophobicContact CG1-CE2 3.95Å; V822-F835 HydrophobicContact CG1-CG 3.86Å; K826-F835 WeakPolarHBondContact O-CD2 3.31Å; K826-F835 WeakPolarHBondContact O-CE2 3.21Å; C828-F835 VanDerWaalsContact CA-CZ 3.48Å; C828-F835 HydrophobicContact CB-CE1 3.92Å; C828-F835 HydrophobicContact CB-CZ 3.76Å; F835-V840 HydrophobicContact CD1-CG1 4.23Å; F835-V840 HydrophobicContact CD1-CG2 3.72Å; F835-V840 HydrophobicContact CE1-CG1 3.78Å; F835-V840 HydrophobicContact CE1-CG2 4.14Å; F835-V840 HydrophobicContact CG-CG2 4.3Å; F835-V840 HydrophobicContact CZ-CG1 4.26Å; F835-P848 HydrophobicContact CE2-CB 4.15Å; F835-P848 HydrophobicContact CE2-CG 4.16Å; F835-P848 HydrophobicContact CZ-CB 3.79Å; F835-P848 HydrophobicContact CZ-CG 4.18Å; F835-P848 WeakPolarHBondContact CZ-O 3.4Å; F835-H850 AromaticContact CD1-CD2 3.43Å; F835-H850 VanDerWaalsContact CD1-CD2 3.43Å; F835-H850 WeakPolarHBondContact CD1-CD2 3.39Å; F835-H850 AromaticContact CD1-NE2 3.49Å; F835-H850 WeakPolarHBondContact CD1-NE2 3.43Å; F835-H850 AromaticContact CE1-CD2 3.83Å
836	S	69.5	Low	74.3	Confident	108 Å²	108	77 Å²	77	76%	0.755	47%	0.466	S	S	*	.			trans	-87.5	-22.5	173.9	53.4	0	0	0	0	113.2	T834	T834-S836 PolarHBondContact O-N 3.18Å
837	E	70.2	Confident	74.9	Confident	125 Å²	125	72.8 Å²	72.8	58%	0.584	45%	0.451	S	S	*	.	S	Bend	trans	-109.7	144.1	-179.3	-67.6	179.5	175.9	0	0	111.1	S839	E837-S839 PolarHBondContact O-N 3.25Å
838	P	66.6	Low	75.2	Confident	137 Å²	137	72.2 Å²	72.2	89%	0.89	44%	0.441	S	S	*	.	S	Bend	trans	-70.7	-11.3	-177.8	27.7	-34.3	0	0	0	114.2	V840	P838-V840 PolarHBondContact O-N 2.99Å
839	S	75.2	Confident	75.3	Confident	59 Å²	59	72.2 Å²	72.2	41%	0.413	44%	0.441	S	S	.	.			trans	-84.8	110.6	179.1	56.7	0	0	0	0	111.9	E837 V851	E837-S839 PolarHBondContact O-N 3.25Å; S839-V851 WeakPolarHBondContact O-CG2 3.36Å
840	V	74.7	Confident	75.6	Confident	42 Å²	42	67.9 Å²	67.9	26%	0.255	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.9	-177	-174.9	0	0	0	0	110.2	V822 F835 P838 P848 V849	V822-V840 HydrophobicContact CG1-CG2 4.39Å; V822-V840 HydrophobicContact CG2-CG1 4.24Å; F835-V840 HydrophobicContact CD1-CG1 4.23Å; F835-V840 HydrophobicContact CD1-CG2 3.72Å; F835-V840 HydrophobicContact CE1-CG1 3.78Å; F835-V840 HydrophobicContact CE1-CG2 4.14Å; F835-V840 HydrophobicContact CG-CG2 4.3Å; F835-V840 HydrophobicContact CZ-CG1 4.26Å; P838-V840 PolarHBondContact O-N 2.99Å; V840-P848 HydrophobicContact CG1-CB 3.5Å; V840-V849 WeakPolarHBondContact CG1-O 3.42Å
841	V	80.9	Confident	75.8	Confident	58 Å²	58	68 Å²	68	35%	0.352	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.9	173.1	178	0	0	0	0	108.6	V849 V851 A854	V841-V849 HydrophobicContact CB-CG2 4.22Å; V841-V849 PolarHBondContact N-O 2.88Å; V841-V849 VanDerWaalsContact O-CG2 3.26Å; V841-V849 WeakPolarHBondContact O-CG2 3.39Å; V841-V849 PolarHBondContact O-N 2.85Å; V841-V851 HydrophobicContact CG2-CB 4.28Å; V841-V851 HydrophobicContact CG2-CG1 4.42Å; V841-V851 HydrophobicContact CG2-CG2 3.89Å; V841-A854 HydrophobicContact CB-CB 4.2Å; V841-A854 HydrophobicContact CG1-CB 4.25Å; V841-A854 HydrophobicContact CG2-CB 4.45Å
842	C	75.9	Confident	76	Confident	55 Å²	55	71.8 Å²	71.8	37%	0.372	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.9	175.1	-68.4	0	0	0	0	110.9	I820 V847	I820-C842 HydrophobicContact CD1-CB 3.51Å; I820-C842 WeakPolarHBondContact CD1-SG 3.31Å; C842-V847 WeakPolarHBondContact CA-O 3.49Å
843	L	75.8	Confident	76	Confident	44 Å²	44	65.8 Å²	65.8	23%	0.23	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	160.4	171.7	-67.4	177	0	0	0	110.8	G845 G846 V847 V849	L843-G845 PolarHBondContact O-N 3.47Å; L843-G846 PolarHBondContact O-N 3.28Å; L843-V847 PolarHBondContact N-O 2.98Å; L843-V847 PolarHBondContact O-N 3.32Å; L843-V849 HydrophobicContact CD1-CG1 3.81Å; L843-V849 HydrophobicContact CD1-CG2 4.22Å; L843-V849 HydrophobicContact CD2-CG2 4.45Å; L843-V849 HydrophobicContact CG-CG1 4.24Å; L843-V849 HydrophobicContact CG-CG2 3.89Å
844	P	68.2	Low	76.1	Confident	129 Å²	129	61.2 Å²	61.2	84%	0.838	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	129.4	171.6	-25.7	34.3	0	0	0	110.8
845	G	70.2	Confident	76.1	Confident	80 Å²	80	59 Å²	59	83%	0.825	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	3.1	-170.9	0	0	0	0	0	114.9	L843	L843-G845 PolarHBondContact O-N 3.47Å
846	G	72.8	Confident	75.9	Confident	32 Å²	32	62.8 Å²	62.8	33%	0.33	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	24.5	173.4	0	0	0	0	0	114.1	I820 L843 P848	I820-G846 WeakPolarHBondContact CG2-O 3.35Å; L843-G846 PolarHBondContact O-N 3.28Å; G846-P848 WeakPolarHBondContact O-CD 3.47Å
847	V	79.1	Confident	75.9	Confident	42 Å²	42	64.3 Å²	64.3	26%	0.255	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.3	-176.2	178.2	0	0	0	0	110	H829 C842 L843	H829-V847 HydrophobicContact CB-CG1 3.46Å; H829-V847 VanDerWaalsContact CB-CG1 3.46Å; H829-V847 VanDerWaalsContact CD2-CG1 3.46Å; H829-V847 WeakPolarHBondContact CD2-CG1 3.42Å; C842-V847 WeakPolarHBondContact CA-O 3.49Å; L843-V847 PolarHBondContact N-O 2.98Å; L843-V847 PolarHBondContact O-N 3.32Å
848	P	80.5	Confident	75.7	Confident	20 Å²	20	62.9 Å²	62.9	13%	0.13	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137	177.2	29.1	-32.8	0	0	0	111.2	V822 F835 V840 G846	V822-P848 HydrophobicContact CG2-CB 3.85Å; V822-P848 HydrophobicContact CG2-CG 4.35Å; F835-P848 HydrophobicContact CE2-CB 4.15Å; F835-P848 HydrophobicContact CE2-CG 4.16Å; F835-P848 HydrophobicContact CZ-CB 3.79Å; F835-P848 HydrophobicContact CZ-CG 4.18Å; F835-P848 WeakPolarHBondContact CZ-O 3.4Å; V840-P848 HydrophobicContact CG1-CB 3.5Å; G846-P848 WeakPolarHBondContact O-CD 3.47Å
849	V	81.7	Confident	75.5	Confident	0 Å²	0	65 Å²	65	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.2	173.8	-65.8	0	0	0	0	110.2	H829 L830 V840 V841 L843 A854	H829-V849 HydrophobicContact CB-CG1 4.2Å; L830-V849 HydrophobicContact CD1-CB 4.28Å; L830-V849 HydrophobicContact CD1-CG1 4.05Å; L830-V849 HydrophobicContact CG-CG1 4.01Å; V840-V849 WeakPolarHBondContact CG1-O 3.42Å; V841-V849 HydrophobicContact CB-CG2 4.22Å; V841-V849 PolarHBondContact N-O 2.88Å; V841-V849 VanDerWaalsContact O-CG2 3.26Å; V841-V849 WeakPolarHBondContact O-CG2 3.39Å; V841-V849 PolarHBondContact O-N 2.85Å; L843-V849 HydrophobicContact CD1-CG1 3.81Å; L843-V849 HydrophobicContact CD1-CG2 4.22Å; L843-V849 HydrophobicContact CD2-CG2 4.45Å; L843-V849 HydrophobicContact CG-CG1 4.24Å; L843-V849 HydrophobicContact CG-CG2 3.89Å; V849-A854 HydrophobicContact CG2-CB 3.91Å
850	H	82.3	Confident	74.8	Confident	33 Å²	33	68.1 Å²	68.1	15%	0.153	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	145.1	175	-62.6	112.4	0	0	0	109.6	C828 C831 N833 T834 F835 H852 C853 A854	C828-H850 VanDerWaalsContact CB-CE1 3.47Å; C828-H850 WeakPolarHBondContact CB-CE1 3.4Å; C828-H850 WeakPolarHBondContact CB-ND1 3.47Å; C828-H850 PolarHBondContact SG-N 3.14Å; C828-H850 VanDerWaalsContact SG-N 3.43Å; C831-H850 PolarHBondContact SG-ND1 3.12Å; N833-H850 PolarHBondContact O-CE1 3.28Å; T834-H850 PolarHBondContact O-CE1 3.11Å; T834-H850 PolarHBondContact O-NE2 2.85Å; F835-H850 AromaticContact CD1-CD2 3.43Å; F835-H850 VanDerWaalsContact CD1-CD2 3.43Å; F835-H850 WeakPolarHBondContact CD1-CD2 3.39Å; F835-H850 AromaticContact CD1-NE2 3.49Å; F835-H850 WeakPolarHBondContact CD1-NE2 3.43Å; F835-H850 AromaticContact CE1-CD2 3.83Å; H850-H852 PolarHBondContact O-N 3.37Å; H850-C853 HydrophobicContact CB-CB 4.34Å; H850-C853 PolarHBondContact O-N 2.89Å; H850-C853 VanDerWaalsContact O-N 3.11Å; H850-A854 PolarHBondContact O-N 3.47Å
851	V	82.2	Confident	73.9	Confident	67 Å²	67	67.9 Å²	67.9	41%	0.406	39%	0.388	S	S	.	.	H	α-helix	trans	-53.6	-40.8	177.1	-179.6	0	0	0	0	110.6	S839 V841 A854 A855	S839-V851 WeakPolarHBondContact O-CG2 3.36Å; V841-V851 HydrophobicContact CG2-CB 4.28Å; V841-V851 HydrophobicContact CG2-CG1 4.42Å; V841-V851 HydrophobicContact CG2-CG2 3.89Å; V851-A854 PolarHBondContact O-N 2.89Å; V851-A855 WeakPolarHBondContact O-CB 3.35Å; V851-A855 PolarHBondContact O-N 3.38Å
852	H	79.6	Confident	72.5	Confident	123 Å²	123	70.1 Å²	70.1	57%	0.569	40%	0.404	S	S	*	.	H	α-helix	trans	-65.2	-46.1	178.2	-172.5	70.4	0	0	0	112.8	H850 A854 A855 Q856	H850-H852 PolarHBondContact O-N 3.37Å; H852-A854 VanDerWaalsContact C-N 3.31Å; H852-A854 PolarHBondContact O-N 3.45Å; H852-A855 PolarHBondContact O-N 3.3Å; H852-Q856 WeakPolarHBondContact O-CB 3.41Å; H852-Q856 PolarHBondContact O-N 3.44Å
853	C	77.3	Confident	71.4	Confident	17 Å²	17	72.3 Å²	72.3	12%	0.115	42%	0.416	C	S	.	.	H	α-helix	trans	-64.2	-36.6	178.5	-61.8	0	0	0	0	112.1	L830 C831 H850 Q856 R857	L830-C853 HydrophobicContact CB-CB 3.91Å; L830-C853 HydrophobicContact CD1-CB 3.74Å; L830-C853 HydrophobicContact CG-CB 4.45Å; C831-C853 VanDerWaalsContact SG-SG 3.68Å; H850-C853 HydrophobicContact CB-CB 4.34Å; H850-C853 PolarHBondContact O-N 2.89Å; H850-C853 VanDerWaalsContact O-N 3.11Å; C853-Q856 PolarHBondContact O-N 2.92Å; C853-R857 WeakPolarHBondContact O-CB 3.38Å; C853-R857 PolarHBondContact O-N 2.93Å
854	A	79.8	Confident	70	Confident	13 Å²	13	78 Å²	78	11%	0.107	44%	0.439	C	S	.	.	H	α-helix	trans	-64.8	-45	172.4	0	0	0	0	0	111.7	V841 V849 H850 V851 H852 Q856 R857 V858	V841-A854 HydrophobicContact CB-CB 4.2Å; V841-A854 HydrophobicContact CG1-CB 4.25Å; V841-A854 HydrophobicContact CG2-CB 4.45Å; V849-A854 HydrophobicContact CG2-CB 3.91Å; H850-A854 PolarHBondContact O-N 3.47Å; V851-A854 PolarHBondContact O-N 2.89Å; H852-A854 VanDerWaalsContact C-N 3.31Å; H852-A854 PolarHBondContact O-N 3.45Å; A854-Q856 VanDerWaalsContact C-N 3.29Å; A854-Q856 PolarHBondContact O-N 3.13Å; A854-R857 PolarHBondContact O-N 2.81Å; A854-V858 VanDerWaalsContact O-CG2 3.32Å; A854-V858 WeakPolarHBondContact O-CG2 3.4Å; A854-V858 PolarHBondContact O-N 3.37Å
855	A	78	Confident	68.9	Low	38 Å²	38	82.4 Å²	82.4	31%	0.314	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-32.9	177.5	0	0	0	0	0	112.8	V851 H852 R859	V851-A855 WeakPolarHBondContact O-CB 3.35Å; V851-A855 PolarHBondContact O-N 3.38Å; H852-A855 PolarHBondContact O-N 3.3Å; A855-R859 WeakPolarHBondContact O-CG 3.41Å; A855-R859 PolarHBondContact O-N 3.48Å
856	Q	73	Confident	67.8	Low	96 Å²	96	86.5 Å²	86.5	45%	0.449	44%	0.436	S	S	.	.	H	α-helix	trans	-71.8	-45.6	175.6	-159.9	167.7	6.9	0	0	110.9	H852 C853 A854 V858 R859 D860	H852-Q856 WeakPolarHBondContact O-CB 3.41Å; H852-Q856 PolarHBondContact O-N 3.44Å; C853-Q856 PolarHBondContact O-N 2.92Å; A854-Q856 VanDerWaalsContact C-N 3.29Å; A854-Q856 PolarHBondContact O-N 3.13Å; Q856-V858 VanDerWaalsContact C-N 3.3Å; Q856-V858 PolarHBondContact O-N 3.29Å; Q856-R859 WeakPolarHBondContact O-CA 3.25Å; Q856-R859 WeakPolarHBondContact O-CB 3.26Å; Q856-R859 PolarHBondContact O-N 3.16Å; Q856-D860 PolarHBondContact O-N 3.33Å
857	R	69.9	Low	66.3	Low	140 Å²	140	91.5 Å²	91.5	53%	0.528	46%	0.455	S	S	.	.	H	α-helix	trans	-59.6	-36.3	173.6	-173.4	176.6	178.9	167.4	2.1	113.4	L830 C853 A854 R859 D860 S861	L830-R857 HydrophobicContact CD1-CB 4.31Å; C853-R857 WeakPolarHBondContact O-CB 3.38Å; C853-R857 PolarHBondContact O-N 2.93Å; A854-R857 PolarHBondContact O-N 2.81Å; R857-R859 VanDerWaalsContact C-N 3.35Å; R857-D860 PolarHBondContact O-N 3.47Å; R857-S861 WeakPolarHBondContact O-CB 3.32Å; R857-S861 PolarHBondContact O-N 3.46Å
858	V	65.3	Low	64.5	Low	96 Å²	96	93.5 Å²	93.5	58%	0.582	48%	0.476	S	S	*	.	H	α-helix	trans	-71.2	-30.3	175.2	173.3	0	0	0	0	111.7	A854 Q856 S861	A854-V858 VanDerWaalsContact O-CG2 3.32Å; A854-V858 WeakPolarHBondContact O-CG2 3.4Å; A854-V858 PolarHBondContact O-N 3.37Å; Q856-V858 VanDerWaalsContact C-N 3.3Å; Q856-V858 PolarHBondContact O-N 3.29Å; V858-S861 PolarHBondContact O-OG 3.1Å
859	R	63.1	Low	62.7	Low	181 Å²	181	99.8 Å²	99.8	68%	0.683	51%	0.509	S	S	*	.	H	α-helix	trans	-70.3	-36.7	170.7	-76.6	-177.1	-121.8	-151.4	0.5	112.3	A855 Q856 R857	A855-R859 WeakPolarHBondContact O-CG 3.41Å; A855-R859 PolarHBondContact O-N 3.48Å; Q856-R859 WeakPolarHBondContact O-CA 3.25Å; Q856-R859 WeakPolarHBondContact O-CB 3.26Å; Q856-R859 PolarHBondContact O-N 3.16Å; R857-R859 VanDerWaalsContact C-N 3.35Å
860	D	59.7	Low	60.9	Low	124 Å²	124	104.5 Å²	104.5	66%	0.663	54%	0.542	S	S	*	.	H	α-helix	trans	-85.7	-7.5	-178	-62.9	-28.7	0	0	0	113.5	Q856 R857	Q856-D860 PolarHBondContact O-N 3.33Å; R857-D860 PolarHBondContact O-N 3.47Å
861	S	56.3	Low	59.1	Low	37 Å²	37	105.7 Å²	105.7	26%	0.259	56%	0.563	S	S	.	*	S	Bend	trans	-72.1	134.4	176.3	68.9	0	0	0	0	111.9	R857 V858 T863	R857-S861 WeakPolarHBondContact O-CB 3.32Å; R857-S861 PolarHBondContact O-N 3.46Å; V858-S861 PolarHBondContact O-OG 3.1Å; S861-T863 PolarHBondContact O-N 3.06Å; S861-T863 PolarHBondContact OG-OG1 3.46Å
862	P	51.3	Low	57.3	Low	105 Å²	105	109.9 Å²	109.9	68%	0.682	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-65.8	-8.1	-173.1	21.8	-30.6	0	0	0	114.8	K864 R865	P862-K864 VanDerWaalsContact C-N 3.31Å; P862-K864 PolarHBondContact O-N 3.48Å; P862-R865 PolarHBondContact O-N 3.06Å
863	T	53.4	Low	55.3	Low	101 Å²	101	113.4 Å²	113.4	62%	0.62	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-73.6	-8.8	-177.8	19.4	0	0	0	0	115.3	S861	S861-T863 PolarHBondContact O-N 3.06Å; S861-T863 PolarHBondContact OG-OG1 3.46Å
864	K	46.6	Very low	53.4	Low	164 Å²	164	123 Å²	123	71%	0.713	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-95.3	-7.7	167.7	-112.7	-176	-179.4	-177.1	0	114.7	P862 Q866	P862-K864 VanDerWaalsContact C-N 3.31Å; P862-K864 PolarHBondContact O-N 3.48Å; K864-Q866 VanDerWaalsContact C-N 3.28Å; K864-Q866 PolarHBondContact O-N 3.13Å
865	R	44.7	Very low	52.1	Low	222 Å²	222	128.5 Å²	128.5	84%	0.838	69%	0.685	S	S	*	*	S	Bend	trans	-78.1	-8.2	172	-81.9	-175.7	176.2	176.5	-0.3	113.8	P862	P862-R865 PolarHBondContact O-N 3.06Å
866	Q	47.1	Very low	50.8	Low	165 Å²	165	133.2 Å²	133.2	77%	0.771	70%	0.704	S	S	*	*	S	Bend	trans	-104.6	-5.3	179.7	-79.5	-175.6	-22.9	0	0	115.4	K864	K864-Q866 VanDerWaalsContact C-N 3.28Å; K864-Q866 PolarHBondContact O-N 3.13Å
867	L	42.6	Very low	49.5	Very low	137 Å²	137	135.3 Å²	135.3	72%	0.717	72%	0.718	S	S	*	*	S	Bend	trans	-104	-1.9	178.6	-82.9	157.9	0	0	0	114.4
868	A	39.8	Very low	48.3	Very low	84 Å²	84	135 Å²	135	69%	0.694	73%	0.73	S	S	*	*	S	Bend	trans	-95.4	-4.1	174.4	0	0	0	0	0	113.9
869	N	44.3	Very low	47.3	Very low	153 Å²	153	137.4 Å²	137.4	82%	0.818	74%	0.739	S	S	*	*	S	Bend	trans	-114.9	17.2	-175.8	-95.6	8.3	0	0	0	114.5
870	S	42.9	Very low	46.2	Very low	99 Å²	99	134.5 Å²	134.5	69%	0.692	74%	0.742	S	S	*	*	S	Bend	trans	-116.5	31.2	175	70.2	0	0	0	0	113.4
871	G	44.9	Very low	45.2	Very low	58 Å²	58	135.3 Å²	135.3	60%	0.598	75%	0.748	S	S	*	*	S	Bend	trans	-132.8	79.9	171	0	0	0	0	0	109.4
872	N	43.6	Very low	44.4	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	79%	0.786	S	S	*	*			trans	173.8	71.8	154.1	-86.4	-12.1	0	0	0	109.6
873	H	37.4	Very low	43.8	Very low	197 Å²	197	146 Å²	146	91%	0.912	79%	0.794	S	S	*	*			trans	-148.3	77.7	153.8	-84.4	-52.1	0	0	0	108.3
874	T	38.4	Very low	42.9	Very low	217 Å²	217	150.1 Å²	150.1	100%	1.331	81%	0.81	S	S	*	*			trans	-117.7	0	131.6	44.8	0	0	0	0	106.3

Retrieved 874 of 874 residues in 1672.3 ms (Link to these results)

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