A0A087XM72_POEFO Loading...

Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase

Catalyzes the third of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme catalyzes the dehydration of the 3-hydroxyacyl-CoA intermediate into trans-2,3-enoyl-CoA, within each cycle of fatty acid elongation. Thereby, it participates to the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A087XM72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 359 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	F	39.1	Very low	76.4	Confident	255 Å²	255	82.5 Å²	82.5	100%	1.118	42%	0.415	S	S	*	.				0	95.2	0	-70.9	-83.4	0	0	0	106.8	M3	F1-M3 PolarHBondContact O-N 3.42Å; F1-M3 VanDerWaalsContact O-N 3.16Å
2	D	50.7	Low	77.7	Confident	166 Å²	166	75.6 Å²	75.6	89%	0.888	38%	0.381	S	S	*	.			trans	-67.2	111.8	173.8	-81.1	-23.5	0	0	0	108	T4	D2-T4 PolarHBondContact O-N 2.72Å
3	M	59.2	Low	78.7	Confident	152 Å²	152	70.2 Å²	70.2	75%	0.749	35%	0.353	S	S	*	.			trans	-70.5	112.6	173.1	-71.3	-174.6	-166.4	0	0	108.1	F1	F1-M3 PolarHBondContact O-N 3.42Å; F1-M3 VanDerWaalsContact O-N 3.16Å
4	T	69.3	Low	79.5	Confident	89 Å²	89	68.4 Å²	68.4	55%	0.546	34%	0.34	S	S	.	.			trans	-71	130.3	167.6	47.4	0	0	0	0	108.9	D2	D2-T4 PolarHBondContact O-N 2.72Å
5	L	84.3	Confident	80	Confident	25 Å²	25	64.6 Å²	64.6	13%	0.131	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-114.3	147.5	-177.3	-65.5	176.3	0	0	0	110.3	K49 H52 N53 Y54 E55	L5-K49 HydrophobicContact CD1-CB 3.68Å; L5-K49 HydrophobicContact CD1-CD 3.9Å; L5-K49 HydrophobicContact CD1-CG 4.45Å; L5-K49 HydrophobicContact CD2-CD 3.82Å; L5-K49 HydrophobicContact CG-CD 4.39Å; L5-H52 HydrophobicContact CD1-CB 3.83Å; L5-N53 PolarHBondContact N-O 3.18Å; L5-Y54 HydrophobicContact CB-CD1 3.82Å; L5-Y54 HydrophobicContact CB-CE1 3.64Å; L5-Y54 HydrophobicContact CD1-CE1 4.48Å; L5-Y54 VanDerWaalsContact O-CA 3.23Å; L5-Y54 WeakPolarHBondContact O-CA 3.42Å; L5-Y54 VanDerWaalsContact O-CD1 3.32Å; L5-Y54 WeakPolarHBondContact O-CD1 3.33Å; L5-E55 PolarHBondContact O-N 3.26Å
6	T	86.3	Confident	80.5	Confident	82 Å²	82	67.2 Å²	67.2	50%	0.503	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-90.8	127.9	174.2	50.5	0	0	0	0	110.3
7	P	87.7	Confident	81.1	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.032	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-79.9	163.4	175.6	33.3	-33.5	0	0	0	110.7	V9 V22 L24 Y54 F56 F101	P7-V9 HydrophobicContact CG-CG2 4.39Å; P7-V22 HydrophobicContact CB-CG1 3.78Å; P7-V22 HydrophobicContact CG-CG1 3.69Å; P7-L24 HydrophobicContact CB-CD1 4.16Å; P7-L24 HydrophobicContact CB-CD2 4.05Å; P7-L24 HydrophobicContact CB-CG 4.04Å; P7-L24 HydrophobicContact CG-CD1 4.46Å; P7-Y54 HydrophobicContact CB-CD1 3.79Å; P7-Y54 HydrophobicContact CB-CE1 4.46Å; P7-Y54 HydrophobicContact CB-CG 4.2Å; P7-Y54 HydrophobicContact CG-CD1 4.33Å; P7-F56 HydrophobicContact CG-CD1 3.73Å; P7-F56 HydrophobicContact CG-CE1 4.23Å; P7-F101 WeakPolarHBondContact O-CB 3.36Å
8	L	89.1	Confident	81.7	Confident	61 Å²	61	61.9 Å²	61.9	32%	0.319	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-77.7	130.9	170.7	-165.6	68.5	0	0	0	109.5	Y10 E23 V103	L8-Y10 HydrophobicContact CD2-CE2 3.82Å; L8-Y10 VanDerWaalsContact CD2-OH 3.26Å; L8-Y10 WeakPolarHBondContact CD2-OH 3.22Å; L8-Y10 HydrophobicContact CG-CE2 4.17Å; L8-E23 HydrophobicContact CB-CB 4.39Å; L8-E23 WeakPolarHBondContact CD2-OE2 3.25Å; L8-E23 PolarHBondContact O-N 2.82Å; L8-V103 HydrophobicContact CD1-CG2 3.8Å; L8-V103 HydrophobicContact CG-CG2 4.49Å
9	V	91.3	Very high	82.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.5	-176.8	-174.1	0	0	0	0	109.9	P7 L20 V22 F56 F101 L102 V103	P7-V9 HydrophobicContact CG-CG2 4.39Å; V9-L20 HydrophobicContact CG1-CB 4.25Å; V9-L20 HydrophobicContact CG1-CD2 4.28Å; V9-V22 HydrophobicContact CG1-CG2 4.34Å; V9-V22 HydrophobicContact CG2-CG1 4.32Å; V9-V22 HydrophobicContact CG2-CG2 4.24Å; V9-F56 HydrophobicContact CG1-CZ 4.39Å; V9-F56 HydrophobicContact CG2-CD1 3.97Å; V9-F56 HydrophobicContact CG2-CE1 3.66Å; V9-F56 HydrophobicContact CG2-CE2 4.4Å; V9-F56 HydrophobicContact CG2-CG 4.46Å; V9-F56 HydrophobicContact CG2-CZ 3.91Å; V9-F101 HydrophobicContact CB-CD2 4.33Å; V9-F101 HydrophobicContact CG2-CD2 4.02Å; V9-F101 HydrophobicContact CG2-CE2 4.41Å; V9-F101 PolarHBondContact N-O 3.36Å; V9-L102 HydrophobicContact CB-CD1 4.29Å; V9-L102 HydrophobicContact CG1-CD1 4.17Å; V9-L102 CarbonylContact O-C 3.46Å; V9-L102 WeakPolarHBondContact O-CA 3.37Å; V9-V103 PolarHBondContact O-N 3.44Å
10	Y	91.9	Very high	82.7	Confident	50 Å²	50	58.2 Å²	58.2	20%	0.196	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.4	173.2	-61.8	-89.4	0	0	0	110.3	L8 L20 R21 E23 V103	L8-Y10 HydrophobicContact CD2-CE2 3.82Å; L8-Y10 VanDerWaalsContact CD2-OH 3.26Å; L8-Y10 WeakPolarHBondContact CD2-OH 3.22Å; L8-Y10 HydrophobicContact CG-CE2 4.17Å; Y10-L20 CarbonylContact O-C 3.6Å; Y10-L20 WeakPolarHBondContact O-CA 3.5Å; Y10-R21 PolarHBondContact N-O 3.29Å; Y10-R21 PolarHBondContact O-N 3.01Å; Y10-E23 HydrophobicContact CE2-CB 4.32Å; Y10-V103 CarbonylContact C-O 3.54Å; Y10-V103 WeakPolarHBondContact CA-O 3.4Å; Y10-V103 HydrophobicContact CD1-CB 4.02Å; Y10-V103 HydrophobicContact CD1-CG1 4.08Å; Y10-V103 HydrophobicContact CE1-CB 4.14Å; Y10-V103 HydrophobicContact CE1-CG1 3.98Å
11	W	92.1	Very high	83.1	Confident	22 Å²	22	57 Å²	57	8%	0.083	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.5	178.3	80.1	-79.9	0	0	0	113.8	Q13 Y19 L20 L92 L102 V103 D105 W109	W11-Q13 HydrophobicContact CZ3-CB 4.21Å; W11-Q13 HydrophobicContact CZ3-CG 4.22Å; W11-Y19 CarbonylContact C-O 3.59Å; W11-Y19 VanDerWaalsContact CA-O 3.22Å; W11-Y19 WeakPolarHBondContact CA-O 3.31Å; W11-L20 HydrophobicContact CB-CD2 3.59Å; W11-L92 HydrophobicContact CB-CD2 4Å; W11-L92 HydrophobicContact CD2-CB 4.2Å; W11-L92 HydrophobicContact CD2-CD2 3.73Å; W11-L92 HydrophobicContact CD2-CG 4.39Å; W11-L92 HydrophobicContact CE3-CB 4.11Å; W11-L92 HydrophobicContact CE3-CD1 3.93Å; W11-L92 HydrophobicContact CE3-CD2 3.93Å; W11-L92 HydrophobicContact CE3-CG 4.21Å; W11-L92 HydrophobicContact CG-CD2 3.74Å; W11-L92 HydrophobicContact CH2-CB 4.09Å; W11-L92 HydrophobicContact CZ2-CB 4.17Å; W11-L92 HydrophobicContact CZ3-CB 4.05Å; W11-L92 HydrophobicContact CZ3-CD1 4.17Å; W11-L102 HydrophobicContact CB-CD1 4.1Å; W11-L102 HydrophobicContact CG-CD1 4.09Å; W11-L102 HydrophobicContact CG-CG 4.42Å; W11-V103 VanDerWaalsContact CD1-O 3.22Å; W11-V103 PolarHBondContact N-O 3.08Å; W11-D105 PolarHBondContact O-N 3.48Å; W11-W109 HydrophobicContact CH2-CH2 4.06Å; W11-W109 HydrophobicContact CH2-CZ3 4.19Å; W11-W109 HydrophobicContact CZ2-CH2 4.01Å; W11-W109 HydrophobicContact CZ2-CZ3 4.03Å
12	A	91.6	Very high	85.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.5	168.8	0	0	0	0	0	109.4	Y19 D105 R108	A12-Y19 PolarHBondContact N-O 2.74Å; A12-Y19 PolarHBondContact O-N 3.47Å; A12-D105 HydrophobicContact CB-CB 4.14Å; A12-R108 HydrophobicContact CB-CB 3.84Å
13	Q	90.8	Very high	87.5	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162	178.4	68	175.8	-30.3	0	0	112.6	W11 W88 W89	W11-Q13 HydrophobicContact CZ3-CB 4.21Å; W11-Q13 HydrophobicContact CZ3-CG 4.22Å; Q13-W88 HydrophobicContact CG-CD2 4.47Å; Q13-W88 HydrophobicContact CG-CE3 4.33Å; Q13-W88 HydrophobicContact CG-CH2 3.83Å; Q13-W88 HydrophobicContact CG-CZ2 3.99Å; Q13-W88 HydrophobicContact CG-CZ3 4.02Å; Q13-W88 VanDerWaalsContact NE2-CE2 3.32Å; Q13-W89 PolarHBondContact NE2-O 3Å
14	R	89.7	Confident	88.9	Confident	45 Å²	45	34.4 Å²	34.4	17%	0.17	17%	0.168	C	C	.	.			trans	-129.3	-179.5	161.4	-63.2	-67	-177.2	-87.4	2.6	108	E16 E17 Y19 K83 R108 E118	R14-E16 PolarHBondContact O-N 3.01Å; R14-E17 PolarHBondContact N-O 3.02Å; R14-Y19 HydrophobicContact CG-CE2 3.74Å; R14-K83 WeakPolarHBondContact O-CE 3.33Å; R14-K83 PolarHBondContact O-NZ 2.98Å; R14-R108 PolarHBondContact NH1-O 3.21Å; R14-R108 PolarHBondContact NH2-O 3Å; R14-E118 IonicContact NE-OE2 3.64Å
15	H	86.6	Confident	89.6	Confident	11 Å²	11	32.5 Å²	32.5	5%	0.051	16%	0.156	C	C	.	.	S	Bend	trans	-59.3	-31	177.6	-72.9	89.6	0	0	0	113.8	R86 G87 I119	H15-R86 HydrophobicContact CB-CG 3.9Å; H15-R86 CarbonylContact O-C 3.5Å; H15-R86 WeakPolarHBondContact O-CA 3.39Å; H15-G87 PolarHBondContact O-N 3.38Å; H15-I119 HydrophobicContact CB-CD1 4.1Å
16	E	88.1	Confident	89.6	Confident	106 Å²	106	36.4 Å²	36.4	50%	0.495	18%	0.177	S	C	.	.	S	Bend	trans	-114.8	-22.6	-175.1	-62.6	-175.6	173.9	0	0	114	R14 K83 R86	R14-E16 PolarHBondContact O-N 3.01Å; E16-K83 PolarHBondContact O-N 3.38Å; E16-R86 HydrophobicContact CG-CB 4.45Å; E16-R86 HydrophobicContact CG-CG 3.98Å; E16-R86 IonicContact OE1-NH1 3.32Å
17	E	91	Very high	89.5	Confident	40 Å²	40	33.3 Å²	33.3	19%	0.187	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.3	-168.8	-62.6	-170.8	159.9	0	0	111.3	R14 Y19 T80 V81 R82	R14-E17 PolarHBondContact N-O 3.02Å; E17-Y19 HydrophobicContact CB-CE1 4.38Å; E17-Y19 HydrophobicContact CB-CE2 4.5Å; E17-Y19 PolarHBondContact OE2-OH 3.28Å; E17-T80 HydrophobicContact CB-CG2 4.25Å; E17-T80 HydrophobicContact CG-CG2 4.41Å; E17-V81 CarbonylContact C-O 3.53Å; E17-V81 WeakPolarHBondContact CA-O 3.42Å; E17-R82 HydrophobicContact CG-CG 4.1Å; E17-R82 IonicContact OE1-CZ 2.83Å; E17-R82 IonicContact OE1-NE 3.29Å; E17-R82 PolarHBondContact OE1-NE 2.92Å; E17-R82 IonicContact OE1-NH2 2.62Å
18	I	91.3	Very high	89.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.5	172.3	-59.1	169.4	0	0	0	106.9	L20 F60 V64 T80 V81 K83 W89 L92	I18-L20 HydrophobicContact CG2-CD2 4.41Å; I18-L20 HydrophobicContact CG2-CG 4.46Å; I18-F60 HydrophobicContact CD1-CD1 4.33Å; I18-F60 HydrophobicContact CD1-CE1 4.38Å; I18-V64 HydrophobicContact CD1-CG1 4.34Å; I18-T80 WeakPolarHBondContact O-CA 3.31Å; I18-V81 HydrophobicContact CB-CB 4.4Å; I18-V81 PolarHBondContact N-O 3.3Å; I18-V81 PolarHBondContact O-N 2.94Å; I18-K83 HydrophobicContact CD1-CG 4.04Å; I18-K83 HydrophobicContact CG1-CD 4.39Å; I18-K83 HydrophobicContact CG1-CG 4Å; I18-W89 HydrophobicContact CD1-CD2 4.45Å; I18-W89 HydrophobicContact CD1-CE3 3.87Å; I18-W89 HydrophobicContact CD1-CH2 3.46Å; I18-W89 VanDerWaalsContact CD1-CH2 3.46Å; I18-W89 HydrophobicContact CD1-CZ2 4.06Å; I18-W89 HydrophobicContact CD1-CZ3 3.33Å; I18-L92 HydrophobicContact CD1-CD1 3.98Å; I18-L92 HydrophobicContact CG2-CD1 3.72Å
19	Y	91.9	Very high	89.1	Confident	46 Å²	46	42.3 Å²	42.3	18%	0.18	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.6	177.3	-58.3	-66.4	0	0	0	109	W11 A12 R14 E17 T80	W11-Y19 CarbonylContact C-O 3.59Å; W11-Y19 VanDerWaalsContact CA-O 3.22Å; W11-Y19 WeakPolarHBondContact CA-O 3.31Å; A12-Y19 PolarHBondContact N-O 2.74Å; A12-Y19 PolarHBondContact O-N 3.47Å; R14-Y19 HydrophobicContact CG-CE2 3.74Å; E17-Y19 HydrophobicContact CB-CE1 4.38Å; E17-Y19 HydrophobicContact CB-CE2 4.5Å; E17-Y19 PolarHBondContact OE2-OH 3.28Å; Y19-T80 HydrophobicContact CD1-CG2 3.95Å; Y19-T80 HydrophobicContact CE1-CG2 3.67Å
20	L	92.4	Very high	88.9	Confident	2 Å²	2	44 Å²	44	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.8	171.2	-58	171.6	0	0	0	108.3	V9 Y10 W11 I18 L39 L58 F60 N78 I79 L92	V9-L20 HydrophobicContact CG1-CB 4.25Å; V9-L20 HydrophobicContact CG1-CD2 4.28Å; Y10-L20 CarbonylContact O-C 3.6Å; Y10-L20 WeakPolarHBondContact O-CA 3.5Å; W11-L20 HydrophobicContact CB-CD2 3.59Å; I18-L20 HydrophobicContact CG2-CD2 4.41Å; I18-L20 HydrophobicContact CG2-CG 4.46Å; L20-L39 HydrophobicContact CD1-CD1 4.18Å; L20-L39 HydrophobicContact CD1-CD2 4.07Å; L20-L58 HydrophobicContact CD1-CD2 4.05Å; L20-L58 HydrophobicContact CD2-CD2 4.14Å; L20-F60 HydrophobicContact CD1-CZ 4.38Å; L20-N78 CarbonylContact O-C 3.59Å; L20-I79 HydrophobicContact CB-CB 4.18Å; L20-I79 PolarHBondContact N-O 3.18Å; L20-I79 PolarHBondContact O-N 3.01Å; L20-L92 HydrophobicContact CD2-CD2 4.15Å
21	R	91.9	Very high	88.7	Confident	34 Å²	34	45.4 Å²	45.4	13%	0.128	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107	177.2	171.8	-177.6	82.4	-170.5	17.9	108.2	Y10 Q76 D105 D107	Y10-R21 PolarHBondContact N-O 3.29Å; Y10-R21 PolarHBondContact O-N 3.01Å; R21-Q76 HydrophobicContact CG-CB 4.32Å; R21-D105 IonicContact CZ-OD1 2.78Å; R21-D105 VanDerWaalsContact CZ-OD1 3.24Å; R21-D105 IonicContact CZ-OD2 3.18Å; R21-D105 IonicContact NE-OD2 2.95Å; R21-D105 IonicContact NH1-OD1 3.96Å; R21-D105 PolarHBondContact NH1-OD1 3.4Å; R21-D105 IonicContact NH1-OD2 3.93Å; R21-D105 PolarHBondContact NH1-OD2 2.86Å; R21-D105 IonicContact NH2-OD1 3.76Å; R21-D105 PolarHBondContact NH2-OD1 3.01Å; R21-D107 IonicContact CZ-OD2 3.25Å; R21-D107 IonicContact NH1-OD2 3.95Å; R21-D107 PolarHBondContact NH1-OD2 3.21Å; R21-D107 IonicContact NH2-OD2 2.87Å; R21-D107 PolarHBondContact NH2-OD2 3.49Å; R21-D107 VanDerWaalsContact NH2-OD2 3.13Å
22	V	91.8	Very high	88.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.1	178.9	-170.5	0	0	0	0	108.7	P7 V9 L24 F41 F56 Q76 V77 I79	P7-V22 HydrophobicContact CB-CG1 3.78Å; P7-V22 HydrophobicContact CG-CG1 3.69Å; V9-V22 HydrophobicContact CG1-CG2 4.34Å; V9-V22 HydrophobicContact CG2-CG1 4.32Å; V9-V22 HydrophobicContact CG2-CG2 4.24Å; V22-L24 HydrophobicContact CG1-CD1 3.73Å; V22-L24 HydrophobicContact CG1-CG 3.93Å; V22-L24 PolarHBondContact O-N 3.03Å; V22-L24 VanDerWaalsContact O-N 3.09Å; V22-F41 HydrophobicContact CG1-CE1 4.05Å; V22-F41 HydrophobicContact CG1-CZ 4.22Å; V22-F41 HydrophobicContact CG2-CE2 4.42Å; V22-F41 HydrophobicContact CG2-CZ 4.44Å; V22-F56 HydrophobicContact CG1-CE1 4.32Å; V22-F56 HydrophobicContact CG2-CE1 3.81Å; V22-F56 HydrophobicContact CG2-CZ 4.05Å; V22-Q76 WeakPolarHBondContact O-CA 3.45Å; V22-Q76 WeakPolarHBondContact O-CB 3.34Å; V22-V77 HydrophobicContact CB-CB 4.25Å; V22-V77 PolarHBondContact N-O 2.56Å; V22-V77 PolarHBondContact O-N 2.87Å; V22-I79 HydrophobicContact CG2-CD1 3.87Å
23	E	89.1	Confident	88.3	Confident	98 Å²	98	49.8 Å²	49.8	46%	0.458	25%	0.249	S	C	.	.			trans	-82.5	86.1	-180	-167.6	178	-170.6	0	0	110.6	L8 Y10	L8-E23 HydrophobicContact CB-CB 4.39Å; L8-E23 WeakPolarHBondContact CD2-OE2 3.25Å; L8-E23 PolarHBondContact O-N 2.82Å; Y10-E23 HydrophobicContact CE2-CB 4.32Å
24	L	88.1	Confident	88.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.			trans	-136	122.7	176.5	-72.9	173.1	0	0	0	109.8	P7 V22 A27 F41 A43 Y54 R75 Q76	P7-L24 HydrophobicContact CB-CD1 4.16Å; P7-L24 HydrophobicContact CB-CD2 4.05Å; P7-L24 HydrophobicContact CB-CG 4.04Å; P7-L24 HydrophobicContact CG-CD1 4.46Å; V22-L24 HydrophobicContact CG1-CD1 3.73Å; V22-L24 HydrophobicContact CG1-CG 3.93Å; V22-L24 PolarHBondContact O-N 3.03Å; V22-L24 VanDerWaalsContact O-N 3.09Å; L24-A27 HydrophobicContact CB-CB 4.32Å; L24-F41 HydrophobicContact CD1-CE1 3.75Å; L24-F41 HydrophobicContact CD1-CZ 4.01Å; L24-A43 HydrophobicContact CD1-CB 4.29Å; L24-Y54 HydrophobicContact CD1-CG 4.4Å; L24-Y54 HydrophobicContact CD2-CD1 4.22Å; L24-Y54 HydrophobicContact CD2-CD2 3.36Å; L24-Y54 HydrophobicContact CD2-CE1 4.48Å; L24-Y54 HydrophobicContact CD2-CE2 3.67Å; L24-Y54 HydrophobicContact CD2-CG 3.66Å; L24-R75 CarbonylContact C-O 3.54Å; L24-R75 CarbonylContact O-C 3.52Å; L24-R75 VanDerWaalsContact O-O 3.13Å; L24-Q76 WeakPolarHBondContact O-CA 3.36Å; L24-Q76 PolarHBondContact O-N 3.47Å
25	T	85.7	Confident	87.8	Confident	50 Å²	50	54 Å²	54	31%	0.307	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	141.7	173.1	53.5	0	0	0	0	110.5	A27 R46 Q74	T25-A27 VanDerWaalsContact C-N 3.33Å; T25-A27 PolarHBondContact O-N 3.42Å; T25-R46 PolarHBondContact N-O 3.11Å; T25-R46 PolarHBondContact O-N 3.25Å; T25-R46 WeakPolarHBondContact OG1-CB 3.48Å; T25-R46 PolarHBondContact OG1-O 3.35Å; T25-Q74 WeakPolarHBondContact CA-O 3.48Å
26	D	83.6	Confident	87.5	Confident	107 Å²	107	61.2 Å²	61.2	57%	0.572	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.1	48	179.8	-62.8	-35.5	0	0	0	114.3	Q28 Q74	D26-Q28 PolarHBondContact O-N 3.25Å; D26-Q74 PolarHBondContact N-O 3.37Å
27	A	84.5	Confident	87.3	Confident	16 Å²	16	58 Å²	58	13%	0.132	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.4	-179	0	0	0	0	0	112.4	L24 T25 I30 L44 V77	L24-A27 HydrophobicContact CB-CB 4.32Å; T25-A27 VanDerWaalsContact C-N 3.33Å; T25-A27 PolarHBondContact O-N 3.42Å; A27-I30 HydrophobicContact CB-CD1 3.96Å; A27-I30 HydrophobicContact CB-CG1 4.1Å; A27-L44 CarbonylContact C-O 3.56Å; A27-L44 WeakPolarHBondContact CA-O 3.44Å; A27-V77 HydrophobicContact CB-CG2 3.63Å
28	Q	82.8	Confident	87.2	Confident	116 Å²	116	57.6 Å²	57.6	54%	0.542	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.1	177.8	-61.4	-179.4	12.6	0	0	110	D26 I30 L44	D26-Q28 PolarHBondContact O-N 3.25Å; Q28-I30 PolarHBondContact O-N 2.96Å; Q28-L44 PolarHBondContact N-O 3.1Å; Q28-L44 PolarHBondContact O-N 3.21Å
29	N	85.3	Confident	87.1	Confident	139 Å²	139	57.6 Å²	57.6	74%	0.743	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.9	52.2	-178.5	-59.2	-19.2	0	0	0	112.9	D31	N29-D31 PolarHBondContact O-N 3.44Å
30	I	86.8	Confident	87.1	Confident	37 Å²	37	60.8 Å²	60.8	19%	0.19	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	111.7	179.8	-58.5	168	0	0	0	108.7	A27 Q28 V32 F41 A43 S72 V77	A27-I30 HydrophobicContact CB-CD1 3.96Å; A27-I30 HydrophobicContact CB-CG1 4.1Å; Q28-I30 PolarHBondContact O-N 2.96Å; I30-V32 HydrophobicContact CG2-CG2 3.67Å; I30-F41 HydrophobicContact CG2-CE2 3.81Å; I30-F41 HydrophobicContact CG2-CZ 4.44Å; I30-A43 HydrophobicContact CG1-CB 4.03Å; I30-S72 VanDerWaalsContact CD1-CB 3.47Å; I30-S72 WeakPolarHBondContact CD1-OG 3.39Å; I30-V77 HydrophobicContact CD1-CG1 4.2Å; I30-V77 HydrophobicContact CD1-CG2 3.87Å; I30-V77 HydrophobicContact CG2-CG1 4.34Å
31	D	87.1	Confident	87.1	Confident	78 Å²	78	60.7 Å²	60.7	42%	0.417	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.3	170.9	-167.5	16.5	0	0	0	109.3	N29 F41 Q42	N29-D31 PolarHBondContact O-N 3.44Å; D31-F41 WeakPolarHBondContact O-CA 3.35Å; D31-Q42 HydrophobicContact CB-CB 4.48Å; D31-Q42 PolarHBondContact N-O 2.83Å; D31-Q42 PolarHBondContact O-N 3.21Å
32	V	88.8	Confident	87	Confident	19 Å²	19	62.9 Å²	62.9	12%	0.115	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	109.9	179.6	-166.4	0	0	0	0	108.3	I30 L39 K40 F41 V68 H70 I79	I30-V32 HydrophobicContact CG2-CG2 3.67Å; V32-L39 HydrophobicContact CG1-CD1 4.08Å; V32-L39 HydrophobicContact CG1-CG 4.32Å; V32-K40 WeakPolarHBondContact CA-O 3.44Å; V32-F41 HydrophobicContact CG2-CD2 3.71Å; V32-F41 HydrophobicContact CG2-CE2 4.08Å; V32-V68 HydrophobicContact CG1-CG1 3.96Å; V32-H70 HydrophobicContact CG2-CB 4.39Å; V32-I79 HydrophobicContact CG1-CD1 4.25Å; V32-I79 HydrophobicContact CG1-CG2 4.15Å; V32-I79 HydrophobicContact CG2-CD1 4.34Å
33	L	87.6	Confident	86.9	Confident	96 Å²	96	62.9 Å²	62.9	50%	0.503	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.4	-177.5	-64.2	172.4	0	0	0	109.7	L39 K40	L33-L39 WeakPolarHBondContact O-CA 3.49Å; L33-K40 PolarHBondContact N-O 3.28Å; L33-K40 PolarHBondContact O-N 3.5Å
34	V	87	Confident	86.9	Confident	18 Å²	18	61 Å²	61	11%	0.109	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.8	169.7	169.6	0	0	0	0	108	V38 L39 V64 V68	V34-V38 WeakPolarHBondContact CA-O 3.39Å; V34-L39 HydrophobicContact CG2-CB 3.96Å; V34-L39 HydrophobicContact CG2-CD1 3.73Å; V34-L39 HydrophobicContact CG2-CG 4.08Å; V34-V64 HydrophobicContact CG1-CG2 3.74Å; V34-V68 HydrophobicContact CB-CG2 3.97Å; V34-V68 HydrophobicContact CG2-CG2 3.31Å
35	H	83.4	Confident	86.8	Confident	120 Å²	120	61.1 Å²	61.1	56%	0.556	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.3	178.2	-170.3	71.8	0	0	0	108.9	N37 V38	H35-N37 PolarHBondContact O-N 3.29Å; H35-N37 VanDerWaalsContact O-N 3.15Å; H35-V38 PolarHBondContact N-O 3.39Å; H35-V38 WeakPolarHBondContact O-CB 3.33Å; H35-V38 PolarHBondContact O-N 3.47Å
36	E	79.3	Confident	86.8	Confident	163 Å²	163	66.5 Å²	66.5	76%	0.762	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	43.4	177.6	-64.4	-179.9	163.4	0	0	113.8	V38	E36-V38 PolarHBondContact O-N 3.46Å
37	N	84.9	Confident	86.9	Confident	38 Å²	38	62.3 Å²	62.3	20%	0.203	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	12.5	-179.3	-149.2	36.2	0	0	0	115.6	H35 F60 L62 P63 V64	H35-N37 PolarHBondContact O-N 3.29Å; H35-N37 VanDerWaalsContact O-N 3.15Å; N37-F60 PolarHBondContact ND2-O 3.39Å; N37-F60 WeakPolarHBondContact O-CD2 3.38Å; N37-F60 PolarHBondContact O-N 3.18Å; N37-L62 PolarHBondContact ND2-O 3.45Å; N37-L62 VanDerWaalsContact ND2-O 3.14Å; N37-L62 PolarHBondContact OD1-O 3.31Å; N37-L62 VanDerWaalsContact OD1-O 3.07Å; N37-P63 VanDerWaalsContact OD1-CA 3.3Å; N37-P63 WeakPolarHBondContact OD1-CA 3.44Å; N37-V64 PolarHBondContact OD1-N 2.95Å
38	V	87.7	Confident	86.5	Confident	32 Å²	32	67.1 Å²	67.1	19%	0.194	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.6	173.6	-175.4	0	0	0	0	109.4	V34 H35 E36 K40 L58 E59	V34-V38 WeakPolarHBondContact CA-O 3.39Å; H35-V38 PolarHBondContact N-O 3.39Å; H35-V38 WeakPolarHBondContact O-CB 3.33Å; H35-V38 PolarHBondContact O-N 3.47Å; E36-V38 PolarHBondContact O-N 3.46Å; V38-K40 HydrophobicContact CG1-CG 4.35Å; V38-L58 CarbonylContact C-O 3.58Å; V38-L58 WeakPolarHBondContact CA-O 3.36Å; V38-E59 HydrophobicContact CG2-CB 4.09Å; V38-E59 HydrophobicContact CG2-CG 4.03Å
39	L	90	Very high	86.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.9	169.9	-177.2	132.8	0	0	0	109.6	L20 V32 L33 V34 F41 F56 S57 L58 F60 I79 V81	L20-L39 HydrophobicContact CD1-CD1 4.18Å; L20-L39 HydrophobicContact CD1-CD2 4.07Å; V32-L39 HydrophobicContact CG1-CD1 4.08Å; V32-L39 HydrophobicContact CG1-CG 4.32Å; L33-L39 WeakPolarHBondContact O-CA 3.49Å; V34-L39 HydrophobicContact CG2-CB 3.96Å; V34-L39 HydrophobicContact CG2-CD1 3.73Å; V34-L39 HydrophobicContact CG2-CG 4.08Å; L39-F41 HydrophobicContact CD2-CB 4.31Å; L39-F56 HydrophobicContact CD2-CE2 3.57Å; L39-F56 HydrophobicContact CD2-CZ 3.88Å; L39-S57 CarbonylContact O-C 3.59Å; L39-S57 WeakPolarHBondContact O-CA 3.38Å; L39-L58 PolarHBondContact N-O 3.35Å; L39-L58 PolarHBondContact O-N 3.41Å; L39-F60 HydrophobicContact CB-CE2 3.68Å; L39-F60 HydrophobicContact CB-CZ 3.83Å; L39-F60 HydrophobicContact CD1-CE2 4.41Å; L39-F60 HydrophobicContact CD1-CZ 4.16Å; L39-I79 HydrophobicContact CD1-CG2 4.14Å; L39-V81 HydrophobicContact CD1-CG2 3.64Å
40	K	90.8	Very high	86.2	Confident	113 Å²	113	62.8 Å²	62.8	49%	0.491	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.9	170.5	-62.8	-171.8	179	179.9	0	108.9	V32 L33 V38	V32-K40 WeakPolarHBondContact CA-O 3.44Å; L33-K40 PolarHBondContact N-O 3.28Å; L33-K40 PolarHBondContact O-N 3.5Å; V38-K40 HydrophobicContact CG1-CG 4.35Å
41	F	92.6	Very high	86.1	Confident	1 Å²	1	67.6 Å²	67.6	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.4	177.4	174.6	-88.3	0	0	0	109.2	V22 L24 I30 D31 V32 L39 A43 E55 F56 V77 I79	V22-F41 HydrophobicContact CG1-CE1 4.05Å; V22-F41 HydrophobicContact CG1-CZ 4.22Å; V22-F41 HydrophobicContact CG2-CE2 4.42Å; V22-F41 HydrophobicContact CG2-CZ 4.44Å; L24-F41 HydrophobicContact CD1-CE1 3.75Å; L24-F41 HydrophobicContact CD1-CZ 4.01Å; I30-F41 HydrophobicContact CG2-CE2 3.81Å; I30-F41 HydrophobicContact CG2-CZ 4.44Å; D31-F41 WeakPolarHBondContact O-CA 3.35Å; V32-F41 HydrophobicContact CG2-CD2 3.71Å; V32-F41 HydrophobicContact CG2-CE2 4.08Å; L39-F41 HydrophobicContact CD2-CB 4.31Å; F41-A43 HydrophobicContact CE1-CB 3.67Å; F41-A43 HydrophobicContact CE2-CB 4.41Å; F41-A43 HydrophobicContact CZ-CB 3.49Å; F41-A43 VanDerWaalsContact CZ-CB 3.49Å; F41-E55 VanDerWaalsContact O-CA 3.27Å; F41-E55 WeakPolarHBondContact O-CA 3.33Å; F41-E55 WeakPolarHBondContact O-CG 3.41Å; F41-F56 HydrophobicContact CB-CD1 3.76Å; F41-F56 HydrophobicContact CB-CD2 4.45Å; F41-F56 HydrophobicContact CB-CE1 3.34Å; F41-F56 HydrophobicContact CB-CE2 4.1Å; F41-F56 HydrophobicContact CB-CG 4.3Å; F41-F56 HydrophobicContact CB-CZ 3.53Å; F41-F56 AromaticContact CD1-CD1 3.63Å; F41-F56 HydrophobicContact CD1-CD1 3.63Å; F41-F56 AromaticContact CD1-CE1 3.34Å; F41-F56 HydrophobicContact CD1-CE1 3.34Å; F41-F56 HydrophobicContact CD1-CZ 4.32Å; F41-F56 HydrophobicContact CD2-CE1 4.28Å; F41-F56 HydrophobicContact CE1-CE1 4.22Å; F41-F56 AromaticContact CG-CD1 3.98Å; F41-F56 HydrophobicContact CG-CD1 3.98Å; F41-F56 AromaticContact CG-CE1 3.38Å; F41-F56 HydrophobicContact CG-CE1 3.38Å; F41-F56 AromaticContact CG-CZ 3.91Å; F41-F56 HydrophobicContact CG-CZ 3.91Å; F41-F56 PolarHBondContact N-O 2.81Å; F41-F56 PolarHBondContact O-N 3.29Å; F41-V77 HydrophobicContact CE2-CB 4.47Å; F41-V77 HydrophobicContact CE2-CG1 4.07Å; F41-V77 HydrophobicContact CZ-CB 4.5Å; F41-V77 HydrophobicContact CZ-CG2 4.46Å; F41-I79 HydrophobicContact CD2-CD1 3.5Å; F41-I79 VanDerWaalsContact CD2-CD1 3.5Å; F41-I79 HydrophobicContact CE2-CD1 3.88Å; F41-I79 HydrophobicContact CG-CD1 4.39Å
42	Q	89.9	Confident	86.1	Confident	79 Å²	79	67.7 Å²	67.7	37%	0.369	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.5	172	-172.2	177.5	-6	0	0	109.7	D31 N53 Y54	D31-Q42 HydrophobicContact CB-CB 4.48Å; D31-Q42 PolarHBondContact N-O 2.83Å; D31-Q42 PolarHBondContact O-N 3.21Å; Q42-N53 PolarHBondContact NE2-ND2 3.22Å; Q42-Y54 WeakPolarHBondContact CA-O 3.24Å
43	A	90.3	Very high	86.1	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	145.9	173.6	0	0	0	0	0	111.7	L24 I30 F41 Y54	L24-A43 HydrophobicContact CD1-CB 4.29Å; I30-A43 HydrophobicContact CG1-CB 4.03Å; F41-A43 HydrophobicContact CE1-CB 3.67Å; F41-A43 HydrophobicContact CE2-CB 4.41Å; F41-A43 HydrophobicContact CZ-CB 3.49Å; F41-A43 VanDerWaalsContact CZ-CB 3.49Å; A43-Y54 PolarHBondContact N-O 3.37Å; A43-Y54 PolarHBondContact O-N 3.44Å
44	L	88.4	Confident	86.1	Confident	59 Å²	59	65 Å²	65	31%	0.309	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125	167.3	-174.4	74.1	0	0	0	108.5	A27 Q28 N53	A27-L44 CarbonylContact C-O 3.56Å; A27-L44 WeakPolarHBondContact CA-O 3.44Å; Q28-L44 PolarHBondContact N-O 3.1Å; Q28-L44 PolarHBondContact O-N 3.21Å; L44-N53 HydrophobicContact CD1-CB 4.5Å
45	G	87.1	Confident	86.4	Confident	2 Å²	2	67.5 Å²	67.5	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	179.7	179.8	0	0	0	0	0	112.6	Q51 H52 Y54	G45-Q51 WeakPolarHBondContact O-CA 3.36Å; G45-H52 PolarHBondContact N-O 2.98Å; G45-H52 PolarHBondContact O-N 2.72Å; G45-H52 VanDerWaalsContact O-N 3.08Å; G45-Y54 WeakPolarHBondContact O-CE2 3.33Å
46	R	85.5	Confident	86.7	Confident	163 Å²	163	62.1 Å²	62.1	62%	0.615	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.2	174.5	-177.7	-179.4	-172.2	-177.3	2.8	109.8	T25 G50	T25-R46 PolarHBondContact N-O 3.11Å; T25-R46 PolarHBondContact O-N 3.25Å; T25-R46 WeakPolarHBondContact OG1-CB 3.48Å; T25-R46 PolarHBondContact OG1-O 3.35Å; R46-G50 WeakPolarHBondContact CA-O 3.49Å
47	G	84.3	Confident	87.2	Confident	19 Å²	19	57.3 Å²	57.3	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-164.5	176	0	0	0	0	0	111.9	K49 G50 Y54	G47-K49 PolarHBondContact O-N 3.2Å; G47-G50 PolarHBondContact N-O 2.88Å; G47-G50 PolarHBondContact O-N 3.14Å; G47-Y54 WeakPolarHBondContact CA-OH 3.4Å; G47-Y54 PolarHBondContact N-OH 3.01Å
48	A	77.8	Confident	87.4	Confident	117 Å²	117	55.6 Å²	55.6	97%	0.967	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.4	-178.3	0	0	0	0	0	114.3
49	K	79.3	Confident	87.6	Confident	138 Å²	138	58.6 Å²	58.6	60%	0.6	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	13.9	-179	-67.9	-177.8	176.7	-178.9	0	113.3	L5 G47 H52 Y54	L5-K49 HydrophobicContact CD1-CB 3.68Å; L5-K49 HydrophobicContact CD1-CD 3.9Å; L5-K49 HydrophobicContact CD1-CG 4.45Å; L5-K49 HydrophobicContact CD2-CD 3.82Å; L5-K49 HydrophobicContact CG-CD 4.39Å; G47-K49 PolarHBondContact O-N 3.2Å; K49-H52 PolarHBondContact O-CD2 3.37Å; K49-Y54 PolarHBondContact N-OH 3.02Å
50	G	82.1	Confident	87.6	Confident	26 Å²	26	58.6 Å²	58.6	27%	0.268	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	96.4	-161.1	-178.7	0	0	0	0	0	113.3	R46 G47 Y54	R46-G50 WeakPolarHBondContact CA-O 3.49Å; G47-G50 PolarHBondContact N-O 2.88Å; G47-G50 PolarHBondContact O-N 3.14Å; G50-Y54 PolarHBondContact O-OH 3.13Å
51	Q	85.2	Confident	87.4	Confident	138 Å²	138	56 Å²	56	65%	0.645	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	107.3	-177.6	-174.2	172.2	-1.2	0	0	110.3	G45	G45-Q51 WeakPolarHBondContact O-CA 3.36Å
52	H	87.2	Confident	87.2	Confident	80 Å²	80	59.5 Å²	59.5	37%	0.37	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	168.6	-176.4	-73.1	-74.7	0	0	0	111	L5 G45 K49 Y54	L5-H52 HydrophobicContact CD1-CB 3.83Å; G45-H52 PolarHBondContact N-O 2.98Å; G45-H52 PolarHBondContact O-N 2.72Å; G45-H52 VanDerWaalsContact O-N 3.08Å; K49-H52 PolarHBondContact O-CD2 3.37Å; H52-Y54 HydrophobicContact CB-CE2 4.15Å; H52-Y54 VanDerWaalsContact O-CD2 3.24Å; H52-Y54 WeakPolarHBondContact O-CD2 3.17Å; H52-Y54 PolarHBondContact O-N 2.9Å
53	N	87.3	Confident	87.1	Confident	54 Å²	54	59 Å²	59	29%	0.289	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118	166.8	-173.1	25	0	0	0	108.8	L5 Q42 L44	L5-N53 PolarHBondContact N-O 3.18Å; Q42-N53 PolarHBondContact NE2-ND2 3.22Å; L44-N53 HydrophobicContact CD1-CB 4.5Å
54	Y	88.8	Confident	87.1	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.5	-178.8	-76.2	-84	0	0	0	110.4	L5 P7 L24 Q42 A43 G45 G47 K49 G50 H52	L5-Y54 HydrophobicContact CB-CD1 3.82Å; L5-Y54 HydrophobicContact CB-CE1 3.64Å; L5-Y54 HydrophobicContact CD1-CE1 4.48Å; L5-Y54 VanDerWaalsContact O-CA 3.23Å; L5-Y54 WeakPolarHBondContact O-CA 3.42Å; L5-Y54 VanDerWaalsContact O-CD1 3.32Å; L5-Y54 WeakPolarHBondContact O-CD1 3.33Å; P7-Y54 HydrophobicContact CB-CD1 3.79Å; P7-Y54 HydrophobicContact CB-CE1 4.46Å; P7-Y54 HydrophobicContact CB-CG 4.2Å; P7-Y54 HydrophobicContact CG-CD1 4.33Å; L24-Y54 HydrophobicContact CD1-CG 4.4Å; L24-Y54 HydrophobicContact CD2-CD1 4.22Å; L24-Y54 HydrophobicContact CD2-CD2 3.36Å; L24-Y54 HydrophobicContact CD2-CE1 4.48Å; L24-Y54 HydrophobicContact CD2-CE2 3.67Å; L24-Y54 HydrophobicContact CD2-CG 3.66Å; Q42-Y54 WeakPolarHBondContact CA-O 3.24Å; A43-Y54 PolarHBondContact N-O 3.37Å; A43-Y54 PolarHBondContact O-N 3.44Å; G45-Y54 WeakPolarHBondContact O-CE2 3.33Å; G47-Y54 WeakPolarHBondContact CA-OH 3.4Å; G47-Y54 PolarHBondContact N-OH 3.01Å; K49-Y54 PolarHBondContact N-OH 3.02Å; G50-Y54 PolarHBondContact O-OH 3.13Å; H52-Y54 HydrophobicContact CB-CE2 4.15Å; H52-Y54 VanDerWaalsContact O-CD2 3.24Å; H52-Y54 WeakPolarHBondContact O-CD2 3.17Å; H52-Y54 PolarHBondContact O-N 2.9Å
55	E	91.9	Very high	87	Confident	72 Å²	72	61.5 Å²	61.5	34%	0.336	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.9	-178.4	-170.1	-176.4	169.3	0	0	110.5	L5 F41	L5-E55 PolarHBondContact O-N 3.26Å; F41-E55 VanDerWaalsContact O-CA 3.27Å; F41-E55 WeakPolarHBondContact O-CA 3.33Å; F41-E55 WeakPolarHBondContact O-CG 3.41Å
56	F	90.6	Very high	86.8	Confident	6 Å²	6	66.7 Å²	66.7	3%	0.026	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153.9	164.5	71.5	-91.2	0	0	0	111.7	P7 V9 V22 L39 F41 L58 F101	P7-F56 HydrophobicContact CG-CD1 3.73Å; P7-F56 HydrophobicContact CG-CE1 4.23Å; V9-F56 HydrophobicContact CG1-CZ 4.39Å; V9-F56 HydrophobicContact CG2-CD1 3.97Å; V9-F56 HydrophobicContact CG2-CE1 3.66Å; V9-F56 HydrophobicContact CG2-CE2 4.4Å; V9-F56 HydrophobicContact CG2-CG 4.46Å; V9-F56 HydrophobicContact CG2-CZ 3.91Å; V22-F56 HydrophobicContact CG1-CE1 4.32Å; V22-F56 HydrophobicContact CG2-CE1 3.81Å; V22-F56 HydrophobicContact CG2-CZ 4.05Å; L39-F56 HydrophobicContact CD2-CE2 3.57Å; L39-F56 HydrophobicContact CD2-CZ 3.88Å; F41-F56 HydrophobicContact CB-CD1 3.76Å; F41-F56 HydrophobicContact CB-CD2 4.45Å; F41-F56 HydrophobicContact CB-CE1 3.34Å; F41-F56 HydrophobicContact CB-CE2 4.1Å; F41-F56 HydrophobicContact CB-CG 4.3Å; F41-F56 HydrophobicContact CB-CZ 3.53Å; F41-F56 AromaticContact CD1-CD1 3.63Å; F41-F56 HydrophobicContact CD1-CD1 3.63Å; F41-F56 AromaticContact CD1-CE1 3.34Å; F41-F56 HydrophobicContact CD1-CE1 3.34Å; F41-F56 HydrophobicContact CD1-CZ 4.32Å; F41-F56 HydrophobicContact CD2-CE1 4.28Å; F41-F56 HydrophobicContact CE1-CE1 4.22Å; F41-F56 AromaticContact CG-CD1 3.98Å; F41-F56 HydrophobicContact CG-CD1 3.98Å; F41-F56 AromaticContact CG-CE1 3.38Å; F41-F56 HydrophobicContact CG-CE1 3.38Å; F41-F56 AromaticContact CG-CZ 3.91Å; F41-F56 HydrophobicContact CG-CZ 3.91Å; F41-F56 PolarHBondContact N-O 2.81Å; F41-F56 PolarHBondContact O-N 3.29Å; F56-L58 HydrophobicContact CD2-CB 4.22Å; F56-L58 HydrophobicContact CE2-CB 4.18Å; F56-F101 HydrophobicContact CB-CE2 4.07Å; F56-F101 HydrophobicContact CB-CZ 4.15Å; F56-F101 AromaticContact CD2-CE2 3.94Å; F56-F101 HydrophobicContact CD2-CE2 3.94Å; F56-F101 HydrophobicContact CD2-CZ 4.36Å; F56-F101 HydrophobicContact CG-CE2 4.13Å
57	S	89.6	Confident	86.6	Confident	62 Å²	62	66 Å²	66	43%	0.434	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.1	170.8	-66.1	0	0	0	0	109.3	L39	L39-S57 CarbonylContact O-C 3.59Å; L39-S57 WeakPolarHBondContact O-CA 3.38Å
58	L	89.4	Confident	86.6	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.016	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	113.6	-178.3	-174.7	73.3	0	0	0	109.9	L20 V38 L39 F56 F60 L92 T93 L102	L20-L58 HydrophobicContact CD1-CD2 4.05Å; L20-L58 HydrophobicContact CD2-CD2 4.14Å; V38-L58 CarbonylContact C-O 3.58Å; V38-L58 WeakPolarHBondContact CA-O 3.36Å; L39-L58 PolarHBondContact N-O 3.35Å; L39-L58 PolarHBondContact O-N 3.41Å; F56-L58 HydrophobicContact CD2-CB 4.22Å; F56-L58 HydrophobicContact CE2-CB 4.18Å; L58-F60 HydrophobicContact CD2-CD1 4.42Å; L58-F60 HydrophobicContact CD2-CE1 3.76Å; L58-F60 HydrophobicContact CD2-CZ 4.28Å; L58-F60 HydrophobicContact CG-CE1 4.43Å; L58-L92 HydrophobicContact CD2-CD2 3.87Å; L58-T93 HydrophobicContact CD1-CG2 3.38Å; L58-T93 HydrophobicContact CG-CG2 4.26Å; L58-L102 HydrophobicContact CD1-CD2 4.33Å
59	E	90.7	Very high	87	Confident	94 Å²	94	64.4 Å²	64.4	44%	0.439	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.9	175.8	-175.3	177.4	-170.4	0	0	110.6	V38 T93 V94	V38-E59 HydrophobicContact CG2-CB 4.09Å; V38-E59 HydrophobicContact CG2-CG 4.03Å; E59-T93 WeakPolarHBondContact O-CA 3.28Å; E59-V94 HydrophobicContact CG-CG2 4.01Å
60	F	90.2	Very high	87.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-81.8	147.5	-177	-64.8	-64.2	0	0	0	112.7	I18 L20 N37 L39 L58 V64 V81 W89 L92 V94	I18-F60 HydrophobicContact CD1-CD1 4.33Å; I18-F60 HydrophobicContact CD1-CE1 4.38Å; L20-F60 HydrophobicContact CD1-CZ 4.38Å; N37-F60 PolarHBondContact ND2-O 3.39Å; N37-F60 WeakPolarHBondContact O-CD2 3.38Å; N37-F60 PolarHBondContact O-N 3.18Å; L39-F60 HydrophobicContact CB-CE2 3.68Å; L39-F60 HydrophobicContact CB-CZ 3.83Å; L39-F60 HydrophobicContact CD1-CE2 4.41Å; L39-F60 HydrophobicContact CD1-CZ 4.16Å; L58-F60 HydrophobicContact CD2-CD1 4.42Å; L58-F60 HydrophobicContact CD2-CE1 3.76Å; L58-F60 HydrophobicContact CD2-CZ 4.28Å; L58-F60 HydrophobicContact CG-CE1 4.43Å; F60-V64 HydrophobicContact CB-CG1 4.23Å; F60-V64 HydrophobicContact CD2-CB 4.28Å; F60-V64 HydrophobicContact CD2-CG1 3.72Å; F60-V64 HydrophobicContact CD2-CG2 3.54Å; F60-V64 HydrophobicContact CE2-CG1 4.17Å; F60-V64 HydrophobicContact CE2-CG2 3.78Å; F60-V64 HydrophobicContact CG-CG1 3.93Å; F60-V81 HydrophobicContact CE2-CG1 4.15Å; F60-V81 HydrophobicContact CZ-CB 4.46Å; F60-V81 HydrophobicContact CZ-CG1 4.22Å; F60-V81 HydrophobicContact CZ-CG2 4.11Å; F60-W89 HydrophobicContact CB-CH2 4.08Å; F60-W89 HydrophobicContact CB-CZ3 3.98Å; F60-W89 HydrophobicContact CD1-CZ3 4.12Å; F60-W89 HydrophobicContact CG-CZ3 4.37Å; F60-L92 WeakPolarHBondContact CA-O 3.49Å; F60-L92 HydrophobicContact CD1-CD1 4.02Å; F60-L92 HydrophobicContact CD1-CG 4.33Å; F60-L92 HydrophobicContact CE1-CD1 4.15Å; F60-V94 VanDerWaalsContact O-CG2 3.23Å; F60-V94 WeakPolarHBondContact O-CG2 3.36Å
61	L	87.4	Confident	87.5	Confident	60 Å²	60	67.8 Å²	67.8	31%	0.314	35%	0.349	S	S	.	.	S	Bend	trans	-59.4	-47.8	177.2	-179	73	0	0	0	112.8	W89 R91 L92	L61-W89 HydrophobicContact CB-CE3 4.39Å; L61-R91 HydrophobicContact CD2-CG 4.06Å; L61-R91 WeakPolarHBondContact CD2-O 3.49Å; L61-L92 PolarHBondContact N-O 3.14Å
62	L	88.3	Confident	87.6	Confident	74 Å²	74	63.9 Å²	63.9	39%	0.387	34%	0.337	S	S	.	.	S	Bend	trans	-120.2	158.7	-177.4	-71.3	173.1	0	0	0	110.4	N37 V64 W89	N37-L62 PolarHBondContact ND2-O 3.45Å; N37-L62 VanDerWaalsContact ND2-O 3.14Å; N37-L62 PolarHBondContact OD1-O 3.31Å; N37-L62 VanDerWaalsContact OD1-O 3.07Å; L62-V64 PolarHBondContact O-N 3.43Å; L62-W89 HydrophobicContact CB-CH2 4.06Å; L62-W89 HydrophobicContact CB-CZ2 3.56Å; L62-W89 HydrophobicContact CD1-CG 4.48Å; L62-W89 VanDerWaalsContact O-CH2 3.25Å; L62-W89 WeakPolarHBondContact O-CH2 3.33Å
63	P	87.6	Confident	87.5	Confident	68 Å²	68	63 Å²	63	44%	0.442	34%	0.337	S	S	.	.			trans	-56.9	132.6	-179	-27.4	36.2	0	0	0	113.9	N37 Q84	N37-P63 VanDerWaalsContact OD1-CA 3.3Å; N37-P63 WeakPolarHBondContact OD1-CA 3.44Å; P63-Q84 HydrophobicContact CB-CB 4.14Å; P63-Q84 WeakPolarHBondContact O-CB 3.32Å; P63-Q84 PolarHBondContact O-N 3.03Å
64	V	90.1	Very high	87.3	Confident	12 Å²	12	68 Å²	68	7%	0.073	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	158.1	172.3	-60.5	0	0	0	0	111.9	I18 V34 N37 F60 L62 V81 W89	I18-V64 HydrophobicContact CD1-CG1 4.34Å; V34-V64 HydrophobicContact CG1-CG2 3.74Å; N37-V64 PolarHBondContact OD1-N 2.95Å; F60-V64 HydrophobicContact CB-CG1 4.23Å; F60-V64 HydrophobicContact CD2-CB 4.28Å; F60-V64 HydrophobicContact CD2-CG1 3.72Å; F60-V64 HydrophobicContact CD2-CG2 3.54Å; F60-V64 HydrophobicContact CE2-CG1 4.17Å; F60-V64 HydrophobicContact CE2-CG2 3.78Å; F60-V64 HydrophobicContact CG-CG1 3.93Å; L62-V64 PolarHBondContact O-N 3.43Å; V64-V81 HydrophobicContact CB-CG1 3.64Å; V64-V81 HydrophobicContact CG1-CG1 3.8Å; V64-V81 HydrophobicContact CG2-CG1 3.9Å; V64-W89 HydrophobicContact CG1-CH2 3.69Å; V64-W89 HydrophobicContact CG1-CZ2 4.37Å
65	K	87.1	Confident	87.1	Confident	99 Å²	99	77 Å²	77	43%	0.43	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	145.4	172.1	-63.2	-175.8	-179	179.6	0	110	E67 R82	K65-E67 VanDerWaalsContact C-N 3.26Å; K65-E67 PolarHBondContact O-N 3.31Å; K65-R82 HydrophobicContact CB-CB 4.31Å; K65-R82 HydrophobicContact CD-CB 4.07Å; K65-R82 HydrophobicContact CG-CB 4.4Å; K65-R82 PolarHBondContact N-O 3.46Å
66	T	82.6	Confident	86.9	Confident	111 Å²	111	76.1 Å²	76.1	68%	0.681	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	-22.1	179.1	48.3	0	0	0	0	113.2	V68	T66-V68 PolarHBondContact O-N 3.08Å
67	E	81.8	Confident	86.9	Confident	149 Å²	149	75.9 Å²	75.9	70%	0.696	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	113.5	175.1	-67.5	179.2	-176.8	0	0	111.2	K65	K65-E67 VanDerWaalsContact C-N 3.26Å; K65-E67 PolarHBondContact O-N 3.31Å
68	V	83.4	Confident	87	Confident	36 Å²	36	74 Å²	74	22%	0.218	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.7	176.8	-175.9	0	0	0	0	110	V32 V34 T66 I79 V81	V32-V68 HydrophobicContact CG1-CG1 3.96Å; V34-V68 HydrophobicContact CB-CG2 3.97Å; V34-V68 HydrophobicContact CG2-CG2 3.31Å; T66-V68 PolarHBondContact O-N 3.08Å; V68-I79 HydrophobicContact CG1-CG2 3.4Å; V68-I79 VanDerWaalsContact CG1-CG2 3.4Å; V68-V81 HydrophobicContact CG1-CG2 4.27Å; V68-V81 HydrophobicContact CG2-CG2 4.49Å
69	S	86.3	Confident	87.1	Confident	66 Å²	66	74 Å²	74	46%	0.462	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.4	171.8	-175.4	0	0	0	0	108.5	T80	S69-T80 PolarHBondContact N-O 3.22Å; S69-T80 VanDerWaalsContact N-O 3.08Å; S69-T80 PolarHBondContact O-N 3.33Å
70	H	86.7	Confident	87.2	Confident	86 Å²	86	71 Å²	71	40%	0.398	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.1	173	70.9	-91.8	0	0	0	110.9	V32 N78 I79	V32-H70 HydrophobicContact CG2-CB 4.39Å; H70-N78 CarbonylContact C-O 3.14Å; H70-N78 VanDerWaalsContact CA-O 3.29Å; H70-N78 WeakPolarHBondContact CA-O 3.18Å; H70-I79 HydrophobicContact CB-CG1 4.21Å
71	K	86.5	Confident	87.2	Confident	149 Å²	149	71 Å²	71	65%	0.648	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	114.6	175.1	-69	-176.1	-179.6	179.5	0	108.5	N78	K71-N78 PolarHBondContact N-O 3.28Å; K71-N78 PolarHBondContact O-N 3.43Å
72	S	85.6	Confident	87.4	Confident	56 Å²	56	74 Å²	74	39%	0.392	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	141.3	173.3	-167.6	0	0	0	0	110.7	I30	I30-S72 VanDerWaalsContact CD1-CB 3.47Å; I30-S72 WeakPolarHBondContact CD1-OG 3.39Å
73	T	84.9	Confident	87.5	Confident	63 Å²	63	70.9 Å²	70.9	39%	0.387	35%	0.351	S	S	.	.			trans	-125.2	170.2	168.6	62.4	0	0	0	0	108.5	R75 Q76	T73-R75 PolarHBondContact O-N 3.14Å; T73-Q76 PolarHBondContact N-O 2.81Å; T73-Q76 WeakPolarHBondContact OG1-CG 3.36Å; T73-Q76 PolarHBondContact OG1-N 2.92Å; T73-Q76 PolarHBondContact OG1-O 2.94Å
74	Q	83.1	Confident	87.5	Confident	158 Å²	158	73.6 Å²	73.6	74%	0.738	36%	0.358	S	S	*	.	S	Bend	trans	-58.2	-21.4	178.2	-69.2	177.8	-14.5	0	0	113.8	T25 D26	T25-Q74 WeakPolarHBondContact CA-O 3.48Å; D26-Q74 PolarHBondContact N-O 3.37Å
75	R	84.7	Confident	87.4	Confident	192 Å²	192	80.2 Å²	80.2	73%	0.725	39%	0.388	S	S	*	.	S	Bend	trans	-115.8	-19.1	-172.5	-63.2	-176.7	179.4	177.6	-1.5	115.3	L24 T73	L24-R75 CarbonylContact C-O 3.54Å; L24-R75 CarbonylContact O-C 3.52Å; L24-R75 VanDerWaalsContact O-O 3.13Å; T73-R75 PolarHBondContact O-N 3.14Å
76	Q	89.3	Confident	87.4	Confident	55 Å²	55	82.1 Å²	82.1	26%	0.257	39%	0.393	S	S	.	.			trans	-160.4	156.9	-172.5	59.6	-173.5	62.6	0	0	111.5	R21 V22 L24 T73 N78	R21-Q76 HydrophobicContact CG-CB 4.32Å; V22-Q76 WeakPolarHBondContact O-CA 3.45Å; V22-Q76 WeakPolarHBondContact O-CB 3.34Å; L24-Q76 WeakPolarHBondContact O-CA 3.36Å; L24-Q76 PolarHBondContact O-N 3.47Å; T73-Q76 PolarHBondContact N-O 2.81Å; T73-Q76 WeakPolarHBondContact OG1-CG 3.36Å; T73-Q76 PolarHBondContact OG1-N 2.92Å; T73-Q76 PolarHBondContact OG1-O 2.94Å; Q76-N78 PolarHBondContact NE2-ND2 2.92Å; Q76-N78 PolarHBondContact NE2-OD1 3.47Å
77	V	90	Very high	87.4	Confident	0 Å²	0	78 Å²	78	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.9	170.7	-173.8	0	0	0	0	108.8	V22 A27 I30 F41 I79	V22-V77 HydrophobicContact CB-CB 4.25Å; V22-V77 PolarHBondContact N-O 2.56Å; V22-V77 PolarHBondContact O-N 2.87Å; A27-V77 HydrophobicContact CB-CG2 3.63Å; I30-V77 HydrophobicContact CD1-CG1 4.2Å; I30-V77 HydrophobicContact CD1-CG2 3.87Å; I30-V77 HydrophobicContact CG2-CG1 4.34Å; F41-V77 HydrophobicContact CE2-CB 4.47Å; F41-V77 HydrophobicContact CE2-CG1 4.07Å; F41-V77 HydrophobicContact CZ-CB 4.5Å; F41-V77 HydrophobicContact CZ-CG2 4.46Å; V77-I79 HydrophobicContact CG1-CG1 4.18Å
78	N	91.3	Very high	87.7	Confident	24 Å²	24	73.9 Å²	73.9	13%	0.128	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.2	176	-64.8	-40.7	0	0	0	109.2	L20 H70 K71 Q76	L20-N78 CarbonylContact O-C 3.59Å; H70-N78 CarbonylContact C-O 3.14Å; H70-N78 VanDerWaalsContact CA-O 3.29Å; H70-N78 WeakPolarHBondContact CA-O 3.18Å; K71-N78 PolarHBondContact N-O 3.28Å; K71-N78 PolarHBondContact O-N 3.43Å; Q76-N78 PolarHBondContact NE2-ND2 2.92Å; Q76-N78 PolarHBondContact NE2-OD1 3.47Å
79	I	91.9	Very high	88	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.9	178.4	-53.4	168.2	0	0	0	107.3	L20 V22 V32 L39 F41 V68 H70 V77 V81	L20-I79 HydrophobicContact CB-CB 4.18Å; L20-I79 PolarHBondContact N-O 3.18Å; L20-I79 PolarHBondContact O-N 3.01Å; V22-I79 HydrophobicContact CG2-CD1 3.87Å; V32-I79 HydrophobicContact CG1-CD1 4.25Å; V32-I79 HydrophobicContact CG1-CG2 4.15Å; V32-I79 HydrophobicContact CG2-CD1 4.34Å; L39-I79 HydrophobicContact CD1-CG2 4.14Å; F41-I79 HydrophobicContact CD2-CD1 3.5Å; F41-I79 VanDerWaalsContact CD2-CD1 3.5Å; F41-I79 HydrophobicContact CE2-CD1 3.88Å; F41-I79 HydrophobicContact CG-CD1 4.39Å; V68-I79 HydrophobicContact CG1-CG2 3.4Å; V68-I79 VanDerWaalsContact CG1-CG2 3.4Å; H70-I79 HydrophobicContact CB-CG1 4.21Å; V77-I79 HydrophobicContact CG1-CG1 4.18Å; I79-V81 HydrophobicContact CG2-CG2 4.17Å
80	T	92.1	Very high	87.8	Confident	31 Å²	31	78.4 Å²	78.4	19%	0.19	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.7	175.1	-57.9	0	0	0	0	108.7	E17 I18 Y19 S69	E17-T80 HydrophobicContact CB-CG2 4.25Å; E17-T80 HydrophobicContact CG-CG2 4.41Å; I18-T80 WeakPolarHBondContact O-CA 3.31Å; Y19-T80 HydrophobicContact CD1-CG2 3.95Å; Y19-T80 HydrophobicContact CE1-CG2 3.67Å; S69-T80 PolarHBondContact N-O 3.22Å; S69-T80 VanDerWaalsContact N-O 3.08Å; S69-T80 PolarHBondContact O-N 3.33Å
81	V	91.3	Very high	87.7	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.6	178.1	-178.1	0	0	0	0	108.7	E17 I18 L39 F60 V64 V68 I79	E17-V81 CarbonylContact C-O 3.53Å; E17-V81 WeakPolarHBondContact CA-O 3.42Å; I18-V81 HydrophobicContact CB-CB 4.4Å; I18-V81 PolarHBondContact N-O 3.3Å; I18-V81 PolarHBondContact O-N 2.94Å; L39-V81 HydrophobicContact CD1-CG2 3.64Å; F60-V81 HydrophobicContact CE2-CG1 4.15Å; F60-V81 HydrophobicContact CZ-CB 4.46Å; F60-V81 HydrophobicContact CZ-CG1 4.22Å; F60-V81 HydrophobicContact CZ-CG2 4.11Å; V64-V81 HydrophobicContact CB-CG1 3.64Å; V64-V81 HydrophobicContact CG1-CG1 3.8Å; V64-V81 HydrophobicContact CG2-CG1 3.9Å; V68-V81 HydrophobicContact CG1-CG2 4.27Å; V68-V81 HydrophobicContact CG2-CG2 4.49Å; I79-V81 HydrophobicContact CG2-CG2 4.17Å
82	R	90.6	Very high	87.6	Confident	124 Å²	124	71.6 Å²	71.6	47%	0.468	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.3	176.8	-81.7	179.6	170	-176.8	-3.5	111.1	E17 K65	E17-R82 HydrophobicContact CG-CG 4.1Å; E17-R82 IonicContact OE1-CZ 2.83Å; E17-R82 IonicContact OE1-NE 3.29Å; E17-R82 PolarHBondContact OE1-NE 2.92Å; E17-R82 IonicContact OE1-NH2 2.62Å; K65-R82 HydrophobicContact CB-CB 4.31Å; K65-R82 HydrophobicContact CD-CB 4.07Å; K65-R82 HydrophobicContact CG-CB 4.4Å; K65-R82 PolarHBondContact N-O 3.46Å
83	K	91.1	Very high	87.6	Confident	8 Å²	8	69.5 Å²	69.5	4%	0.035	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	146.9	173.3	-59.6	177.4	171.6	179.2	0	109.6	R14 E16 I18 Q85 G87 W89	R14-K83 WeakPolarHBondContact O-CE 3.33Å; R14-K83 PolarHBondContact O-NZ 2.98Å; E16-K83 PolarHBondContact O-N 3.38Å; I18-K83 HydrophobicContact CD1-CG 4.04Å; I18-K83 HydrophobicContact CG1-CD 4.39Å; I18-K83 HydrophobicContact CG1-CG 4Å; K83-Q85 WeakPolarHBondContact CB-O 3.34Å; K83-G87 PolarHBondContact NZ-O 2.64Å; K83-W89 HydrophobicContact CB-CZ2 4.24Å; K83-W89 HydrophobicContact CD-CD2 4.46Å; K83-W89 HydrophobicContact CD-CZ2 4Å; K83-W89 HydrophobicContact CG-CH2 4.46Å; K83-W89 HydrophobicContact CG-CZ2 3.71Å
84	Q	88.3	Confident	87.5	Confident	125 Å²	125	69.7 Å²	69.7	58%	0.584	31%	0.314	S	S	*	.	S	Bend	trans	-74.6	-37.7	174.6	-171.1	167.6	2.6	0	0	111.5	P63	P63-Q84 HydrophobicContact CB-CB 4.14Å; P63-Q84 WeakPolarHBondContact O-CB 3.32Å; P63-Q84 PolarHBondContact O-N 3.03Å
85	Q	86.9	Confident	87.3	Confident	152 Å²	152	67.3 Å²	67.3	71%	0.71	31%	0.306	S	S	*	.	S	Bend	trans	-114.9	139	174	-65.6	-177.9	-9.4	0	0	110.2	K83 G87	K83-Q85 WeakPolarHBondContact CB-O 3.34Å; Q85-G87 PolarHBondContact O-N 3.33Å
86	R	86.2	Confident	86.6	Confident	139 Å²	139	66.5 Å²	66.5	53%	0.525	31%	0.31	S	S	.	.			trans	-71.3	126.9	174.9	-178.3	176.2	165.6	178.6	-10.4	108.9	H15 E16	H15-R86 HydrophobicContact CB-CG 3.9Å; H15-R86 CarbonylContact O-C 3.5Å; H15-R86 WeakPolarHBondContact O-CA 3.39Å; E16-R86 HydrophobicContact CG-CB 4.45Å; E16-R86 HydrophobicContact CG-CG 3.98Å; E16-R86 IonicContact OE1-NH1 3.32Å
87	G	84.6	Confident	85.8	Confident	24 Å²	24	74.7 Å²	74.7	25%	0.247	34%	0.339	C	S	.	.			trans	170.5	156.1	178.7	0	0	0	0	0	113.1	H15 K83 Q85	H15-G87 PolarHBondContact O-N 3.38Å; K83-G87 PolarHBondContact NZ-O 2.64Å; Q85-G87 PolarHBondContact O-N 3.33Å
88	W	86.9	Confident	85.1	Confident	63 Å²	63	80.3 Å²	80.3	24%	0.239	36%	0.363	C	S	.	.			trans	-78.3	135.2	173.3	-162.2	-105	0	0	0	110.4	Q13 L110 E112 A115	Q13-W88 HydrophobicContact CG-CD2 4.47Å; Q13-W88 HydrophobicContact CG-CE3 4.33Å; Q13-W88 HydrophobicContact CG-CH2 3.83Å; Q13-W88 HydrophobicContact CG-CZ2 3.99Å; Q13-W88 HydrophobicContact CG-CZ3 4.02Å; Q13-W88 VanDerWaalsContact NE2-CE2 3.32Å; W88-L110 WeakPolarHBondContact CH2-O 2.94Å; W88-L110 WeakPolarHBondContact CZ2-O 3.25Å; W88-E112 HydrophobicContact CB-CG 4.11Å; W88-E112 WeakPolarHBondContact CB-OE1 3.47Å; W88-E112 HydrophobicContact CD2-CB 3.93Å; W88-E112 HydrophobicContact CD2-CG 4.12Å; W88-E112 HydrophobicContact CE3-CB 4.25Å; W88-E112 HydrophobicContact CE3-CG 4.32Å; W88-E112 HydrophobicContact CG-CB 4.14Å; W88-E112 HydrophobicContact CG-CG 4.02Å; W88-A115 HydrophobicContact CZ3-CB 3.82Å
89	W	88.8	Confident	84.6	Confident	8 Å²	8	80.4 Å²	80.4	3%	0.03	37%	0.365	C	S	.	.			trans	-104.8	124.4	178.3	-61.4	1.3	0	0	0	109.3	Q13 I18 F60 L61 L62 V64 K83 R91 L92	Q13-W89 PolarHBondContact NE2-O 3Å; I18-W89 HydrophobicContact CD1-CD2 4.45Å; I18-W89 HydrophobicContact CD1-CE3 3.87Å; I18-W89 HydrophobicContact CD1-CH2 3.46Å; I18-W89 VanDerWaalsContact CD1-CH2 3.46Å; I18-W89 HydrophobicContact CD1-CZ2 4.06Å; I18-W89 HydrophobicContact CD1-CZ3 3.33Å; F60-W89 HydrophobicContact CB-CH2 4.08Å; F60-W89 HydrophobicContact CB-CZ3 3.98Å; F60-W89 HydrophobicContact CD1-CZ3 4.12Å; F60-W89 HydrophobicContact CG-CZ3 4.37Å; L61-W89 HydrophobicContact CB-CE3 4.39Å; L62-W89 HydrophobicContact CB-CH2 4.06Å; L62-W89 HydrophobicContact CB-CZ2 3.56Å; L62-W89 HydrophobicContact CD1-CG 4.48Å; L62-W89 VanDerWaalsContact O-CH2 3.25Å; L62-W89 WeakPolarHBondContact O-CH2 3.33Å; V64-W89 HydrophobicContact CG1-CH2 3.69Å; V64-W89 HydrophobicContact CG1-CZ2 4.37Å; K83-W89 HydrophobicContact CB-CZ2 4.24Å; K83-W89 HydrophobicContact CD-CD2 4.46Å; K83-W89 HydrophobicContact CD-CZ2 4Å; K83-W89 HydrophobicContact CG-CH2 4.46Å; K83-W89 HydrophobicContact CG-CZ2 3.71Å; W89-R91 PolarHBondContact O-N 3.43Å; W89-L92 HydrophobicContact CE3-CD1 4.24Å; W89-L92 HydrophobicContact CZ3-CD1 4.23Å
90	E	83.4	Confident	84.3	Confident	188 Å²	188	87.3 Å²	87.3	88%	0.879	41%	0.407	S	S	*	.	S	Bend	trans	-63.1	-24.3	175.5	-63.2	-179	175.4	0	0	112.2
91	R	84.1	Confident	84	Confident	87 Å²	87	87.6 Å²	87.6	33%	0.328	41%	0.406	S	S	.	.			trans	-153.9	146.4	-175.9	33.8	-175.8	-70.1	-168.6	-3.7	111	L61 W89 T93 V94 L95	L61-R91 HydrophobicContact CD2-CG 4.06Å; L61-R91 WeakPolarHBondContact CD2-O 3.49Å; W89-R91 PolarHBondContact O-N 3.43Å; R91-T93 PolarHBondContact NE-O 2.99Å; R91-T93 PolarHBondContact NH2-O 3.43Å; R91-T93 VanDerWaalsContact NH2-O 3.09Å; R91-V94 VanDerWaalsContact NH2-C 3.26Å; R91-V94 PolarHBondContact NH2-O 3.5Å; R91-L95 VanDerWaalsContact NH2-C 3.26Å; R91-L95 PolarHBondContact NH2-O 3.49Å
92	L	84.8	Confident	83.9	Confident	5 Å²	5	87.8 Å²	87.8	3%	0.026	41%	0.407	C	S	.	.	S	Bend	trans	-80	-36.9	-176.1	-172.4	67.7	0	0	0	113.1	W11 I18 L20 L58 F60 L61 W89 L102	W11-L92 HydrophobicContact CB-CD2 4Å; W11-L92 HydrophobicContact CD2-CB 4.2Å; W11-L92 HydrophobicContact CD2-CD2 3.73Å; W11-L92 HydrophobicContact CD2-CG 4.39Å; W11-L92 HydrophobicContact CE3-CB 4.11Å; W11-L92 HydrophobicContact CE3-CD1 3.93Å; W11-L92 HydrophobicContact CE3-CD2 3.93Å; W11-L92 HydrophobicContact CE3-CG 4.21Å; W11-L92 HydrophobicContact CG-CD2 3.74Å; W11-L92 HydrophobicContact CH2-CB 4.09Å; W11-L92 HydrophobicContact CZ2-CB 4.17Å; W11-L92 HydrophobicContact CZ3-CB 4.05Å; W11-L92 HydrophobicContact CZ3-CD1 4.17Å; I18-L92 HydrophobicContact CD1-CD1 3.98Å; I18-L92 HydrophobicContact CG2-CD1 3.72Å; L20-L92 HydrophobicContact CD2-CD2 4.15Å; L58-L92 HydrophobicContact CD2-CD2 3.87Å; F60-L92 WeakPolarHBondContact CA-O 3.49Å; F60-L92 HydrophobicContact CD1-CD1 4.02Å; F60-L92 HydrophobicContact CD1-CG 4.33Å; F60-L92 HydrophobicContact CE1-CD1 4.15Å; L61-L92 PolarHBondContact N-O 3.14Å; W89-L92 HydrophobicContact CE3-CD1 4.24Å; W89-L92 HydrophobicContact CZ3-CD1 4.23Å; L92-L102 HydrophobicContact CD2-CD1 4.24Å; L92-L102 HydrophobicContact CD2-CD2 3.9Å
93	T	86.2	Confident	83.8	Confident	12 Å²	12	83.8 Å²	83.8	7%	0.074	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-112.8	151.3	-171.3	55.3	0	0	0	0	113.4	L58 E59 R91 L95 L102	L58-T93 HydrophobicContact CD1-CG2 3.38Å; L58-T93 HydrophobicContact CG-CG2 4.26Å; E59-T93 WeakPolarHBondContact O-CA 3.28Å; R91-T93 PolarHBondContact NE-O 2.99Å; R91-T93 PolarHBondContact NH2-O 3.43Å; R91-T93 VanDerWaalsContact NH2-O 3.09Å; T93-L95 VanDerWaalsContact C-N 3.27Å; T93-L95 PolarHBondContact O-N 2.91Å; T93-L95 PolarHBondContact OG1-O 3.49Å; T93-L102 HydrophobicContact CG2-CD2 4.48Å
94	V	82.4	Confident	83.7	Confident	67 Å²	67	84.9 Å²	84.9	41%	0.406	40%	0.404	S	S	.	.	S	Bend	trans	-64.8	-31.4	172.1	-176.7	0	0	0	0	111.8	E59 F60 R91 E96	E59-V94 HydrophobicContact CG-CG2 4.01Å; F60-V94 VanDerWaalsContact O-CG2 3.23Å; F60-V94 WeakPolarHBondContact O-CG2 3.36Å; R91-V94 VanDerWaalsContact NH2-C 3.26Å; R91-V94 PolarHBondContact NH2-O 3.5Å; V94-E96 PolarHBondContact O-N 2.82Å
95	L	77.9	Confident	83.7	Confident	109 Å²	109	79 Å²	79	57%	0.571	38%	0.377	S	S	*	.	S	Bend	trans	-67.9	129.9	175.5	-63.3	173.5	0	0	0	111.2	R91 T93 R97	R91-L95 VanDerWaalsContact NH2-C 3.26Å; R91-L95 PolarHBondContact NH2-O 3.49Å; T93-L95 VanDerWaalsContact C-N 3.27Å; T93-L95 PolarHBondContact O-N 2.91Å; T93-L95 PolarHBondContact OG1-O 3.49Å; L95-R97 VanDerWaalsContact C-N 3.3Å
96	E	69.8	Low	83.6	Confident	174 Å²	174	79.4 Å²	79.4	81%	0.813	38%	0.376	S	S	*	.	S	Bend	trans	-67.9	-32.7	174.4	-65.5	-171.3	159.4	0	0	112.1	V94	V94-E96 PolarHBondContact O-N 2.82Å
97	R	73.3	Confident	83.5	Confident	227 Å²	227	78.8 Å²	78.8	86%	0.857	38%	0.383	S	S	*	.	S	Bend	trans	-85.2	115.6	173.5	-69	-173.6	179.8	-174.8	0.6	109.6	L95	L95-R97 VanDerWaalsContact C-N 3.3Å
98	K	75	Confident	83.3	Confident	118 Å²	118	81.7 Å²	81.7	51%	0.513	39%	0.387	S	S	.	.			trans	-59.1	128.4	176.1	-179.4	-177.3	168.2	-162.7	0	111	L102	K98-L102 WeakPolarHBondContact CE-O 3.43Å; K98-L102 PolarHBondContact NZ-O 2.97Å
99	P	82.1	Confident	83.1	Confident	26 Å²	26	83.9 Å²	83.9	17%	0.169	40%	0.395	C	S	.	.			trans	-59.7	137.8	173.8	-22	32	0	0	0	111.8	F101 L102	P99-F101 HydrophobicContact CB-CD1 3.77Å; P99-F101 HydrophobicContact CB-CE1 3.41Å; P99-F101 VanDerWaalsContact CB-CE1 3.41Å; P99-F101 HydrophobicContact CB-CE2 4.5Å; P99-F101 HydrophobicContact CB-CG 4.46Å; P99-F101 HydrophobicContact CB-CZ 3.81Å; P99-F101 HydrophobicContact CG-CE1 4.33Å; P99-F101 HydrophobicContact CG-CZ 4.38Å; P99-F101 PolarHBondContact O-N 2.97Å; P99-F101 VanDerWaalsContact O-N 3.16Å; P99-L102 HydrophobicContact CB-CB 4.39Å; P99-L102 PolarHBondContact O-N 3.39Å; P99-L102 VanDerWaalsContact O-N 3.11Å
100	V	83.6	Confident	82.9	Confident	147 Å²	147	85.1 Å²	85.1	89%	0.891	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.3	-174.7	-177.6	0	0	0	0	112.5
101	F	86.6	Confident	83	Confident	36 Å²	36	79.7 Å²	79.7	16%	0.158	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.3	-178.3	67.4	-97.5	0	0	0	114.3	P7 V9 F56 P99	P7-F101 WeakPolarHBondContact O-CB 3.36Å; V9-F101 HydrophobicContact CB-CD2 4.33Å; V9-F101 HydrophobicContact CG2-CD2 4.02Å; V9-F101 HydrophobicContact CG2-CE2 4.41Å; V9-F101 PolarHBondContact N-O 3.36Å; F56-F101 HydrophobicContact CB-CE2 4.07Å; F56-F101 HydrophobicContact CB-CZ 4.15Å; F56-F101 AromaticContact CD2-CE2 3.94Å; F56-F101 HydrophobicContact CD2-CE2 3.94Å; F56-F101 HydrophobicContact CD2-CZ 4.36Å; F56-F101 HydrophobicContact CG-CE2 4.13Å; P99-F101 HydrophobicContact CB-CD1 3.77Å; P99-F101 HydrophobicContact CB-CE1 3.41Å; P99-F101 VanDerWaalsContact CB-CE1 3.41Å; P99-F101 HydrophobicContact CB-CE2 4.5Å; P99-F101 HydrophobicContact CB-CG 4.46Å; P99-F101 HydrophobicContact CB-CZ 3.81Å; P99-F101 HydrophobicContact CG-CE1 4.33Å; P99-F101 HydrophobicContact CG-CZ 4.38Å; P99-F101 PolarHBondContact O-N 2.97Å; P99-F101 VanDerWaalsContact O-N 3.16Å
102	L	89.1	Confident	83	Confident	5 Å²	5	79.9 Å²	79.9	3%	0.026	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.6	-175.5	-173	70	0	0	0	110.3	V9 W11 L58 L92 T93 K98 P99	V9-L102 HydrophobicContact CB-CD1 4.29Å; V9-L102 HydrophobicContact CG1-CD1 4.17Å; V9-L102 CarbonylContact O-C 3.46Å; V9-L102 WeakPolarHBondContact O-CA 3.37Å; W11-L102 HydrophobicContact CB-CD1 4.1Å; W11-L102 HydrophobicContact CG-CD1 4.09Å; W11-L102 HydrophobicContact CG-CG 4.42Å; L58-L102 HydrophobicContact CD1-CD2 4.33Å; L92-L102 HydrophobicContact CD2-CD1 4.24Å; L92-L102 HydrophobicContact CD2-CD2 3.9Å; T93-L102 HydrophobicContact CG2-CD2 4.48Å; K98-L102 WeakPolarHBondContact CE-O 3.43Å; K98-L102 PolarHBondContact NZ-O 2.97Å; P99-L102 HydrophobicContact CB-CB 4.39Å; P99-L102 PolarHBondContact O-N 3.39Å; P99-L102 VanDerWaalsContact O-N 3.11Å
103	V	89.5	Confident	82.9	Confident	39 Å²	39	82.6 Å²	82.6	24%	0.236	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.3	-178.3	-176.4	0	0	0	0	110	L8 V9 Y10 W11	L8-V103 HydrophobicContact CD1-CG2 3.8Å; L8-V103 HydrophobicContact CG-CG2 4.49Å; V9-V103 PolarHBondContact O-N 3.44Å; Y10-V103 CarbonylContact C-O 3.54Å; Y10-V103 WeakPolarHBondContact CA-O 3.4Å; Y10-V103 HydrophobicContact CD1-CB 4.02Å; Y10-V103 HydrophobicContact CD1-CG1 4.08Å; Y10-V103 HydrophobicContact CE1-CB 4.14Å; Y10-V103 HydrophobicContact CE1-CG1 3.98Å; W11-V103 VanDerWaalsContact CD1-O 3.22Å; W11-V103 PolarHBondContact N-O 3.08Å
104	P	87.9	Confident	82.9	Confident	32 Å²	32	85 Å²	85	21%	0.208	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.6	171.3	-23.8	35.4	0	0	0	111.9	F106 W109	P104-F106 HydrophobicContact CB-CE2 4.5Å; P104-F106 HydrophobicContact CB-CZ 4.43Å; P104-F106 PolarHBondContact O-N 3.48Å; P104-W109 HydrophobicContact CB-CE3 3.96Å; P104-W109 HydrophobicContact CB-CZ3 3.87Å
105	D	89	Confident	82.8	Confident	1 Å²	1	82 Å²	82	1%	0.005	40%	0.397	C	S	.	.			trans	-84.2	88.8	172.4	-168.1	-9.5	0	0	0	109.8	W11 A12 R21 D107 R108 W109	W11-D105 PolarHBondContact O-N 3.48Å; A12-D105 HydrophobicContact CB-CB 4.14Å; R21-D105 IonicContact CZ-OD1 2.78Å; R21-D105 VanDerWaalsContact CZ-OD1 3.24Å; R21-D105 IonicContact CZ-OD2 3.18Å; R21-D105 IonicContact NE-OD2 2.95Å; R21-D105 IonicContact NH1-OD1 3.96Å; R21-D105 PolarHBondContact NH1-OD1 3.4Å; R21-D105 IonicContact NH1-OD2 3.93Å; R21-D105 PolarHBondContact NH1-OD2 2.86Å; R21-D105 IonicContact NH2-OD1 3.76Å; R21-D105 PolarHBondContact NH2-OD1 3.01Å; D105-D107 PolarHBondContact O-N 2.9Å; D105-D107 WeakPolarHBondContact OD1-CB 3.31Å; D105-D107 PolarHBondContact OD1-N 3.33Å; D105-R108 CarbonylContact O-C 3.58Å; D105-R108 PolarHBondContact O-N 2.9Å; D105-R108 VanDerWaalsContact O-N 3.1Å; D105-W109 WeakPolarHBondContact O-CB 3.46Å; D105-W109 PolarHBondContact O-N 3.48Å
106	F	84.8	Confident	83.2	Confident	160 Å²	160	81.8 Å²	81.8	70%	0.702	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.7	179.4	-67.4	-75.4	0	0	0	113.4	P104 R108	P104-F106 HydrophobicContact CB-CE2 4.5Å; P104-F106 HydrophobicContact CB-CZ 4.43Å; P104-F106 PolarHBondContact O-N 3.48Å; F106-R108 PolarHBondContact O-N 3Å
107	D	82.8	Confident	83.9	Confident	126 Å²	126	78.5 Å²	78.5	67%	0.674	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.8	179.2	-57.1	-43	0	0	0	112.2	R21 D105	R21-D107 IonicContact CZ-OD2 3.25Å; R21-D107 IonicContact NH1-OD2 3.95Å; R21-D107 PolarHBondContact NH1-OD2 3.21Å; R21-D107 IonicContact NH2-OD2 2.87Å; R21-D107 PolarHBondContact NH2-OD2 3.49Å; R21-D107 VanDerWaalsContact NH2-OD2 3.13Å; D105-D107 PolarHBondContact O-N 2.9Å; D105-D107 WeakPolarHBondContact OD1-CB 3.31Å; D105-D107 PolarHBondContact OD1-N 3.33Å
108	R	81.1	Confident	84.4	Confident	86 Å²	86	71.2 Å²	71.2	33%	0.325	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	0.5	-178.3	-65.4	-174.8	177.8	-166.5	4.3	113.3	A12 R14 D105 F106 L110	A12-R108 HydrophobicContact CB-CB 3.84Å; R14-R108 PolarHBondContact NH1-O 3.21Å; R14-R108 PolarHBondContact NH2-O 3Å; D105-R108 CarbonylContact O-C 3.58Å; D105-R108 PolarHBondContact O-N 2.9Å; D105-R108 VanDerWaalsContact O-N 3.1Å; F106-R108 PolarHBondContact O-N 3Å; R108-L110 PolarHBondContact O-N 2.97Å
109	W	83.9	Confident	84.9	Confident	109 Å²	109	67.4 Å²	67.4	41%	0.413	34%	0.34	S	S	.	.			trans	-66.3	128.8	-177.4	-163.6	-90.6	0	0	0	109.8	W11 P104 D105	W11-W109 HydrophobicContact CH2-CH2 4.06Å; W11-W109 HydrophobicContact CH2-CZ3 4.19Å; W11-W109 HydrophobicContact CZ2-CH2 4.01Å; W11-W109 HydrophobicContact CZ2-CZ3 4.03Å; P104-W109 HydrophobicContact CB-CE3 3.96Å; P104-W109 HydrophobicContact CB-CZ3 3.87Å; D105-W109 WeakPolarHBondContact O-CB 3.46Å; D105-W109 PolarHBondContact O-N 3.48Å
110	L	82.9	Confident	85.1	Confident	33 Å²	33	71.1 Å²	71.1	17%	0.173	36%	0.355	C	S	.	.			trans	-128.2	153.2	167.2	-71.8	-178.1	0	0	0	106.9	W88 R108 D114 A115 E118	W88-L110 WeakPolarHBondContact CH2-O 2.94Å; W88-L110 WeakPolarHBondContact CZ2-O 3.25Å; R108-L110 PolarHBondContact O-N 2.97Å; L110-D114 HydrophobicContact CB-CB 4.26Å; L110-D114 HydrophobicContact CD2-CB 4Å; L110-A115 HydrophobicContact CB-CB 4.47Å; L110-E118 HydrophobicContact CD1-CG 4.4Å; L110-E118 WeakPolarHBondContact CD1-OE1 3.17Å
111	D	85.9	Confident	85.2	Confident	74 Å²	74	69.2 Å²	69.2	40%	0.396	34%	0.337	S	S	.	.			trans	-80.5	172.1	163.5	66.1	22.4	0	0	0	110.8	S113 D114 A115	D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact OD1-N 3.39Å; D111-S113 PolarHBondContact OD1-OG 3.13Å; D111-S113 PolarHBondContact OD2-OG 3.32Å; D111-D114 WeakPolarHBondContact OD1-CB 3.41Å; D111-D114 PolarHBondContact OD1-N 2.86Å; D111-A115 WeakPolarHBondContact O-CB 3.48Å; D111-A115 PolarHBondContact O-N 3.24Å
112	E	84	Confident	85.2	Confident	91 Å²	91	73.7 Å²	73.7	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-45.3	-178.2	-174.2	171	-155.8	0	0	110.9	W88 D114 A115 E116	W88-E112 HydrophobicContact CB-CG 4.11Å; W88-E112 WeakPolarHBondContact CB-OE1 3.47Å; W88-E112 HydrophobicContact CD2-CB 3.93Å; W88-E112 HydrophobicContact CD2-CG 4.12Å; W88-E112 HydrophobicContact CE3-CB 4.25Å; W88-E112 HydrophobicContact CE3-CG 4.32Å; W88-E112 HydrophobicContact CG-CB 4.14Å; W88-E112 HydrophobicContact CG-CG 4.02Å; E112-D114 PolarHBondContact O-N 3.32Å; E112-A115 PolarHBondContact O-N 3.1Å; E112-E116 WeakPolarHBondContact O-CG 3.35Å; E112-E116 PolarHBondContact O-N 3.44Å
113	S	82.4	Confident	85.1	Confident	62 Å²	62	78 Å²	78	43%	0.434	38%	0.376	S	S	.	.	H	α-helix	trans	-59.9	-45.6	179	36.2	0	0	0	0	113.3	D111 A115 E116 M117	D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact OD1-N 3.39Å; D111-S113 PolarHBondContact OD1-OG 3.13Å; D111-S113 PolarHBondContact OD2-OG 3.32Å; S113-A115 VanDerWaalsContact C-N 3.34Å; S113-E116 PolarHBondContact O-N 3.34Å; S113-M117 WeakPolarHBondContact O-CG 3.31Å; S113-M117 PolarHBondContact O-N 3.09Å
114	D	85.8	Confident	85	Confident	64 Å²	64	79.3 Å²	79.3	34%	0.342	38%	0.382	S	S	.	.	H	α-helix	trans	-66.5	-40.1	178.4	-72.7	-18	0	0	0	110.8	L110 D111 E112 E116 M117 E118	L110-D114 HydrophobicContact CB-CB 4.26Å; L110-D114 HydrophobicContact CD2-CB 4Å; D111-D114 WeakPolarHBondContact OD1-CB 3.41Å; D111-D114 PolarHBondContact OD1-N 2.86Å; E112-D114 PolarHBondContact O-N 3.32Å; D114-E116 VanDerWaalsContact C-N 3.31Å; D114-E116 PolarHBondContact O-N 3.01Å; D114-M117 HydrophobicContact CB-CE 4.46Å; D114-M117 PolarHBondContact O-N 3.44Å; D114-M117 WeakPolarHBondContact OD1-CE 3.14Å; D114-E118 PolarHBondContact O-N 3.05Å
115	A	81.9	Confident	85	Confident	2 Å²	2	83.3 Å²	83.3	2%	0.017	40%	0.396	C	S	.	.	H	α-helix	trans	-66.8	-31	176	0	0	0	0	0	112.6	W88 L110 D111 E112 S113 I119	W88-A115 HydrophobicContact CZ3-CB 3.82Å; L110-A115 HydrophobicContact CB-CB 4.47Å; D111-A115 WeakPolarHBondContact O-CB 3.48Å; D111-A115 PolarHBondContact O-N 3.24Å; E112-A115 PolarHBondContact O-N 3.1Å; S113-A115 VanDerWaalsContact C-N 3.34Å; A115-I119 WeakPolarHBondContact O-CD1 3.47Å; A115-I119 WeakPolarHBondContact O-CG1 3.23Å
116	E	86	Confident	84.9	Confident	105 Å²	105	89.3 Å²	89.3	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-70.9	-44.7	171.3	-72.3	-174.2	158	0	0	111.9	E112 S113 D114 E118 I119 Q120	E112-E116 WeakPolarHBondContact O-CG 3.35Å; E112-E116 PolarHBondContact O-N 3.44Å; S113-E116 PolarHBondContact O-N 3.34Å; D114-E116 VanDerWaalsContact C-N 3.31Å; D114-E116 PolarHBondContact O-N 3.01Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 3.15Å; E116-I119 WeakPolarHBondContact O-CB 3.45Å; E116-I119 PolarHBondContact O-N 3.4Å; E116-Q120 PolarHBondContact O-N 3.49Å
117	M	83.7	Confident	85	Confident	105 Å²	105	85.5 Å²	85.5	52%	0.517	41%	0.409	S	S	.	.	H	α-helix	trans	-57.9	-42.9	176.3	-74.6	-167.3	-67.3	0	0	112	S113 D114 I119 Q120 E121	S113-M117 WeakPolarHBondContact O-CG 3.31Å; S113-M117 PolarHBondContact O-N 3.09Å; D114-M117 HydrophobicContact CB-CE 4.46Å; D114-M117 PolarHBondContact O-N 3.44Å; D114-M117 WeakPolarHBondContact OD1-CE 3.14Å; M117-I119 VanDerWaalsContact C-N 3.25Å; M117-I119 PolarHBondContact O-N 2.97Å; M117-Q120 PolarHBondContact O-N 3.15Å; M117-E121 WeakPolarHBondContact O-CG 3.28Å; M117-E121 PolarHBondContact O-N 2.87Å
118	E	85.1	Confident	85.1	Confident	75 Å²	75	88.3 Å²	88.3	35%	0.35	41%	0.41	S	S	.	.	H	α-helix	trans	-58.8	-36.1	175.7	-79.5	-165.8	170	0	0	113	R14 L110 D114 E116 K122	R14-E118 IonicContact NE-OE2 3.64Å; L110-E118 HydrophobicContact CD1-CG 4.4Å; L110-E118 WeakPolarHBondContact CD1-OE1 3.17Å; D114-E118 PolarHBondContact O-N 3.05Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 3.15Å; E118-K122 WeakPolarHBondContact O-CB 3.16Å; E118-K122 WeakPolarHBondContact O-CD 3.34Å; E118-K122 VanDerWaalsContact O-CG 3.22Å; E118-K122 WeakPolarHBondContact O-CG 3.26Å; E118-K122 PolarHBondContact O-N 3.35Å; E118-K122 IonicContact OE2-NZ 3.94Å
119	I	84.7	Confident	85.3	Confident	38 Å²	38	89.2 Å²	89.2	20%	0.195	42%	0.421	C	S	.	.	H	α-helix	trans	-70.7	-47.5	178.1	-65.2	167.7	0	0	0	109.3	H15 A115 E116 M117 E121 K122 E123	H15-I119 HydrophobicContact CB-CD1 4.1Å; A115-I119 WeakPolarHBondContact O-CD1 3.47Å; A115-I119 WeakPolarHBondContact O-CG1 3.23Å; E116-I119 WeakPolarHBondContact O-CB 3.45Å; E116-I119 PolarHBondContact O-N 3.4Å; M117-I119 VanDerWaalsContact C-N 3.25Å; M117-I119 PolarHBondContact O-N 2.97Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.1Å; I119-K122 PolarHBondContact O-N 3.39Å; I119-K122 VanDerWaalsContact O-N 3.13Å; I119-E123 HydrophobicContact CG2-CG 4.49Å; I119-E123 WeakPolarHBondContact O-CG 3.1Å; I119-E123 PolarHBondContact O-N 3.49Å
120	Q	85.6	Confident	85.2	Confident	104 Å²	104	89.7 Å²	89.7	49%	0.486	43%	0.426	S	S	.	.	H	α-helix	trans	-57.9	-46	178.2	-171.3	62.7	25	0	0	111.3	E116 M117 K122 E123 D124	E116-Q120 PolarHBondContact O-N 3.49Å; M117-Q120 PolarHBondContact O-N 3.15Å; Q120-K122 VanDerWaalsContact C-N 3.33Å; Q120-K122 PolarHBondContact O-N 3.26Å; Q120-E123 PolarHBondContact O-N 2.96Å; Q120-D124 PolarHBondContact NE2-OD1 3.02Å; Q120-D124 WeakPolarHBondContact O-CB 3.33Å; Q120-D124 PolarHBondContact O-N 3.47Å
121	E	86.9	Confident	85.1	Confident	106 Å²	106	92.4 Å²	92.4	50%	0.495	44%	0.444	S	S	.	.	H	α-helix	trans	-61.1	-40.3	176.5	-76.9	-164.3	-178.6	0	0	113.1	M117 I119 K125	M117-E121 WeakPolarHBondContact O-CG 3.28Å; M117-E121 PolarHBondContact O-N 2.87Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.1Å; E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.29Å; E121-K125 WeakPolarHBondContact O-CD 3.33Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.36Å; E121-K125 IonicContact OE2-NZ 3.59Å; E121-K125 PolarHBondContact OE2-NZ 2.9Å; E121-K125 VanDerWaalsContact OE2-NZ 3.14Å
122	K	85.7	Confident	84.8	Confident	131 Å²	131	92.7 Å²	92.7	57%	0.57	45%	0.448	S	S	*	.	H	α-helix	trans	-66.1	-40.7	177.9	-77.5	169.9	-174.9	162.5	0	110.8	E118 I119 Q120 K126	E118-K122 WeakPolarHBondContact O-CB 3.16Å; E118-K122 WeakPolarHBondContact O-CD 3.34Å; E118-K122 VanDerWaalsContact O-CG 3.22Å; E118-K122 WeakPolarHBondContact O-CG 3.26Å; E118-K122 PolarHBondContact O-N 3.35Å; E118-K122 IonicContact OE2-NZ 3.94Å; I119-K122 PolarHBondContact O-N 3.39Å; I119-K122 VanDerWaalsContact O-N 3.13Å; Q120-K122 VanDerWaalsContact C-N 3.33Å; Q120-K122 PolarHBondContact O-N 3.26Å; K122-K126 WeakPolarHBondContact O-CB 3.27Å; K122-K126 PolarHBondContact O-N 2.78Å
123	E	86.8	Confident	84.2	Confident	96 Å²	96	96.2 Å²	96.2	45%	0.449	46%	0.457	S	S	.	.	H	α-helix	trans	-66.2	-44.5	175.3	-71.2	-167.2	170.7	0	0	111.8	I119 Q120 K125 K126 N127	I119-E123 HydrophobicContact CG2-CG 4.49Å; I119-E123 WeakPolarHBondContact O-CG 3.1Å; I119-E123 PolarHBondContact O-N 3.49Å; Q120-E123 PolarHBondContact O-N 2.96Å; E123-K125 PolarHBondContact O-N 3.48Å; E123-K126 CarbonylContact O-C 3.58Å; E123-K126 WeakPolarHBondContact O-CB 3.47Å; E123-K126 PolarHBondContact O-N 3.43Å; E123-N127 WeakPolarHBondContact O-CB 3.33Å; E123-N127 VanDerWaalsContact O-CG 3.28Å; E123-N127 PolarHBondContact O-N 2.89Å; E123-N127 PolarHBondContact O-ND2 3.33Å
124	D	88.5	Confident	83.7	Confident	65 Å²	65	99.9 Å²	99.9	35%	0.348	47%	0.468	S	S	.	.	H	α-helix	trans	-62.3	-44.1	176.7	-76	-14.5	0	0	0	111.8	Q120 K126 N127 R128	Q120-D124 PolarHBondContact NE2-OD1 3.02Å; Q120-D124 WeakPolarHBondContact O-CB 3.33Å; Q120-D124 PolarHBondContact O-N 3.47Å; D124-K126 VanDerWaalsContact C-N 3.33Å; D124-K126 PolarHBondContact O-N 2.83Å; D124-N127 PolarHBondContact O-N 3.02Å; D124-R128 WeakPolarHBondContact O-CB 3.45Å; D124-R128 VanDerWaalsContact O-CG 3.28Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 3.16Å
125	K	87.5	Confident	83	Confident	117 Å²	117	101.3 Å²	101.3	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-59.2	-45.1	173.7	-76.5	167.5	-174.9	157.3	0	110.8	E121 E123 R128 L129	E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.29Å; E121-K125 WeakPolarHBondContact O-CD 3.33Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.36Å; E121-K125 IonicContact OE2-NZ 3.59Å; E121-K125 PolarHBondContact OE2-NZ 2.9Å; E121-K125 VanDerWaalsContact OE2-NZ 3.14Å; E123-K125 PolarHBondContact O-N 3.48Å; K125-R128 PolarHBondContact O-N 3.45Å; K125-L129 WeakPolarHBondContact O-CB 3.46Å; K125-L129 WeakPolarHBondContact O-CD1 3.43Å; K125-L129 WeakPolarHBondContact O-CG 3.04Å; K125-L129 PolarHBondContact O-N 3.41Å
126	K	86.6	Confident	82.5	Confident	126 Å²	126	107.1 Å²	107.1	55%	0.548	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-40.1	177.8	-172.5	179.8	-177.1	-179.4	0	111.8	K122 E123 D124 L129 K130	K122-K126 WeakPolarHBondContact O-CB 3.27Å; K122-K126 PolarHBondContact O-N 2.78Å; E123-K126 CarbonylContact O-C 3.58Å; E123-K126 WeakPolarHBondContact O-CB 3.47Å; E123-K126 PolarHBondContact O-N 3.43Å; D124-K126 VanDerWaalsContact C-N 3.33Å; D124-K126 PolarHBondContact O-N 2.83Å; K126-L129 PolarHBondContact O-N 2.87Å; K126-K130 WeakPolarHBondContact O-CG 3.4Å; K126-K130 PolarHBondContact O-N 3.4Å
127	N	86.8	Confident	81.8	Confident	81 Å²	81	108.4 Å²	108.4	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-66.9	-46.5	177.1	-73.5	-18.1	0	0	0	111	E123 D124 L129 K130 T131	E123-N127 WeakPolarHBondContact O-CB 3.33Å; E123-N127 VanDerWaalsContact O-CG 3.28Å; E123-N127 PolarHBondContact O-N 2.89Å; E123-N127 PolarHBondContact O-ND2 3.33Å; D124-N127 PolarHBondContact O-N 3.02Å; N127-L129 VanDerWaalsContact C-N 3.33Å; N127-L129 PolarHBondContact O-N 3.33Å; N127-K130 WeakPolarHBondContact O-CB 3.28Å; N127-K130 PolarHBondContact O-N 3.01Å; N127-K130 VanDerWaalsContact O-N 3.13Å; N127-T131 PolarHBondContact O-N 3Å; N127-T131 PolarHBondContact O-OG1 3.47Å
128	R	84.9	Confident	81.3	Confident	184 Å²	184	104.9 Å²	104.9	69%	0.694	50%	0.502	S	S	*	.	H	α-helix	trans	-56.2	-46.1	173.7	-71.4	176	-172.9	-163.2	4.6	111.9	D124 K125 K130 T131 V132	D124-R128 WeakPolarHBondContact O-CB 3.45Å; D124-R128 VanDerWaalsContact O-CG 3.28Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 3.16Å; K125-R128 PolarHBondContact O-N 3.45Å; R128-K130 PolarHBondContact O-N 3.25Å; R128-T131 PolarHBondContact O-N 3.42Å; R128-V132 VanDerWaalsContact O-CG2 3.3Å; R128-V132 WeakPolarHBondContact O-CG2 3.16Å; R128-V132 PolarHBondContact O-N 3.19Å
129	L	85.1	Confident	80.6	Confident	106 Å²	106	106.9 Å²	106.9	56%	0.555	51%	0.51	S	S	*	.	H	α-helix	trans	-61.2	-41.2	176.5	-81.7	155.3	0	0	0	112.6	K125 K126 N127 R133	K125-L129 WeakPolarHBondContact O-CB 3.46Å; K125-L129 WeakPolarHBondContact O-CD1 3.43Å; K125-L129 WeakPolarHBondContact O-CG 3.04Å; K125-L129 PolarHBondContact O-N 3.41Å; K126-L129 PolarHBondContact O-N 2.87Å; N127-L129 VanDerWaalsContact C-N 3.33Å; N127-L129 PolarHBondContact O-N 3.33Å; L129-R133 WeakPolarHBondContact O-CG 3.3Å; L129-R133 PolarHBondContact O-N 2.83Å; L129-R133 VanDerWaalsContact O-N 3.1Å
130	K	82.9	Confident	80	Confident	118 Å²	118	111.9 Å²	111.9	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-65.5	-43.8	175.4	-75.6	174.7	176.8	-177.7	0	111.9	K126 N127 R128 R133 H134	K126-K130 WeakPolarHBondContact O-CG 3.4Å; K126-K130 PolarHBondContact O-N 3.4Å; N127-K130 WeakPolarHBondContact O-CB 3.28Å; N127-K130 PolarHBondContact O-N 3.01Å; N127-K130 VanDerWaalsContact O-N 3.13Å; R128-K130 PolarHBondContact O-N 3.25Å; K130-R133 PolarHBondContact O-N 3.37Å; K130-H134 PolarHBondContact O-N 3.42Å
131	T	80.7	Confident	79.7	Confident	90 Å²	90	110 Å²	110	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-61.3	-47.1	177.9	-54.4	0	0	0	0	110.8	N127 R128 R133 H134 T135	N127-T131 PolarHBondContact O-N 3Å; N127-T131 PolarHBondContact O-OG1 3.47Å; R128-T131 PolarHBondContact O-N 3.42Å; T131-R133 VanDerWaalsContact C-N 3.35Å; T131-R133 PolarHBondContact O-N 3.02Å; T131-H134 PolarHBondContact O-N 3.44Å; T131-T135 PolarHBondContact O-N 3.42Å; T131-T135 PolarHBondContact O-OG1 3.48Å
132	V	78.3	Confident	79.6	Confident	80 Å²	80	110.9 Å²	110.9	49%	0.485	54%	0.536	S	S	.	.	H	α-helix	trans	-58.1	-46.7	176.8	172.8	0	0	0	0	111	R128 H134 T135 E136	R128-V132 VanDerWaalsContact O-CG2 3.3Å; R128-V132 WeakPolarHBondContact O-CG2 3.16Å; R128-V132 PolarHBondContact O-N 3.19Å; V132-H134 PolarHBondContact O-N 3.38Å; V132-T135 PolarHBondContact O-N 3.03Å; V132-E136 HydrophobicContact CG1-CG 4.45Å; V132-E136 WeakPolarHBondContact O-CB 3.21Å; V132-E136 WeakPolarHBondContact O-CG 3.43Å; V132-E136 PolarHBondContact O-N 3.25Å
133	R	72.6	Confident	79.5	Confident	165 Å²	165	108.1 Å²	108.1	62%	0.623	52%	0.524	S	S	*	.	H	α-helix	trans	-59.2	-45.9	176.5	-75.1	179.1	-176.6	-172.9	0.7	112.4	L129 K130 T131 T135 E136 E137	L129-R133 WeakPolarHBondContact O-CG 3.3Å; L129-R133 PolarHBondContact O-N 2.83Å; L129-R133 VanDerWaalsContact O-N 3.1Å; K130-R133 PolarHBondContact O-N 3.37Å; T131-R133 VanDerWaalsContact C-N 3.35Å; T131-R133 PolarHBondContact O-N 3.02Å; R133-T135 VanDerWaalsContact C-N 3.35Å; R133-T135 PolarHBondContact O-N 3.34Å; R133-E136 PolarHBondContact O-N 3.26Å; R133-E137 WeakPolarHBondContact O-CB 3.47Å; R133-E137 WeakPolarHBondContact O-CG 3.27Å; R133-E137 PolarHBondContact O-N 3.42Å
134	H	72.1	Confident	79.4	Confident	140 Å²	140	105.2 Å²	105.2	65%	0.648	51%	0.513	S	S	*	.	H	α-helix	trans	-66.6	-36.7	-179.5	-164.1	-70.7	0	0	0	112.2	K130 T131 V132 G138	K130-H134 PolarHBondContact O-N 3.42Å; T131-H134 PolarHBondContact O-N 3.44Å; V132-H134 PolarHBondContact O-N 3.38Å; H134-G138 PolarHBondContact O-N 3.08Å
135	T	70.2	Confident	79.3	Confident	93 Å²	93	105 Å²	105	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-67.4	-42	174	-55.7	0	0	0	0	111.5	T131 V132 R133 G138 F139	T131-T135 PolarHBondContact O-N 3.42Å; T131-T135 PolarHBondContact O-OG1 3.48Å; V132-T135 PolarHBondContact O-N 3.03Å; R133-T135 VanDerWaalsContact C-N 3.35Å; R133-T135 PolarHBondContact O-N 3.34Å; T135-G138 PolarHBondContact O-N 3.13Å; T135-F139 VanDerWaalsContact O-CB 3.3Å; T135-F139 WeakPolarHBondContact O-CB 3.28Å; T135-F139 PolarHBondContact O-N 3.33Å
136	E	71.4	Confident	79.4	Confident	125 Å²	125	104.3 Å²	104.3	58%	0.584	51%	0.514	S	S	*	.	H	α-helix	trans	-63.9	-44.2	175.5	-76.3	-175.1	166.9	0	0	112.1	V132 R133 F139 F140	V132-E136 HydrophobicContact CG1-CG 4.45Å; V132-E136 WeakPolarHBondContact O-CB 3.21Å; V132-E136 WeakPolarHBondContact O-CG 3.43Å; V132-E136 PolarHBondContact O-N 3.25Å; R133-E136 PolarHBondContact O-N 3.26Å; E136-F139 PolarHBondContact O-N 3.43Å; E136-F140 VanDerWaalsContact O-CB 3.26Å; E136-F140 WeakPolarHBondContact O-CB 3.37Å; E136-F140 PolarHBondContact O-N 2.7Å
137	E	71.8	Confident	79.5	Confident	131 Å²	131	99.6 Å²	99.6	61%	0.612	49%	0.494	S	S	*	.	H	α-helix	trans	-62.9	-44.5	175.8	-75.6	176.4	-172.6	0	0	111.7	R133 F140 S141	R133-E137 WeakPolarHBondContact O-CB 3.47Å; R133-E137 WeakPolarHBondContact O-CG 3.27Å; R133-E137 PolarHBondContact O-N 3.42Å; E137-F140 PolarHBondContact O-N 2.96Å; E137-S141 WeakPolarHBondContact O-CB 3.43Å; E137-S141 PolarHBondContact O-N 3.39Å
138	G	72.8	Confident	79.6	Confident	31 Å²	31	97.9 Å²	97.9	32%	0.32	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-45.5	175.3	0	0	0	0	0	112.4	H134 T135 F140 S141 L142	H134-G138 PolarHBondContact O-N 3.08Å; T135-G138 PolarHBondContact O-N 3.13Å; G138-F140 PolarHBondContact O-N 3.34Å; G138-S141 WeakPolarHBondContact O-CB 3.4Å; G138-S141 PolarHBondContact O-N 3.11Å; G138-L142 WeakPolarHBondContact O-CG 3.37Å; G138-L142 PolarHBondContact O-N 3.33Å
139	F	70.8	Confident	79.9	Confident	118 Å²	118	93.2 Å²	93.2	52%	0.518	48%	0.477	S	S	.	.	H	α-helix	trans	-65.5	-39	176.9	-174.6	-122.5	0	0	0	112.4	T135 E136 S141 L142 K143	T135-F139 VanDerWaalsContact O-CB 3.3Å; T135-F139 WeakPolarHBondContact O-CB 3.28Å; T135-F139 PolarHBondContact O-N 3.33Å; E136-F139 PolarHBondContact O-N 3.43Å; F139-S141 VanDerWaalsContact C-N 3.33Å; F139-L142 PolarHBondContact O-N 3.16Å; F139-K143 HydrophobicContact CD1-CD 4.06Å; F139-K143 HydrophobicContact CE1-CD 3.92Å; F139-K143 HydrophobicContact CZ-CD 4.18Å; F139-K143 WeakPolarHBondContact O-CB 3.49Å; F139-K143 WeakPolarHBondContact O-CG 3.27Å; F139-K143 PolarHBondContact O-N 2.82Å
140	F	73.2	Confident	80.2	Confident	142 Å²	142	89.1 Å²	89.1	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-63.3	-41.1	173.8	-174.2	-95.8	0	0	0	111.4	E136 E137 G138 T144	E136-F140 VanDerWaalsContact O-CB 3.26Å; E136-F140 WeakPolarHBondContact O-CB 3.37Å; E136-F140 PolarHBondContact O-N 2.7Å; E137-F140 PolarHBondContact O-N 2.96Å; G138-F140 PolarHBondContact O-N 3.34Å; F140-T144 WeakPolarHBondContact O-CB 3.28Å; F140-T144 PolarHBondContact O-N 2.99Å; F140-T144 PolarHBondContact O-OG1 3.13Å
141	S	79.3	Confident	80.6	Confident	66 Å²	66	84 Å²	84	46%	0.462	43%	0.432	S	S	.	.	H	α-helix	trans	-64.8	-45.4	176.5	-175.5	0	0	0	0	112.1	E137 G138 F139 T144 S145	E137-S141 WeakPolarHBondContact O-CB 3.43Å; E137-S141 PolarHBondContact O-N 3.39Å; G138-S141 WeakPolarHBondContact O-CB 3.4Å; G138-S141 PolarHBondContact O-N 3.11Å; F139-S141 VanDerWaalsContact C-N 3.33Å; S141-T144 PolarHBondContact O-N 2.88Å; S141-S145 VanDerWaalsContact O-CB 3.3Å; S141-S145 WeakPolarHBondContact O-CB 3.39Å; S141-S145 PolarHBondContact O-N 2.8Å; S141-S145 PolarHBondContact O-OG 3.18Å
142	L	83.9	Confident	81.2	Confident	123 Å²	123	83.3 Å²	83.3	64%	0.644	43%	0.425	S	S	*	.	H	α-helix	trans	-63.1	-45.3	176.8	-71.6	176.1	0	0	0	112	G138 F139 T144 S145 F146	G138-L142 WeakPolarHBondContact O-CG 3.37Å; G138-L142 PolarHBondContact O-N 3.33Å; F139-L142 PolarHBondContact O-N 3.16Å; L142-T144 PolarHBondContact O-N 3.33Å; L142-S145 PolarHBondContact O-N 3.41Å; L142-F146 VanDerWaalsContact O-CB 3.3Å; L142-F146 WeakPolarHBondContact O-CB 3.16Å; L142-F146 PolarHBondContact O-N 2.88Å
143	K	84.1	Confident	81.9	Confident	73 Å²	73	82.5 Å²	82.5	32%	0.317	42%	0.42	S	S	.	.	H	α-helix	trans	-58.4	-47.2	174.8	-79.9	178.3	165.8	178.5	0	112	F139 S145 F146 L147	F139-K143 HydrophobicContact CD1-CD 4.06Å; F139-K143 HydrophobicContact CE1-CD 3.92Å; F139-K143 HydrophobicContact CZ-CD 4.18Å; F139-K143 WeakPolarHBondContact O-CB 3.49Å; F139-K143 WeakPolarHBondContact O-CG 3.27Å; F139-K143 PolarHBondContact O-N 2.82Å; K143-S145 VanDerWaalsContact C-N 3.35Å; K143-F146 PolarHBondContact O-N 2.89Å; K143-L147 WeakPolarHBondContact O-CB 3.33Å; K143-L147 VanDerWaalsContact O-CG 3.28Å; K143-L147 WeakPolarHBondContact O-CG 3.43Å; K143-L147 PolarHBondContact O-N 2.88Å
144	T	84.7	Confident	82.9	Confident	35 Å²	35	74.6 Å²	74.6	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-64.4	-42.5	-179.6	-56.5	0	0	0	0	110.9	F140 S141 L142 L147 L148 C263	F140-T144 WeakPolarHBondContact O-CB 3.28Å; F140-T144 PolarHBondContact O-N 2.99Å; F140-T144 PolarHBondContact O-OG1 3.13Å; S141-T144 PolarHBondContact O-N 2.88Å; L142-T144 PolarHBondContact O-N 3.33Å; T144-L147 PolarHBondContact O-N 3.43Å; T144-L148 VanDerWaalsContact O-CB 3.27Å; T144-L148 WeakPolarHBondContact O-CB 3.45Å; T144-L148 PolarHBondContact O-N 3.03Å; T144-C263 HydrophobicContact CG2-CB 4.03Å
145	S	86.2	Confident	83.9	Confident	60 Å²	60	70.6 Å²	70.6	42%	0.42	37%	0.371	S	S	.	.	H	α-helix	trans	-64.9	-45.7	177.9	-58	0	0	0	0	111.7	S141 L142 K143 L148 V149	S141-S145 VanDerWaalsContact O-CB 3.3Å; S141-S145 WeakPolarHBondContact O-CB 3.39Å; S141-S145 PolarHBondContact O-N 2.8Å; S141-S145 PolarHBondContact O-OG 3.18Å; L142-S145 PolarHBondContact O-N 3.41Å; K143-S145 VanDerWaalsContact C-N 3.35Å; S145-L148 PolarHBondContact O-N 3.46Å; S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 3.3Å
146	F	89.3	Confident	85	Confident	103 Å²	103	71.1 Å²	71.1	45%	0.452	37%	0.37	S	S	.	.	H	α-helix	trans	-59.3	-49	175.5	172	-101.4	0	0	0	111.8	L142 K143 L148 V149 Y150 V197	L142-F146 VanDerWaalsContact O-CB 3.3Å; L142-F146 WeakPolarHBondContact O-CB 3.16Å; L142-F146 PolarHBondContact O-N 2.88Å; K143-F146 PolarHBondContact O-N 2.89Å; F146-L148 VanDerWaalsContact C-N 3.29Å; F146-L148 PolarHBondContact O-N 2.86Å; F146-V149 PolarHBondContact O-N 3.34Å; F146-Y150 WeakPolarHBondContact O-CB 3.37Å; F146-Y150 PolarHBondContact O-N 3.5Å; F146-V197 HydrophobicContact CZ-CG1 4.09Å
147	L	88.7	Confident	86.1	Confident	27 Å²	27	65.7 Å²	65.7	14%	0.141	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-38.8	177.3	-72.6	172	0	0	0	111.6	K143 T144 N151 V206 V207	K143-L147 WeakPolarHBondContact O-CB 3.33Å; K143-L147 VanDerWaalsContact O-CG 3.28Å; K143-L147 WeakPolarHBondContact O-CG 3.43Å; K143-L147 PolarHBondContact O-N 2.88Å; T144-L147 PolarHBondContact O-N 3.43Å; L147-N151 WeakPolarHBondContact O-CB 3.16Å; L147-N151 VanDerWaalsContact O-CG 3.3Å; L147-N151 PolarHBondContact O-N 2.79Å; L147-N151 PolarHBondContact O-ND2 3.28Å; L147-V206 HydrophobicContact CD1-CG1 4.13Å; L147-V206 HydrophobicContact CD2-CG1 4.16Å; L147-V206 HydrophobicContact CG-CG1 4.31Å; L147-V207 HydrophobicContact CD1-CG2 4.39Å; L147-V207 HydrophobicContact CD2-CG2 3.85Å
148	L	89.7	Confident	87.1	Confident	46 Å²	46	59.5 Å²	59.5	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-64.8	-50.5	178.3	-177.1	148.1	0	0	0	111.5	T144 S145 F146 Y150 N151 L152 F264	T144-L148 VanDerWaalsContact O-CB 3.27Å; T144-L148 WeakPolarHBondContact O-CB 3.45Å; T144-L148 PolarHBondContact O-N 3.03Å; S145-L148 PolarHBondContact O-N 3.46Å; F146-L148 VanDerWaalsContact C-N 3.29Å; F146-L148 PolarHBondContact O-N 2.86Å; L148-Y150 VanDerWaalsContact C-N 3.34Å; L148-Y150 PolarHBondContact O-N 3.47Å; L148-N151 PolarHBondContact O-N 3.04Å; L148-L152 VanDerWaalsContact O-CB 3.29Å; L148-L152 WeakPolarHBondContact O-CB 3.34Å; L148-L152 PolarHBondContact O-N 3.01Å; L148-F264 HydrophobicContact CD1-CD2 4.45Å; L148-F264 HydrophobicContact CD1-CE1 4.2Å; L148-F264 HydrophobicContact CD1-CE2 3.45Å; L148-F264 VanDerWaalsContact CD1-CE2 3.45Å; L148-F264 HydrophobicContact CD1-CZ 3.31Å
149	V	90.6	Very high	88	Confident	86 Å²	86	59.8 Å²	59.8	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-45.5	178.4	173	0	0	0	0	110.4	S145 F146 N151 L152 V153	S145-V149 WeakPolarHBondContact O-CG2 3.39Å; S145-V149 PolarHBondContact O-N 3.3Å; F146-V149 PolarHBondContact O-N 3.34Å; V149-N151 PolarHBondContact O-N 3.21Å; V149-L152 PolarHBondContact O-N 3.01Å; V149-V153 HydrophobicContact CG1-CG2 4.43Å; V149-V153 WeakPolarHBondContact O-CG2 3.38Å; V149-V153 PolarHBondContact O-N 3.03Å
150	Y	91.6	Very high	89.1	Confident	19 Å²	19	59.7 Å²	59.7	8%	0.075	31%	0.312	C	S	.	.	H	α-helix	trans	-55.8	-53.6	176.5	175.3	-95.6	0	0	0	112.2	F146 L148 L152 V153 Q154 L194 A195 V197 E198 Y256	F146-Y150 WeakPolarHBondContact O-CB 3.37Å; F146-Y150 PolarHBondContact O-N 3.5Å; L148-Y150 VanDerWaalsContact C-N 3.34Å; L148-Y150 PolarHBondContact O-N 3.47Å; Y150-L152 VanDerWaalsContact C-N 3.26Å; Y150-L152 PolarHBondContact O-N 3.09Å; Y150-V153 PolarHBondContact O-N 3.23Å; Y150-Q154 HydrophobicContact CE1-CG 4Å; Y150-Q154 HydrophobicContact CE2-CG 4.2Å; Y150-Q154 WeakPolarHBondContact O-CG 3.18Å; Y150-Q154 PolarHBondContact O-N 3.26Å; Y150-Q154 VanDerWaalsContact O-N 3.09Å; Y150-Q154 PolarHBondContact OH-NE2 3.31Å; Y150-Q154 VanDerWaalsContact OH-NE2 3.09Å; Y150-L194 HydrophobicContact CE2-CB 4.41Å; Y150-L194 WeakPolarHBondContact CE2-O 3.3Å; Y150-L194 PolarHBondContact OH-O 2.95Å; Y150-A195 WeakPolarHBondContact OH-CA 3.2Å; Y150-V197 HydrophobicContact CD2-CB 4.48Å; Y150-V197 HydrophobicContact CD2-CG1 4.32Å; Y150-V197 HydrophobicContact CE2-CB 3.79Å; Y150-V197 HydrophobicContact CE2-CG1 4.09Å; Y150-V197 HydrophobicContact CE2-CG2 4.44Å; Y150-E198 HydrophobicContact CE1-CG 3.8Å; Y150-E198 WeakPolarHBondContact OH-CG 3.39Å; Y150-E198 PolarHBondContact OH-OE1 3.48Å; Y150-Y256 HydrophobicContact CE1-CE1 4.41Å
151	N	91.6	Very high	90	Very high	11 Å²	11	53 Å²	53	6%	0.059	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-31.1	-178.7	-72.3	-59.9	0	0	0	111.8	L147 L148 V149 F155 Y256 Y259 I260	L147-N151 WeakPolarHBondContact O-CB 3.16Å; L147-N151 VanDerWaalsContact O-CG 3.3Å; L147-N151 PolarHBondContact O-N 2.79Å; L147-N151 PolarHBondContact O-ND2 3.28Å; L148-N151 PolarHBondContact O-N 3.04Å; V149-N151 PolarHBondContact O-N 3.21Å; N151-F155 VanDerWaalsContact O-CB 3.3Å; N151-F155 WeakPolarHBondContact O-CB 3.35Å; N151-F155 PolarHBondContact O-N 2.8Å; N151-Y256 HydrophobicContact CB-CD1 4.32Å; N151-Y256 WeakPolarHBondContact OD1-CD1 3.42Å; N151-Y259 WeakPolarHBondContact OD1-CB 3.5Å; N151-Y259 WeakPolarHBondContact OD1-CD2 3.38Å; N151-I260 HydrophobicContact CB-CD1 4.4Å; N151-I260 HydrophobicContact CB-CG1 3.65Å
152	L	91.8	Very high	90.7	Very high	76 Å²	76	52.2 Å²	52.2	40%	0.398	27%	0.271	S	S	.	.	H	α-helix	trans	-68	-48.1	176.2	-177	65.6	0	0	0	111.8	L148 V149 Y150 Q154 F155 L156 I260	L148-L152 VanDerWaalsContact O-CB 3.29Å; L148-L152 WeakPolarHBondContact O-CB 3.34Å; L148-L152 PolarHBondContact O-N 3.01Å; V149-L152 PolarHBondContact O-N 3.01Å; Y150-L152 VanDerWaalsContact C-N 3.26Å; Y150-L152 PolarHBondContact O-N 3.09Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-Q154 PolarHBondContact O-N 3.16Å; L152-F155 PolarHBondContact O-N 3.49Å; L152-L156 HydrophobicContact CG-CD1 4.26Å; L152-L156 WeakPolarHBondContact O-CG 3.08Å; L152-L156 PolarHBondContact O-N 2.91Å; L152-I260 HydrophobicContact CD1-CD1 4.41Å
153	V	93.9	Very high	91.1	Very high	62 Å²	62	50.1 Å²	50.1	38%	0.376	26%	0.263	S	S	.	.	H	α-helix	trans	-58.8	-45.9	177.3	170.6	0	0	0	0	110.4	V149 Y150 F155 L156 G157 F190 L194	V149-V153 HydrophobicContact CG1-CG2 4.43Å; V149-V153 WeakPolarHBondContact O-CG2 3.38Å; V149-V153 PolarHBondContact O-N 3.03Å; Y150-V153 PolarHBondContact O-N 3.23Å; V153-F155 PolarHBondContact O-N 2.97Å; V153-L156 PolarHBondContact O-N 3.01Å; V153-G157 PolarHBondContact O-N 3.42Å; V153-F190 HydrophobicContact CG1-CE1 4.32Å; V153-L194 HydrophobicContact CG1-CD1 3.98Å
154	Q	92.9	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-43.1	176.7	-73.9	-72.2	15.2	0	0	112.6	Y150 L152 L156 G157 F158 C191 L194 Y256	Y150-Q154 HydrophobicContact CE1-CG 4Å; Y150-Q154 HydrophobicContact CE2-CG 4.2Å; Y150-Q154 WeakPolarHBondContact O-CG 3.18Å; Y150-Q154 PolarHBondContact O-N 3.26Å; Y150-Q154 VanDerWaalsContact O-N 3.09Å; Y150-Q154 PolarHBondContact OH-NE2 3.31Å; Y150-Q154 VanDerWaalsContact OH-NE2 3.09Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-Q154 PolarHBondContact O-N 3.16Å; Q154-L156 PolarHBondContact O-N 3.45Å; Q154-G157 PolarHBondContact O-N 3.18Å; Q154-F158 VanDerWaalsContact O-CD2 3.31Å; Q154-F158 WeakPolarHBondContact O-CD2 3.47Å; Q154-F158 PolarHBondContact O-N 2.88Å; Q154-F158 VanDerWaalsContact OE1-CE2 3.29Å; Q154-C191 PolarHBondContact NE2-O 3.27Å; Q154-C191 PolarHBondContact OE1-O 2.79Å; Q154-L194 VanDerWaalsContact NE2-C 3.34Å; Q154-Y256 HydrophobicContact CB-CD1 3.61Å; Q154-Y256 HydrophobicContact CB-CD2 3.88Å; Q154-Y256 HydrophobicContact CB-CE1 3.35Å; Q154-Y256 HydrophobicContact CB-CE2 3.63Å; Q154-Y256 HydrophobicContact CB-CG 3.86Å; Q154-Y256 HydrophobicContact CG-CD1 4.35Å; Q154-Y256 HydrophobicContact CG-CE1 3.67Å; Q154-Y256 HydrophobicContact CG-CE2 4.38Å
155	F	93.3	Very high	91.6	Very high	56 Å²	56	46.6 Å²	46.6	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-46	176.6	176.9	-116.2	0	0	0	112	N151 L152 V153 S159 P257 I260	N151-F155 VanDerWaalsContact O-CB 3.3Å; N151-F155 WeakPolarHBondContact O-CB 3.35Å; N151-F155 PolarHBondContact O-N 2.8Å; L152-F155 PolarHBondContact O-N 3.49Å; V153-F155 PolarHBondContact O-N 2.97Å; F155-S159 WeakPolarHBondContact O-CB 3.4Å; F155-S159 PolarHBondContact O-N 3.43Å; F155-P257 HydrophobicContact CD2-CG 3.41Å; F155-P257 VanDerWaalsContact CD2-CG 3.41Å; F155-P257 HydrophobicContact CE2-CG 3.29Å; F155-P257 HydrophobicContact CG-CG 4.16Å; F155-P257 HydrophobicContact CZ-CG 3.96Å; F155-I260 HydrophobicContact CB-CD1 4.39Å
156	L	93.9	Very high	91.8	Very high	103 Å²	103	45.2 Å²	45.2	54%	0.539	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-43.8	178.6	-68.8	173.5	0	0	0	111.5	L152 V153 Q154 W160	L152-L156 HydrophobicContact CG-CD1 4.26Å; L152-L156 WeakPolarHBondContact O-CG 3.08Å; L152-L156 PolarHBondContact O-N 2.91Å; V153-L156 PolarHBondContact O-N 3.01Å; Q154-L156 PolarHBondContact O-N 3.45Å; L156-W160 VanDerWaalsContact O-CB 3.3Å; L156-W160 WeakPolarHBondContact O-CB 3.4Å; L156-W160 PolarHBondContact O-N 2.65Å
157	G	93.4	Very high	91.7	Very high	12 Å²	12	43.7 Å²	43.7	12%	0.124	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-55.6	177.2	0	0	0	0	0	112.5	V153 Q154 S159 W160 I161	V153-G157 PolarHBondContact O-N 3.42Å; Q154-G157 PolarHBondContact O-N 3.18Å; G157-S159 PolarHBondContact O-N 3.4Å; G157-W160 PolarHBondContact O-N 3.44Å; G157-I161 VanDerWaalsContact O-CG1 3.32Å; G157-I161 WeakPolarHBondContact O-CG1 3.48Å; G157-I161 PolarHBondContact O-N 3.35Å
158	F	92.9	Very high	91.6	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-33.2	-179.7	-76.5	-69.2	0	0	0	113.5	Q154 I161 F162 M188 C191 E252 Y256	Q154-F158 VanDerWaalsContact O-CD2 3.31Å; Q154-F158 WeakPolarHBondContact O-CD2 3.47Å; Q154-F158 PolarHBondContact O-N 2.88Å; Q154-F158 VanDerWaalsContact OE1-CE2 3.29Å; F158-I161 HydrophobicContact CD1-CD1 4.29Å; F158-I161 PolarHBondContact O-N 3.38Å; F158-F162 WeakPolarHBondContact O-CB 3.47Å; F158-F162 PolarHBondContact O-N 3.4Å; F158-M188 HydrophobicContact CE1-SD 4Å; F158-C191 HydrophobicContact CD2-CB 4.45Å; F158-C191 HydrophobicContact CE1-CB 4.4Å; F158-C191 HydrophobicContact CE2-CB 3.9Å; F158-C191 HydrophobicContact CZ-CB 3.87Å; F158-E252 HydrophobicContact CB-CB 3.89Å; F158-E252 HydrophobicContact CD1-CB 3.86Å; F158-E252 HydrophobicContact CD1-CG 4Å; F158-E252 HydrophobicContact CD2-CB 3.68Å; F158-E252 HydrophobicContact CD2-CG 4.01Å; F158-E252 HydrophobicContact CE1-CB 4.29Å; F158-E252 HydrophobicContact CE1-CG 3.91Å; F158-E252 HydrophobicContact CE2-CB 4.12Å; F158-E252 HydrophobicContact CE2-CG 3.91Å; F158-E252 HydrophobicContact CG-CB 3.52Å; F158-E252 HydrophobicContact CG-CG 4.05Å; F158-E252 HydrophobicContact CZ-CB 4.41Å; F158-E252 HydrophobicContact CZ-CG 3.86Å; F158-Y256 HydrophobicContact CD2-CD2 4.04Å; F158-Y256 AromaticContact CD2-CE2 3.39Å; F158-Y256 HydrophobicContact CD2-CE2 3.39Å; F158-Y256 AromaticContact CE2-CE2 3.59Å; F158-Y256 HydrophobicContact CE2-CE2 3.59Å; F158-Y256 HydrophobicContact CG-CE2 4.47Å
159	S	93.1	Very high	91.5	Very high	36 Å²	36	46.4 Å²	46.4	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-65.3	-42	173.6	-172.4	0	0	0	0	111.2	F155 G157 F162 V163	F155-S159 WeakPolarHBondContact O-CB 3.4Å; F155-S159 PolarHBondContact O-N 3.43Å; G157-S159 PolarHBondContact O-N 3.4Å; S159-F162 PolarHBondContact O-N 2.81Å; S159-V163 WeakPolarHBondContact O-CB 3.46Å; S159-V163 VanDerWaalsContact O-CG2 3.26Å; S159-V163 WeakPolarHBondContact O-CG2 3.35Å; S159-V163 PolarHBondContact O-N 3.46Å
160	W	93.8	Very high	91.3	Very high	117 Å²	117	50.2 Å²	50.2	44%	0.443	25%	0.254	S	S	.	.	H	α-helix	trans	-61.9	-46.8	175.5	-179.4	89.6	0	0	0	111.2	L156 G157 F162 V163 N164 V187	L156-W160 VanDerWaalsContact O-CB 3.3Å; L156-W160 WeakPolarHBondContact O-CB 3.4Å; L156-W160 PolarHBondContact O-N 2.65Å; G157-W160 PolarHBondContact O-N 3.44Å; W160-F162 PolarHBondContact O-N 2.91Å; W160-V163 PolarHBondContact O-N 3.35Å; W160-N164 WeakPolarHBondContact CH2-ND2 3.32Å; W160-N164 WeakPolarHBondContact CZ2-ND2 3.33Å; W160-N164 WeakPolarHBondContact O-CB 3.27Å; W160-N164 PolarHBondContact O-N 2.61Å; W160-V187 HydrophobicContact CE3-CB 4.13Å; W160-V187 HydrophobicContact CE3-CG1 3.95Å; W160-V187 HydrophobicContact CE3-CG2 3.98Å; W160-V187 HydrophobicContact CH2-CG2 3.98Å; W160-V187 HydrophobicContact CZ3-CB 3.84Å; W160-V187 HydrophobicContact CZ3-CG1 4.19Å; W160-V187 HydrophobicContact CZ3-CG2 3.48Å; W160-V187 VanDerWaalsContact CZ3-CG2 3.48Å
161	I	92.3	Very high	91.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.8	-52.8	176.9	-68.1	171.1	0	0	0	110.3	G157 F158 V163 N164 M165 I184 V187 M188	G157-I161 VanDerWaalsContact O-CG1 3.32Å; G157-I161 WeakPolarHBondContact O-CG1 3.48Å; G157-I161 PolarHBondContact O-N 3.35Å; F158-I161 HydrophobicContact CD1-CD1 4.29Å; F158-I161 PolarHBondContact O-N 3.38Å; I161-V163 PolarHBondContact O-N 2.78Å; I161-N164 PolarHBondContact O-N 3.29Å; I161-M165 HydrophobicContact CG2-CG 4.41Å; I161-M165 HydrophobicContact CG2-SD 3.77Å; I161-M165 WeakPolarHBondContact O-CB 3.21Å; I161-M165 WeakPolarHBondContact O-CG 3.16Å; I161-M165 PolarHBondContact O-N 3.21Å; I161-I184 HydrophobicContact CB-CG2 4.4Å; I161-I184 HydrophobicContact CG1-CG2 4.09Å; I161-I184 HydrophobicContact CG2-CG2 3.7Å; I161-V187 HydrophobicContact CD1-CB 4.44Å; I161-V187 HydrophobicContact CD1-CG1 4.05Å; I161-V187 HydrophobicContact CG1-CB 4.35Å; I161-V187 HydrophobicContact CG1-CG1 3.99Å; I161-M188 HydrophobicContact CD1-CB 4.3Å; I161-M188 HydrophobicContact CD1-CE 3.88Å; I161-M188 HydrophobicContact CD1-SD 4.13Å; I161-M188 HydrophobicContact CG2-CE 4.01Å
162	F	92.8	Very high	90.6	Very high	50 Å²	50	59.6 Å²	59.6	22%	0.219	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-44.9	-176.4	-178	-97.8	0	0	0	113	F158 S159 W160 T166 Y246 A250 I253	F158-F162 WeakPolarHBondContact O-CB 3.47Å; F158-F162 PolarHBondContact O-N 3.4Å; S159-F162 PolarHBondContact O-N 2.81Å; W160-F162 PolarHBondContact O-N 2.91Å; F162-T166 WeakPolarHBondContact O-CB 3.29Å; F162-T166 PolarHBondContact O-N 3.24Å; F162-T166 PolarHBondContact O-OG1 3.14Å; F162-Y246 HydrophobicContact CD2-CD2 4.23Å; F162-Y246 AromaticContact CD2-CE2 3.83Å; F162-Y246 HydrophobicContact CD2-CE2 3.83Å; F162-Y246 HydrophobicContact CE2-CD2 4.26Å; F162-Y246 HydrophobicContact CE2-CE1 4.03Å; F162-Y246 AromaticContact CE2-CE2 3.52Å; F162-Y246 HydrophobicContact CE2-CE2 3.52Å; F162-Y246 AromaticContact CE2-CZ 3.39Å; F162-Y246 WeakPolarHBondContact CE2-OH 3.35Å; F162-Y246 HydrophobicContact CZ-CE2 4.19Å; F162-Y246 AromaticContact CZ-CZ 3.92Å; F162-Y246 WeakPolarHBondContact CZ-OH 3.25Å; F162-A250 HydrophobicContact CD2-CB 4.17Å; F162-A250 HydrophobicContact CE2-CB 3.85Å; F162-I253 HydrophobicContact CB-CD1 3.23Å; F162-I253 HydrophobicContact CB-CG1 4.4Å; F162-I253 HydrophobicContact CD1-CD1 3.34Å; F162-I253 HydrophobicContact CD2-CD1 3.73Å; F162-I253 HydrophobicContact CE1-CD1 4.08Å; F162-I253 HydrophobicContact CE2-CD1 4.4Å; F162-I253 HydrophobicContact CG-CD1 3.14Å
163	V	91.9	Very high	90	Very high	80 Å²	80	57.7 Å²	57.7	49%	0.485	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-46.5	179.6	172.3	0	0	0	0	110.2	S159 W160 I161 M165 T166 V167	S159-V163 WeakPolarHBondContact O-CB 3.46Å; S159-V163 VanDerWaalsContact O-CG2 3.26Å; S159-V163 WeakPolarHBondContact O-CG2 3.35Å; S159-V163 PolarHBondContact O-N 3.46Å; W160-V163 PolarHBondContact O-N 3.35Å; I161-V163 PolarHBondContact O-N 2.78Å; V163-M165 PolarHBondContact O-N 3.42Å; V163-T166 PolarHBondContact O-N 3.24Å; V163-V167 HydrophobicContact CG1-CG2 4.23Å; V163-V167 WeakPolarHBondContact O-CB 3.33Å; V163-V167 VanDerWaalsContact O-CG2 3.29Å; V163-V167 WeakPolarHBondContact O-CG2 3.47Å; V163-V167 PolarHBondContact O-N 2.96Å
164	N	90.8	Very high	89.1	Confident	33 Å²	33	61.6 Å²	61.6	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-44.6	179.2	-169	5	0	0	0	111.3	W160 I161 T166 V167 R168	W160-N164 WeakPolarHBondContact CH2-ND2 3.32Å; W160-N164 WeakPolarHBondContact CZ2-ND2 3.33Å; W160-N164 WeakPolarHBondContact O-CB 3.27Å; W160-N164 PolarHBondContact O-N 2.61Å; I161-N164 PolarHBondContact O-N 3.29Å; N164-T166 PolarHBondContact O-N 3.16Å; N164-V167 PolarHBondContact O-N 3.35Å; N164-R168 WeakPolarHBondContact O-CB 3.38Å; N164-R168 VanDerWaalsContact O-CG 3.3Å; N164-R168 WeakPolarHBondContact O-CG 3.47Å; N164-R168 PolarHBondContact O-N 2.91Å; N164-R168 WeakPolarHBondContact OD1-CD 3.36Å; N164-R168 PolarHBondContact OD1-NE 3.45Å; N164-R168 VanDerWaalsContact OD1-NE 3.07Å
165	M	88.6	Confident	88.2	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-44.4	174.5	-73.9	-177.3	78.6	0	0	112.6	I161 V163 R168 L169 T180 I184 F242 F245 Y246	I161-M165 HydrophobicContact CG2-CG 4.41Å; I161-M165 HydrophobicContact CG2-SD 3.77Å; I161-M165 WeakPolarHBondContact O-CB 3.21Å; I161-M165 WeakPolarHBondContact O-CG 3.16Å; I161-M165 PolarHBondContact O-N 3.21Å; V163-M165 PolarHBondContact O-N 3.42Å; M165-R168 PolarHBondContact O-N 3.33Å; M165-L169 WeakPolarHBondContact O-CB 3.35Å; M165-L169 PolarHBondContact O-N 3.12Å; M165-T180 HydrophobicContact CE-CG2 3.76Å; M165-I184 HydrophobicContact CG-CD1 3.24Å; M165-I184 HydrophobicContact CG-CG1 4.33Å; M165-I184 HydrophobicContact SD-CD1 4.09Å; M165-F242 HydrophobicContact CB-CE2 4.14Å; M165-F242 HydrophobicContact CE-CB 4.31Å; M165-F242 HydrophobicContact CE-CD1 4.4Å; M165-F242 HydrophobicContact CE-CD2 3.24Å; M165-F242 HydrophobicContact CE-CE2 3.46Å; M165-F242 VanDerWaalsContact CE-CE2 3.46Å; M165-F242 HydrophobicContact CE-CG 3.75Å; M165-F242 HydrophobicContact CE-CZ 4.1Å; M165-F242 VanDerWaalsContact CE-O 3.29Å; M165-F242 WeakPolarHBondContact CE-O 3.28Å; M165-F245 HydrophobicContact CE-CB 3.91Å; M165-F245 HydrophobicContact SD-CB 3.82Å; M165-Y246 HydrophobicContact CB-CD2 4.26Å; M165-Y246 HydrophobicContact CE-CD2 4.44Å
166	T	90.1	Very high	87.5	Confident	31 Å²	31	64.9 Å²	64.9	19%	0.19	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-47.1	179.9	-57.8	0	0	0	0	110.8	F162 V163 N164 R168 L169 F170	F162-T166 WeakPolarHBondContact O-CB 3.29Å; F162-T166 PolarHBondContact O-N 3.24Å; F162-T166 PolarHBondContact O-OG1 3.14Å; V163-T166 PolarHBondContact O-N 3.24Å; N164-T166 PolarHBondContact O-N 3.16Å; T166-R168 PolarHBondContact O-N 3.41Å; T166-L169 PolarHBondContact O-N 2.99Å; T166-F170 HydrophobicContact CG2-CD2 3.91Å; T166-F170 HydrophobicContact CG2-CE2 3.62Å; T166-F170 WeakPolarHBondContact O-CD2 3.43Å; T166-F170 PolarHBondContact O-N 2.86Å; T166-F170 VanDerWaalsContact O-N 3.14Å
167	V	89	Confident	86.6	Confident	70 Å²	70	61.3 Å²	61.3	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-44.7	178.2	170.3	0	0	0	0	111	V163 N164 L169 F170 I171	V163-V167 HydrophobicContact CG1-CG2 4.23Å; V163-V167 WeakPolarHBondContact O-CB 3.33Å; V163-V167 VanDerWaalsContact O-CG2 3.29Å; V163-V167 WeakPolarHBondContact O-CG2 3.47Å; V163-V167 PolarHBondContact O-N 2.96Å; N164-V167 PolarHBondContact O-N 3.35Å; V167-L169 VanDerWaalsContact C-N 3.32Å; V167-L169 PolarHBondContact O-N 3.26Å; V167-F170 PolarHBondContact O-N 2.88Å; V167-F170 VanDerWaalsContact O-N 3.16Å; V167-I171 HydrophobicContact CG1-CD1 3.53Å; V167-I171 HydrophobicContact CG1-CG1 4.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.39Å; V167-I171 PolarHBondContact O-N 3.38Å
168	R	85.6	Confident	85.7	Confident	58 Å²	58	66 Å²	66	22%	0.219	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-37.9	177.6	-76.1	174.6	172.7	-103.1	1.1	112.7	N164 M165 T166 F170 I171 F172 S176 D179	N164-R168 WeakPolarHBondContact O-CB 3.38Å; N164-R168 VanDerWaalsContact O-CG 3.3Å; N164-R168 WeakPolarHBondContact O-CG 3.47Å; N164-R168 PolarHBondContact O-N 2.91Å; N164-R168 WeakPolarHBondContact OD1-CD 3.36Å; N164-R168 PolarHBondContact OD1-NE 3.45Å; N164-R168 VanDerWaalsContact OD1-NE 3.07Å; M165-R168 PolarHBondContact O-N 3.33Å; T166-R168 PolarHBondContact O-N 3.41Å; R168-F170 VanDerWaalsContact C-N 3.3Å; R168-F170 PolarHBondContact O-N 3.37Å; R168-I171 PolarHBondContact O-N 3.43Å; R168-F172 HydrophobicContact CB-CD2 4.31Å; R168-F172 HydrophobicContact CG-CD2 4.29Å; R168-F172 HydrophobicContact CG-CE2 4.44Å; R168-F172 PolarHBondContact O-N 2.95Å; R168-S176 WeakPolarHBondContact O-CB 3.5Å; R168-D179 IonicContact NH1-OD2 3.43Å; R168-D179 PolarHBondContact NH1-OD2 3.05Å
169	L	87.3	Confident	85.1	Confident	72 Å²	72	69.2 Å²	69.2	38%	0.377	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-39.3	174.6	-173.6	117	0	0	0	111.6	M165 T166 V167 G173 S176 L177 F242	M165-L169 WeakPolarHBondContact O-CB 3.35Å; M165-L169 PolarHBondContact O-N 3.12Å; T166-L169 PolarHBondContact O-N 2.99Å; V167-L169 VanDerWaalsContact C-N 3.32Å; V167-L169 PolarHBondContact O-N 3.26Å; L169-G173 WeakPolarHBondContact O-CA 3.3Å; L169-G173 PolarHBondContact O-N 3.5Å; L169-S176 WeakPolarHBondContact CA-OG 3.33Å; L169-L177 HydrophobicContact CD1-CD2 4.22Å; L169-F242 HydrophobicContact CB-CZ 4.4Å; L169-F242 HydrophobicContact CD1-CE1 3.89Å; L169-F242 HydrophobicContact CD1-CE2 4.09Å; L169-F242 HydrophobicContact CD1-CZ 3.45Å; L169-F242 VanDerWaalsContact CD1-CZ 3.45Å
170	F	87.5	Confident	84.4	Confident	166 Å²	166	67.6 Å²	67.6	73%	0.728	33%	0.334	S	S	*	.	H	α-helix	trans	-73.3	-34.3	176.9	-78.4	-66.8	0	0	0	113.9	T166 V167 R168	T166-F170 HydrophobicContact CG2-CD2 3.91Å; T166-F170 HydrophobicContact CG2-CE2 3.62Å; T166-F170 WeakPolarHBondContact O-CD2 3.43Å; T166-F170 PolarHBondContact O-N 2.86Å; T166-F170 VanDerWaalsContact O-N 3.14Å; V167-F170 PolarHBondContact O-N 2.88Å; V167-F170 VanDerWaalsContact O-N 3.16Å; R168-F170 VanDerWaalsContact C-N 3.3Å; R168-F170 PolarHBondContact O-N 3.37Å
171	I	85.8	Confident	83.9	Confident	113 Å²	113	62.6 Å²	62.6	58%	0.579	32%	0.316	S	S	*	.	H	α-helix	trans	-84.3	-48.6	-176.5	-65.1	174.2	0	0	0	111.9	V167 R168	V167-I171 HydrophobicContact CG1-CD1 3.53Å; V167-I171 HydrophobicContact CG1-CG1 4.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.39Å; V167-I171 PolarHBondContact O-N 3.38Å; R168-I171 PolarHBondContact O-N 3.43Å
172	F	80.9	Confident	83.4	Confident	115 Å²	115	67.5 Å²	67.5	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-105	-5.9	-170	-59	-79.5	0	0	0	113.4	R168 Q174 D175	R168-F172 HydrophobicContact CB-CD2 4.31Å; R168-F172 HydrophobicContact CG-CD2 4.29Å; R168-F172 HydrophobicContact CG-CE2 4.44Å; R168-F172 PolarHBondContact O-N 2.95Å; F172-Q174 PolarHBondContact O-N 3.16Å; F172-D175 PolarHBondContact O-N 3.36Å
173	G	80.3	Confident	83	Confident	35 Å²	35	67 Å²	67	36%	0.361	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	-126.4	177.6	0	0	0	0	0	112.5	L169 D175 S176	L169-G173 WeakPolarHBondContact O-CA 3.3Å; L169-G173 PolarHBondContact O-N 3.5Å; G173-D175 VanDerWaalsContact C-N 3.34Å; G173-D175 PolarHBondContact O-N 3.12Å; G173-S176 WeakPolarHBondContact O-CB 3.41Å; G173-S176 PolarHBondContact O-N 2.7Å; G173-S176 PolarHBondContact O-OG 2.88Å
174	Q	74.4	Confident	82.8	Confident	145 Å²	145	63.2 Å²	63.2	68%	0.678	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.6	-176.1	-72.4	-162.9	-15.9	0	0	113.7	F172 S176 L177 Y178	F172-Q174 PolarHBondContact O-N 3.16Å; Q174-S176 PolarHBondContact O-N 3.43Å; Q174-L177 VanDerWaalsContact O-CB 3.27Å; Q174-L177 WeakPolarHBondContact O-CB 3.47Å; Q174-L177 WeakPolarHBondContact O-CG 3.1Å; Q174-L177 PolarHBondContact O-N 3.31Å; Q174-Y178 VanDerWaalsContact O-CD2 3.28Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.28Å
175	D	75	Confident	82.5	Confident	120 Å²	120	62 Å²	62	64%	0.642	31%	0.311	S	S	*	.	H	α-helix	trans	-65	-28.7	-179.4	-63.4	-26.6	0	0	0	111.7	F172 G173 L177 Y178 D179	F172-D175 PolarHBondContact O-N 3.36Å; G173-D175 VanDerWaalsContact C-N 3.34Å; G173-D175 PolarHBondContact O-N 3.12Å; D175-L177 PolarHBondContact O-N 3.3Å; D175-Y178 PolarHBondContact O-N 3.26Å; D175-D179 PolarHBondContact O-N 3.08Å
176	S	77.3	Confident	82.5	Confident	5 Å²	5	67.9 Å²	67.9	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-30.5	174	73.2	0	0	0	0	113	R168 L169 G173 Q174 Y178 T180	R168-S176 WeakPolarHBondContact O-CB 3.5Å; L169-S176 WeakPolarHBondContact CA-OG 3.33Å; G173-S176 WeakPolarHBondContact O-CB 3.41Å; G173-S176 PolarHBondContact O-N 2.7Å; G173-S176 PolarHBondContact O-OG 2.88Å; Q174-S176 PolarHBondContact O-N 3.43Å; S176-Y178 PolarHBondContact O-N 3.01Å; S176-T180 PolarHBondContact O-N 3.18Å; S176-T180 PolarHBondContact O-OG1 3.19Å
177	L	75.3	Confident	82.5	Confident	28 Å²	28	68.4 Å²	68.4	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-29	-178.5	-58.5	176.8	0	0	0	111.8	L169 Q174 D175 P239 F242	L169-L177 HydrophobicContact CD1-CD2 4.22Å; Q174-L177 VanDerWaalsContact O-CB 3.27Å; Q174-L177 WeakPolarHBondContact O-CB 3.47Å; Q174-L177 WeakPolarHBondContact O-CG 3.1Å; Q174-L177 PolarHBondContact O-N 3.31Å; D175-L177 PolarHBondContact O-N 3.3Å; L177-P239 HydrophobicContact CB-CB 4.17Å; L177-P239 HydrophobicContact CD1-CB 4.42Å; L177-F242 HydrophobicContact CD2-CB 3.93Å; L177-F242 HydrophobicContact CD2-CD1 3.5Å; L177-F242 VanDerWaalsContact CD2-CD1 3.5Å; L177-F242 HydrophobicContact CD2-CD2 3.82Å; L177-F242 HydrophobicContact CD2-CE1 3.96Å; L177-F242 HydrophobicContact CD2-CE2 4.23Å; L177-F242 HydrophobicContact CD2-CG 3.45Å; L177-F242 VanDerWaalsContact CD2-CG 3.45Å; L177-F242 HydrophobicContact CD2-CZ 4.32Å
178	Y	74.4	Confident	82.6	Confident	109 Å²	109	65 Å²	65	43%	0.427	33%	0.325	S	S	.	.	H	α-helix	trans	-91.5	-32.8	-176.6	-63.1	-89.2	0	0	0	112.1	Q174 D175 S176 H237	Q174-Y178 VanDerWaalsContact O-CD2 3.28Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.28Å; D175-Y178 PolarHBondContact O-N 3.26Å; S176-Y178 PolarHBondContact O-N 3.01Å; Y178-H237 WeakPolarHBondContact CD1-O 3.38Å; Y178-H237 VanDerWaalsContact CE1-O 3.31Å; Y178-H237 WeakPolarHBondContact CE1-O 3.3Å
179	D	80.3	Confident	82.9	Confident	69 Å²	69	64.2 Å²	64.2	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-89.7	-0.4	-180	-171.6	47.3	0	0	0	114.2	R168 D175 F181 T183	R168-D179 IonicContact NH1-OD2 3.43Å; R168-D179 PolarHBondContact NH1-OD2 3.05Å; D175-D179 PolarHBondContact O-N 3.08Å; D179-F181 VanDerWaalsContact C-N 3.31Å; D179-F181 PolarHBondContact O-N 2.69Å; D179-T183 PolarHBondContact O-OG1 3.1Å; D179-T183 VanDerWaalsContact O-OG1 3.08Å
180	T	80.1	Confident	83	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-41.7	-176.6	-71.5	0	0	0	0	112.3	M165 S176 T183 I184 F242 F245	M165-T180 HydrophobicContact CE-CG2 3.76Å; S176-T180 PolarHBondContact O-N 3.18Å; S176-T180 PolarHBondContact O-OG1 3.19Å; T180-T183 PolarHBondContact O-N 3.45Å; T180-T183 PolarHBondContact O-OG1 3.24Å; T180-I184 HydrophobicContact CG2-CD1 3.68Å; T180-I184 WeakPolarHBondContact O-CB 3.42Å; T180-I184 PolarHBondContact O-N 3.29Å; T180-I184 VanDerWaalsContact O-N 3.12Å; T180-F242 HydrophobicContact CG2-CB 4.41Å; T180-F242 HydrophobicContact CG2-CD2 4.29Å; T180-F242 WeakPolarHBondContact OG1-CD2 3.42Å; T180-F245 HydrophobicContact CG2-CD2 4.23Å
181	F	82.6	Confident	83.2	Confident	13 Å²	13	58.6 Å²	58.6	6%	0.057	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-48.1	-174.3	-172.3	-92.7	0	0	0	111.5	D179 T183 I184 S185 F189 F229 H236 V241 F245	D179-F181 VanDerWaalsContact C-N 3.31Å; D179-F181 PolarHBondContact O-N 2.69Å; F181-T183 PolarHBondContact O-N 2.87Å; F181-T183 VanDerWaalsContact O-N 3.16Å; F181-I184 PolarHBondContact O-N 3.29Å; F181-S185 WeakPolarHBondContact O-CA 3.46Å; F181-S185 WeakPolarHBondContact O-CB 2.96Å; F181-S185 PolarHBondContact O-N 3.37Å; F181-S185 PolarHBondContact O-OG 2.76Å; F181-F189 HydrophobicContact CE2-CE2 4.36Å; F181-F189 HydrophobicContact CZ-CE2 4.01Å; F181-F229 HydrophobicContact CD2-CB 4.44Å; F181-F229 HydrophobicContact CE2-CB 3.69Å; F181-F229 HydrophobicContact CZ-CB 4.4Å; F181-H236 HydrophobicContact CB-CB 3.87Å; F181-H236 HydrophobicContact CD1-CB 3.69Å; F181-H236 AromaticContact CD1-CD2 3.42Å; F181-H236 VanDerWaalsContact CD1-CD2 3.42Å; F181-H236 WeakPolarHBondContact CD1-CD2 3.36Å; F181-H236 AromaticContact CD1-CE1 3.7Å; F181-H236 AromaticContact CD1-CG 3.2Å; F181-H236 AromaticContact CD1-ND1 3.4Å; F181-H236 WeakPolarHBondContact CD1-ND1 3.5Å; F181-H236 AromaticContact CD1-NE2 3.73Å; F181-H236 AromaticContact CD2-CD2 3.9Å; F181-H236 HydrophobicContact CE1-CB 4.46Å; F181-H236 AromaticContact CE1-CD2 3.35Å; F181-H236 WeakPolarHBondContact CE1-CD2 3.42Å; F181-H236 AromaticContact CE1-CE1 3.18Å; F181-H236 WeakPolarHBondContact CE1-CE1 3.11Å; F181-H236 AromaticContact CE1-CG 3.51Å; F181-H236 AromaticContact CE1-ND1 3.4Å; F181-H236 WeakPolarHBondContact CE1-ND1 3.35Å; F181-H236 AromaticContact CE1-NE2 3.16Å; F181-H236 WeakPolarHBondContact CE1-NE2 3.48Å; F181-H236 AromaticContact CE2-CD2 3.85Å; F181-H236 HydrophobicContact CG-CB 3.82Å; F181-H236 AromaticContact CG-CD2 3.69Å; F181-H236 AromaticContact CG-CG 3.68Å; F181-H236 AromaticContact CZ-CD2 3.56Å; F181-H236 AromaticContact CZ-CE1 3.79Å; F181-H236 AromaticContact CZ-NE2 3.3Å; F181-H236 VanDerWaalsContact CZ-NE2 3.3Å; F181-H236 WeakPolarHBondContact CZ-NE2 3.36Å; F181-V241 HydrophobicContact CB-CG1 4.14Å; F181-V241 HydrophobicContact CD2-CG1 3.88Å; F181-F245 HydrophobicContact CD2-CE2 4.38Å; F181-F245 HydrophobicContact CD2-CZ 4.24Å; F181-F245 HydrophobicContact CE2-CZ 4.38Å
182	H	82.6	Confident	83.4	Confident	102 Å²	102	53.2 Å²	53.2	47%	0.472	27%	0.268	S	S	.	.	H	α-helix	trans	-62.6	-27.7	-176.5	-69.4	-65.1	0	0	0	113.8	H237	H182-H237 AromaticContact NE2-NE2 3.97Å
183	T	82.6	Confident	83.8	Confident	41 Å²	41	51.2 Å²	51.2	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-99.3	-22.9	-172.4	53.6	0	0	0	0	113.7	D179 T180 F181	D179-T183 PolarHBondContact O-OG1 3.1Å; D179-T183 VanDerWaalsContact O-OG1 3.08Å; T180-T183 PolarHBondContact O-N 3.45Å; T180-T183 PolarHBondContact O-OG1 3.24Å; F181-T183 PolarHBondContact O-N 2.87Å; F181-T183 VanDerWaalsContact O-N 3.16Å
184	I	87.9	Confident	84.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-117.3	-22.2	-172	-67.9	150.3	0	0	0	112.4	I161 M165 T180 F181 D186 V187 M188 F245	I161-I184 HydrophobicContact CB-CG2 4.4Å; I161-I184 HydrophobicContact CG1-CG2 4.09Å; I161-I184 HydrophobicContact CG2-CG2 3.7Å; M165-I184 HydrophobicContact CG-CD1 3.24Å; M165-I184 HydrophobicContact CG-CG1 4.33Å; M165-I184 HydrophobicContact SD-CD1 4.09Å; T180-I184 HydrophobicContact CG2-CD1 3.68Å; T180-I184 WeakPolarHBondContact O-CB 3.42Å; T180-I184 PolarHBondContact O-N 3.29Å; T180-I184 VanDerWaalsContact O-N 3.12Å; F181-I184 PolarHBondContact O-N 3.29Å; I184-D186 PolarHBondContact O-N 3.31Å; I184-V187 PolarHBondContact O-N 3.31Å; I184-M188 PolarHBondContact O-N 3.48Å; I184-F245 HydrophobicContact CB-CD2 4.41Å; I184-F245 HydrophobicContact CG2-CD2 3.76Å; I184-F245 HydrophobicContact CG2-CE2 4.25Å
185	S	85.7	Confident	84.8	Confident	8 Å²	8	44.9 Å²	44.9	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-54.4	-47.5	-173.7	56.1	0	0	0	0	112.6	F181 V187 M188 F189	F181-S185 WeakPolarHBondContact O-CA 3.46Å; F181-S185 WeakPolarHBondContact O-CB 2.96Å; F181-S185 PolarHBondContact O-N 3.37Å; F181-S185 PolarHBondContact O-OG 2.76Å; S185-V187 VanDerWaalsContact C-N 3.34Å; S185-V187 PolarHBondContact O-N 3.31Å; S185-M188 CarbonylContact O-C 3.43Å; S185-M188 WeakPolarHBondContact O-CA 3.19Å; S185-M188 WeakPolarHBondContact O-CB 3.29Å; S185-M188 PolarHBondContact O-N 3.33Å; S185-F189 WeakPolarHBondContact O-CD2 3.12Å; S185-F189 PolarHBondContact O-N 2.95Å
186	D	88.3	Confident	85.4	Confident	123 Å²	123	41.1 Å²	41.1	66%	0.658	21%	0.211	S	C	*	.	H	α-helix	trans	-55.1	-47.6	-178.8	-68.4	-22.1	0	0	0	112.8	I184 M188 F189 F190	I184-D186 PolarHBondContact O-N 3.31Å; D186-M188 VanDerWaalsContact C-N 3.34Å; D186-F189 PolarHBondContact O-N 3.13Å; D186-F190 WeakPolarHBondContact O-CB 3.24Å; D186-F190 PolarHBondContact O-N 3.05Å
187	V	90.6	Very high	85.8	Confident	42 Å²	42	42.7 Å²	42.7	26%	0.255	22%	0.221	S	C	.	.	H	α-helix	trans	-69.4	-36.4	179	-174.3	0	0	0	0	110.6	W160 I161 I184 S185 F190 C191	W160-V187 HydrophobicContact CE3-CB 4.13Å; W160-V187 HydrophobicContact CE3-CG1 3.95Å; W160-V187 HydrophobicContact CE3-CG2 3.98Å; W160-V187 HydrophobicContact CH2-CG2 3.98Å; W160-V187 HydrophobicContact CZ3-CB 3.84Å; W160-V187 HydrophobicContact CZ3-CG1 4.19Å; W160-V187 HydrophobicContact CZ3-CG2 3.48Å; W160-V187 VanDerWaalsContact CZ3-CG2 3.48Å; I161-V187 HydrophobicContact CD1-CB 4.44Å; I161-V187 HydrophobicContact CD1-CG1 4.05Å; I161-V187 HydrophobicContact CG1-CB 4.35Å; I161-V187 HydrophobicContact CG1-CG1 3.99Å; I184-V187 PolarHBondContact O-N 3.31Å; S185-V187 VanDerWaalsContact C-N 3.34Å; S185-V187 PolarHBondContact O-N 3.31Å; V187-F190 PolarHBondContact O-N 3.36Å; V187-C191 WeakPolarHBondContact O-CB 3.18Å; V187-C191 PolarHBondContact O-N 3.23Å; V187-C191 PolarHBondContact O-SG 2.86Å
188	M	91.3	Very high	86.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-46.3	175.3	-173.5	61.5	79.1	0	0	111.7	F158 I161 I184 S185 D186 F190 C191 Q192 L225 F245 W248	F158-M188 HydrophobicContact CE1-SD 4Å; I161-M188 HydrophobicContact CD1-CB 4.3Å; I161-M188 HydrophobicContact CD1-CE 3.88Å; I161-M188 HydrophobicContact CD1-SD 4.13Å; I161-M188 HydrophobicContact CG2-CE 4.01Å; I184-M188 PolarHBondContact O-N 3.48Å; S185-M188 CarbonylContact O-C 3.43Å; S185-M188 WeakPolarHBondContact O-CA 3.19Å; S185-M188 WeakPolarHBondContact O-CB 3.29Å; S185-M188 PolarHBondContact O-N 3.33Å; D186-M188 VanDerWaalsContact C-N 3.34Å; M188-F190 VanDerWaalsContact C-N 3.32Å; M188-F190 PolarHBondContact O-N 3.5Å; M188-C191 PolarHBondContact O-N 2.96Å; M188-Q192 WeakPolarHBondContact O-CB 3.12Å; M188-Q192 PolarHBondContact O-N 3.39Å; M188-L225 HydrophobicContact CG-CD1 3.97Å; M188-L225 HydrophobicContact CG-CD2 4.14Å; M188-F245 HydrophobicContact CB-CD2 4.49Å; M188-F245 HydrophobicContact CB-CE2 4.1Å; M188-F245 HydrophobicContact CB-CZ 4.16Å; M188-F245 HydrophobicContact CE-CB 3.64Å; M188-F245 HydrophobicContact CE-CD1 3.79Å; M188-F245 HydrophobicContact CE-CD2 4.05Å; M188-F245 HydrophobicContact CE-CE1 4.46Å; M188-F245 HydrophobicContact CE-CG 3.56Å; M188-F245 HydrophobicContact CG-CD1 4.1Å; M188-F245 HydrophobicContact CG-CD2 4.43Å; M188-F245 HydrophobicContact CG-CE1 3.83Å; M188-F245 HydrophobicContact CG-CE2 4.17Å; M188-F245 HydrophobicContact CG-CG 4.41Å; M188-F245 HydrophobicContact CG-CZ 3.86Å; M188-W248 HydrophobicContact SD-CE3 4.1Å
189	F	89.9	Confident	86.8	Confident	40 Å²	40	38.4 Å²	38.4	18%	0.175	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-43.9	174.7	-83	-70.7	0	0	0	111.3	F181 S185 D186 T193 L225 F226	F181-F189 HydrophobicContact CE2-CE2 4.36Å; F181-F189 HydrophobicContact CZ-CE2 4.01Å; S185-F189 WeakPolarHBondContact O-CD2 3.12Å; S185-F189 PolarHBondContact O-N 2.95Å; D186-F189 PolarHBondContact O-N 3.13Å; F189-T193 VanDerWaalsContact O-CB 3.29Å; F189-T193 WeakPolarHBondContact O-CB 3.16Å; F189-T193 PolarHBondContact O-N 3.01Å; F189-T193 PolarHBondContact O-OG1 3.12Å; F189-L225 HydrophobicContact CD1-CD1 4.49Å; F189-L225 HydrophobicContact CD1-CD2 3.68Å; F189-L225 HydrophobicContact CD1-CG 3.76Å; F189-L225 HydrophobicContact CE1-CD1 4.22Å; F189-L225 HydrophobicContact CE1-CD2 4.02Å; F189-L225 HydrophobicContact CE1-CG 3.55Å; F189-L225 HydrophobicContact CE2-CD1 4.41Å; F189-L225 HydrophobicContact CG-CD2 4.15Å; F189-L225 HydrophobicContact CG-CG 4.4Å; F189-L225 HydrophobicContact CZ-CD1 4.15Å; F189-L225 HydrophobicContact CZ-CG 3.96Å; F189-F226 AromaticContact CD1-CD1 3.82Å; F189-F226 HydrophobicContact CD1-CD1 3.82Å; F189-F226 AromaticContact CD1-CE1 3.41Å; F189-F226 HydrophobicContact CD1-CE1 3.41Å; F189-F226 VanDerWaalsContact CD1-CE1 3.41Å; F189-F226 HydrophobicContact CD1-CE2 4.3Å; F189-F226 HydrophobicContact CD1-CG 4.42Å; F189-F226 AromaticContact CD1-CZ 3.69Å; F189-F226 HydrophobicContact CD1-CZ 3.69Å; F189-F226 AromaticContact CE1-CD1 3.56Å; F189-F226 HydrophobicContact CE1-CD1 3.56Å; F189-F226 AromaticContact CE1-CE1 3.69Å; F189-F226 HydrophobicContact CE1-CE1 3.69Å; F189-F226 HydrophobicContact CE1-CG 4.03Å; F189-F226 HydrophobicContact CE1-CZ 4.25Å
190	F	91.3	Very high	87	Confident	118 Å²	118	39.5 Å²	39.5	52%	0.518	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-52.7	176.5	179.6	-103.1	0	0	0	112.4	V153 D186 V187 M188 Q192 T193 L194	V153-F190 HydrophobicContact CG1-CE1 4.32Å; D186-F190 WeakPolarHBondContact O-CB 3.24Å; D186-F190 PolarHBondContact O-N 3.05Å; V187-F190 PolarHBondContact O-N 3.36Å; M188-F190 VanDerWaalsContact C-N 3.32Å; M188-F190 PolarHBondContact O-N 3.5Å; F190-Q192 VanDerWaalsContact C-N 3.3Å; F190-Q192 PolarHBondContact O-N 3.13Å; F190-T193 PolarHBondContact O-N 3Å; F190-L194 HydrophobicContact CD1-CD1 3.96Å; F190-L194 HydrophobicContact CE1-CD1 3.35Å; F190-L194 HydrophobicContact CE1-CG 4.32Å; F190-L194 HydrophobicContact CE2-CD1 4.23Å; F190-L194 HydrophobicContact CE2-CG 4.48Å; F190-L194 HydrophobicContact CZ-CD1 3.52Å; F190-L194 HydrophobicContact CZ-CG 4.22Å; F190-L194 PolarHBondContact O-N 3.19Å
191	C	91	Very high	87.2	Confident	2 Å²	2	40 Å²	40	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-40	-179.4	-64.8	0	0	0	0	111.7	Q154 F158 V187 M188 L194 A195	Q154-C191 PolarHBondContact NE2-O 3.27Å; Q154-C191 PolarHBondContact OE1-O 2.79Å; F158-C191 HydrophobicContact CD2-CB 4.45Å; F158-C191 HydrophobicContact CE1-CB 4.4Å; F158-C191 HydrophobicContact CE2-CB 3.9Å; F158-C191 HydrophobicContact CZ-CB 3.87Å; V187-C191 WeakPolarHBondContact O-CB 3.18Å; V187-C191 PolarHBondContact O-N 3.23Å; V187-C191 PolarHBondContact O-SG 2.86Å; M188-C191 PolarHBondContact O-N 2.96Å; C191-L194 CarbonylContact O-C 3.59Å; C191-L194 WeakPolarHBondContact O-CB 3.38Å; C191-L194 PolarHBondContact O-N 3.26Å; C191-A195 PolarHBondContact O-N 3.26Å
192	Q	89.3	Confident	87.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-72.9	-34.7	-179.3	-167.6	59.3	36.8	0	0	112.1	M188 F190 A195 R221 N222 L225	M188-Q192 WeakPolarHBondContact O-CB 3.12Å; M188-Q192 PolarHBondContact O-N 3.39Å; F190-Q192 VanDerWaalsContact C-N 3.3Å; F190-Q192 PolarHBondContact O-N 3.13Å; Q192-A195 WeakPolarHBondContact O-CB 3.42Å; Q192-A195 PolarHBondContact O-N 2.89Å; Q192-R221 VanDerWaalsContact NE2-CB 3.27Å; Q192-N222 WeakPolarHBondContact CG-OD1 3.24Å; Q192-N222 PolarHBondContact NE2-OD1 3.24Å; Q192-L225 HydrophobicContact CB-CD2 3.55Å; Q192-L225 HydrophobicContact CG-CD2 3.66Å
193	T	89.1	Confident	87.1	Confident	73 Å²	73	37.7 Å²	37.7	45%	0.448	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-46.9	169.7	-58.7	0	0	0	0	110.4	F189 F190 A195 S196	F189-T193 VanDerWaalsContact O-CB 3.29Å; F189-T193 WeakPolarHBondContact O-CB 3.16Å; F189-T193 PolarHBondContact O-N 3.01Å; F189-T193 PolarHBondContact O-OG1 3.12Å; F190-T193 PolarHBondContact O-N 3Å; T193-A195 PolarHBondContact O-N 3.36Å; T193-S196 WeakPolarHBondContact O-CB 3.46Å; T193-S196 PolarHBondContact O-N 3.16Å; T193-S196 PolarHBondContact O-OG 2.83Å; T193-S196 VanDerWaalsContact O-OG 3.1Å
194	L	89.6	Confident	87	Confident	44 Å²	44	43.5 Å²	43.5	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-27.9	174.2	-74.5	179.2	0	0	0	112.8	Y150 V153 Q154 F190 C191 S196 V197	Y150-L194 HydrophobicContact CE2-CB 4.41Å; Y150-L194 WeakPolarHBondContact CE2-O 3.3Å; Y150-L194 PolarHBondContact OH-O 2.95Å; V153-L194 HydrophobicContact CG1-CD1 3.98Å; Q154-L194 VanDerWaalsContact NE2-C 3.34Å; F190-L194 HydrophobicContact CD1-CD1 3.96Å; F190-L194 HydrophobicContact CE1-CD1 3.35Å; F190-L194 HydrophobicContact CE1-CG 4.32Å; F190-L194 HydrophobicContact CE2-CD1 4.23Å; F190-L194 HydrophobicContact CE2-CG 4.48Å; F190-L194 HydrophobicContact CZ-CD1 3.52Å; F190-L194 HydrophobicContact CZ-CG 4.22Å; F190-L194 PolarHBondContact O-N 3.19Å; C191-L194 CarbonylContact O-C 3.59Å; C191-L194 WeakPolarHBondContact O-CB 3.38Å; C191-L194 PolarHBondContact O-N 3.26Å; L194-S196 PolarHBondContact O-N 3.42Å; L194-V197 VanDerWaalsContact O-CB 3.24Å; L194-V197 WeakPolarHBondContact O-CB 3.34Å; L194-V197 WeakPolarHBondContact O-CG2 3.42Å; L194-V197 PolarHBondContact O-N 2.71Å
195	A	87.2	Confident	86.3	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-21.9	175.1	0	0	0	0	0	112.2	Y150 C191 Q192 T193 V197 E198	Y150-A195 WeakPolarHBondContact OH-CA 3.2Å; C191-A195 PolarHBondContact O-N 3.26Å; Q192-A195 WeakPolarHBondContact O-CB 3.42Å; Q192-A195 PolarHBondContact O-N 2.89Å; T193-A195 PolarHBondContact O-N 3.36Å; A195-V197 PolarHBondContact O-N 3.41Å; A195-E198 VanDerWaalsContact O-CB 3.28Å; A195-E198 WeakPolarHBondContact O-CB 3.39Å; A195-E198 PolarHBondContact O-N 2.98Å
196	S	86.4	Confident	85.6	Confident	42 Å²	42	47.8 Å²	47.8	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-28.1	171.5	-50.9	0	0	0	0	112.5	T193 L194 E198 V199 L200	T193-S196 WeakPolarHBondContact O-CB 3.46Å; T193-S196 PolarHBondContact O-N 3.16Å; T193-S196 PolarHBondContact O-OG 2.83Å; T193-S196 VanDerWaalsContact O-OG 3.1Å; L194-S196 PolarHBondContact O-N 3.42Å; S196-E198 PolarHBondContact O-N 2.94Å; S196-V199 WeakPolarHBondContact O-CB 3.32Å; S196-V199 PolarHBondContact O-N 2.96Å; S196-V199 VanDerWaalsContact O-N 3.12Å; S196-L200 PolarHBondContact O-N 3.5Å
197	V	86.9	Confident	84.8	Confident	38 Å²	38	44.2 Å²	44.2	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-26.7	173.8	-176.5	0	0	0	0	111.3	F146 Y150 L194 A195 V199 L200 N201	F146-V197 HydrophobicContact CZ-CG1 4.09Å; Y150-V197 HydrophobicContact CD2-CB 4.48Å; Y150-V197 HydrophobicContact CD2-CG1 4.32Å; Y150-V197 HydrophobicContact CE2-CB 3.79Å; Y150-V197 HydrophobicContact CE2-CG1 4.09Å; Y150-V197 HydrophobicContact CE2-CG2 4.44Å; L194-V197 VanDerWaalsContact O-CB 3.24Å; L194-V197 WeakPolarHBondContact O-CB 3.34Å; L194-V197 WeakPolarHBondContact O-CG2 3.42Å; L194-V197 PolarHBondContact O-N 2.71Å; A195-V197 PolarHBondContact O-N 3.41Å; V197-V199 VanDerWaalsContact C-N 3.31Å; V197-V199 PolarHBondContact O-N 3.43Å; V197-L200 PolarHBondContact O-N 3.45Å; V197-N201 WeakPolarHBondContact O-CB 3.49Å; V197-N201 PolarHBondContact O-N 2.92Å; V197-N201 PolarHBondContact O-ND2 3.14Å
198	E	85.2	Confident	83.3	Confident	25 Å²	25	54.5 Å²	54.5	12%	0.117	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-37.9	173.1	-76.4	164.9	-158.3	0	0	112	Y150 A195 S196 N201 A202 R255 Y256	Y150-E198 HydrophobicContact CE1-CG 3.8Å; Y150-E198 WeakPolarHBondContact OH-CG 3.39Å; Y150-E198 PolarHBondContact OH-OE1 3.48Å; A195-E198 VanDerWaalsContact O-CB 3.28Å; A195-E198 WeakPolarHBondContact O-CB 3.39Å; A195-E198 PolarHBondContact O-N 2.98Å; S196-E198 PolarHBondContact O-N 2.94Å; E198-N201 PolarHBondContact O-N 3.23Å; E198-A202 WeakPolarHBondContact O-CB 2.98Å; E198-A202 PolarHBondContact O-N 3.19Å; E198-R255 IonicContact OE1-CZ 2.91Å; E198-R255 IonicContact OE1-NH2 3.54Å; E198-R255 PolarHBondContact OE1-NH2 2.85Å; E198-R255 IonicContact OE2-CZ 3.85Å; E198-R255 IonicContact OE2-NH1 3.52Å; E198-R255 IonicContact OE2-NH2 2.66Å; E198-R255 PolarHBondContact OE2-NH2 3.31Å; E198-Y256 VanDerWaalsContact OE1-CE1 3.26Å; E198-Y256 WeakPolarHBondContact OE1-CE1 3.3Å; E198-Y256 PolarHBondContact OE1-OH 3.33Å
199	V	84.9	Confident	82.2	Confident	22 Å²	22	56.6 Å²	56.6	13%	0.133	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-43.3	176.6	-176	0	0	0	0	109.9	S196 V197 A202 A203 L215 V218	S196-V199 WeakPolarHBondContact O-CB 3.32Å; S196-V199 PolarHBondContact O-N 2.96Å; S196-V199 VanDerWaalsContact O-N 3.12Å; V197-V199 VanDerWaalsContact C-N 3.31Å; V197-V199 PolarHBondContact O-N 3.43Å; V199-A202 PolarHBondContact O-N 2.86Å; V199-A203 VanDerWaalsContact O-CB 3.3Å; V199-A203 WeakPolarHBondContact O-CB 3.4Å; V199-A203 PolarHBondContact O-N 3.46Å; V199-L215 HydrophobicContact CG1-CB 4.28Å; V199-L215 HydrophobicContact CG1-CD1 3.68Å; V199-V218 HydrophobicContact CG2-CB 3.73Å; V199-V218 HydrophobicContact CG2-CG1 4Å; V199-V218 HydrophobicContact CG2-CG2 3.74Å
200	L	84.9	Confident	81.3	Confident	91 Å²	91	56.1 Å²	56.1	48%	0.476	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-46.5	175.2	-62.5	178.4	0	0	0	111.1	S196 V197 A202 A203 F204	S196-L200 PolarHBondContact O-N 3.5Å; V197-L200 PolarHBondContact O-N 3.45Å; L200-A202 VanDerWaalsContact C-N 3.28Å; L200-A202 PolarHBondContact O-N 3.36Å; L200-A203 PolarHBondContact O-N 3.16Å; L200-A203 VanDerWaalsContact O-N 3.14Å; L200-F204 HydrophobicContact CB-CD2 4.23Å; L200-F204 HydrophobicContact CB-CE2 4.18Å; L200-F204 HydrophobicContact CD2-CE2 4.27Å; L200-F204 WeakPolarHBondContact O-CD2 3.45Å; L200-F204 PolarHBondContact O-N 2.88Å
201	N	84.9	Confident	80.7	Confident	14 Å²	14	53.1 Å²	53.1	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-37.9	177.6	-74.1	-21.7	0	0	0	112.1	V197 E198 G205 V206 V207	V197-N201 WeakPolarHBondContact O-CB 3.49Å; V197-N201 PolarHBondContact O-N 2.92Å; V197-N201 PolarHBondContact O-ND2 3.14Å; E198-N201 PolarHBondContact O-N 3.23Å; N201-G205 PolarHBondContact O-N 2.71Å; N201-V206 HydrophobicContact CB-CB 4.34Å; N201-V206 WeakPolarHBondContact O-CB 3.26Å; N201-V206 PolarHBondContact O-N 2.83Å; N201-V207 HydrophobicContact CB-CG2 4.31Å; N201-V207 PolarHBondContact O-N 2.98Å
202	A	82.1	Confident	80.3	Confident	5 Å²	5	58.2 Å²	58.2	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-70	-43.6	174	0	0	0	0	0	111.6	E198 V199 L200 G205 V211	E198-A202 WeakPolarHBondContact O-CB 2.98Å; E198-A202 PolarHBondContact O-N 3.19Å; V199-A202 PolarHBondContact O-N 2.86Å; L200-A202 VanDerWaalsContact C-N 3.28Å; L200-A202 PolarHBondContact O-N 3.36Å; A202-G205 PolarHBondContact O-N 2.96Å; A202-G205 VanDerWaalsContact O-N 3.16Å; A202-V211 HydrophobicContact CB-CG2 4.21Å; A202-V211 WeakPolarHBondContact O-CG2 3.21Å
203	A	81.1	Confident	79.8	Confident	61 Å²	61	59.1 Å²	59.1	50%	0.504	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-42	-178.3	0	0	0	0	0	112.8	V199 L200 G205 V211	V199-A203 VanDerWaalsContact O-CB 3.3Å; V199-A203 WeakPolarHBondContact O-CB 3.4Å; V199-A203 PolarHBondContact O-N 3.46Å; L200-A203 PolarHBondContact O-N 3.16Å; L200-A203 VanDerWaalsContact O-N 3.14Å; A203-G205 PolarHBondContact O-N 2.95Å; A203-V211 HydrophobicContact CB-CG1 4.32Å
204	F	80.1	Confident	79.5	Confident	162 Å²	162	56.8 Å²	56.8	71%	0.711	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	1.6	175.3	-66.8	-62.2	0	0	0	113.5	L200 V206	L200-F204 HydrophobicContact CB-CD2 4.23Å; L200-F204 HydrophobicContact CB-CE2 4.18Å; L200-F204 HydrophobicContact CD2-CE2 4.27Å; L200-F204 WeakPolarHBondContact O-CD2 3.45Å; L200-F204 PolarHBondContact O-N 2.88Å; F204-V206 HydrophobicContact CB-CG2 4.13Å; F204-V206 PolarHBondContact O-N 2.62Å
205	G	71.8	Confident	79.3	Confident	55 Å²	55	58.1 Å²	58.1	57%	0.567	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	18.9	178.8	0	0	0	0	0	114.3	N201 A202 A203 V207	N201-G205 PolarHBondContact O-N 2.71Å; A202-G205 PolarHBondContact O-N 2.96Å; A202-G205 VanDerWaalsContact O-N 3.16Å; A203-G205 PolarHBondContact O-N 2.95Å; G205-V207 PolarHBondContact O-N 3.47Å
206	V	72.3	Confident	79.2	Confident	43 Å²	43	61 Å²	61	26%	0.261	34%	0.339	S	S	.	.	S	Bend	trans	-64	-34.5	174.6	-179.7	0	0	0	0	110	L147 N201 F204	L147-V206 HydrophobicContact CD1-CG1 4.13Å; L147-V206 HydrophobicContact CD2-CG1 4.16Å; L147-V206 HydrophobicContact CG-CG1 4.31Å; N201-V206 HydrophobicContact CB-CB 4.34Å; N201-V206 WeakPolarHBondContact O-CB 3.26Å; N201-V206 PolarHBondContact O-N 2.83Å; F204-V206 HydrophobicContact CB-CG2 4.13Å; F204-V206 PolarHBondContact O-N 2.62Å
207	V	70.5	Confident	79.1	Confident	48 Å²	48	61.1 Å²	61.1	29%	0.291	34%	0.335	S	S	.	.	S	Bend	trans	-121	139.3	176.7	-174.2	0	0	0	0	109.9	L147 N201 G205 T209	L147-V207 HydrophobicContact CD1-CG2 4.39Å; L147-V207 HydrophobicContact CD2-CG2 3.85Å; N201-V207 HydrophobicContact CB-CG2 4.31Å; N201-V207 PolarHBondContact O-N 2.98Å; G205-V207 PolarHBondContact O-N 3.47Å; V207-T209 HydrophobicContact CG1-CG2 3.85Å; V207-T209 PolarHBondContact O-N 3.45Å
208	R	59	Low	79.1	Confident	258 Å²	258	59.8 Å²	59.8	97%	0.974	33%	0.327	S	S	*	.			trans	-76.8	55	176.2	-65	-177.8	-178.5	169.2	0.7	112
209	T	68.8	Low	79.2	Confident	45 Å²	45	62.5 Å²	62.5	28%	0.276	35%	0.345	S	S	.	.	S	Bend	trans	-110.7	152.6	174.9	41.2	0	0	0	0	110.4	V207 V211	V207-T209 HydrophobicContact CG1-CG2 3.85Å; V207-T209 PolarHBondContact O-N 3.45Å; T209-V211 PolarHBondContact O-N 2.92Å
210	G	71.8	Confident	79.3	Confident	30 Å²	30	62.1 Å²	62.1	31%	0.309	35%	0.345	S	S	.	.			trans	-73.3	123.4	175	0	0	0	0	0	110.2	I212 P213 T214	G210-I212 PolarHBondContact O-N 3.44Å; G210-P213 WeakPolarHBondContact O-CD 3.35Å; G210-T214 PolarHBondContact O-N 2.92Å; G210-T214 PolarHBondContact O-OG1 3.46Å; G210-T214 VanDerWaalsContact O-OG1 3.08Å
211	V	78.9	Confident	79.4	Confident	54 Å²	54	59 Å²	59	33%	0.327	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-42.5	-176.9	-174	0	0	0	0	112.5	A202 A203 T209 T214 L215	A202-V211 HydrophobicContact CB-CG2 4.21Å; A202-V211 WeakPolarHBondContact O-CG2 3.21Å; A203-V211 HydrophobicContact CB-CG1 4.32Å; T209-V211 PolarHBondContact O-N 2.92Å; V211-T214 WeakPolarHBondContact CA-OG1 3.31Å; V211-T214 PolarHBondContact O-N 3.3Å; V211-T214 PolarHBondContact O-OG1 3.45Å; V211-L215 VanDerWaalsContact O-CB 3.27Å; V211-L215 WeakPolarHBondContact O-CB 3.3Å; V211-L215 PolarHBondContact O-N 3.07Å
212	I	80.8	Confident	79.6	Confident	110 Å²	110	59.8 Å²	59.8	56%	0.564	33%	0.332	S	S	*	.	H	α-helix	trans	-65.8	-49.5	-175.1	-57.3	-61.1	0	0	0	112.4	G210 T214 L215 I216	G210-I212 PolarHBondContact O-N 3.44Å; I212-T214 PolarHBondContact O-N 3.45Å; I212-L215 PolarHBondContact O-N 3.32Å; I212-I216 HydrophobicContact CG2-CD1 3.86Å; I212-I216 WeakPolarHBondContact O-CG1 3.36Å; I212-I216 PolarHBondContact O-N 3.27Å
213	P	80.4	Confident	79.8	Confident	20 Å²	20	61.6 Å²	61.6	13%	0.13	34%	0.338	C	S	.	.	H	α-helix	trans	-58	-42.8	174.1	-26.3	33.8	0	0	0	113.8	G210 Q217	G210-P213 WeakPolarHBondContact O-CD 3.35Å; P213-Q217 VanDerWaalsContact O-CG 3.28Å; P213-Q217 WeakPolarHBondContact O-CG 3.32Å; P213-Q217 PolarHBondContact O-N 3.01Å; P213-Q217 VanDerWaalsContact O-N 3.13Å
214	T	82.3	Confident	80.1	Confident	23 Å²	23	58.7 Å²	58.7	14%	0.141	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-39.3	179.5	48	0	0	0	0	111.8	G210 V211 I212 Q217 V218	G210-T214 PolarHBondContact O-N 2.92Å; G210-T214 PolarHBondContact O-OG1 3.46Å; G210-T214 VanDerWaalsContact O-OG1 3.08Å; V211-T214 WeakPolarHBondContact CA-OG1 3.31Å; V211-T214 PolarHBondContact O-N 3.3Å; V211-T214 PolarHBondContact O-OG1 3.45Å; I212-T214 PolarHBondContact O-N 3.45Å; T214-Q217 PolarHBondContact O-N 2.73Å; T214-V218 WeakPolarHBondContact O-CG2 3.45Å; T214-V218 PolarHBondContact O-N 3.33Å
215	L	85.3	Confident	80.5	Confident	73 Å²	73	51 Å²	51	38%	0.382	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-49.4	176.8	179.8	68.1	0	0	0	111.3	V199 V211 I212 Q217 V218 V219	V199-L215 HydrophobicContact CG1-CB 4.28Å; V199-L215 HydrophobicContact CG1-CD1 3.68Å; V211-L215 VanDerWaalsContact O-CB 3.27Å; V211-L215 WeakPolarHBondContact O-CB 3.3Å; V211-L215 PolarHBondContact O-N 3.07Å; I212-L215 PolarHBondContact O-N 3.32Å; L215-Q217 VanDerWaalsContact C-N 3.27Å; L215-Q217 PolarHBondContact O-N 3.15Å; L215-V218 PolarHBondContact O-N 3.32Å; L215-V219 HydrophobicContact CD1-CG2 3.75Å; L215-V219 HydrophobicContact CG-CG2 4.18Å; L215-V219 VanDerWaalsContact O-CB 3.31Å; L215-V219 WeakPolarHBondContact O-CB 3.36Å; L215-V219 VanDerWaalsContact O-CG2 3.25Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 3.32Å
216	I	85	Confident	81.2	Confident	62 Å²	62	52.2 Å²	52.2	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-58.8	-41.8	179.6	-68.1	168.3	0	0	0	110.8	I212 G220	I212-I216 HydrophobicContact CG2-CD1 3.86Å; I212-I216 WeakPolarHBondContact O-CG1 3.36Å; I212-I216 PolarHBondContact O-N 3.27Å; I216-G220 PolarHBondContact O-N 3.09Å
217	Q	84.3	Confident	81.7	Confident	44 Å²	44	52.4 Å²	52.4	21%	0.206	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-47	179.6	-73.3	176.7	1.5	0	0	112.6	P213 T214 L215 R221 N339	P213-Q217 VanDerWaalsContact O-CG 3.28Å; P213-Q217 WeakPolarHBondContact O-CG 3.32Å; P213-Q217 PolarHBondContact O-N 3.01Å; P213-Q217 VanDerWaalsContact O-N 3.13Å; T214-Q217 PolarHBondContact O-N 2.73Å; L215-Q217 VanDerWaalsContact C-N 3.27Å; L215-Q217 PolarHBondContact O-N 3.15Å; Q217-R221 WeakPolarHBondContact O-CG 3.42Å; Q217-R221 PolarHBondContact O-N 3.44Å; Q217-R221 VanDerWaalsContact O-N 3.16Å; Q217-N339 PolarHBondContact NE2-OD1 3.28Å
218	V	87.1	Confident	82.3	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-70.4	-42.8	-178.4	174.1	0	0	0	0	111	V199 T214 L215 G220 R221 N222	V199-V218 HydrophobicContact CG2-CB 3.73Å; V199-V218 HydrophobicContact CG2-CG1 4Å; V199-V218 HydrophobicContact CG2-CG2 3.74Å; T214-V218 WeakPolarHBondContact O-CG2 3.45Å; T214-V218 PolarHBondContact O-N 3.33Å; L215-V218 PolarHBondContact O-N 3.32Å; V218-G220 PolarHBondContact O-N 2.99Å; V218-R221 PolarHBondContact O-N 3.43Å; V218-N222 WeakPolarHBondContact O-CB 3.34Å; V218-N222 PolarHBondContact O-N 2.88Å; V218-N222 PolarHBondContact O-OD1 2.8Å; V218-N222 VanDerWaalsContact O-OD1 3.13Å
219	V	87.8	Confident	83.6	Confident	82 Å²	82	37.9 Å²	37.9	50%	0.497	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-43	177.3	172.3	0	0	0	0	111.1	L215 N222 F223	L215-V219 HydrophobicContact CD1-CG2 3.75Å; L215-V219 HydrophobicContact CG-CG2 4.18Å; L215-V219 VanDerWaalsContact O-CB 3.31Å; L215-V219 WeakPolarHBondContact O-CB 3.36Å; L215-V219 VanDerWaalsContact O-CG2 3.25Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 3.32Å; V219-N222 PolarHBondContact O-N 3.35Å; V219-F223 WeakPolarHBondContact O-CB 3.49Å; V219-F223 PolarHBondContact O-N 3.05Å
220	G	86.3	Confident	84.1	Confident	13 Å²	13	37.9 Å²	37.9	13%	0.134	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-47.5	177.3	0	0	0	0	0	112.7	I216 V218 F223 V224 Y328	I216-G220 PolarHBondContact O-N 3.09Å; V218-G220 PolarHBondContact O-N 2.99Å; G220-F223 WeakPolarHBondContact O-CB 3.45Å; G220-F223 PolarHBondContact O-N 2.97Å; G220-V224 PolarHBondContact O-N 3.28Å; G220-V224 VanDerWaalsContact O-N 3.13Å; G220-Y328 WeakPolarHBondContact CA-OH 3.32Å; G220-Y328 PolarHBondContact O-OH 2.94Å; G220-Y328 VanDerWaalsContact O-OH 3.09Å
221	R	87.6	Confident	84.5	Confident	25 Å²	25	37.9 Å²	37.9	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-42.1	176.7	-69.9	-173.4	-179.3	171.4	0.3	112.6	Q192 Q217 V218 F223 V224 L225 W248 E252	Q192-R221 VanDerWaalsContact NE2-CB 3.27Å; Q217-R221 WeakPolarHBondContact O-CG 3.42Å; Q217-R221 PolarHBondContact O-N 3.44Å; Q217-R221 VanDerWaalsContact O-N 3.16Å; V218-R221 PolarHBondContact O-N 3.43Å; R221-F223 VanDerWaalsContact C-N 3.29Å; R221-F223 PolarHBondContact O-N 2.99Å; R221-V224 PolarHBondContact O-N 3.26Å; R221-L225 WeakPolarHBondContact O-CB 3.43Å; R221-L225 PolarHBondContact O-N 2.94Å; R221-W248 HydrophobicContact CB-CH2 3.76Å; R221-W248 HydrophobicContact CB-CZ2 3.85Å; R221-W248 HydrophobicContact CB-CZ3 4.24Å; R221-W248 HydrophobicContact CG-CD2 4.33Å; R221-W248 HydrophobicContact CG-CH2 4.02Å; R221-W248 HydrophobicContact CG-CZ2 3.59Å; R221-W248 WeakPolarHBondContact O-CH2 3.29Å; R221-E252 IonicContact CZ-OE1 3.14Å; R221-E252 IonicContact NH1-OE1 3.13Å; R221-E252 PolarHBondContact NH1-OE1 3Å; R221-E252 IonicContact NH2-OE1 3.4Å; R221-E252 PolarHBondContact NH2-OE1 3.42Å
222	N	88.6	Confident	84.5	Confident	32 Å²	32	35.5 Å²	35.5	17%	0.171	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-37.5	177.3	-71	11.1	0	0	0	111.1	Q192 V218 V219 L225 F226	Q192-N222 WeakPolarHBondContact CG-OD1 3.24Å; Q192-N222 PolarHBondContact NE2-OD1 3.24Å; V218-N222 WeakPolarHBondContact O-CB 3.34Å; V218-N222 PolarHBondContact O-N 2.88Å; V218-N222 PolarHBondContact O-OD1 2.8Å; V218-N222 VanDerWaalsContact O-OD1 3.13Å; V219-N222 PolarHBondContact O-N 3.35Å; N222-L225 PolarHBondContact O-N 3.47Å; N222-F226 HydrophobicContact CB-CD2 4.09Å; N222-F226 HydrophobicContact CB-CE2 4.46Å; N222-F226 WeakPolarHBondContact O-CB 3.34Å; N222-F226 WeakPolarHBondContact O-CD2 3.45Å; N222-F226 PolarHBondContact O-N 3.31Å
223	F	86.6	Confident	84.4	Confident	42 Å²	42	37.5 Å²	37.5	18%	0.184	21%	0.206	C	C	.	.	I	π-helix	trans	-60.6	-50.3	175.3	-174.6	-91.5	0	0	0	110.8	V219 G220 R221 L225 I227 I228 F321 L325 Y328	V219-F223 WeakPolarHBondContact O-CB 3.49Å; V219-F223 PolarHBondContact O-N 3.05Å; G220-F223 WeakPolarHBondContact O-CB 3.45Å; G220-F223 PolarHBondContact O-N 2.97Å; R221-F223 VanDerWaalsContact C-N 3.29Å; R221-F223 PolarHBondContact O-N 2.99Å; F223-L225 PolarHBondContact O-N 3.11Å; F223-I227 HydrophobicContact CD2-CB 4.35Å; F223-I227 HydrophobicContact CD2-CG1 3.87Å; F223-I227 HydrophobicContact CE2-CB 4.33Å; F223-I227 HydrophobicContact CE2-CG1 4.09Å; F223-I227 HydrophobicContact CE2-CG2 4.25Å; F223-I227 HydrophobicContact CG-CG1 4.39Å; F223-I227 HydrophobicContact CZ-CG2 4.26Å; F223-I227 WeakPolarHBondContact O-CA 3.48Å; F223-I227 WeakPolarHBondContact O-CB 3.13Å; F223-I227 PolarHBondContact O-N 3.39Å; F223-I228 HydrophobicContact CE1-CD1 4.43Å; F223-I228 PolarHBondContact O-N 3.25Å; F223-F321 HydrophobicContact CZ-CZ 4.33Å; F223-L325 HydrophobicContact CE1-CD2 3.9Å; F223-L325 HydrophobicContact CZ-CD2 3.94Å; F223-Y328 HydrophobicContact CB-CE2 4.12Å; F223-Y328 AromaticContact CD1-CD1 3.93Å; F223-Y328 HydrophobicContact CD1-CD1 3.93Å; F223-Y328 AromaticContact CD1-CD2 3.88Å; F223-Y328 HydrophobicContact CD1-CD2 3.88Å; F223-Y328 AromaticContact CD1-CE1 3.61Å; F223-Y328 HydrophobicContact CD1-CE1 3.61Å; F223-Y328 AromaticContact CD1-CE2 3.54Å; F223-Y328 HydrophobicContact CD1-CE2 3.54Å; F223-Y328 HydrophobicContact CD1-CG 4.06Å; F223-Y328 AromaticContact CD1-CZ 3.41Å; F223-Y328 VanDerWaalsContact CD1-CZ 3.41Å; F223-Y328 HydrophobicContact CD2-CE2 4.5Å; F223-Y328 AromaticContact CE1-CD1 3.7Å; F223-Y328 HydrophobicContact CE1-CD1 3.7Å; F223-Y328 AromaticContact CE1-CD2 3.9Å; F223-Y328 HydrophobicContact CE1-CD2 3.9Å; F223-Y328 AromaticContact CE1-CE1 3.87Å; F223-Y328 HydrophobicContact CE1-CE1 3.87Å; F223-Y328 HydrophobicContact CE1-CE2 4.06Å; F223-Y328 AromaticContact CE1-CG 3.72Å; F223-Y328 HydrophobicContact CE1-CG 3.72Å; F223-Y328 HydrophobicContact CG-CD2 4.25Å; F223-Y328 AromaticContact CG-CE2 3.8Å; F223-Y328 HydrophobicContact CG-CE2 3.8Å; F223-Y328 AromaticContact CG-CZ 4Å; F223-Y328 HydrophobicContact CZ-CD2 4.29Å; F223-Y328 HydrophobicContact CZ-CG 4.24Å
224	V	87.1	Confident	84.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	I	π-helix	trans	-61.9	-45.2	177.5	176.6	0	0	0	0	111.4	G220 R221 I228 F229 W248 E290	G220-V224 PolarHBondContact O-N 3.28Å; G220-V224 VanDerWaalsContact O-N 3.13Å; R221-V224 PolarHBondContact O-N 3.26Å; V224-I228 HydrophobicContact CB-CD1 4.35Å; V224-I228 HydrophobicContact CG1-CD1 4.33Å; V224-I228 HydrophobicContact CG2-CD1 4.14Å; V224-I228 VanDerWaalsContact O-CB 3.23Å; V224-I228 WeakPolarHBondContact O-CB 2.94Å; V224-I228 PolarHBondContact O-N 3.29Å; V224-F229 HydrophobicContact CG1-CD2 4.27Å; V224-F229 HydrophobicContact CG1-CE2 3.78Å; V224-F229 HydrophobicContact CG1-CZ 4.04Å; V224-F229 PolarHBondContact O-N 3.04Å; V224-W248 HydrophobicContact CB-CH2 4.25Å; V224-W248 HydrophobicContact CB-CZ2 4.43Å; V224-W248 HydrophobicContact CG1-CH2 4.34Å; V224-W248 HydrophobicContact CG1-CZ2 4.48Å; V224-E290 HydrophobicContact CG2-CB 4.22Å; V224-E290 HydrophobicContact CG2-CG 4.16Å
225	L	87.9	Confident	84.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-70.5	-50.6	-175.3	-171.6	67	0	0	0	112.9	M188 F189 Q192 R221 N222 F223 F229 G230 F245 W248	M188-L225 HydrophobicContact CG-CD1 3.97Å; M188-L225 HydrophobicContact CG-CD2 4.14Å; F189-L225 HydrophobicContact CD1-CD1 4.49Å; F189-L225 HydrophobicContact CD1-CD2 3.68Å; F189-L225 HydrophobicContact CD1-CG 3.76Å; F189-L225 HydrophobicContact CE1-CD1 4.22Å; F189-L225 HydrophobicContact CE1-CD2 4.02Å; F189-L225 HydrophobicContact CE1-CG 3.55Å; F189-L225 HydrophobicContact CE2-CD1 4.41Å; F189-L225 HydrophobicContact CG-CD2 4.15Å; F189-L225 HydrophobicContact CG-CG 4.4Å; F189-L225 HydrophobicContact CZ-CD1 4.15Å; F189-L225 HydrophobicContact CZ-CG 3.96Å; Q192-L225 HydrophobicContact CB-CD2 3.55Å; Q192-L225 HydrophobicContact CG-CD2 3.66Å; R221-L225 WeakPolarHBondContact O-CB 3.43Å; R221-L225 PolarHBondContact O-N 2.94Å; N222-L225 PolarHBondContact O-N 3.47Å; F223-L225 PolarHBondContact O-N 3.11Å; L225-F229 HydrophobicContact CD1-CD2 4.23Å; L225-F229 CarbonylContact O-C 3.49Å; L225-G230 PolarHBondContact O-N 3.21Å; L225-F245 HydrophobicContact CD1-CE1 3.62Å; L225-F245 HydrophobicContact CD1-CZ 3.67Å; L225-W248 HydrophobicContact CB-CH2 4.41Å; L225-W248 HydrophobicContact CB-CZ3 4.35Å
226	F	86.2	Confident	84.1	Confident	81 Å²	81	39 Å²	39	36%	0.355	21%	0.208	S	C	.	.	I	π-helix	trans	-84.3	-39.2	-174.2	-71.9	-82.2	0	0	0	113.3	F189 N222 G230	F189-F226 AromaticContact CD1-CD1 3.82Å; F189-F226 HydrophobicContact CD1-CD1 3.82Å; F189-F226 AromaticContact CD1-CE1 3.41Å; F189-F226 HydrophobicContact CD1-CE1 3.41Å; F189-F226 VanDerWaalsContact CD1-CE1 3.41Å; F189-F226 HydrophobicContact CD1-CE2 4.3Å; F189-F226 HydrophobicContact CD1-CG 4.42Å; F189-F226 AromaticContact CD1-CZ 3.69Å; F189-F226 HydrophobicContact CD1-CZ 3.69Å; F189-F226 AromaticContact CE1-CD1 3.56Å; F189-F226 HydrophobicContact CE1-CD1 3.56Å; F189-F226 AromaticContact CE1-CE1 3.69Å; F189-F226 HydrophobicContact CE1-CE1 3.69Å; F189-F226 HydrophobicContact CE1-CG 4.03Å; F189-F226 HydrophobicContact CE1-CZ 4.25Å; N222-F226 HydrophobicContact CB-CD2 4.09Å; N222-F226 HydrophobicContact CB-CE2 4.46Å; N222-F226 WeakPolarHBondContact O-CB 3.34Å; N222-F226 WeakPolarHBondContact O-CD2 3.45Å; N222-F226 PolarHBondContact O-N 3.31Å; F226-G230 VanDerWaalsContact O-CA 3.28Å; F226-G230 WeakPolarHBondContact O-CA 3.11Å; F226-G230 PolarHBondContact O-N 3.04Å
227	I	83.4	Confident	83.9	Confident	48 Å²	48	41 Å²	41	25%	0.246	22%	0.216	C	C	.	.	I	π-helix	trans	-87.3	-42.5	-175.7	-52.7	-62.4	0	0	0	111	F223 S231 F321	F223-I227 HydrophobicContact CD2-CB 4.35Å; F223-I227 HydrophobicContact CD2-CG1 3.87Å; F223-I227 HydrophobicContact CE2-CB 4.33Å; F223-I227 HydrophobicContact CE2-CG1 4.09Å; F223-I227 HydrophobicContact CE2-CG2 4.25Å; F223-I227 HydrophobicContact CG-CG1 4.39Å; F223-I227 HydrophobicContact CZ-CG2 4.26Å; F223-I227 WeakPolarHBondContact O-CA 3.48Å; F223-I227 WeakPolarHBondContact O-CB 3.13Å; F223-I227 PolarHBondContact O-N 3.39Å; I227-S231 WeakPolarHBondContact O-CB 3.4Å; I227-S231 PolarHBondContact O-OG 3.42Å; I227-S231 VanDerWaalsContact O-OG 3.1Å; I227-F321 HydrophobicContact CG2-CE1 4.09Å; I227-F321 HydrophobicContact CG2-CZ 3.62Å
228	I	83.4	Confident	83.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-84.7	-61.3	-177.3	-52.9	176.9	0	0	0	109.9	F223 V224 L232 M235 V294	F223-I228 HydrophobicContact CE1-CD1 4.43Å; F223-I228 PolarHBondContact O-N 3.25Å; V224-I228 HydrophobicContact CB-CD1 4.35Å; V224-I228 HydrophobicContact CG1-CD1 4.33Å; V224-I228 HydrophobicContact CG2-CD1 4.14Å; V224-I228 VanDerWaalsContact O-CB 3.23Å; V224-I228 WeakPolarHBondContact O-CB 2.94Å; V224-I228 PolarHBondContact O-N 3.29Å; I228-L232 WeakPolarHBondContact O-CB 3.26Å; I228-L232 PolarHBondContact O-N 3.25Å; I228-M235 HydrophobicContact CG2-CE 4.38Å; I228-M235 HydrophobicContact CG2-CG 4.43Å; I228-V294 HydrophobicContact CD1-CB 4.18Å; I228-V294 HydrophobicContact CD1-CG2 3.39Å
229	F	85.2	Confident	83.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-77	-32.9	-176.9	-56	-36.5	0	0	0	112.9	F181 V224 L225 M235 H236 V241 V244 F245 A293	F181-F229 HydrophobicContact CD2-CB 4.44Å; F181-F229 HydrophobicContact CE2-CB 3.69Å; F181-F229 HydrophobicContact CZ-CB 4.4Å; V224-F229 HydrophobicContact CG1-CD2 4.27Å; V224-F229 HydrophobicContact CG1-CE2 3.78Å; V224-F229 HydrophobicContact CG1-CZ 4.04Å; V224-F229 PolarHBondContact O-N 3.04Å; L225-F229 HydrophobicContact CD1-CD2 4.23Å; L225-F229 CarbonylContact O-C 3.49Å; F229-M235 HydrophobicContact CD1-CB 4.12Å; F229-M235 HydrophobicContact CE1-CE 4.04Å; F229-H236 PolarHBondContact O-CD2 2.66Å; F229-H236 PolarHBondContact O-NE2 3.02Å; F229-V241 HydrophobicContact CD1-CG2 3.97Å; F229-V241 HydrophobicContact CE1-CG2 3.68Å; F229-V241 HydrophobicContact CZ-CG2 3.99Å; F229-V244 HydrophobicContact CE2-CB 4.31Å; F229-V244 HydrophobicContact CE2-CG1 4.11Å; F229-V244 HydrophobicContact CZ-CB 4.4Å; F229-V244 HydrophobicContact CZ-CG2 4.24Å; F229-F245 AromaticContact CD2-CE1 3.93Å; F229-F245 HydrophobicContact CD2-CE1 3.93Å; F229-F245 HydrophobicContact CD2-CZ 4.35Å; F229-F245 AromaticContact CE2-CE1 3.97Å; F229-F245 HydrophobicContact CE2-CE1 3.97Å; F229-A293 HydrophobicContact CE1-CB 4.07Å; F229-A293 HydrophobicContact CZ-CB 3.98Å
230	G	80.9	Confident	83.9	Confident	45 Å²	45	41.9 Å²	41.9	46%	0.464	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-26.8	178.2	0	0	0	0	0	114.5	L225 F226	L225-G230 PolarHBondContact O-N 3.21Å; F226-G230 VanDerWaalsContact O-CA 3.28Å; F226-G230 WeakPolarHBondContact O-CA 3.11Å; F226-G230 PolarHBondContact O-N 3.04Å
231	S	78.5	Confident	83.9	Confident	30 Å²	30	41.3 Å²	41.3	21%	0.21	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-13.6	-178.2	-48.8	0	0	0	0	114.7	I227 Y307	I227-S231 WeakPolarHBondContact O-CB 3.4Å; I227-S231 PolarHBondContact O-OG 3.42Å; I227-S231 VanDerWaalsContact O-OG 3.1Å; S231-Y307 PolarHBondContact OG-OH 2.66Å
232	L	79.6	Confident	84	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.204	C	C	.	.			trans	-121.7	103.3	-177.6	-61.6	179.3	0	0	0	111.8	I228 E234 M235 H236 I300 F301 L306	I228-L232 WeakPolarHBondContact O-CB 3.26Å; I228-L232 PolarHBondContact O-N 3.25Å; L232-E234 VanDerWaalsContact C-N 3.27Å; L232-E234 PolarHBondContact O-N 3.23Å; L232-M235 HydrophobicContact CB-CB 4.15Å; L232-M235 HydrophobicContact CB-CG 3.76Å; L232-M235 HydrophobicContact CD1-CG 3.77Å; L232-M235 HydrophobicContact CG-CG 4.47Å; L232-M235 WeakPolarHBondContact O-CB 3.44Å; L232-M235 PolarHBondContact O-N 3.46Å; L232-M235 VanDerWaalsContact O-N 3.15Å; L232-H236 PolarHBondContact O-CD2 3.45Å; L232-H236 PolarHBondContact O-NE2 2.87Å; L232-I300 HydrophobicContact CD1-CB 4.24Å; L232-I300 HydrophobicContact CD1-CG2 4.12Å; L232-I300 HydrophobicContact CD2-CG2 3.88Å; L232-I300 HydrophobicContact CG-CG2 4.49Å; L232-F301 HydrophobicContact CD1-CD2 3.65Å; L232-F301 HydrophobicContact CD1-CE1 4.49Å; L232-F301 HydrophobicContact CD1-CE2 3.34Å; L232-F301 HydrophobicContact CD1-CG 4.36Å; L232-F301 HydrophobicContact CD1-CZ 3.81Å; L232-F301 HydrophobicContact CD2-CD1 4.18Å; L232-F301 HydrophobicContact CD2-CD2 4.47Å; L232-F301 HydrophobicContact CD2-CE1 3.95Å; L232-F301 HydrophobicContact CD2-CE2 4.27Å; L232-F301 HydrophobicContact CD2-CG 4.43Å; L232-F301 HydrophobicContact CD2-CZ 4Å; L232-F301 HydrophobicContact CG-CD2 4.37Å; L232-F301 HydrophobicContact CG-CE1 4.21Å; L232-F301 HydrophobicContact CG-CE2 3.83Å; L232-F301 HydrophobicContact CG-CZ 3.73Å; L232-L306 HydrophobicContact CD2-CD1 4.3Å
233	E	79.4	Confident	84.1	Confident	153 Å²	153	44.1 Å²	44.1	72%	0.715	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-63.2	-33	174.7	-63.7	179.5	-178.1	0	0	112.3	M235 H236	E233-M235 PolarHBondContact O-N 3.49Å; E233-M235 VanDerWaalsContact O-N 3.15Å; E233-H236 VanDerWaalsContact O-CB 3.27Å; E233-H236 WeakPolarHBondContact O-CB 3.29Å; E233-H236 VanDerWaalsContact O-CG 3.32Å; E233-H236 PolarHBondContact O-N 2.98Å
234	E	77.9	Confident	84.3	Confident	127 Å²	127	42.1 Å²	42.1	59%	0.593	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-61.6	-22.7	175.5	-68.2	-62.3	146.5	0	0	113.5	L232 I300	L232-E234 VanDerWaalsContact C-N 3.27Å; L232-E234 PolarHBondContact O-N 3.23Å; E234-I300 HydrophobicContact CB-CD1 4.24Å; E234-I300 HydrophobicContact CB-CG2 4.08Å; E234-I300 HydrophobicContact CG-CG2 4.4Å
235	M	80.6	Confident	84.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-80.2	-18.4	176.7	-71.4	-64.4	-64.4	0	0	112.6	I228 F229 L232 E233 H237 R238 V241 A293 Q296 I300	I228-M235 HydrophobicContact CG2-CE 4.38Å; I228-M235 HydrophobicContact CG2-CG 4.43Å; F229-M235 HydrophobicContact CD1-CB 4.12Å; F229-M235 HydrophobicContact CE1-CE 4.04Å; L232-M235 HydrophobicContact CB-CB 4.15Å; L232-M235 HydrophobicContact CB-CG 3.76Å; L232-M235 HydrophobicContact CD1-CG 3.77Å; L232-M235 HydrophobicContact CG-CG 4.47Å; L232-M235 WeakPolarHBondContact O-CB 3.44Å; L232-M235 PolarHBondContact O-N 3.46Å; L232-M235 VanDerWaalsContact O-N 3.15Å; E233-M235 PolarHBondContact O-N 3.49Å; E233-M235 VanDerWaalsContact O-N 3.15Å; M235-H237 VanDerWaalsContact C-N 3.26Å; M235-H237 PolarHBondContact O-N 3.45Å; M235-R238 WeakPolarHBondContact O-CB 3.08Å; M235-R238 PolarHBondContact O-N 2.73Å; M235-R238 VanDerWaalsContact O-N 3.1Å; M235-R238 HydrophobicContact SD-CG 4.24Å; M235-V241 WeakPolarHBondContact O-CG2 3.4Å; M235-A293 HydrophobicContact CE-CB 4.41Å; M235-Q296 HydrophobicContact CE-CB 4.23Å; M235-Q296 HydrophobicContact SD-CB 4.3Å; M235-I300 HydrophobicContact CG-CD1 4.15Å; M235-I300 HydrophobicContact SD-CD1 3.63Å
236	H	82.9	Confident	84.7	Confident	21 Å²	21	45.5 Å²	45.5	10%	0.097	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.7	-176.1	-60.9	173.7	0	0	0	112	F181 F229 L232 E233 R238	F181-H236 HydrophobicContact CB-CB 3.87Å; F181-H236 HydrophobicContact CD1-CB 3.69Å; F181-H236 AromaticContact CD1-CD2 3.42Å; F181-H236 VanDerWaalsContact CD1-CD2 3.42Å; F181-H236 WeakPolarHBondContact CD1-CD2 3.36Å; F181-H236 AromaticContact CD1-CE1 3.7Å; F181-H236 AromaticContact CD1-CG 3.2Å; F181-H236 AromaticContact CD1-ND1 3.4Å; F181-H236 WeakPolarHBondContact CD1-ND1 3.5Å; F181-H236 AromaticContact CD1-NE2 3.73Å; F181-H236 AromaticContact CD2-CD2 3.9Å; F181-H236 HydrophobicContact CE1-CB 4.46Å; F181-H236 AromaticContact CE1-CD2 3.35Å; F181-H236 WeakPolarHBondContact CE1-CD2 3.42Å; F181-H236 AromaticContact CE1-CE1 3.18Å; F181-H236 WeakPolarHBondContact CE1-CE1 3.11Å; F181-H236 AromaticContact CE1-CG 3.51Å; F181-H236 AromaticContact CE1-ND1 3.4Å; F181-H236 WeakPolarHBondContact CE1-ND1 3.35Å; F181-H236 AromaticContact CE1-NE2 3.16Å; F181-H236 WeakPolarHBondContact CE1-NE2 3.48Å; F181-H236 AromaticContact CE2-CD2 3.85Å; F181-H236 HydrophobicContact CG-CB 3.82Å; F181-H236 AromaticContact CG-CD2 3.69Å; F181-H236 AromaticContact CG-CG 3.68Å; F181-H236 AromaticContact CZ-CD2 3.56Å; F181-H236 AromaticContact CZ-CE1 3.79Å; F181-H236 AromaticContact CZ-NE2 3.3Å; F181-H236 VanDerWaalsContact CZ-NE2 3.3Å; F181-H236 WeakPolarHBondContact CZ-NE2 3.36Å; F229-H236 PolarHBondContact O-CD2 2.66Å; F229-H236 PolarHBondContact O-NE2 3.02Å; L232-H236 PolarHBondContact O-CD2 3.45Å; L232-H236 PolarHBondContact O-NE2 2.87Å; E233-H236 VanDerWaalsContact O-CB 3.27Å; E233-H236 WeakPolarHBondContact O-CB 3.29Å; E233-H236 VanDerWaalsContact O-CG 3.32Å; E233-H236 PolarHBondContact O-N 2.98Å; H236-R238 VanDerWaalsContact C-N 3.29Å; H236-R238 PolarHBondContact O-N 2.92Å
237	H	81.3	Confident	84.9	Confident	103 Å²	103	42.7 Å²	42.7	48%	0.477	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	13	178.5	-53.3	90	0	0	0	112.7	Y178 H182 M235	Y178-H237 WeakPolarHBondContact CD1-O 3.38Å; Y178-H237 VanDerWaalsContact CE1-O 3.31Å; Y178-H237 WeakPolarHBondContact CE1-O 3.3Å; H182-H237 AromaticContact NE2-NE2 3.97Å; M235-H237 VanDerWaalsContact C-N 3.26Å; M235-H237 PolarHBondContact O-N 3.45Å
238	R	84.5	Confident	85.3	Confident	108 Å²	108	40.5 Å²	40.5	41%	0.408	20%	0.2	S	C	.	.	S	Bend	trans	-97.1	136.4	178	-64.7	-63.6	-171.6	124	-5.6	110.3	M235 H236 V240 V241	M235-R238 WeakPolarHBondContact O-CB 3.08Å; M235-R238 PolarHBondContact O-N 2.73Å; M235-R238 VanDerWaalsContact O-N 3.1Å; M235-R238 HydrophobicContact SD-CG 4.24Å; H236-R238 VanDerWaalsContact C-N 3.29Å; H236-R238 PolarHBondContact O-N 2.92Å; R238-V240 PolarHBondContact O-N 3.47Å; R238-V241 PolarHBondContact O-N 2.94Å; R238-V241 VanDerWaalsContact O-N 3.11Å
239	P	85.4	Confident	85.7	Confident	38 Å²	38	40.5 Å²	40.5	25%	0.247	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-14.8	180	27.1	-35.9	0	0	0	113.1	L177 V241 F242 F243	L177-P239 HydrophobicContact CB-CB 4.17Å; L177-P239 HydrophobicContact CD1-CB 4.42Å; P239-V241 PolarHBondContact O-N 2.93Å; P239-F242 WeakPolarHBondContact O-CB 3.3Å; P239-F242 PolarHBondContact O-N 2.99Å; P239-F243 WeakPolarHBondContact O-CD2 3.22Å; P239-F243 PolarHBondContact O-N 3.5Å
240	V	87.8	Confident	86	Confident	10 Å²	10	41 Å²	41	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-35	176.1	-174.7	0	0	0	0	111.7	R238 F242 F243 V244 A289 V292 A293	R238-V240 PolarHBondContact O-N 3.47Å; V240-F242 VanDerWaalsContact C-N 3.29Å; V240-F242 PolarHBondContact O-N 3.36Å; V240-F243 PolarHBondContact O-N 3.36Å; V240-V244 HydrophobicContact CG1-CG2 4.26Å; V240-V244 WeakPolarHBondContact O-CG2 3.23Å; V240-V244 PolarHBondContact O-N 3.26Å; V240-A289 WeakPolarHBondContact CG1-O 3.33Å; V240-V292 HydrophobicContact CG1-CB 4.48Å; V240-V292 HydrophobicContact CG1-CG1 4.3Å; V240-V292 HydrophobicContact CG2-CG1 3.83Å; V240-A293 HydrophobicContact CG1-CB 3.65Å
241	V	87.3	Confident	86.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-45	177.4	178.2	0	0	0	0	110.6	F181 F229 M235 R238 P239 F243 V244 F245	F181-V241 HydrophobicContact CB-CG1 4.14Å; F181-V241 HydrophobicContact CD2-CG1 3.88Å; F229-V241 HydrophobicContact CD1-CG2 3.97Å; F229-V241 HydrophobicContact CE1-CG2 3.68Å; F229-V241 HydrophobicContact CZ-CG2 3.99Å; M235-V241 WeakPolarHBondContact O-CG2 3.4Å; R238-V241 PolarHBondContact O-N 2.94Å; R238-V241 VanDerWaalsContact O-N 3.11Å; P239-V241 PolarHBondContact O-N 2.93Å; V241-F243 PolarHBondContact O-N 3Å; V241-V244 PolarHBondContact O-N 3.44Å; V241-F245 HydrophobicContact CG1-CD1 4.48Å; V241-F245 HydrophobicContact CG1-CD2 4.11Å; V241-F245 HydrophobicContact CG1-CE1 4.29Å; V241-F245 HydrophobicContact CG1-CE2 3.91Å; V241-F245 HydrophobicContact CG1-CG 4.39Å; V241-F245 HydrophobicContact CG1-CZ 4.01Å; V241-F245 WeakPolarHBondContact O-CB 3.15Å; V241-F245 PolarHBondContact O-N 2.9Å
242	F	89	Confident	87	Confident	10 Å²	10	38.2 Å²	38.2	4%	0.044	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-49.8	176.1	178.1	-85.9	0	0	0	111.5	M165 L169 L177 T180 P239 V240 V244 F245 Y246	M165-F242 HydrophobicContact CB-CE2 4.14Å; M165-F242 HydrophobicContact CE-CB 4.31Å; M165-F242 HydrophobicContact CE-CD1 4.4Å; M165-F242 HydrophobicContact CE-CD2 3.24Å; M165-F242 HydrophobicContact CE-CE2 3.46Å; M165-F242 VanDerWaalsContact CE-CE2 3.46Å; M165-F242 HydrophobicContact CE-CG 3.75Å; M165-F242 HydrophobicContact CE-CZ 4.1Å; M165-F242 VanDerWaalsContact CE-O 3.29Å; M165-F242 WeakPolarHBondContact CE-O 3.28Å; L169-F242 HydrophobicContact CB-CZ 4.4Å; L169-F242 HydrophobicContact CD1-CE1 3.89Å; L169-F242 HydrophobicContact CD1-CE2 4.09Å; L169-F242 HydrophobicContact CD1-CZ 3.45Å; L169-F242 VanDerWaalsContact CD1-CZ 3.45Å; L177-F242 HydrophobicContact CD2-CB 3.93Å; L177-F242 HydrophobicContact CD2-CD1 3.5Å; L177-F242 VanDerWaalsContact CD2-CD1 3.5Å; L177-F242 HydrophobicContact CD2-CD2 3.82Å; L177-F242 HydrophobicContact CD2-CE1 3.96Å; L177-F242 HydrophobicContact CD2-CE2 4.23Å; L177-F242 HydrophobicContact CD2-CG 3.45Å; L177-F242 VanDerWaalsContact CD2-CG 3.45Å; L177-F242 HydrophobicContact CD2-CZ 4.32Å; T180-F242 HydrophobicContact CG2-CB 4.41Å; T180-F242 HydrophobicContact CG2-CD2 4.29Å; T180-F242 WeakPolarHBondContact OG1-CD2 3.42Å; P239-F242 WeakPolarHBondContact O-CB 3.3Å; P239-F242 PolarHBondContact O-N 2.99Å; V240-F242 VanDerWaalsContact C-N 3.29Å; V240-F242 PolarHBondContact O-N 3.36Å; F242-V244 VanDerWaalsContact C-N 3.34Å; F242-V244 PolarHBondContact O-N 2.87Å; F242-F245 PolarHBondContact O-N 3.21Å; F242-Y246 HydrophobicContact CE1-CD2 4.46Å; F242-Y246 HydrophobicContact CE1-CG 4.31Å; F242-Y246 HydrophobicContact CZ-CD2 4.1Å; F242-Y246 HydrophobicContact CZ-CG 4.4Å; F242-Y246 WeakPolarHBondContact O-CB 3.43Å; F242-Y246 PolarHBondContact O-N 3.09Å
243	F	90.2	Very high	87.5	Confident	107 Å²	107	39.5 Å²	39.5	47%	0.469	18%	0.183	S	C	.	.	H	α-helix	trans	-62.2	-41.7	-179.4	-71	-68.1	0	0	0	112.5	P239 V240 V241 L247 A289	P239-F243 WeakPolarHBondContact O-CD2 3.22Å; P239-F243 PolarHBondContact O-N 3.5Å; V240-F243 PolarHBondContact O-N 3.36Å; V241-F243 PolarHBondContact O-N 3Å; F243-L247 VanDerWaalsContact O-CB 3.3Å; F243-L247 WeakPolarHBondContact O-CB 3.26Å; F243-L247 WeakPolarHBondContact O-CD1 3.32Å; F243-L247 WeakPolarHBondContact O-CG 3.39Å; F243-L247 PolarHBondContact O-N 2.91Å; F243-A289 HydrophobicContact CB-CB 4.24Å
244	V	91.4	Very high	87.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-52.3	177.6	174.9	0	0	0	0	110.4	F229 V240 V241 F242 Y246 L247 W248 A289 E290	F229-V244 HydrophobicContact CE2-CB 4.31Å; F229-V244 HydrophobicContact CE2-CG1 4.11Å; F229-V244 HydrophobicContact CZ-CB 4.4Å; F229-V244 HydrophobicContact CZ-CG2 4.24Å; V240-V244 HydrophobicContact CG1-CG2 4.26Å; V240-V244 WeakPolarHBondContact O-CG2 3.23Å; V240-V244 PolarHBondContact O-N 3.26Å; V241-V244 PolarHBondContact O-N 3.44Å; F242-V244 VanDerWaalsContact C-N 3.34Å; F242-V244 PolarHBondContact O-N 2.87Å; V244-Y246 VanDerWaalsContact C-N 3.35Å; V244-Y246 PolarHBondContact O-N 3.43Å; V244-L247 PolarHBondContact O-N 3.38Å; V244-W248 HydrophobicContact CG1-CD2 3.8Å; V244-W248 VanDerWaalsContact CG1-CE2 3.42Å; V244-W248 HydrophobicContact CG1-CE3 4.15Å; V244-W248 HydrophobicContact CG1-CG 4.43Å; V244-W248 HydrophobicContact CG1-CH2 3.84Å; V244-W248 HydrophobicContact CG1-CZ2 3.45Å; V244-W248 VanDerWaalsContact CG1-CZ2 3.45Å; V244-W248 HydrophobicContact CG1-CZ3 4.17Å; V244-W248 WeakPolarHBondContact O-CB 3.43Å; V244-W248 VanDerWaalsContact O-CG 3.22Å; V244-W248 PolarHBondContact O-N 2.98Å; V244-A289 HydrophobicContact CG2-CB 3.79Å; V244-E290 HydrophobicContact CG1-CG 4.42Å
245	F	91.9	Very high	88.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-37.8	-177	-74.1	8.9	0	0	0	112.5	M165 T180 F181 I184 M188 L225 F229 V241 F242 S249	M165-F245 HydrophobicContact CE-CB 3.91Å; M165-F245 HydrophobicContact SD-CB 3.82Å; T180-F245 HydrophobicContact CG2-CD2 4.23Å; F181-F245 HydrophobicContact CD2-CE2 4.38Å; F181-F245 HydrophobicContact CD2-CZ 4.24Å; F181-F245 HydrophobicContact CE2-CZ 4.38Å; I184-F245 HydrophobicContact CB-CD2 4.41Å; I184-F245 HydrophobicContact CG2-CD2 3.76Å; I184-F245 HydrophobicContact CG2-CE2 4.25Å; M188-F245 HydrophobicContact CB-CD2 4.49Å; M188-F245 HydrophobicContact CB-CE2 4.1Å; M188-F245 HydrophobicContact CB-CZ 4.16Å; M188-F245 HydrophobicContact CE-CB 3.64Å; M188-F245 HydrophobicContact CE-CD1 3.79Å; M188-F245 HydrophobicContact CE-CD2 4.05Å; M188-F245 HydrophobicContact CE-CE1 4.46Å; M188-F245 HydrophobicContact CE-CG 3.56Å; M188-F245 HydrophobicContact CG-CD1 4.1Å; M188-F245 HydrophobicContact CG-CD2 4.43Å; M188-F245 HydrophobicContact CG-CE1 3.83Å; M188-F245 HydrophobicContact CG-CE2 4.17Å; M188-F245 HydrophobicContact CG-CG 4.41Å; M188-F245 HydrophobicContact CG-CZ 3.86Å; L225-F245 HydrophobicContact CD1-CE1 3.62Å; L225-F245 HydrophobicContact CD1-CZ 3.67Å; F229-F245 AromaticContact CD2-CE1 3.93Å; F229-F245 HydrophobicContact CD2-CE1 3.93Å; F229-F245 HydrophobicContact CD2-CZ 4.35Å; F229-F245 AromaticContact CE2-CE1 3.97Å; F229-F245 HydrophobicContact CE2-CE1 3.97Å; V241-F245 HydrophobicContact CG1-CD1 4.48Å; V241-F245 HydrophobicContact CG1-CD2 4.11Å; V241-F245 HydrophobicContact CG1-CE1 4.29Å; V241-F245 HydrophobicContact CG1-CE2 3.91Å; V241-F245 HydrophobicContact CG1-CG 4.39Å; V241-F245 HydrophobicContact CG1-CZ 4.01Å; V241-F245 WeakPolarHBondContact O-CB 3.15Å; V241-F245 PolarHBondContact O-N 2.9Å; F242-F245 PolarHBondContact O-N 3.21Å; F245-S249 WeakPolarHBondContact O-CB 3.23Å; F245-S249 PolarHBondContact O-N 3.34Å; F245-S249 PolarHBondContact O-OG 3.29Å
246	Y	91.4	Very high	88.7	Confident	71 Å²	71	29.9 Å²	29.9	28%	0.278	14%	0.136	S	C	.	.	H	α-helix	trans	-66.8	-47.7	177.9	-169	-97.8	0	0	0	111.8	F162 M165 F242 V244 W248 S249 A250	F162-Y246 HydrophobicContact CD2-CD2 4.23Å; F162-Y246 AromaticContact CD2-CE2 3.83Å; F162-Y246 HydrophobicContact CD2-CE2 3.83Å; F162-Y246 HydrophobicContact CE2-CD2 4.26Å; F162-Y246 HydrophobicContact CE2-CE1 4.03Å; F162-Y246 AromaticContact CE2-CE2 3.52Å; F162-Y246 HydrophobicContact CE2-CE2 3.52Å; F162-Y246 AromaticContact CE2-CZ 3.39Å; F162-Y246 WeakPolarHBondContact CE2-OH 3.35Å; F162-Y246 HydrophobicContact CZ-CE2 4.19Å; F162-Y246 AromaticContact CZ-CZ 3.92Å; F162-Y246 WeakPolarHBondContact CZ-OH 3.25Å; M165-Y246 HydrophobicContact CB-CD2 4.26Å; M165-Y246 HydrophobicContact CE-CD2 4.44Å; F242-Y246 HydrophobicContact CE1-CD2 4.46Å; F242-Y246 HydrophobicContact CE1-CG 4.31Å; F242-Y246 HydrophobicContact CZ-CD2 4.1Å; F242-Y246 HydrophobicContact CZ-CG 4.4Å; F242-Y246 WeakPolarHBondContact O-CB 3.43Å; F242-Y246 PolarHBondContact O-N 3.09Å; V244-Y246 VanDerWaalsContact C-N 3.35Å; V244-Y246 PolarHBondContact O-N 3.43Å; Y246-W248 PolarHBondContact O-N 3.47Å; Y246-S249 PolarHBondContact O-N 3.49Å; Y246-S249 PolarHBondContact O-OG 3.38Å; Y246-A250 WeakPolarHBondContact O-CB 3.33Å; Y246-A250 PolarHBondContact O-N 2.95Å
247	L	91.7	Very high	89	Confident	22 Å²	22	30.1 Å²	30.1	12%	0.115	14%	0.14	C	C	.	.	H	α-helix	trans	-66.9	-38.2	179.7	-69	169	0	0	0	111.7	F243 V244 I251 L282 L285 A289	F243-L247 VanDerWaalsContact O-CB 3.3Å; F243-L247 WeakPolarHBondContact O-CB 3.26Å; F243-L247 WeakPolarHBondContact O-CD1 3.32Å; F243-L247 WeakPolarHBondContact O-CG 3.39Å; F243-L247 PolarHBondContact O-N 2.91Å; V244-L247 PolarHBondContact O-N 3.38Å; L247-I251 WeakPolarHBondContact O-CG1 3.38Å; L247-I251 PolarHBondContact O-N 3.36Å; L247-L282 HydrophobicContact CD2-CD2 3.78Å; L247-L285 HydrophobicContact CD1-CB 3.97Å; L247-L285 HydrophobicContact CD2-CB 4.13Å; L247-A289 HydrophobicContact CD1-CB 4.02Å
248	W	91.4	Very high	89.3	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-56.5	173.6	-72.4	3	0	0	0	110.8	M188 R221 V224 L225 V244 Y246 A250 I251 E252 E290	M188-W248 HydrophobicContact SD-CE3 4.1Å; R221-W248 HydrophobicContact CB-CH2 3.76Å; R221-W248 HydrophobicContact CB-CZ2 3.85Å; R221-W248 HydrophobicContact CB-CZ3 4.24Å; R221-W248 HydrophobicContact CG-CD2 4.33Å; R221-W248 HydrophobicContact CG-CH2 4.02Å; R221-W248 HydrophobicContact CG-CZ2 3.59Å; R221-W248 WeakPolarHBondContact O-CH2 3.29Å; V224-W248 HydrophobicContact CB-CH2 4.25Å; V224-W248 HydrophobicContact CB-CZ2 4.43Å; V224-W248 HydrophobicContact CG1-CH2 4.34Å; V224-W248 HydrophobicContact CG1-CZ2 4.48Å; L225-W248 HydrophobicContact CB-CH2 4.41Å; L225-W248 HydrophobicContact CB-CZ3 4.35Å; V244-W248 HydrophobicContact CG1-CD2 3.8Å; V244-W248 VanDerWaalsContact CG1-CE2 3.42Å; V244-W248 HydrophobicContact CG1-CE3 4.15Å; V244-W248 HydrophobicContact CG1-CG 4.43Å; V244-W248 HydrophobicContact CG1-CH2 3.84Å; V244-W248 HydrophobicContact CG1-CZ2 3.45Å; V244-W248 VanDerWaalsContact CG1-CZ2 3.45Å; V244-W248 HydrophobicContact CG1-CZ3 4.17Å; V244-W248 WeakPolarHBondContact O-CB 3.43Å; V244-W248 VanDerWaalsContact O-CG 3.22Å; V244-W248 PolarHBondContact O-N 2.98Å; Y246-W248 PolarHBondContact O-N 3.47Å; W248-A250 VanDerWaalsContact C-N 3.31Å; W248-A250 PolarHBondContact O-N 2.74Å; W248-I251 PolarHBondContact O-N 2.97Å; W248-E252 VanDerWaalsContact O-CG 3.27Å; W248-E252 WeakPolarHBondContact O-CG 3.27Å; W248-E252 PolarHBondContact O-N 3.03Å; W248-E252 VanDerWaalsContact O-N 3.16Å; W248-E290 HydrophobicContact CZ2-CG 3.99Å; W248-E290 WeakPolarHBondContact CZ2-OE1 3.33Å; W248-E290 PolarHBondContact NE1-OE1 3.38Å
249	S	92.1	Very high	89.3	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-38.4	-178.8	58.2	0	0	0	0	113.2	F245 Y246 I251 E252 I253	F245-S249 WeakPolarHBondContact O-CB 3.23Å; F245-S249 PolarHBondContact O-N 3.34Å; F245-S249 PolarHBondContact O-OG 3.29Å; Y246-S249 PolarHBondContact O-N 3.49Å; Y246-S249 PolarHBondContact O-OG 3.38Å; S249-I251 PolarHBondContact O-N 3.24Å; S249-E252 PolarHBondContact O-N 3.26Å; S249-E252 VanDerWaalsContact O-N 3.16Å; S249-I253 WeakPolarHBondContact O-CG1 3.35Å; S249-I253 PolarHBondContact O-N 3.02Å
250	A	91.2	Very high	89.4	Confident	10 Å²	10	24.6 Å²	24.6	8%	0.083	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-39.8	176.8	0	0	0	0	0	113.3	F162 Y246 W248 E252 F254 L282	F162-A250 HydrophobicContact CD2-CB 4.17Å; F162-A250 HydrophobicContact CE2-CB 3.85Å; Y246-A250 WeakPolarHBondContact O-CB 3.33Å; Y246-A250 PolarHBondContact O-N 2.95Å; W248-A250 VanDerWaalsContact C-N 3.31Å; W248-A250 PolarHBondContact O-N 2.74Å; A250-E252 VanDerWaalsContact C-N 3.34Å; A250-F254 WeakPolarHBondContact O-CD2 3.41Å; A250-L282 HydrophobicContact CB-CD2 3.69Å
251	I	89.8	Confident	89.2	Confident	17 Å²	17	26.3 Å²	26.3	9%	0.087	12%	0.122	C	C	.	.	H	α-helix	trans	-66.8	-41.7	175	-66.3	168	0	0	0	110.3	L247 W248 S249 F254 R255 L282	L247-I251 WeakPolarHBondContact O-CG1 3.38Å; L247-I251 PolarHBondContact O-N 3.36Å; W248-I251 PolarHBondContact O-N 2.97Å; S249-I251 PolarHBondContact O-N 3.24Å; I251-F254 PolarHBondContact O-N 3.17Å; I251-R255 PolarHBondContact O-N 3.22Å; I251-L282 HydrophobicContact CD1-CB 3.83Å; I251-L282 HydrophobicContact CG1-CB 3.54Å; I251-L282 HydrophobicContact CG1-CD2 4.09Å; I251-L282 HydrophobicContact CG1-CG 4.31Å
252	E	89.6	Confident	88.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.8	-33.4	-172.5	-66.7	-53.7	150	0	0	113.2	F158 R221 W248 S249 A250 F254 R255 Y256	F158-E252 HydrophobicContact CB-CB 3.89Å; F158-E252 HydrophobicContact CD1-CB 3.86Å; F158-E252 HydrophobicContact CD1-CG 4Å; F158-E252 HydrophobicContact CD2-CB 3.68Å; F158-E252 HydrophobicContact CD2-CG 4.01Å; F158-E252 HydrophobicContact CE1-CB 4.29Å; F158-E252 HydrophobicContact CE1-CG 3.91Å; F158-E252 HydrophobicContact CE2-CB 4.12Å; F158-E252 HydrophobicContact CE2-CG 3.91Å; F158-E252 HydrophobicContact CG-CB 3.52Å; F158-E252 HydrophobicContact CG-CG 4.05Å; F158-E252 HydrophobicContact CZ-CB 4.41Å; F158-E252 HydrophobicContact CZ-CG 3.86Å; R221-E252 IonicContact CZ-OE1 3.14Å; R221-E252 IonicContact NH1-OE1 3.13Å; R221-E252 PolarHBondContact NH1-OE1 3Å; R221-E252 IonicContact NH2-OE1 3.4Å; R221-E252 PolarHBondContact NH2-OE1 3.42Å; W248-E252 VanDerWaalsContact O-CG 3.27Å; W248-E252 WeakPolarHBondContact O-CG 3.27Å; W248-E252 PolarHBondContact O-N 3.03Å; W248-E252 VanDerWaalsContact O-N 3.16Å; S249-E252 PolarHBondContact O-N 3.26Å; S249-E252 VanDerWaalsContact O-N 3.16Å; A250-E252 VanDerWaalsContact C-N 3.34Å; E252-F254 PolarHBondContact O-N 3.16Å; E252-R255 PolarHBondContact O-N 2.72Å; E252-R255 IonicContact OE1-CZ 2.74Å; E252-R255 IonicContact OE1-NE 3.24Å; E252-R255 IonicContact OE1-NH1 3.37Å; E252-R255 PolarHBondContact OE1-NH1 3.45Å; E252-R255 IonicContact OE1-NH2 3.58Å; E252-R255 PolarHBondContact OE1-NH2 3.33Å; E252-R255 WeakPolarHBondContact OE2-CD 3.3Å; E252-R255 IonicContact OE2-CZ 3.67Å; E252-R255 IonicContact OE2-NE 3.35Å; E252-R255 PolarHBondContact OE2-NE 2.95Å; E252-R255 IonicContact OE2-NH1 2.81Å; E252-R255 PolarHBondContact OE2-NH1 2.95Å; E252-R255 IonicContact OE2-NH2 3.46Å; E252-R255 PolarHBondContact OE2-NH2 3.37Å; E252-Y256 HydrophobicContact CB-CD2 4.08Å; E252-Y256 HydrophobicContact CB-CE2 3.84Å; E252-Y256 HydrophobicContact CG-CE2 4.18Å; E252-Y256 WeakPolarHBondContact O-CD2 3.34Å; E252-Y256 PolarHBondContact O-N 3.39Å; E252-Y256 VanDerWaalsContact O-N 3.12Å; E252-Y256 WeakPolarHBondContact OE2-CE2 3.37Å
253	I	90.1	Very high	88.5	Confident	30 Å²	30	29.5 Å²	29.5	15%	0.154	15%	0.153	C	C	.	.	H	α-helix	trans	-55	-36.1	174.6	-79.4	163.9	0	0	0	112.9	F162 S249 P257	F162-I253 HydrophobicContact CB-CD1 3.23Å; F162-I253 HydrophobicContact CB-CG1 4.4Å; F162-I253 HydrophobicContact CD1-CD1 3.34Å; F162-I253 HydrophobicContact CD2-CD1 3.73Å; F162-I253 HydrophobicContact CE1-CD1 4.08Å; F162-I253 HydrophobicContact CE2-CD1 4.4Å; F162-I253 HydrophobicContact CG-CD1 3.14Å; S249-I253 WeakPolarHBondContact O-CG1 3.35Å; S249-I253 PolarHBondContact O-N 3.02Å; I253-P257 WeakPolarHBondContact O-CD 3.42Å; I253-P257 WeakPolarHBondContact O-CG 3.34Å
254	F	88.3	Confident	88	Confident	65 Å²	65	30.5 Å²	30.5	29%	0.285	16%	0.157	S	C	.	.	H	α-helix	trans	-88.2	-21.8	178.1	-59.7	-72.6	0	0	0	112.6	A250 I251 E252 L274 V278	A250-F254 WeakPolarHBondContact O-CD2 3.41Å; I251-F254 PolarHBondContact O-N 3.17Å; E252-F254 PolarHBondContact O-N 3.16Å; F254-L274 HydrophobicContact CD1-CB 4.29Å; F254-L274 HydrophobicContact CD1-CD1 3.94Å; F254-L274 HydrophobicContact CE1-CD1 3.95Å; F254-V278 HydrophobicContact CD2-CG1 3.81Å; F254-V278 HydrophobicContact CD2-CG2 4.23Å; F254-V278 HydrophobicContact CE2-CG1 4.24Å; F254-V278 HydrophobicContact CE2-CG2 4.49Å; F254-V278 HydrophobicContact CG-CG2 4.48Å
255	R	87.6	Confident	87.3	Confident	13 Å²	13	37.6 Å²	37.6	5%	0.049	20%	0.195	C	C	.	.	H	α-helix	trans	-75.8	-51.5	-175.6	-175.2	175.4	88.3	176.7	10.1	112.2	E198 I251 E252 F258 Y259	E198-R255 IonicContact OE1-CZ 2.91Å; E198-R255 IonicContact OE1-NH2 3.54Å; E198-R255 PolarHBondContact OE1-NH2 2.85Å; E198-R255 IonicContact OE2-CZ 3.85Å; E198-R255 IonicContact OE2-NH1 3.52Å; E198-R255 IonicContact OE2-NH2 2.66Å; E198-R255 PolarHBondContact OE2-NH2 3.31Å; I251-R255 PolarHBondContact O-N 3.22Å; E252-R255 PolarHBondContact O-N 2.72Å; E252-R255 IonicContact OE1-CZ 2.74Å; E252-R255 IonicContact OE1-NE 3.24Å; E252-R255 IonicContact OE1-NH1 3.37Å; E252-R255 PolarHBondContact OE1-NH1 3.45Å; E252-R255 IonicContact OE1-NH2 3.58Å; E252-R255 PolarHBondContact OE1-NH2 3.33Å; E252-R255 WeakPolarHBondContact OE2-CD 3.3Å; E252-R255 IonicContact OE2-CZ 3.67Å; E252-R255 IonicContact OE2-NE 3.35Å; E252-R255 PolarHBondContact OE2-NE 2.95Å; E252-R255 IonicContact OE2-NH1 2.81Å; E252-R255 PolarHBondContact OE2-NH1 2.95Å; E252-R255 IonicContact OE2-NH2 3.46Å; E252-R255 PolarHBondContact OE2-NH2 3.37Å; R255-F258 WeakPolarHBondContact O-CB 3.3Å; R255-F258 PolarHBondContact O-N 3.46Å; R255-Y259 HydrophobicContact CG-CD2 4.02Å; R255-Y259 HydrophobicContact CG-CE2 3.39Å; R255-Y259 PolarHBondContact O-N 3.41Å
256	Y	88.9	Confident	86.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-41.8	-173.9	-69.3	-66.4	0	0	0	113.9	Y150 N151 Q154 F158 E198 E252 F258 Y259 I260	Y150-Y256 HydrophobicContact CE1-CE1 4.41Å; N151-Y256 HydrophobicContact CB-CD1 4.32Å; N151-Y256 WeakPolarHBondContact OD1-CD1 3.42Å; Q154-Y256 HydrophobicContact CB-CD1 3.61Å; Q154-Y256 HydrophobicContact CB-CD2 3.88Å; Q154-Y256 HydrophobicContact CB-CE1 3.35Å; Q154-Y256 HydrophobicContact CB-CE2 3.63Å; Q154-Y256 HydrophobicContact CB-CG 3.86Å; Q154-Y256 HydrophobicContact CG-CD1 4.35Å; Q154-Y256 HydrophobicContact CG-CE1 3.67Å; Q154-Y256 HydrophobicContact CG-CE2 4.38Å; F158-Y256 HydrophobicContact CD2-CD2 4.04Å; F158-Y256 AromaticContact CD2-CE2 3.39Å; F158-Y256 HydrophobicContact CD2-CE2 3.39Å; F158-Y256 AromaticContact CE2-CE2 3.59Å; F158-Y256 HydrophobicContact CE2-CE2 3.59Å; F158-Y256 HydrophobicContact CG-CE2 4.47Å; E198-Y256 VanDerWaalsContact OE1-CE1 3.26Å; E198-Y256 WeakPolarHBondContact OE1-CE1 3.3Å; E198-Y256 PolarHBondContact OE1-OH 3.33Å; E252-Y256 HydrophobicContact CB-CD2 4.08Å; E252-Y256 HydrophobicContact CB-CE2 3.84Å; E252-Y256 HydrophobicContact CG-CE2 4.18Å; E252-Y256 WeakPolarHBondContact O-CD2 3.34Å; E252-Y256 PolarHBondContact O-N 3.39Å; E252-Y256 VanDerWaalsContact O-N 3.12Å; E252-Y256 WeakPolarHBondContact OE2-CE2 3.37Å; Y256-F258 PolarHBondContact O-N 3.47Å; Y256-Y259 HydrophobicContact CD1-CD2 4.29Å; Y256-Y259 PolarHBondContact O-N 2.93Å; Y256-I260 WeakPolarHBondContact O-CG1 3.34Å; Y256-I260 PolarHBondContact O-N 2.89Å
257	P	88.4	Confident	85.9	Confident	26 Å²	26	43.4 Å²	43.4	17%	0.169	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-34.8	172.8	-29.5	40.3	0	0	0	112.9	F155 I253 I260 L261 L271	F155-P257 HydrophobicContact CD2-CG 3.41Å; F155-P257 VanDerWaalsContact CD2-CG 3.41Å; F155-P257 HydrophobicContact CE2-CG 3.29Å; F155-P257 HydrophobicContact CG-CG 4.16Å; F155-P257 HydrophobicContact CZ-CG 3.96Å; I253-P257 WeakPolarHBondContact O-CD 3.42Å; I253-P257 WeakPolarHBondContact O-CG 3.34Å; P257-I260 PolarHBondContact O-N 3.48Å; P257-L261 WeakPolarHBondContact O-CG 3.3Å; P257-L261 PolarHBondContact O-N 2.91Å; P257-L271 HydrophobicContact CB-CD1 4.41Å; P257-L271 HydrophobicContact CB-CD2 3.9Å
258	F	86.5	Confident	85.4	Confident	44 Å²	44	49.8 Å²	49.8	19%	0.193	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-39.8	175.3	174.3	-93.5	0	0	0	111.8	R255 Y256 G262 L271 T272 R275 Y276	R255-F258 WeakPolarHBondContact O-CB 3.3Å; R255-F258 PolarHBondContact O-N 3.46Å; Y256-F258 PolarHBondContact O-N 3.47Å; F258-G262 PolarHBondContact O-N 2.89Å; F258-L271 HydrophobicContact CB-CD2 4.19Å; F258-L271 HydrophobicContact CB-CG 4.31Å; F258-T272 HydrophobicContact CE2-CG2 4.17Å; F258-R275 HydrophobicContact CB-CB 4.41Å; F258-R275 HydrophobicContact CB-CG 4.38Å; F258-R275 HydrophobicContact CD1-CG 3.96Å; F258-R275 HydrophobicContact CD2-CB 4.22Å; F258-R275 HydrophobicContact CD2-CG 4.34Å; F258-R275 HydrophobicContact CE1-CG 4.35Å; F258-R275 HydrophobicContact CG-CB 4.17Å; F258-R275 HydrophobicContact CG-CG 3.95Å; F258-Y276 HydrophobicContact CZ-CE2 4.47Å
259	Y	85.1	Confident	85	Confident	60 Å²	60	58 Å²	58	24%	0.235	29%	0.289	C	S	.	.	H	α-helix	trans	-70.6	-35.8	176	-63.9	-32.5	0	0	0	113	N151 R255 Y256 G262 C263 R275	N151-Y259 WeakPolarHBondContact OD1-CB 3.5Å; N151-Y259 WeakPolarHBondContact OD1-CD2 3.38Å; R255-Y259 HydrophobicContact CG-CD2 4.02Å; R255-Y259 HydrophobicContact CG-CE2 3.39Å; R255-Y259 PolarHBondContact O-N 3.41Å; Y256-Y259 HydrophobicContact CD1-CD2 4.29Å; Y256-Y259 PolarHBondContact O-N 2.93Å; Y259-G262 PolarHBondContact O-N 2.97Å; Y259-C263 PolarHBondContact O-N 2.84Å; Y259-C263 PolarHBondContact O-SG 2.85Å; Y259-C263 VanDerWaalsContact O-SG 3.33Å; Y259-R275 PolarHBondContact OH-NH2 3.42Å
260	I	87.1	Confident	84.6	Confident	30 Å²	30	61.7 Å²	61.7	15%	0.154	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-49.8	173.3	-64.9	168.3	0	0	0	110.2	N151 L152 F155 Y256 P257 G262 C263 F264	N151-I260 HydrophobicContact CB-CD1 4.4Å; N151-I260 HydrophobicContact CB-CG1 3.65Å; L152-I260 HydrophobicContact CD1-CD1 4.41Å; F155-I260 HydrophobicContact CB-CD1 4.39Å; Y256-I260 WeakPolarHBondContact O-CG1 3.34Å; Y256-I260 PolarHBondContact O-N 2.89Å; P257-I260 PolarHBondContact O-N 3.48Å; I260-G262 PolarHBondContact O-N 3.5Å; I260-C263 WeakPolarHBondContact O-CB 3.48Å; I260-C263 PolarHBondContact O-N 3.47Å; I260-F264 HydrophobicContact CG2-CD2 4.36Å; I260-F264 HydrophobicContact CG2-CE2 4.05Å; I260-F264 WeakPolarHBondContact O-CD2 3.43Å
261	L	84.6	Confident	84.3	Confident	45 Å²	45	62 Å²	62	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-33.2	176.7	-72.3	-172.8	0	0	0	112.8	P257 C263 F264 N265 T266 W268 L271	P257-L261 WeakPolarHBondContact O-CG 3.3Å; P257-L261 PolarHBondContact O-N 2.91Å; L261-C263 VanDerWaalsContact C-N 3.26Å; L261-C263 PolarHBondContact O-N 3.4Å; L261-F264 PolarHBondContact O-N 3.26Å; L261-F264 VanDerWaalsContact O-N 3.16Å; L261-N265 PolarHBondContact O-N 2.95Å; L261-T266 PolarHBondContact O-N 3.25Å; L261-W268 HydrophobicContact CD1-CB 3.68Å; L261-W268 HydrophobicContact CD1-CE3 4.23Å; L261-L271 HydrophobicContact CD1-CD2 3.57Å; L261-L271 HydrophobicContact CG-CD2 4.34Å
262	G	80.5	Confident	84	Confident	46 Å²	46	61.4 Å²	61.4	47%	0.474	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-32.6	173	0	0	0	0	0	113.6	F258 Y259 I260 F264 N265	F258-G262 PolarHBondContact O-N 2.89Å; Y259-G262 PolarHBondContact O-N 2.97Å; I260-G262 PolarHBondContact O-N 3.5Å; G262-F264 VanDerWaalsContact C-N 3.32Å; G262-N265 PolarHBondContact O-N 3.34Å
263	C	81.6	Confident	83.8	Confident	32 Å²	32	67.9 Å²	67.9	22%	0.216	33%	0.333	C	S	.	.	H	α-helix	trans	-68.9	-31.7	176	-61.2	0	0	0	0	112.1	T144 Y259 I260 L261 N265	T144-C263 HydrophobicContact CG2-CB 4.03Å; Y259-C263 PolarHBondContact O-N 2.84Å; Y259-C263 PolarHBondContact O-SG 2.85Å; Y259-C263 VanDerWaalsContact O-SG 3.33Å; I260-C263 WeakPolarHBondContact O-CB 3.48Å; I260-C263 PolarHBondContact O-N 3.47Å; L261-C263 VanDerWaalsContact C-N 3.26Å; L261-C263 PolarHBondContact O-N 3.4Å; C263-N265 VanDerWaalsContact C-N 3.35Å
264	F	79.8	Confident	83.6	Confident	127 Å²	127	68.8 Å²	68.8	56%	0.557	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	4.2	177.3	-66.5	-73.6	0	0	0	113.9	L148 I260 L261 G262 T266	L148-F264 HydrophobicContact CD1-CD2 4.45Å; L148-F264 HydrophobicContact CD1-CE1 4.2Å; L148-F264 HydrophobicContact CD1-CE2 3.45Å; L148-F264 VanDerWaalsContact CD1-CE2 3.45Å; L148-F264 HydrophobicContact CD1-CZ 3.31Å; I260-F264 HydrophobicContact CG2-CD2 4.36Å; I260-F264 HydrophobicContact CG2-CE2 4.05Å; I260-F264 WeakPolarHBondContact O-CD2 3.43Å; L261-F264 PolarHBondContact O-N 3.26Å; L261-F264 VanDerWaalsContact O-N 3.16Å; G262-F264 VanDerWaalsContact C-N 3.32Å; F264-T266 PolarHBondContact O-N 3.46Å; F264-T266 PolarHBondContact O-OG1 3.06Å
265	N	76.6	Confident	83.5	Confident	150 Å²	150	67.5 Å²	67.5	80%	0.802	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	21.7	-172.2	-87.4	-23.7	0	0	0	114.5	L261 G262 C263	L261-N265 PolarHBondContact O-N 2.95Å; G262-N265 PolarHBondContact O-N 3.34Å; C263-N265 VanDerWaalsContact C-N 3.35Å
266	T	76.7	Confident	83.3	Confident	84 Å²	84	68.7 Å²	68.7	52%	0.515	34%	0.336	S	S	.	.			trans	-95.1	120.1	179.9	-63.7	0	0	0	0	109.8	L261 F264	L261-T266 PolarHBondContact O-N 3.25Å; F264-T266 PolarHBondContact O-N 3.46Å; F264-T266 PolarHBondContact O-OG1 3.06Å
267	E	76.9	Confident	83.2	Confident	109 Å²	109	69.2 Å²	69.2	51%	0.509	34%	0.34	S	S	.	.			trans	-96.2	105	178.1	-69.5	-162	-174.6	0	0	112.1	R350 K354	E267-R350 VanDerWaalsContact CD-NH2 3.32Å; E267-R350 IonicContact OE1-CZ 3.11Å; E267-R350 IonicContact OE1-NH2 3.42Å; E267-R350 PolarHBondContact OE1-NH2 3.49Å; E267-R350 IonicContact OE2-NH2 3.72Å; E267-K354 IonicContact OE2-NZ 2.78Å; E267-K354 PolarHBondContact OE2-NZ 3.14Å
268	W	81.3	Confident	83.1	Confident	156 Å²	156	69 Å²	69	59%	0.591	34%	0.338	S	S	*	.			trans	-87.6	119.7	168.6	-166.1	13.5	0	0	0	111.5	L261 T270 L271 T272	L261-W268 HydrophobicContact CD1-CB 3.68Å; L261-W268 HydrophobicContact CD1-CE3 4.23Å; W268-T270 PolarHBondContact NE1-OG1 3.48Å; W268-T270 PolarHBondContact O-N 2.76Å; W268-L271 HydrophobicContact CB-CB 4.19Å; W268-L271 HydrophobicContact CD2-CB 4.26Å; W268-L271 HydrophobicContact CE3-CB 4.02Å; W268-L271 HydrophobicContact CE3-CD2 4.36Å; W268-L271 HydrophobicContact CG-CB 4.35Å; W268-T272 WeakPolarHBondContact O-CB 3.39Å; W268-T272 PolarHBondContact O-N 3.26Å; W268-T272 PolarHBondContact O-OG1 2.85Å
269	K	82	Confident	83	Confident	174 Å²	174	67.3 Å²	67.3	76%	0.757	33%	0.33	S	S	*	.	H	α-helix	trans	-60.8	-44.9	-173.8	-68.4	179.3	-177.9	173.2	0	113.4	W273	K269-W273 PolarHBondContact O-N 2.98Å
270	T	84.7	Confident	83	Confident	77 Å²	77	67.3 Å²	67.3	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-67.4	-48.1	-178.5	50	0	0	0	0	111.1	W268 T272 W273 L274	W268-T270 PolarHBondContact NE1-OG1 3.48Å; W268-T270 PolarHBondContact O-N 2.76Å; T270-T272 VanDerWaalsContact C-N 3.33Å; T270-T272 PolarHBondContact O-N 3.1Å; T270-W273 WeakPolarHBondContact O-CB 3.34Å; T270-W273 PolarHBondContact O-N 3.47Å; T270-W273 VanDerWaalsContact O-N 3.11Å; T270-L274 WeakPolarHBondContact O-CG 3.28Å; T270-L274 PolarHBondContact O-N 2.87Å
271	L	83.6	Confident	83.1	Confident	16 Å²	16	69.4 Å²	69.4	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-38.5	179	-167.7	69.1	0	0	0	112.2	P257 F258 L261 W268 W273 L274 R275	P257-L271 HydrophobicContact CB-CD1 4.41Å; P257-L271 HydrophobicContact CB-CD2 3.9Å; F258-L271 HydrophobicContact CB-CD2 4.19Å; F258-L271 HydrophobicContact CB-CG 4.31Å; L261-L271 HydrophobicContact CD1-CD2 3.57Å; L261-L271 HydrophobicContact CG-CD2 4.34Å; W268-L271 HydrophobicContact CB-CB 4.19Å; W268-L271 HydrophobicContact CD2-CB 4.26Å; W268-L271 HydrophobicContact CE3-CB 4.02Å; W268-L271 HydrophobicContact CE3-CD2 4.36Å; W268-L271 HydrophobicContact CG-CB 4.35Å; L271-W273 VanDerWaalsContact C-N 3.33Å; L271-W273 PolarHBondContact O-N 3.32Å; L271-L274 PolarHBondContact O-N 3.3Å; L271-R275 WeakPolarHBondContact O-CB 3.46Å; L271-R275 PolarHBondContact O-N 3.33Å
272	T	83.5	Confident	83.2	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-44	172.7	-57.3	0	0	0	0	110.9	F258 W268 T270 Y276	F258-T272 HydrophobicContact CE2-CG2 4.17Å; W268-T272 WeakPolarHBondContact O-CB 3.39Å; W268-T272 PolarHBondContact O-N 3.26Å; W268-T272 PolarHBondContact O-OG1 2.85Å; T270-T272 VanDerWaalsContact C-N 3.33Å; T270-T272 PolarHBondContact O-N 3.1Å; T272-Y276 HydrophobicContact CG2-CD2 3.93Å; T272-Y276 HydrophobicContact CG2-CE2 3.93Å; T272-Y276 WeakPolarHBondContact O-CD2 3.49Å; T272-Y276 PolarHBondContact O-N 3.37Å
273	W	86.1	Confident	83.5	Confident	137 Å²	137	68.1 Å²	68.1	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-65.2	-44.4	178.2	179.9	90.8	0	0	0	112.1	K269 T270 L271 Y276 S277	K269-W273 PolarHBondContact O-N 2.98Å; T270-W273 WeakPolarHBondContact O-CB 3.34Å; T270-W273 PolarHBondContact O-N 3.47Å; T270-W273 VanDerWaalsContact O-N 3.11Å; L271-W273 VanDerWaalsContact C-N 3.33Å; L271-W273 PolarHBondContact O-N 3.32Å; W273-Y276 PolarHBondContact O-N 2.91Å; W273-S277 VanDerWaalsContact O-CB 3.24Å; W273-S277 WeakPolarHBondContact O-CB 3.21Å; W273-S277 PolarHBondContact O-N 2.96Å; W273-S277 PolarHBondContact O-OG 3.47Å
274	L	85.8	Confident	83.8	Confident	48 Å²	48	69 Å²	69	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-57.7	-51	175.8	-75.5	168.3	0	0	0	110.2	F254 T270 L271 Y276 S277 V278	F254-L274 HydrophobicContact CD1-CB 4.29Å; F254-L274 HydrophobicContact CD1-CD1 3.94Å; F254-L274 HydrophobicContact CE1-CD1 3.95Å; T270-L274 WeakPolarHBondContact O-CG 3.28Å; T270-L274 PolarHBondContact O-N 2.87Å; L271-L274 PolarHBondContact O-N 3.3Å; L274-Y276 PolarHBondContact O-N 3.45Å; L274-Y276 VanDerWaalsContact O-N 3.13Å; L274-S277 PolarHBondContact O-N 3.41Å; L274-V278 HydrophobicContact CB-CG2 3.94Å; L274-V278 HydrophobicContact CD2-CG2 3.68Å; L274-V278 HydrophobicContact CG-CG2 4.44Å; L274-V278 WeakPolarHBondContact O-CB 3.14Å; L274-V278 WeakPolarHBondContact O-CG2 3.46Å; L274-V278 PolarHBondContact O-N 2.94Å
275	R	86.1	Confident	84.2	Confident	39 Å²	39	67.1 Å²	67.1	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-52.4	-41	178.4	177.8	61.9	-178.7	115.1	-6.4	113.4	F258 Y259 L271	F258-R275 HydrophobicContact CB-CB 4.41Å; F258-R275 HydrophobicContact CB-CG 4.38Å; F258-R275 HydrophobicContact CD1-CG 3.96Å; F258-R275 HydrophobicContact CD2-CB 4.22Å; F258-R275 HydrophobicContact CD2-CG 4.34Å; F258-R275 HydrophobicContact CE1-CG 4.35Å; F258-R275 HydrophobicContact CG-CB 4.17Å; F258-R275 HydrophobicContact CG-CG 3.95Å; Y259-R275 PolarHBondContact OH-NH2 3.42Å; L271-R275 WeakPolarHBondContact O-CB 3.46Å; L271-R275 PolarHBondContact O-N 3.33Å
276	Y	83.9	Confident	84.8	Confident	37 Å²	37	60.1 Å²	60.1	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-91.2	0.2	-178.3	-72.2	-67.6	0	0	0	114.8	F258 T272 W273 L274 W279 Q346 R347 R350	F258-Y276 HydrophobicContact CZ-CE2 4.47Å; T272-Y276 HydrophobicContact CG2-CD2 3.93Å; T272-Y276 HydrophobicContact CG2-CE2 3.93Å; T272-Y276 WeakPolarHBondContact O-CD2 3.49Å; T272-Y276 PolarHBondContact O-N 3.37Å; W273-Y276 PolarHBondContact O-N 2.91Å; L274-Y276 PolarHBondContact O-N 3.45Å; L274-Y276 VanDerWaalsContact O-N 3.13Å; Y276-W279 VanDerWaalsContact C-CD1 3.45Å; Y276-W279 VanDerWaalsContact C-NE1 3.28Å; Y276-W279 PolarHBondContact O-NE1 2.9Å; Y276-Q346 HydrophobicContact CE1-CB 4.36Å; Y276-R347 WeakPolarHBondContact O-CD 3.33Å; Y276-R350 HydrophobicContact CE2-CB 4.42Å; Y276-R350 HydrophobicContact CE2-CG 3.95Å
277	S	85.9	Confident	85.3	Confident	12 Å²	12	56.7 Å²	56.7	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-125	-34.7	-177.1	-50.1	0	0	0	0	113.1	W273 L274 W279 I280 P281	W273-S277 VanDerWaalsContact O-CB 3.24Å; W273-S277 WeakPolarHBondContact O-CB 3.21Å; W273-S277 PolarHBondContact O-N 2.96Å; W273-S277 PolarHBondContact O-OG 3.47Å; L274-S277 PolarHBondContact O-N 3.41Å; S277-W279 VanDerWaalsContact C-N 3.25Å; S277-W279 PolarHBondContact O-N 2.91Å; S277-I280 VanDerWaalsContact O-CB 3.29Å; S277-I280 WeakPolarHBondContact O-CB 3.22Å; S277-I280 WeakPolarHBondContact O-CG1 3.45Å; S277-I280 PolarHBondContact O-N 3.14Å; S277-P281 WeakPolarHBondContact O-CD 3.35Å
278	V	87.4	Confident	86	Confident	20 Å²	20	56.7 Å²	56.7	12%	0.121	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-33	-179.5	169.1	0	0	0	0	112	F254 L274 I280 P281 L282	F254-V278 HydrophobicContact CD2-CG1 3.81Å; F254-V278 HydrophobicContact CD2-CG2 4.23Å; F254-V278 HydrophobicContact CE2-CG1 4.24Å; F254-V278 HydrophobicContact CE2-CG2 4.49Å; F254-V278 HydrophobicContact CG-CG2 4.48Å; L274-V278 HydrophobicContact CB-CG2 3.94Å; L274-V278 HydrophobicContact CD2-CG2 3.68Å; L274-V278 HydrophobicContact CG-CG2 4.44Å; L274-V278 WeakPolarHBondContact O-CB 3.14Å; L274-V278 WeakPolarHBondContact O-CG2 3.46Å; L274-V278 PolarHBondContact O-N 2.94Å; V278-I280 PolarHBondContact O-N 3.31Å; V278-P281 VanDerWaalsContact O-CD 3.25Å; V278-P281 WeakPolarHBondContact O-CD 3.49Å; V278-L282 HydrophobicContact CB-CD1 4.44Å; V278-L282 HydrophobicContact CG1-CD1 3.29Å; V278-L282 WeakPolarHBondContact O-CB 3.46Å; V278-L282 WeakPolarHBondContact O-CD1 3.41Å; V278-L282 PolarHBondContact O-N 3.02Å
279	W	83.4	Confident	86.3	Confident	10 Å²	10	49.8 Å²	49.8	4%	0.038	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-20.3	176.8	70.3	-89.8	0	0	0	113.4	Y276 S277 Y283 F340 L343	Y276-W279 VanDerWaalsContact C-CD1 3.45Å; Y276-W279 VanDerWaalsContact C-NE1 3.28Å; Y276-W279 PolarHBondContact O-NE1 2.9Å; S277-W279 VanDerWaalsContact C-N 3.25Å; S277-W279 PolarHBondContact O-N 2.91Å; W279-Y283 WeakPolarHBondContact O-CB 3.4Å; W279-Y283 PolarHBondContact O-N 2.9Å; W279-F340 HydrophobicContact CE3-CD2 4.49Å; W279-F340 HydrophobicContact CH2-CD2 4.4Å; W279-F340 HydrophobicContact CH2-CE1 4.43Å; W279-F340 HydrophobicContact CH2-CE2 4.27Å; W279-F340 HydrophobicContact CH2-CZ 4.28Å; W279-F340 HydrophobicContact CZ3-CD1 4.47Å; W279-F340 AromaticContact CZ3-CD2 3.6Å; W279-F340 HydrophobicContact CZ3-CD2 3.6Å; W279-F340 HydrophobicContact CZ3-CE1 4.49Å; W279-F340 AromaticContact CZ3-CE2 3.61Å; W279-F340 HydrophobicContact CZ3-CE2 3.61Å; W279-F340 HydrophobicContact CZ3-CG 4.03Å; W279-F340 HydrophobicContact CZ3-CZ 4.08Å; W279-L343 HydrophobicContact CD2-CB 3.94Å; W279-L343 HydrophobicContact CD2-CD1 3.89Å; W279-L343 HydrophobicContact CD2-CG 4.44Å; W279-L343 HydrophobicContact CE3-CB 3.91Å; W279-L343 HydrophobicContact CE3-CD1 3.6Å; W279-L343 HydrophobicContact CE3-CG 4.39Å; W279-L343 HydrophobicContact CG-CD1 4.34Å; W279-L343 HydrophobicContact CH2-CB 3.61Å; W279-L343 HydrophobicContact CZ2-CB 3.64Å; W279-L343 HydrophobicContact CZ3-CB 3.74Å; W279-L343 HydrophobicContact CZ3-CD1 4.06Å
280	I	85.9	Confident	86.6	Confident	60 Å²	60	42.2 Å²	42.2	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-51.2	-176	-60.8	167.9	0	0	0	111.4	S277 V278 P284 R347	S277-I280 VanDerWaalsContact O-CB 3.29Å; S277-I280 WeakPolarHBondContact O-CB 3.22Å; S277-I280 WeakPolarHBondContact O-CG1 3.45Å; S277-I280 PolarHBondContact O-N 3.14Å; V278-I280 PolarHBondContact O-N 3.31Å; I280-P284 WeakPolarHBondContact O-CD 3.35Å; I280-P284 WeakPolarHBondContact O-CG 3.31Å; I280-R347 VanDerWaalsContact CD1-NH1 3.26Å
281	P	88.9	Confident	86.8	Confident	74 Å²	74	39.6 Å²	39.6	48%	0.481	20%	0.204	S	C	.	.	H	α-helix	trans	-80.3	-42.2	173.3	28.8	-35.4	0	0	0	113.1	S277 V278 P284 L285	S277-P281 WeakPolarHBondContact O-CD 3.35Å; V278-P281 VanDerWaalsContact O-CD 3.25Å; V278-P281 WeakPolarHBondContact O-CD 3.49Å; P281-P284 WeakPolarHBondContact O-CD 3.35Å; P281-L285 WeakPolarHBondContact O-CD1 3.33Å; P281-L285 VanDerWaalsContact O-CG 3.28Å; P281-L285 WeakPolarHBondContact O-CG 3.46Å; P281-L285 PolarHBondContact O-N 3.13Å
282	L	86.9	Confident	87	Confident	31 Å²	31	41.6 Å²	41.6	16%	0.162	22%	0.217	C	C	.	.	H	α-helix	trans	-75.6	-30.4	-168.6	-81.9	128	0	0	0	113.8	L247 A250 I251 V278 G286	L247-L282 HydrophobicContact CD2-CD2 3.78Å; A250-L282 HydrophobicContact CB-CD2 3.69Å; I251-L282 HydrophobicContact CD1-CB 3.83Å; I251-L282 HydrophobicContact CG1-CB 3.54Å; I251-L282 HydrophobicContact CG1-CD2 4.09Å; I251-L282 HydrophobicContact CG1-CG 4.31Å; V278-L282 HydrophobicContact CB-CD1 4.44Å; V278-L282 HydrophobicContact CG1-CD1 3.29Å; V278-L282 WeakPolarHBondContact O-CB 3.46Å; V278-L282 WeakPolarHBondContact O-CD1 3.41Å; V278-L282 PolarHBondContact O-N 3.02Å; L282-G286 PolarHBondContact O-N 3.03Å
283	Y	85.8	Confident	87.2	Confident	33 Å²	33	41.3 Å²	41.3	13%	0.129	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-47.9	-178.6	-173.2	-114.5	0	0	0	112.7	W279 L285 G286 V287 L336 N339	W279-Y283 WeakPolarHBondContact O-CB 3.4Å; W279-Y283 PolarHBondContact O-N 2.9Å; Y283-L285 VanDerWaalsContact C-N 3.31Å; Y283-L285 PolarHBondContact O-N 2.74Å; Y283-G286 PolarHBondContact O-N 3.2Å; Y283-V287 HydrophobicContact CE1-CG2 4.49Å; Y283-V287 HydrophobicContact CE2-CG2 4.24Å; Y283-V287 WeakPolarHBondContact O-CG2 3.34Å; Y283-V287 PolarHBondContact O-N 3.46Å; Y283-L336 HydrophobicContact CD1-CD1 3.72Å; Y283-L336 HydrophobicContact CE1-CD1 3.54Å; Y283-N339 HydrophobicContact CE1-CB 3.88Å; Y283-N339 WeakPolarHBondContact OH-CB 3.33Å
284	P	87.9	Confident	87.2	Confident	50 Å²	50	34.8 Å²	34.8	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-60	-39.4	172.8	-23.7	34.4	0	0	0	113	I280 P281 V287 L288 F340	I280-P284 WeakPolarHBondContact O-CD 3.35Å; I280-P284 WeakPolarHBondContact O-CG 3.31Å; P281-P284 WeakPolarHBondContact O-CD 3.35Å; P284-V287 PolarHBondContact O-N 2.75Å; P284-L288 VanDerWaalsContact O-CB 3.31Å; P284-L288 WeakPolarHBondContact O-CB 3.06Å; P284-L288 PolarHBondContact O-N 3.18Å; P284-F340 HydrophobicContact CG-CE2 4.46Å
285	L	89.1	Confident	87.3	Confident	88 Å²	88	36.4 Å²	36.4	46%	0.461	20%	0.202	S	C	.	.	H	α-helix	trans	-64.5	-41.7	176.2	-71.8	172.8	0	0	0	111.8	L247 P281 Y283 L288 A289	L247-L285 HydrophobicContact CD1-CB 3.97Å; L247-L285 HydrophobicContact CD2-CB 4.13Å; P281-L285 WeakPolarHBondContact O-CD1 3.33Å; P281-L285 VanDerWaalsContact O-CG 3.28Å; P281-L285 WeakPolarHBondContact O-CG 3.46Å; P281-L285 PolarHBondContact O-N 3.13Å; Y283-L285 VanDerWaalsContact C-N 3.31Å; Y283-L285 PolarHBondContact O-N 2.74Å; L285-L288 PolarHBondContact O-N 2.99Å; L285-A289 WeakPolarHBondContact O-CB 3.42Å; L285-A289 PolarHBondContact O-N 2.95Å
286	G	88.9	Confident	87.3	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-48	176.8	0	0	0	0	0	111.8	L282 Y283 L288 A289 E290	L282-G286 PolarHBondContact O-N 3.03Å; Y283-G286 PolarHBondContact O-N 3.2Å; G286-L288 VanDerWaalsContact C-N 3.3Å; G286-L288 PolarHBondContact O-N 3.13Å; G286-A289 PolarHBondContact O-N 3.35Å; G286-E290 WeakPolarHBondContact O-CG 3.41Å; G286-E290 PolarHBondContact O-N 3.01Å
287	V	87.8	Confident	87.2	Confident	13 Å²	13	35.4 Å²	35.4	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-35.6	176.8	173.8	0	0	0	0	111.7	Y283 P284 E290 A291 M332 L336	Y283-V287 HydrophobicContact CE1-CG2 4.49Å; Y283-V287 HydrophobicContact CE2-CG2 4.24Å; Y283-V287 WeakPolarHBondContact O-CG2 3.34Å; Y283-V287 PolarHBondContact O-N 3.46Å; P284-V287 PolarHBondContact O-N 2.75Å; V287-E290 PolarHBondContact O-N 3.18Å; V287-A291 WeakPolarHBondContact O-CB 3.45Å; V287-A291 PolarHBondContact O-N 3.44Å; V287-M332 HydrophobicContact CG1-CE 4Å; V287-M332 HydrophobicContact CG1-CG 3.97Å; V287-M332 HydrophobicContact CG1-SD 4.15Å; V287-L336 HydrophobicContact CB-CD1 4.15Å; V287-L336 HydrophobicContact CG1-CB 4.48Å; V287-L336 HydrophobicContact CG1-CD1 4.31Å; V287-L336 HydrophobicContact CG1-CD2 4.44Å; V287-L336 HydrophobicContact CG2-CD1 3.85Å
288	L	90.2	Very high	86.9	Confident	108 Å²	108	35.7 Å²	35.7	57%	0.565	20%	0.201	S	C	*	.	H	α-helix	trans	-65.4	-44.6	174.1	-177.5	65.5	0	0	0	111.5	P284 L285 G286 E290 A291 V292	P284-L288 VanDerWaalsContact O-CB 3.31Å; P284-L288 WeakPolarHBondContact O-CB 3.06Å; P284-L288 PolarHBondContact O-N 3.18Å; L285-L288 PolarHBondContact O-N 2.99Å; G286-L288 VanDerWaalsContact C-N 3.3Å; G286-L288 PolarHBondContact O-N 3.13Å; L288-E290 VanDerWaalsContact C-N 3.34Å; L288-E290 PolarHBondContact O-N 3.22Å; L288-A291 WeakPolarHBondContact O-CB 3.47Å; L288-A291 PolarHBondContact O-N 3.47Å; L288-V292 WeakPolarHBondContact O-CG2 3.26Å; L288-V292 PolarHBondContact O-N 3.13Å
289	A	89	Confident	86.5	Confident	11 Å²	11	37.8 Å²	37.8	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-41.6	176.4	0	0	0	0	0	111.6	V240 F243 V244 L247 L285 G286 V292 A293	V240-A289 WeakPolarHBondContact CG1-O 3.33Å; F243-A289 HydrophobicContact CB-CB 4.24Å; V244-A289 HydrophobicContact CG2-CB 3.79Å; L247-A289 HydrophobicContact CD1-CB 4.02Å; L285-A289 WeakPolarHBondContact O-CB 3.42Å; L285-A289 PolarHBondContact O-N 2.95Å; G286-A289 PolarHBondContact O-N 3.35Å; A289-V292 PolarHBondContact O-N 3.17Å; A289-A293 PolarHBondContact O-N 3.41Å
290	E	88.8	Confident	86	Confident	16 Å²	16	38 Å²	38	8%	0.075	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-42.4	172.4	-70.9	170.5	-151.9	0	0	111.8	V224 V244 W248 G286 V287 L288 V292 A293 V294 M332	V224-E290 HydrophobicContact CG2-CB 4.22Å; V224-E290 HydrophobicContact CG2-CG 4.16Å; V244-E290 HydrophobicContact CG1-CG 4.42Å; W248-E290 HydrophobicContact CZ2-CG 3.99Å; W248-E290 WeakPolarHBondContact CZ2-OE1 3.33Å; W248-E290 PolarHBondContact NE1-OE1 3.38Å; G286-E290 WeakPolarHBondContact O-CG 3.41Å; G286-E290 PolarHBondContact O-N 3.01Å; V287-E290 PolarHBondContact O-N 3.18Å; L288-E290 VanDerWaalsContact C-N 3.34Å; L288-E290 PolarHBondContact O-N 3.22Å; E290-V292 PolarHBondContact O-N 2.89Å; E290-A293 WeakPolarHBondContact O-CB 3.44Å; E290-A293 PolarHBondContact O-N 2.87Å; E290-V294 VanDerWaalsContact O-CG2 3.28Å; E290-V294 WeakPolarHBondContact O-CG2 3.46Å; E290-V294 PolarHBondContact O-N 3.48Å; E290-M332 HydrophobicContact CB-SD 4.05Å
291	A	88.5	Confident	85.3	Confident	21 Å²	21	35.3 Å²	35.3	17%	0.174	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-45.1	176.2	0	0	0	0	0	112	V287 L288 A293 V294 V295 L329 M332	V287-A291 WeakPolarHBondContact O-CB 3.45Å; V287-A291 PolarHBondContact O-N 3.44Å; L288-A291 WeakPolarHBondContact O-CB 3.47Å; L288-A291 PolarHBondContact O-N 3.47Å; A291-A293 VanDerWaalsContact C-N 3.29Å; A291-A293 PolarHBondContact O-N 3.29Å; A291-V294 PolarHBondContact O-N 2.85Å; A291-V295 WeakPolarHBondContact O-CB 3.47Å; A291-V295 VanDerWaalsContact O-CG2 3.31Å; A291-V295 WeakPolarHBondContact O-CG2 3.47Å; A291-V295 PolarHBondContact O-N 3.48Å; A291-L329 HydrophobicContact CB-CD2 4.26Å; A291-M332 HydrophobicContact CB-CE 3.4Å; A291-M332 VanDerWaalsContact CB-CE 3.4Å
292	V	88.3	Confident	84.3	Confident	58 Å²	58	35 Å²	35	35%	0.352	20%	0.197	S	C	.	.	H	α-helix	trans	-63.9	-38.7	176.9	174.5	0	0	0	0	110.3	V240 L288 A289 E290 V295 Q296	V240-V292 HydrophobicContact CG1-CB 4.48Å; V240-V292 HydrophobicContact CG1-CG1 4.3Å; V240-V292 HydrophobicContact CG2-CG1 3.83Å; L288-V292 WeakPolarHBondContact O-CG2 3.26Å; L288-V292 PolarHBondContact O-N 3.13Å; A289-V292 PolarHBondContact O-N 3.17Å; E290-V292 PolarHBondContact O-N 2.89Å; V292-V295 PolarHBondContact O-N 3.02Å; V292-Q296 HydrophobicContact CG1-CG 4.37Å; V292-Q296 VanDerWaalsContact CG1-NE2 3.3Å; V292-Q296 WeakPolarHBondContact O-CB 3.48Å; V292-Q296 WeakPolarHBondContact O-CG 3.44Å; V292-Q296 PolarHBondContact O-N 2.94Å
293	A	87.1	Confident	83.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-46	175	0	0	0	0	0	111.4	F229 M235 V240 A289 E290 A291 Q296 S297	F229-A293 HydrophobicContact CE1-CB 4.07Å; F229-A293 HydrophobicContact CZ-CB 3.98Å; M235-A293 HydrophobicContact CE-CB 4.41Å; V240-A293 HydrophobicContact CG1-CB 3.65Å; A289-A293 PolarHBondContact O-N 3.41Å; E290-A293 WeakPolarHBondContact O-CB 3.44Å; E290-A293 PolarHBondContact O-N 2.87Å; A291-A293 VanDerWaalsContact C-N 3.29Å; A291-A293 PolarHBondContact O-N 3.29Å; A293-Q296 PolarHBondContact O-N 2.72Å; A293-S297 WeakPolarHBondContact O-CB 3.45Å; A293-S297 PolarHBondContact O-N 2.8Å
294	V	86.6	Confident	82	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-49.5	176.9	176.9	0	0	0	0	110.7	I228 E290 A291 Q296 S297 I298 L325 Y328 L329	I228-V294 HydrophobicContact CD1-CB 4.18Å; I228-V294 HydrophobicContact CD1-CG2 3.39Å; E290-V294 VanDerWaalsContact O-CG2 3.28Å; E290-V294 WeakPolarHBondContact O-CG2 3.46Å; E290-V294 PolarHBondContact O-N 3.48Å; A291-V294 PolarHBondContact O-N 2.85Å; V294-Q296 VanDerWaalsContact C-N 3.32Å; V294-Q296 PolarHBondContact O-N 3.3Å; V294-S297 WeakPolarHBondContact CA-OG 3.42Å; V294-S297 WeakPolarHBondContact O-CB 3.44Å; V294-S297 PolarHBondContact O-N 2.83Å; V294-S297 PolarHBondContact O-OG 3.03Å; V294-I298 WeakPolarHBondContact O-CG1 3.24Å; V294-I298 PolarHBondContact O-N 3.02Å; V294-I298 VanDerWaalsContact O-N 3.14Å; V294-L325 HydrophobicContact CG1-CB 4.25Å; V294-L325 HydrophobicContact CG1-CD2 4.25Å; V294-Y328 HydrophobicContact CG1-CD1 4.4Å; V294-Y328 HydrophobicContact CG2-CD1 3.93Å; V294-Y328 HydrophobicContact CG2-CE1 3.79Å; V294-L329 HydrophobicContact CB-CD2 3.81Å; V294-L329 HydrophobicContact CB-CG 4.34Å; V294-L329 HydrophobicContact CG1-CD1 4.11Å; V294-L329 HydrophobicContact CG1-CD2 3.73Å; V294-L329 HydrophobicContact CG1-CG 3.68Å; V294-L329 HydrophobicContact CG2-CD2 4.41Å
295	V	86.9	Confident	80.7	Confident	81 Å²	81	47.3 Å²	47.3	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-41	-179.2	171	0	0	0	0	111.7	A291 V292 S297 I298 P299 L329	A291-V295 WeakPolarHBondContact O-CB 3.47Å; A291-V295 VanDerWaalsContact O-CG2 3.31Å; A291-V295 WeakPolarHBondContact O-CG2 3.47Å; A291-V295 PolarHBondContact O-N 3.48Å; V292-V295 PolarHBondContact O-N 3.02Å; V295-S297 VanDerWaalsContact C-N 3.28Å; V295-S297 PolarHBondContact O-N 2.88Å; V295-I298 PolarHBondContact O-N 3.41Å; V295-P299 VanDerWaalsContact O-CD 3.25Å; V295-P299 WeakPolarHBondContact O-CD 3.34Å; V295-L329 HydrophobicContact CG2-CD1 3.79Å; V295-L329 HydrophobicContact CG2-CD2 4.31Å
296	Q	85.4	Confident	78.9	Confident	55 Å²	55	46.8 Å²	46.8	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-69	-27.7	175.7	-71.5	-174	29.3	0	0	112.7	M235 V292 A293 V294 P299 I300	M235-Q296 HydrophobicContact CE-CB 4.23Å; M235-Q296 HydrophobicContact SD-CB 4.3Å; V292-Q296 HydrophobicContact CG1-CG 4.37Å; V292-Q296 VanDerWaalsContact CG1-NE2 3.3Å; V292-Q296 WeakPolarHBondContact O-CB 3.48Å; V292-Q296 WeakPolarHBondContact O-CG 3.44Å; V292-Q296 PolarHBondContact O-N 2.94Å; A293-Q296 PolarHBondContact O-N 2.72Å; V294-Q296 VanDerWaalsContact C-N 3.32Å; V294-Q296 PolarHBondContact O-N 3.3Å; Q296-P299 WeakPolarHBondContact O-CD 3.42Å; Q296-P299 WeakPolarHBondContact O-CG 3.29Å; Q296-I300 WeakPolarHBondContact O-CD1 3.16Å
297	S	82.3	Confident	77.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-75.5	-29.3	178	76.2	0	0	0	0	113.9	A293 V294 V295 I300 F301	A293-S297 WeakPolarHBondContact O-CB 3.45Å; A293-S297 PolarHBondContact O-N 2.8Å; V294-S297 WeakPolarHBondContact CA-OG 3.42Å; V294-S297 WeakPolarHBondContact O-CB 3.44Å; V294-S297 PolarHBondContact O-N 2.83Å; V294-S297 PolarHBondContact O-OG 3.03Å; V295-S297 VanDerWaalsContact C-N 3.28Å; V295-S297 PolarHBondContact O-N 2.88Å; S297-I300 WeakPolarHBondContact O-CB 3.17Å; S297-I300 PolarHBondContact O-N 3.22Å; S297-I300 VanDerWaalsContact O-N 3.11Å; S297-F301 WeakPolarHBondContact O-CD2 3.36Å; S297-F301 PolarHBondContact O-N 3.44Å
298	I	80.8	Confident	75.3	Confident	18 Å²	18	54.2 Å²	54.2	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-52	-55.6	-179.2	-69.2	167.2	0	0	0	113	V294 V295 I300 F301 D302 L325 L329	V294-I298 WeakPolarHBondContact O-CG1 3.24Å; V294-I298 PolarHBondContact O-N 3.02Å; V294-I298 VanDerWaalsContact O-N 3.14Å; V295-I298 PolarHBondContact O-N 3.41Å; I298-I300 PolarHBondContact O-N 3.09Å; I298-F301 PolarHBondContact O-N 3.03Å; I298-D302 PolarHBondContact O-N 3.46Å; I298-L325 HydrophobicContact CD1-CB 4.37Å; I298-L325 HydrophobicContact CG1-CB 3.93Å; I298-L325 HydrophobicContact CG1-CD1 3.91Å; I298-L329 HydrophobicContact CD1-CD1 4.14Å
299	P	77.9	Confident	73.4	Confident	64 Å²	64	54.7 Å²	54.7	42%	0.416	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-28.6	-179.3	25.5	-35	0	0	0	112.6	V295 Q296 Q303	V295-P299 VanDerWaalsContact O-CD 3.25Å; V295-P299 WeakPolarHBondContact O-CD 3.34Å; Q296-P299 WeakPolarHBondContact O-CD 3.42Å; Q296-P299 WeakPolarHBondContact O-CG 3.29Å; P299-Q303 VanDerWaalsContact O-CG 3.24Å; P299-Q303 WeakPolarHBondContact O-CG 3.43Å; P299-Q303 PolarHBondContact O-N 2.95Å; P299-Q303 VanDerWaalsContact O-N 3.13Å
300	I	72.7	Confident	71.5	Confident	15 Å²	15	59.7 Å²	59.7	8%	0.077	32%	0.315	C	S	.	.	H	α-helix	trans	-73.7	-38.7	178.6	-54.7	173.4	0	0	0	110.1	L232 E234 M235 Q296 S297 I298 Q303 T304	L232-I300 HydrophobicContact CD1-CB 4.24Å; L232-I300 HydrophobicContact CD1-CG2 4.12Å; L232-I300 HydrophobicContact CD2-CG2 3.88Å; L232-I300 HydrophobicContact CG-CG2 4.49Å; E234-I300 HydrophobicContact CB-CD1 4.24Å; E234-I300 HydrophobicContact CB-CG2 4.08Å; E234-I300 HydrophobicContact CG-CG2 4.4Å; M235-I300 HydrophobicContact CG-CD1 4.15Å; M235-I300 HydrophobicContact SD-CD1 3.63Å; Q296-I300 WeakPolarHBondContact O-CD1 3.16Å; S297-I300 WeakPolarHBondContact O-CB 3.17Å; S297-I300 PolarHBondContact O-N 3.22Å; S297-I300 VanDerWaalsContact O-N 3.11Å; I298-I300 PolarHBondContact O-N 3.09Å; I300-Q303 PolarHBondContact O-N 2.85Å; I300-T304 HydrophobicContact CG2-CG2 4.31Å; I300-T304 WeakPolarHBondContact O-CB 3.39Å; I300-T304 WeakPolarHBondContact O-CG2 3.32Å; I300-T304 PolarHBondContact O-N 2.87Å; I300-T304 PolarHBondContact O-OG1 3.43Å
301	F	72.2	Confident	69.5	Low	4 Å²	4	62.4 Å²	62.4	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-39.3	173.4	-87.6	-67.9	0	0	0	112.6	L232 S297 I298 Q303 T304 K305 L306 Y307 F321 L325	L232-F301 HydrophobicContact CD1-CD2 3.65Å; L232-F301 HydrophobicContact CD1-CE1 4.49Å; L232-F301 HydrophobicContact CD1-CE2 3.34Å; L232-F301 HydrophobicContact CD1-CG 4.36Å; L232-F301 HydrophobicContact CD1-CZ 3.81Å; L232-F301 HydrophobicContact CD2-CD1 4.18Å; L232-F301 HydrophobicContact CD2-CD2 4.47Å; L232-F301 HydrophobicContact CD2-CE1 3.95Å; L232-F301 HydrophobicContact CD2-CE2 4.27Å; L232-F301 HydrophobicContact CD2-CG 4.43Å; L232-F301 HydrophobicContact CD2-CZ 4Å; L232-F301 HydrophobicContact CG-CD2 4.37Å; L232-F301 HydrophobicContact CG-CE1 4.21Å; L232-F301 HydrophobicContact CG-CE2 3.83Å; L232-F301 HydrophobicContact CG-CZ 3.73Å; S297-F301 WeakPolarHBondContact O-CD2 3.36Å; S297-F301 PolarHBondContact O-N 3.44Å; I298-F301 PolarHBondContact O-N 3.03Å; F301-Q303 VanDerWaalsContact C-N 3.28Å; F301-Q303 PolarHBondContact O-N 3.34Å; F301-T304 WeakPolarHBondContact CA-OG1 3.22Å; F301-K305 PolarHBondContact O-N 2.91Å; F301-L306 HydrophobicContact CD1-CB 4.34Å; F301-L306 HydrophobicContact CE1-CB 4.36Å; F301-Y307 HydrophobicContact CE1-CD2 4.03Å; F301-Y307 HydrophobicContact CE1-CE2 4.39Å; F301-F321 HydrophobicContact CB-CD1 4.41Å; F301-F321 AromaticContact CD1-CD1 3.65Å; F301-F321 HydrophobicContact CD1-CD1 3.65Å; F301-F321 HydrophobicContact CD1-CE1 4.11Å; F301-F321 HydrophobicContact CD2-CD1 4.13Å; F301-F321 HydrophobicContact CD2-CE1 4.18Å; F301-F321 AromaticContact CE1-CD1 3.86Å; F301-F321 HydrophobicContact CE1-CD1 3.86Å; F301-F321 AromaticContact CE1-CE1 3.87Å; F301-F321 HydrophobicContact CE1-CE1 3.87Å; F301-F321 HydrophobicContact CE2-CD1 4.29Å; F301-F321 AromaticContact CE2-CE1 3.91Å; F301-F321 HydrophobicContact CE2-CE1 3.91Å; F301-F321 AromaticContact CG-CD1 3.81Å; F301-F321 HydrophobicContact CG-CD1 3.81Å; F301-F321 HydrophobicContact CG-CE1 4.27Å; F301-F321 HydrophobicContact CZ-CD1 4.17Å; F301-F321 AromaticContact CZ-CE1 3.77Å; F301-F321 HydrophobicContact CZ-CE1 3.77Å; F301-L325 HydrophobicContact CB-CD1 4.4Å; F301-L325 HydrophobicContact CD2-CD1 3.55Å; F301-L325 HydrophobicContact CE2-CD1 4.13Å; F301-L325 HydrophobicContact CG-CD1 4.19Å
302	D	67.6	Low	67.2	Low	66 Å²	66	66.2 Å²	66.2	35%	0.353	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-34.6	174.8	-78.7	-32.2	0	0	0	112.1	I298 N320 S322	I298-D302 PolarHBondContact O-N 3.46Å; D302-N320 PolarHBondContact OD1-ND2 3.27Å; D302-S322 WeakPolarHBondContact OD1-CB 3.37Å; D302-S322 PolarHBondContact OD1-OG 3.29Å; D302-S322 PolarHBondContact OD2-OG 2.85Å
303	Q	64.1	Low	65.1	Low	157 Å²	157	74.1 Å²	74.1	73%	0.734	38%	0.383	S	S	*	.	H	α-helix	trans	-76.4	-44	177.4	-74	174.2	4.3	0	0	113	P299 I300 F301	P299-Q303 VanDerWaalsContact O-CG 3.24Å; P299-Q303 WeakPolarHBondContact O-CG 3.43Å; P299-Q303 PolarHBondContact O-N 2.95Å; P299-Q303 VanDerWaalsContact O-N 3.13Å; I300-Q303 PolarHBondContact O-N 2.85Å; F301-Q303 VanDerWaalsContact C-N 3.28Å; F301-Q303 PolarHBondContact O-N 3.34Å
304	T	59.6	Low	63.5	Low	61 Å²	61	78.7 Å²	78.7	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-78.9	-18	-176.8	52.4	0	0	0	0	113.4	I300 F301 L306	I300-T304 HydrophobicContact CG2-CG2 4.31Å; I300-T304 WeakPolarHBondContact O-CB 3.39Å; I300-T304 WeakPolarHBondContact O-CG2 3.32Å; I300-T304 PolarHBondContact O-N 2.87Å; I300-T304 PolarHBondContact O-OG1 3.43Å; F301-T304 WeakPolarHBondContact CA-OG1 3.22Å; T304-L306 HydrophobicContact CG2-CD1 4.38Å; T304-L306 PolarHBondContact O-N 3.25Å
305	K	60.6	Low	61.7	Low	155 Å²	155	85.2 Å²	85.2	67%	0.674	45%	0.454	S	S	*	.			trans	55	13.1	-175.2	-62.5	-176.2	179.4	177.6	0	114.8	F301 Y307 S308	F301-K305 PolarHBondContact O-N 2.91Å; K305-Y307 PolarHBondContact O-N 2.87Å; K305-S308 WeakPolarHBondContact O-CB 3.48Å; K305-S308 PolarHBondContact O-N 3.27Å; K305-S308 PolarHBondContact O-OG 2.92Å
306	L	51.9	Low	59.5	Low	78 Å²	78	83.6 Å²	83.6	41%	0.408	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	133.9	177.6	-69.5	165.5	0	0	0	109.6	L232 F301 T304 S308	L232-L306 HydrophobicContact CD2-CD1 4.3Å; F301-L306 HydrophobicContact CD1-CB 4.34Å; F301-L306 HydrophobicContact CE1-CB 4.36Å; T304-L306 HydrophobicContact CG2-CD1 4.38Å; T304-L306 PolarHBondContact O-N 3.25Å; L306-S308 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 2.79Å
307	Y	53.1	Low	57.6	Low	136 Å²	136	87.3 Å²	87.3	53%	0.533	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	11.9	-174.8	-55.3	-73.6	0	0	0	117.5	S231 F301 K305 I309	S231-Y307 PolarHBondContact OG-OH 2.66Å; F301-Y307 HydrophobicContact CE1-CD2 4.03Å; F301-Y307 HydrophobicContact CE1-CE2 4.39Å; K305-Y307 PolarHBondContact O-N 2.87Å; Y307-I309 PolarHBondContact O-N 3.22Å
308	S	47.5	Very low	56	Low	34 Å²	34	90.6 Å²	90.6	24%	0.238	50%	0.503	C	S	.	.			trans	-73	111.4	169.2	-62.9	0	0	0	0	109.9	K305 L306 P310	K305-S308 WeakPolarHBondContact O-CB 3.48Å; K305-S308 PolarHBondContact O-N 3.27Å; K305-S308 PolarHBondContact O-OG 2.92Å; L306-S308 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 2.79Å; S308-P310 VanDerWaalsContact O-CD 3.22Å; S308-P310 WeakPolarHBondContact O-CD 3.2Å
309	I	50.7	Low	54.6	Low	118 Å²	118	94.7 Å²	94.7	61%	0.605	52%	0.524	S	S	*	.	B	Isolated β-bridge	trans	-76.6	114.3	174.3	-58.6	171	0	0	0	107.7	Y307 L311	Y307-I309 PolarHBondContact O-N 3.22Å; I309-L311 HydrophobicContact CG2-CD1 4.2Å; I309-L311 PolarHBondContact O-N 3.1Å; I309-L311 VanDerWaalsContact O-N 3.08Å
310	P	48.4	Very low	53.9	Low	116 Å²	116	93.8 Å²	93.8	75%	0.753	52%	0.516	S	S	*	.			trans	-72.7	103.7	172.3	29.7	-30.7	0	0	0	108.3	S308	S308-P310 VanDerWaalsContact O-CD 3.22Å; S308-P310 WeakPolarHBondContact O-CD 3.2Å
311	L	47	Very low	53.7	Low	74 Å²	74	94.4 Å²	94.4	39%	0.387	52%	0.518	S	S	.	.			trans	-72.4	145.2	174.5	-127.5	73.6	0	0	0	110.4	I309 I315	I309-L311 HydrophobicContact CG2-CD1 4.2Å; I309-L311 PolarHBondContact O-N 3.1Å; I309-L311 VanDerWaalsContact O-N 3.08Å; L311-I315 HydrophobicContact CD2-CB 4.08Å; L311-I315 HydrophobicContact CD2-CG2 4.03Å
312	P	39.8	Very low	53.6	Low	101 Å²	101	94.6 Å²	94.6	66%	0.656	52%	0.52	S	S	*	.			trans	-60.6	146.6	176.4	-17	29.5	0	0	0	111.2	A314 I315	P312-A314 PolarHBondContact O-N 3.01Å; P312-I315 PolarHBondContact O-N 2.82Å
313	K	44.8	Very low	53.9	Low	223 Å²	223	99.2 Å²	99.2	97%	0.97	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-1.2	-172.5	-78.5	-180	174	178.6	0	117.5
314	A	54	Low	54.6	Low	96 Å²	96	95 Å²	95	79%	0.793	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-16.5	-177.4	0	0	0	0	0	114.8	P312	P312-A314 PolarHBondContact O-N 3.01Å
315	I	48.9	Very low	55.6	Low	138 Å²	138	92.1 Å²	92.1	71%	0.708	50%	0.5	S	S	*	.	S	Bend	trans	-118.4	-11.3	-171.5	-60.3	178.5	0	0	0	113.8	L311 P312	L311-I315 HydrophobicContact CD2-CB 4.08Å; L311-I315 HydrophobicContact CD2-CG2 4.03Å; P312-I315 PolarHBondContact O-N 2.82Å
316	G	41.5	Very low	56.6	Low	46 Å²	46	89.5 Å²	89.5	47%	0.474	49%	0.491	S	S	.	.			trans	74.1	143	172.9	0	0	0	0	0	114.8
317	T	43.6	Very low	58.1	Low	133 Å²	133	90 Å²	90	82%	0.816	50%	0.497	S	S	*	.	S	Bend	trans	55.1	114.6	176.2	57.5	0	0	0	0	117	I319	T317-I319 PolarHBondContact O-N 3.41Å
318	S	49.5	Very low	59.6	Low	70 Å²	70	84.9 Å²	84.9	49%	0.49	48%	0.477	S	S	.	.			trans	-54	127.5	169.1	48.3	0	0	0	0	111	N320	S318-N320 PolarHBondContact O-N 3.45Å
319	I	52.2	Low	61.5	Low	104 Å²	104	85 Å²	85	53%	0.533	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-72.8	99.5	170.7	-60.2	171.4	0	0	0	107	T317	T317-I319 PolarHBondContact O-N 3.41Å
320	N	63.1	Low	63.2	Low	44 Å²	44	84.4 Å²	84.4	24%	0.235	48%	0.476	C	S	.	.			trans	-65	135.8	171.6	-100.5	20.9	0	0	0	109.4	D302 S318 S322 Y323	D302-N320 PolarHBondContact OD1-ND2 3.27Å; S318-N320 PolarHBondContact O-N 3.45Å; N320-S322 PolarHBondContact O-N 2.91Å; N320-Y323 HydrophobicContact CB-CD2 4.33Å; N320-Y323 PolarHBondContact O-N 3.06Å
321	F	68.1	Low	64.9	Low	28 Å²	28	83.7 Å²	83.7	12%	0.123	47%	0.465	C	S	.	.	H	α-helix	trans	-55	-22.5	174.7	-173.9	-111.4	0	0	0	112.7	F223 I227 F301 Y323 V324 L325	F223-F321 HydrophobicContact CZ-CZ 4.33Å; I227-F321 HydrophobicContact CG2-CE1 4.09Å; I227-F321 HydrophobicContact CG2-CZ 3.62Å; F301-F321 HydrophobicContact CB-CD1 4.41Å; F301-F321 AromaticContact CD1-CD1 3.65Å; F301-F321 HydrophobicContact CD1-CD1 3.65Å; F301-F321 HydrophobicContact CD1-CE1 4.11Å; F301-F321 HydrophobicContact CD2-CD1 4.13Å; F301-F321 HydrophobicContact CD2-CE1 4.18Å; F301-F321 AromaticContact CE1-CD1 3.86Å; F301-F321 HydrophobicContact CE1-CD1 3.86Å; F301-F321 AromaticContact CE1-CE1 3.87Å; F301-F321 HydrophobicContact CE1-CE1 3.87Å; F301-F321 HydrophobicContact CE2-CD1 4.29Å; F301-F321 AromaticContact CE2-CE1 3.91Å; F301-F321 HydrophobicContact CE2-CE1 3.91Å; F301-F321 AromaticContact CG-CD1 3.81Å; F301-F321 HydrophobicContact CG-CD1 3.81Å; F301-F321 HydrophobicContact CG-CE1 4.27Å; F301-F321 HydrophobicContact CZ-CD1 4.17Å; F301-F321 AromaticContact CZ-CE1 3.77Å; F301-F321 HydrophobicContact CZ-CE1 3.77Å; F321-Y323 VanDerWaalsContact C-N 3.29Å; F321-Y323 PolarHBondContact O-N 3.38Å; F321-V324 HydrophobicContact CD2-CB 4.27Å; F321-V324 HydrophobicContact CE2-CB 4.34Å; F321-V324 HydrophobicContact CE2-CG1 4.24Å; F321-V324 WeakPolarHBondContact O-CA 3.39Å; F321-V324 WeakPolarHBondContact O-CB 3.38Å; F321-V324 PolarHBondContact O-N 2.92Å; F321-L325 HydrophobicContact CD1-CD1 3.89Å; F321-L325 HydrophobicContact CD1-CG 4.04Å; F321-L325 HydrophobicContact CE1-CD1 3.88Å; F321-L325 HydrophobicContact CE1-CD2 3.8Å; F321-L325 HydrophobicContact CE1-CG 3.78Å; F321-L325 HydrophobicContact CZ-CD2 4.2Å; F321-L325 HydrophobicContact CZ-CG 4.4Å; F321-L325 PolarHBondContact O-N 2.98Å; F321-L325 VanDerWaalsContact O-N 3.1Å
322	S	70.4	Confident	66.7	Low	8 Å²	8	81.3 Å²	81.3	6%	0.056	45%	0.452	C	S	.	.	H	α-helix	trans	-56.2	-35.2	172.5	-58.7	0	0	0	0	114.1	D302 N320 V324 L325 H326	D302-S322 WeakPolarHBondContact OD1-CB 3.37Å; D302-S322 PolarHBondContact OD1-OG 3.29Å; D302-S322 PolarHBondContact OD2-OG 2.85Å; N320-S322 PolarHBondContact O-N 2.91Å; S322-V324 VanDerWaalsContact C-N 3.32Å; S322-V324 PolarHBondContact O-N 3.26Å; S322-L325 PolarHBondContact O-N 3.07Å; S322-H326 PolarHBondContact O-N 3.34Å; S322-H326 PolarHBondContact O-ND1 3.02Å
323	Y	74.3	Confident	68.9	Low	163 Å²	163	82.6 Å²	82.6	64%	0.639	45%	0.448	S	S	*	.	H	α-helix	trans	-65.6	-37.2	174.4	-73.6	-77.1	0	0	0	111.9	N320 F321 L325 H326 V327	N320-Y323 HydrophobicContact CB-CD2 4.33Å; N320-Y323 PolarHBondContact O-N 3.06Å; F321-Y323 VanDerWaalsContact C-N 3.29Å; F321-Y323 PolarHBondContact O-N 3.38Å; Y323-L325 VanDerWaalsContact C-N 3.35Å; Y323-H326 PolarHBondContact O-N 3.23Å; Y323-V327 WeakPolarHBondContact O-CG2 3.23Å; Y323-V327 PolarHBondContact O-N 3.24Å
324	V	76.9	Confident	70.7	Confident	69 Å²	69	77 Å²	77	42%	0.418	43%	0.428	S	S	.	.	H	α-helix	trans	-64.7	-40.9	175.6	179.9	0	0	0	0	110.4	F321 S322 V327 Y328	F321-V324 HydrophobicContact CD2-CB 4.27Å; F321-V324 HydrophobicContact CE2-CB 4.34Å; F321-V324 HydrophobicContact CE2-CG1 4.24Å; F321-V324 WeakPolarHBondContact O-CA 3.39Å; F321-V324 WeakPolarHBondContact O-CB 3.38Å; F321-V324 PolarHBondContact O-N 2.92Å; S322-V324 VanDerWaalsContact C-N 3.32Å; S322-V324 PolarHBondContact O-N 3.26Å; V324-V327 PolarHBondContact O-N 2.81Å; V324-Y328 WeakPolarHBondContact O-CB 3.43Å; V324-Y328 PolarHBondContact O-N 2.74Å
325	L	80.9	Confident	72	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-65.9	-38.6	176.5	-67.1	172.7	0	0	0	112.8	F223 V294 I298 F301 F321 S322 Y323 Y328 L329	F223-L325 HydrophobicContact CE1-CD2 3.9Å; F223-L325 HydrophobicContact CZ-CD2 3.94Å; V294-L325 HydrophobicContact CG1-CB 4.25Å; V294-L325 HydrophobicContact CG1-CD2 4.25Å; I298-L325 HydrophobicContact CD1-CB 4.37Å; I298-L325 HydrophobicContact CG1-CB 3.93Å; I298-L325 HydrophobicContact CG1-CD1 3.91Å; F301-L325 HydrophobicContact CB-CD1 4.4Å; F301-L325 HydrophobicContact CD2-CD1 3.55Å; F301-L325 HydrophobicContact CE2-CD1 4.13Å; F301-L325 HydrophobicContact CG-CD1 4.19Å; F321-L325 HydrophobicContact CD1-CD1 3.89Å; F321-L325 HydrophobicContact CD1-CG 4.04Å; F321-L325 HydrophobicContact CE1-CD1 3.88Å; F321-L325 HydrophobicContact CE1-CD2 3.8Å; F321-L325 HydrophobicContact CE1-CG 3.78Å; F321-L325 HydrophobicContact CZ-CD2 4.2Å; F321-L325 HydrophobicContact CZ-CG 4.4Å; F321-L325 PolarHBondContact O-N 2.98Å; F321-L325 VanDerWaalsContact O-N 3.1Å; S322-L325 PolarHBondContact O-N 3.07Å; Y323-L325 VanDerWaalsContact C-N 3.35Å; L325-Y328 WeakPolarHBondContact O-CB 3.32Å; L325-Y328 PolarHBondContact O-N 3.48Å; L325-L329 PolarHBondContact O-N 2.92Å
326	H	82.5	Confident	73.7	Confident	101 Å²	101	67.6 Å²	67.6	47%	0.468	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-43.2	174.1	-75.2	86.1	0	0	0	111.8	S322 Y323 Y328 L329 V330	S322-H326 PolarHBondContact O-N 3.34Å; S322-H326 PolarHBondContact O-ND1 3.02Å; Y323-H326 PolarHBondContact O-N 3.23Å; H326-Y328 VanDerWaalsContact C-N 3.3Å; H326-Y328 PolarHBondContact O-N 3.32Å; H326-L329 PolarHBondContact O-N 3.44Å; H326-V330 PolarHBondContact O-N 3.08Å
327	V	83.1	Confident	75.8	Confident	88 Å²	88	71.3 Å²	71.3	53%	0.533	37%	0.371	S	S	.	.	H	α-helix	trans	-62.1	-40.9	173.4	172.5	0	0	0	0	110.5	Y323 V324 L329 V330 L331	Y323-V327 WeakPolarHBondContact O-CG2 3.23Å; Y323-V327 PolarHBondContact O-N 3.24Å; V324-V327 PolarHBondContact O-N 2.81Å; V327-L329 PolarHBondContact O-N 3.4Å; V327-V330 PolarHBondContact O-N 3.21Å; V327-L331 HydrophobicContact CG1-CD1 4.04Å; V327-L331 HydrophobicContact CG1-CG 4.34Å; V327-L331 WeakPolarHBondContact O-CG 3.46Å; V327-L331 PolarHBondContact O-N 3.48Å
328	Y	85.4	Confident	77.6	Confident	29 Å²	29	69 Å²	69	11%	0.114	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-41.9	176.3	179.4	-99.7	0	0	0	112.4	G220 F223 V294 V324 L325 H326 V330 L331 M332	G220-Y328 WeakPolarHBondContact CA-OH 3.32Å; G220-Y328 PolarHBondContact O-OH 2.94Å; G220-Y328 VanDerWaalsContact O-OH 3.09Å; F223-Y328 HydrophobicContact CB-CE2 4.12Å; F223-Y328 AromaticContact CD1-CD1 3.93Å; F223-Y328 HydrophobicContact CD1-CD1 3.93Å; F223-Y328 AromaticContact CD1-CD2 3.88Å; F223-Y328 HydrophobicContact CD1-CD2 3.88Å; F223-Y328 AromaticContact CD1-CE1 3.61Å; F223-Y328 HydrophobicContact CD1-CE1 3.61Å; F223-Y328 AromaticContact CD1-CE2 3.54Å; F223-Y328 HydrophobicContact CD1-CE2 3.54Å; F223-Y328 HydrophobicContact CD1-CG 4.06Å; F223-Y328 AromaticContact CD1-CZ 3.41Å; F223-Y328 VanDerWaalsContact CD1-CZ 3.41Å; F223-Y328 HydrophobicContact CD2-CE2 4.5Å; F223-Y328 AromaticContact CE1-CD1 3.7Å; F223-Y328 HydrophobicContact CE1-CD1 3.7Å; F223-Y328 AromaticContact CE1-CD2 3.9Å; F223-Y328 HydrophobicContact CE1-CD2 3.9Å; F223-Y328 AromaticContact CE1-CE1 3.87Å; F223-Y328 HydrophobicContact CE1-CE1 3.87Å; F223-Y328 HydrophobicContact CE1-CE2 4.06Å; F223-Y328 AromaticContact CE1-CG 3.72Å; F223-Y328 HydrophobicContact CE1-CG 3.72Å; F223-Y328 HydrophobicContact CG-CD2 4.25Å; F223-Y328 AromaticContact CG-CE2 3.8Å; F223-Y328 HydrophobicContact CG-CE2 3.8Å; F223-Y328 AromaticContact CG-CZ 4Å; F223-Y328 HydrophobicContact CZ-CD2 4.29Å; F223-Y328 HydrophobicContact CZ-CG 4.24Å; V294-Y328 HydrophobicContact CG1-CD1 4.4Å; V294-Y328 HydrophobicContact CG2-CD1 3.93Å; V294-Y328 HydrophobicContact CG2-CE1 3.79Å; V324-Y328 WeakPolarHBondContact O-CB 3.43Å; V324-Y328 PolarHBondContact O-N 2.74Å; L325-Y328 WeakPolarHBondContact O-CB 3.32Å; L325-Y328 PolarHBondContact O-N 3.48Å; H326-Y328 VanDerWaalsContact C-N 3.3Å; H326-Y328 PolarHBondContact O-N 3.32Å; Y328-V330 VanDerWaalsContact C-N 3.32Å; Y328-V330 PolarHBondContact O-N 2.99Å; Y328-L331 PolarHBondContact O-N 2.78Å; Y328-M332 HydrophobicContact CE1-SD 4.23Å; Y328-M332 WeakPolarHBondContact O-CB 3.49Å; Y328-M332 PolarHBondContact O-N 3.4Å
329	L	86.3	Confident	79.2	Confident	37 Å²	37	65.7 Å²	65.7	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-43.4	174.7	-76.8	171.6	0	0	0	112.2	A291 V294 V295 I298 L325 H326 V327 M332 F333	A291-L329 HydrophobicContact CB-CD2 4.26Å; V294-L329 HydrophobicContact CB-CD2 3.81Å; V294-L329 HydrophobicContact CB-CG 4.34Å; V294-L329 HydrophobicContact CG1-CD1 4.11Å; V294-L329 HydrophobicContact CG1-CD2 3.73Å; V294-L329 HydrophobicContact CG1-CG 3.68Å; V294-L329 HydrophobicContact CG2-CD2 4.41Å; V295-L329 HydrophobicContact CG2-CD1 3.79Å; V295-L329 HydrophobicContact CG2-CD2 4.31Å; I298-L329 HydrophobicContact CD1-CD1 4.14Å; L325-L329 PolarHBondContact O-N 2.92Å; H326-L329 PolarHBondContact O-N 3.44Å; V327-L329 PolarHBondContact O-N 3.4Å; L329-M332 HydrophobicContact CD2-CE 4.1Å; L329-M332 PolarHBondContact O-N 3.33Å; L329-F333 PolarHBondContact O-N 2.76Å; L329-F333 VanDerWaalsContact O-N 3.14Å
330	V	86.4	Confident	80.7	Confident	105 Å²	105	64.5 Å²	64.5	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-64.6	-44.6	176.6	178.2	0	0	0	0	110.8	H326 V327 Y328 M332 F333 L334	H326-V330 PolarHBondContact O-N 3.08Å; V327-V330 PolarHBondContact O-N 3.21Å; Y328-V330 VanDerWaalsContact C-N 3.32Å; Y328-V330 PolarHBondContact O-N 2.99Å; V330-M332 VanDerWaalsContact C-N 3.31Å; V330-M332 PolarHBondContact O-N 3.19Å; V330-F333 PolarHBondContact O-N 2.94Å; V330-L334 PolarHBondContact O-N 2.79Å; V330-L334 VanDerWaalsContact O-N 3.08Å
331	L	85.3	Confident	81.6	Confident	101 Å²	101	72.1 Å²	72.1	53%	0.529	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-37.5	177.2	-71.1	174.7	0	0	0	112.3	V327 Y328 L334 G335	V327-L331 HydrophobicContact CG1-CD1 4.04Å; V327-L331 HydrophobicContact CG1-CG 4.34Å; V327-L331 WeakPolarHBondContact O-CG 3.46Å; V327-L331 PolarHBondContact O-N 3.48Å; Y328-L331 PolarHBondContact O-N 2.78Å; L331-L334 PolarHBondContact O-N 2.91Å; L331-G335 PolarHBondContact O-N 2.81Å
332	M	84.2	Confident	82.3	Confident	23 Å²	23	73.6 Å²	73.6	11%	0.113	35%	0.353	C	S	.	.	H	α-helix	trans	-65.8	-40.4	178.4	-169.9	178.9	68.3	0	0	111.3	V287 E290 A291 Y328 L329 V330 G335 L336	V287-M332 HydrophobicContact CG1-CE 4Å; V287-M332 HydrophobicContact CG1-CG 3.97Å; V287-M332 HydrophobicContact CG1-SD 4.15Å; E290-M332 HydrophobicContact CB-SD 4.05Å; A291-M332 HydrophobicContact CB-CE 3.4Å; A291-M332 VanDerWaalsContact CB-CE 3.4Å; Y328-M332 HydrophobicContact CE1-SD 4.23Å; Y328-M332 WeakPolarHBondContact O-CB 3.49Å; Y328-M332 PolarHBondContact O-N 3.4Å; L329-M332 HydrophobicContact CD2-CE 4.1Å; L329-M332 PolarHBondContact O-N 3.33Å; V330-M332 VanDerWaalsContact C-N 3.31Å; V330-M332 PolarHBondContact O-N 3.19Å; M332-G335 PolarHBondContact O-N 2.81Å; M332-L336 PolarHBondContact O-N 2.77Å
333	F	84.9	Confident	82.8	Confident	128 Å²	128	74 Å²	74	56%	0.561	35%	0.354	S	S	*	.	H	α-helix	trans	-62.4	-46.4	173.1	-165.7	-114.2	0	0	0	111	L329 V330 G335 L336 F337	L329-F333 PolarHBondContact O-N 2.76Å; L329-F333 VanDerWaalsContact O-N 3.14Å; V330-F333 PolarHBondContact O-N 2.94Å; F333-G335 VanDerWaalsContact C-N 3.34Å; F333-G335 PolarHBondContact O-N 2.87Å; F333-L336 WeakPolarHBondContact O-CB 3.44Å; F333-L336 PolarHBondContact O-N 2.82Å; F333-F337 HydrophobicContact CD1-CD2 4.21Å; F333-F337 AromaticContact CD1-CE2 3.6Å; F333-F337 HydrophobicContact CD1-CE2 3.6Å; F333-F337 HydrophobicContact CD2-CE2 4.09Å; F333-F337 HydrophobicContact CE1-CD2 4.24Å; F333-F337 AromaticContact CE1-CE2 3.26Å; F333-F337 HydrophobicContact CE1-CE2 3.26Å; F333-F337 AromaticContact CE1-CZ 3.88Å; F333-F337 HydrophobicContact CE1-CZ 3.88Å; F333-F337 AromaticContact CE2-CE2 3.77Å; F333-F337 HydrophobicContact CE2-CE2 3.77Å; F333-F337 HydrophobicContact CE2-CZ 4.26Å; F333-F337 HydrophobicContact CG-CE2 4.02Å; F333-F337 AromaticContact CZ-CE2 3.36Å; F333-F337 HydrophobicContact CZ-CE2 3.36Å; F333-F337 AromaticContact CZ-CZ 3.68Å; F333-F337 HydrophobicContact CZ-CZ 3.68Å; F333-F337 WeakPolarHBondContact O-CD2 2.73Å; F333-F337 PolarHBondContact O-N 2.95Å
334	L	83.9	Confident	83.2	Confident	106 Å²	106	72.3 Å²	72.3	56%	0.555	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-43.6	176	-163.5	106.7	0	0	0	112.1	V330 L331 L336 F337 I338	V330-L334 PolarHBondContact O-N 2.79Å; V330-L334 VanDerWaalsContact O-N 3.08Å; L331-L334 PolarHBondContact O-N 2.91Å; L334-L336 VanDerWaalsContact C-N 3.31Å; L334-L336 PolarHBondContact O-N 2.75Å; L334-F337 PolarHBondContact O-N 2.82Å; L334-I338 HydrophobicContact CD2-CD1 3.85Å; L334-I338 HydrophobicContact CG-CD1 4.29Å; L334-I338 WeakPolarHBondContact O-CG1 3.34Å; L334-I338 PolarHBondContact O-N 2.75Å
335	G	81.6	Confident	83.4	Confident	8 Å²	8	74.6 Å²	74.6	8%	0.082	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-37.9	176.7	0	0	0	0	0	112.9	L331 M332 F333 I338 N339	L331-G335 PolarHBondContact O-N 2.81Å; M332-G335 PolarHBondContact O-N 2.81Å; F333-G335 VanDerWaalsContact C-N 3.34Å; F333-G335 PolarHBondContact O-N 2.87Å; G335-I338 PolarHBondContact O-N 2.8Å; G335-N339 WeakPolarHBondContact O-CB 3.27Å; G335-N339 PolarHBondContact O-N 3.34Å; G335-N339 PolarHBondContact O-ND2 2.82Å
336	L	84.4	Confident	83.3	Confident	29 Å²	29	77.6 Å²	77.6	15%	0.152	37%	0.366	C	S	.	.	H	α-helix	trans	-58.7	-50.6	173.7	177.5	74.6	0	0	0	110.9	Y283 V287 M332 F333 L334 I338 N339 F340	Y283-L336 HydrophobicContact CD1-CD1 3.72Å; Y283-L336 HydrophobicContact CE1-CD1 3.54Å; V287-L336 HydrophobicContact CB-CD1 4.15Å; V287-L336 HydrophobicContact CG1-CB 4.48Å; V287-L336 HydrophobicContact CG1-CD1 4.31Å; V287-L336 HydrophobicContact CG1-CD2 4.44Å; V287-L336 HydrophobicContact CG2-CD1 3.85Å; M332-L336 PolarHBondContact O-N 2.77Å; F333-L336 WeakPolarHBondContact O-CB 3.44Å; F333-L336 PolarHBondContact O-N 2.82Å; L334-L336 VanDerWaalsContact C-N 3.31Å; L334-L336 PolarHBondContact O-N 2.75Å; L336-I338 PolarHBondContact O-N 2.85Å; L336-N339 PolarHBondContact O-N 2.93Å; L336-F340 WeakPolarHBondContact O-CB 3.49Å; L336-F340 PolarHBondContact O-N 2.9Å
337	F	84.2	Confident	83.3	Confident	123 Å²	123	76.4 Å²	76.4	54%	0.539	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-44.1	-179.9	-76.7	-84.2	0	0	0	112.7	F333 L334 F340 R341	F333-F337 HydrophobicContact CD1-CD2 4.21Å; F333-F337 AromaticContact CD1-CE2 3.6Å; F333-F337 HydrophobicContact CD1-CE2 3.6Å; F333-F337 HydrophobicContact CD2-CE2 4.09Å; F333-F337 HydrophobicContact CE1-CD2 4.24Å; F333-F337 AromaticContact CE1-CE2 3.26Å; F333-F337 HydrophobicContact CE1-CE2 3.26Å; F333-F337 AromaticContact CE1-CZ 3.88Å; F333-F337 HydrophobicContact CE1-CZ 3.88Å; F333-F337 AromaticContact CE2-CE2 3.77Å; F333-F337 HydrophobicContact CE2-CE2 3.77Å; F333-F337 HydrophobicContact CE2-CZ 4.26Å; F333-F337 HydrophobicContact CG-CE2 4.02Å; F333-F337 AromaticContact CZ-CE2 3.36Å; F333-F337 HydrophobicContact CZ-CE2 3.36Å; F333-F337 AromaticContact CZ-CZ 3.68Å; F333-F337 HydrophobicContact CZ-CZ 3.68Å; F333-F337 WeakPolarHBondContact O-CD2 2.73Å; F333-F337 PolarHBondContact O-N 2.95Å; L334-F337 PolarHBondContact O-N 2.82Å; F337-F340 PolarHBondContact O-N 3.01Å; F337-R341 WeakPolarHBondContact O-CB 3.4Å; F337-R341 PolarHBondContact O-N 3.08Å
338	I	83	Confident	83.2	Confident	85 Å²	85	78.3 Å²	78.3	44%	0.436	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-48.6	180	-65.3	168.8	0	0	0	110.1	L334 G335 L336 R341 H342	L334-I338 HydrophobicContact CD2-CD1 3.85Å; L334-I338 HydrophobicContact CG-CD1 4.29Å; L334-I338 WeakPolarHBondContact O-CG1 3.34Å; L334-I338 PolarHBondContact O-N 2.75Å; G335-I338 PolarHBondContact O-N 2.8Å; L336-I338 PolarHBondContact O-N 2.85Å; I338-R341 PolarHBondContact O-N 3.34Å; I338-H342 WeakPolarHBondContact O-CB 3.41Å; I338-H342 PolarHBondContact O-N 3.32Å
339	N	82.3	Confident	82.8	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-65.5	-43.6	179.1	-85.5	-72.1	0	0	0	112.2	Q217 Y283 G335 L336 R341 H342 L343	Q217-N339 PolarHBondContact NE2-OD1 3.28Å; Y283-N339 HydrophobicContact CE1-CB 3.88Å; Y283-N339 WeakPolarHBondContact OH-CB 3.33Å; G335-N339 WeakPolarHBondContact O-CB 3.27Å; G335-N339 PolarHBondContact O-N 3.34Å; G335-N339 PolarHBondContact O-ND2 2.82Å; L336-N339 PolarHBondContact O-N 2.93Å; N339-R341 VanDerWaalsContact C-N 3.35Å; N339-R341 PolarHBondContact O-N 2.89Å; N339-H342 WeakPolarHBondContact O-CB 3.5Å; N339-H342 PolarHBondContact O-N 3.11Å; N339-H342 VanDerWaalsContact O-N 3.14Å; N339-L343 WeakPolarHBondContact O-CB 3.44Å; N339-L343 WeakPolarHBondContact O-CG 3.43Å; N339-L343 PolarHBondContact O-N 2.82Å
340	F	83.4	Confident	82.1	Confident	78 Å²	78	87.1 Å²	87.1	34%	0.342	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-45.7	179	-164.3	-82.3	0	0	0	111.1	W279 P284 L336 F337 H342 L343 Y344	W279-F340 HydrophobicContact CE3-CD2 4.49Å; W279-F340 HydrophobicContact CH2-CD2 4.4Å; W279-F340 HydrophobicContact CH2-CE1 4.43Å; W279-F340 HydrophobicContact CH2-CE2 4.27Å; W279-F340 HydrophobicContact CH2-CZ 4.28Å; W279-F340 HydrophobicContact CZ3-CD1 4.47Å; W279-F340 AromaticContact CZ3-CD2 3.6Å; W279-F340 HydrophobicContact CZ3-CD2 3.6Å; W279-F340 HydrophobicContact CZ3-CE1 4.49Å; W279-F340 AromaticContact CZ3-CE2 3.61Å; W279-F340 HydrophobicContact CZ3-CE2 3.61Å; W279-F340 HydrophobicContact CZ3-CG 4.03Å; W279-F340 HydrophobicContact CZ3-CZ 4.08Å; P284-F340 HydrophobicContact CG-CE2 4.46Å; L336-F340 WeakPolarHBondContact O-CB 3.49Å; L336-F340 PolarHBondContact O-N 2.9Å; F337-F340 PolarHBondContact O-N 3.01Å; F340-H342 VanDerWaalsContact C-N 3.32Å; F340-H342 PolarHBondContact O-N 3.16Å; F340-L343 PolarHBondContact O-N 2.81Å; F340-Y344 VanDerWaalsContact O-CB 3.26Å; F340-Y344 WeakPolarHBondContact O-CB 3.41Å; F340-Y344 PolarHBondContact O-N 3.25Å
341	R	82.9	Confident	81.4	Confident	204 Å²	204	85.8 Å²	85.8	77%	0.77	38%	0.375	S	S	*	.	H	α-helix	trans	-62.4	-40	175.7	-169.1	177.5	-175.6	-174.9	2.2	111.6	F337 I338 N339 K345	F337-R341 WeakPolarHBondContact O-CB 3.4Å; F337-R341 PolarHBondContact O-N 3.08Å; I338-R341 PolarHBondContact O-N 3.34Å; N339-R341 VanDerWaalsContact C-N 3.35Å; N339-R341 PolarHBondContact O-N 2.89Å; R341-K345 WeakPolarHBondContact O-CB 3.16Å; R341-K345 PolarHBondContact O-N 3.23Å
342	H	81	Confident	80.5	Confident	59 Å²	59	89.2 Å²	89.2	27%	0.273	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-51.7	176.9	-175.6	84.6	0	0	0	112	I338 N339 F340 Y344 K345 Q346	I338-H342 WeakPolarHBondContact O-CB 3.41Å; I338-H342 PolarHBondContact O-N 3.32Å; N339-H342 WeakPolarHBondContact O-CB 3.5Å; N339-H342 PolarHBondContact O-N 3.11Å; N339-H342 VanDerWaalsContact O-N 3.14Å; F340-H342 VanDerWaalsContact C-N 3.32Å; F340-H342 PolarHBondContact O-N 3.16Å; H342-Y344 VanDerWaalsContact C-N 3.34Å; H342-Y344 PolarHBondContact O-N 2.93Å; H342-K345 WeakPolarHBondContact O-CB 3.25Å; H342-K345 PolarHBondContact O-N 3.07Å; H342-K345 VanDerWaalsContact O-N 3.16Å; H342-Q346 PolarHBondContact CD2-NE2 2.9Å; H342-Q346 PolarHBondContact NE2-NE2 3.03Å; H342-Q346 WeakPolarHBondContact O-CG 3.34Å; H342-Q346 PolarHBondContact O-N 2.8Å
343	L	81.5	Confident	79.3	Confident	16 Å²	16	91.7 Å²	91.7	8%	0.084	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-40.1	179.8	-69.7	170.2	0	0	0	111.7	W279 N339 F340 K345 Q346 R347	W279-L343 HydrophobicContact CD2-CB 3.94Å; W279-L343 HydrophobicContact CD2-CD1 3.89Å; W279-L343 HydrophobicContact CD2-CG 4.44Å; W279-L343 HydrophobicContact CE3-CB 3.91Å; W279-L343 HydrophobicContact CE3-CD1 3.6Å; W279-L343 HydrophobicContact CE3-CG 4.39Å; W279-L343 HydrophobicContact CG-CD1 4.34Å; W279-L343 HydrophobicContact CH2-CB 3.61Å; W279-L343 HydrophobicContact CZ2-CB 3.64Å; W279-L343 HydrophobicContact CZ3-CB 3.74Å; W279-L343 HydrophobicContact CZ3-CD1 4.06Å; N339-L343 WeakPolarHBondContact O-CB 3.44Å; N339-L343 WeakPolarHBondContact O-CG 3.43Å; N339-L343 PolarHBondContact O-N 2.82Å; F340-L343 PolarHBondContact O-N 2.81Å; L343-K345 PolarHBondContact O-N 2.94Å; L343-Q346 WeakPolarHBondContact O-CB 3.43Å; L343-Q346 PolarHBondContact O-N 2.93Å; L343-R347 PolarHBondContact O-N 2.79Å
344	Y	82.3	Confident	77.9	Confident	129 Å²	129	89.6 Å²	89.6	51%	0.506	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-43.2	173.6	-172.3	-94.5	0	0	0	111.9	F340 H342 Q346 R347 K348	F340-Y344 VanDerWaalsContact O-CB 3.26Å; F340-Y344 WeakPolarHBondContact O-CB 3.41Å; F340-Y344 PolarHBondContact O-N 3.25Å; H342-Y344 VanDerWaalsContact C-N 3.34Å; H342-Y344 PolarHBondContact O-N 2.93Å; Y344-Q346 VanDerWaalsContact C-N 3.34Å; Y344-Q346 PolarHBondContact O-N 2.73Å; Y344-R347 PolarHBondContact O-N 3.18Å; Y344-K348 PolarHBondContact O-N 3.16Å
345	K	82.3	Confident	76.2	Confident	116 Å²	116	91.8 Å²	91.8	50%	0.504	39%	0.393	S	S	.	.	H	α-helix	trans	-63.6	-38.8	175.5	-168.2	177.4	-173.7	178.3	0	111.6	R341 H342 L343 K348 R349	R341-K345 WeakPolarHBondContact O-CB 3.16Å; R341-K345 PolarHBondContact O-N 3.23Å; H342-K345 WeakPolarHBondContact O-CB 3.25Å; H342-K345 PolarHBondContact O-N 3.07Å; H342-K345 VanDerWaalsContact O-N 3.16Å; L343-K345 PolarHBondContact O-N 2.94Å; K345-K348 PolarHBondContact O-N 3Å; K345-R349 WeakPolarHBondContact O-CB 3.3Å; K345-R349 VanDerWaalsContact O-CG 3.32Å; K345-R349 WeakPolarHBondContact O-CG 3.35Å; K345-R349 PolarHBondContact O-N 3.01Å
346	Q	79.2	Confident	74.6	Confident	63 Å²	63	101 Å²	101	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-48.5	174.3	-73.2	-170.2	-3.5	0	0	111.5	Y276 H342 L343 Y344 K348 R349 R350	Y276-Q346 HydrophobicContact CE1-CB 4.36Å; H342-Q346 PolarHBondContact CD2-NE2 2.9Å; H342-Q346 PolarHBondContact NE2-NE2 3.03Å; H342-Q346 WeakPolarHBondContact O-CG 3.34Å; H342-Q346 PolarHBondContact O-N 2.8Å; L343-Q346 WeakPolarHBondContact O-CB 3.43Å; L343-Q346 PolarHBondContact O-N 2.93Å; Y344-Q346 VanDerWaalsContact C-N 3.34Å; Y344-Q346 PolarHBondContact O-N 2.73Å; Q346-K348 PolarHBondContact O-N 3.4Å; Q346-R349 PolarHBondContact O-N 2.86Å; Q346-R350 PolarHBondContact O-N 2.92Å
347	R	81.5	Confident	73	Confident	77 Å²	77	108.2 Å²	108.2	29%	0.291	46%	0.456	S	S	.	.	H	α-helix	trans	-56.3	-51.9	176	-176.2	-179.2	-176.6	-160.6	2.2	111	Y276 I280 L343 Y344 R349 R350 F351	Y276-R347 WeakPolarHBondContact O-CD 3.33Å; I280-R347 VanDerWaalsContact CD1-NH1 3.26Å; L343-R347 PolarHBondContact O-N 2.79Å; Y344-R347 PolarHBondContact O-N 3.18Å; R347-R349 VanDerWaalsContact C-N 3.32Å; R347-R349 PolarHBondContact O-N 3.27Å; R347-R350 PolarHBondContact O-N 2.83Å; R347-F351 HydrophobicContact CG-CD2 3.73Å; R347-F351 HydrophobicContact CG-CE2 3.88Å; R347-F351 WeakPolarHBondContact O-CD2 3.46Å; R347-F351 PolarHBondContact O-N 2.81Å; R347-F351 VanDerWaalsContact O-N 3.09Å
348	K	81.1	Confident	71.3	Confident	128 Å²	128	106.8 Å²	106.8	56%	0.557	47%	0.467	S	S	*	.	H	α-helix	trans	-59.1	-41.9	-179.4	-169.5	173.3	-175.7	173.5	0	111.9	Y344 K345 Q346 R352	Y344-K348 PolarHBondContact O-N 3.16Å; K345-K348 PolarHBondContact O-N 3Å; Q346-K348 PolarHBondContact O-N 3.4Å; K348-R352 WeakPolarHBondContact O-CB 3.23Å; K348-R352 PolarHBondContact O-N 3Å
349	R	76.6	Confident	69.2	Low	157 Å²	157	112.1 Å²	112.1	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-61.9	-48.3	177	-77.1	174.9	172.5	-173.9	-5.5	111.7	K345 Q346 R347 R352 T353	K345-R349 WeakPolarHBondContact O-CB 3.3Å; K345-R349 VanDerWaalsContact O-CG 3.32Å; K345-R349 WeakPolarHBondContact O-CG 3.35Å; K345-R349 PolarHBondContact O-N 3.01Å; Q346-R349 PolarHBondContact O-N 2.86Å; R347-R349 VanDerWaalsContact C-N 3.32Å; R347-R349 PolarHBondContact O-N 3.27Å; R349-R352 PolarHBondContact O-N 3.22Å; R349-T353 PolarHBondContact O-N 3.15Å; R349-T353 VanDerWaalsContact O-N 3.13Å; R349-T353 PolarHBondContact O-OG1 3.03Å
350	R	72.6	Confident	68.6	Low	94 Å²	94	117.7 Å²	117.7	36%	0.355	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-45.4	-176.3	-166.3	70	176.6	173.7	5.4	112.4	E267 Y276 Q346 R347 K354	E267-R350 VanDerWaalsContact CD-NH2 3.32Å; E267-R350 IonicContact OE1-CZ 3.11Å; E267-R350 IonicContact OE1-NH2 3.42Å; E267-R350 PolarHBondContact OE1-NH2 3.49Å; E267-R350 IonicContact OE2-NH2 3.72Å; Y276-R350 HydrophobicContact CE2-CB 4.42Å; Y276-R350 HydrophobicContact CE2-CG 3.95Å; Q346-R350 PolarHBondContact O-N 2.92Å; R347-R350 PolarHBondContact O-N 2.83Å; R350-K354 PolarHBondContact O-N 3.07Å
351	F	71.8	Confident	67.8	Low	77 Å²	77	119.7 Å²	119.7	34%	0.338	52%	0.523	S	S	.	.	H	α-helix	trans	-76.2	-29.3	-179.8	-72.3	-73.9	0	0	0	113.3	R347 K354 K355	R347-F351 HydrophobicContact CG-CD2 3.73Å; R347-F351 HydrophobicContact CG-CE2 3.88Å; R347-F351 WeakPolarHBondContact O-CD2 3.46Å; R347-F351 PolarHBondContact O-N 2.81Å; R347-F351 VanDerWaalsContact O-N 3.09Å; F351-K354 PolarHBondContact O-N 3.02Å; F351-K355 PolarHBondContact O-N 2.93Å
352	R	66.8	Low	66.9	Low	172 Å²	172	115.1 Å²	115.1	65%	0.649	51%	0.509	S	S	*	.	H	α-helix	trans	-67.8	-39.4	173.4	-166	176	82.3	167	6.7	112.2	K348 R349 K355 R356	K348-R352 WeakPolarHBondContact O-CB 3.23Å; K348-R352 PolarHBondContact O-N 3Å; R349-R352 PolarHBondContact O-N 3.22Å; R352-K355 PolarHBondContact O-N 2.88Å; R352-R356 PolarHBondContact O-N 3.44Å
353	T	58.3	Low	66.1	Low	76 Å²	76	118.4 Å²	118.4	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-68.1	-34	177.4	-51.8	0	0	0	0	112.2	R349 R356 K357	R349-T353 PolarHBondContact O-N 3.15Å; R349-T353 VanDerWaalsContact O-N 3.13Å; R349-T353 PolarHBondContact O-OG1 3.03Å; T353-R356 PolarHBondContact O-N 3.19Å; T353-K357 PolarHBondContact O-N 3.47Å
354	K	54.8	Low	65.1	Low	83 Å²	83	124.8 Å²	124.8	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-64.7	-40.9	172.8	-85.2	-170.1	173.3	-177.5	0	112.5	E267 R350 F351 R356 K357 A358	E267-K354 IonicContact OE2-NZ 2.78Å; E267-K354 PolarHBondContact OE2-NZ 3.14Å; R350-K354 PolarHBondContact O-N 3.07Å; F351-K354 PolarHBondContact O-N 3.02Å; K354-R356 PolarHBondContact O-N 3.45Å; K354-K357 PolarHBondContact O-N 2.71Å; K354-A358 PolarHBondContact O-N 3.33Å
355	K	49.4	Very low	64	Low	152 Å²	152	124.5 Å²	124.5	66%	0.661	55%	0.553	S	S	*	*	H	α-helix	trans	-62.5	-31.6	177.4	-156.8	175.5	-176.2	-178.7	0	112.7	F351 R352 Q359	F351-K355 PolarHBondContact O-N 2.93Å; R352-K355 PolarHBondContact O-N 2.88Å; K355-Q359 PolarHBondContact O-N 3.09Å
356	R	47.3	Very low	62.7	Low	201 Å²	201	125.1 Å²	125.1	76%	0.758	56%	0.557	S	S	*	*	H	α-helix	trans	-83.5	-13.7	179.6	-127.6	-177	179.3	-170.4	-1.9	115.3	R352 T353 K354	R352-R356 PolarHBondContact O-N 3.44Å; T353-R356 PolarHBondContact O-N 3.19Å; K354-R356 PolarHBondContact O-N 3.45Å
357	K	49.7	Very low	61.4	Low	181 Å²	181	129.8 Å²	129.8	79%	0.787	58%	0.577	S	S	*	*	H	α-helix	trans	-98.6	-14.1	174.8	-74.3	-168.6	175.1	-167.8	0	112.8	T353 K354	T353-K357 PolarHBondContact O-N 3.47Å; K354-K357 PolarHBondContact O-N 2.71Å
358	A	48.9	Very low	59.7	Low	93 Å²	93	134.3 Å²	134.3	77%	0.769	60%	0.601	S	S	*	*			trans	-101.7	-10	178.2	0	0	0	0	0	112.7	K354	K354-A358 PolarHBondContact O-N 3.33Å
359	Q	39.7	Very low	57.8	Low	197 Å²	197	134.8 Å²	134.8	92%	0.921	61%	0.605	S	S	*	*			trans	-94.2	0	158.1	-70.2	-179.4	-48.4	0	0	107.2	K355	K355-Q359 PolarHBondContact O-N 3.09Å

Retrieved 359 of 359 residues in 241.9 ms (Link to these results)

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