SYF1_RAT Loading...

Pre-mRNA-splicing factor SYF1

Involved in pre-mRNA splicing as component of the spliceosome. Involved in transcription-coupled repair (TCR), transcription and pre-mRNA splicing.

AlphaFold DB , UniProt , Accession Q99PK0, Species RAT (Rattus norvegicus, Rat), Gene Xab2, Length 855 aa.

						>SYF1_RAT|Q99PK0|Xab2
MVVMARVPRPERPDLVFEEEDLPYEEEIMRNQFSVKCWLRYIEFKQGAPKPRLNQLYERALKLLPCSYKLWYRYLKARRAQVKHRCVTDPAYEDVNNCHERAFVFMHKMPRLWLDYCQFLMDQGRVTHTRRTFDRALRALPITQHSRIWPLYLRFLRSHPLPETAVRGYRRFLKLSPESAEEYIEYLKSSDRLDEAAQRLATVVNDERFVSKAGKSNYQLWHELCDLISQNPDKVQSLNVDAIIRGGLTRFTDQLGKLWCSLADYYIRSGHFEKARDVYEEAIRTVMTVRDFTQVFDSYAQFEESMIAAKMETASELGREEEDDVDLELRLARFEQLISRRPLLLNSVLLRQNPHHVHEWHKRVALHQGRPREIINTYTEAVQTVDPFKATGKPHTLWVAFAKFYEDNGQLDDARVILEKATKVNFKQVDDLASVWCQCGELELRHENYDEALKLLRKATALPARRAEYFDGSEPVQNRVYKSLKVWSMLADLEESLGTFQSTKAVYDRILDLRIATPQIVINYAMFLEEHKYFEESFKAYERGISLFKWPNVSDIWSTYLTKFISRYGGRKLERARDLFEQALDGCPPKYAKTLYLLYAQLEEEWGLARHAMAVYDRATRAVEPAQQYDMFNIYIKRAAEIYGVTHTRGIYQKAIEVLSDEHAREMCLRFADMECKLGEIDRARAIYSFCSQICDPRTTGAFWQTWKDFEVRHGNEDTIREMLRIRRSVQATYNTQVNFMASQMLKVSGSATGTVSDLAPGQSGMDDMKLLEQRAEQLAAEAERDQPPRAQSKIFFVRSDASREELAELAQQANPEEIQLGEDEDEDEMDLEPNEVRLEQQSVPAAVFGSLKED
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	33.9	Very low	233 Å²	233	165 Å²	165	100%	1.148	86%	0.862	S	S	*	*				0	113.4	0	-129.4	173.8	80.8	0	0	107.5
2	V	33.4	Very low	34	Very low	131 Å²	131	169.6 Å²	169.6	79%	0.794	86%	0.859	S	S	*	*			trans	66.7	114.5	156.1	-166	0	0	0	0	115.2
3	V	35.7	Very low	34.6	Very low	130 Å²	130	165.4 Å²	165.4	79%	0.788	85%	0.85	S	S	*	*			cis	-149.5	142.1	22.5	-179.1	0	0	0	0	110.3
4	M	32.3	Very low	34.9	Very low	190 Å²	190	164.8 Å²	164.8	94%	0.936	85%	0.85	S	S	*	*			trans	-75.8	128	165.9	-71.1	-166.1	173.9	0	0	112.5
5	A	39	Very low	36.1	Very low	93 Å²	93	160.4 Å²	160.4	77%	0.769	83%	0.827	S	S	*	*			trans	-164	112.9	146.3	0	0	0	0	0	111.5
6	R	31.4	Very low	37.3	Very low	247 Å²	247	157.8 Å²	157.8	93%	0.932	82%	0.821	S	S	*	*			trans	27.3	118.1	147.5	-63.3	176.9	177.7	178.3	-1.3	118.4
7	V	37.4	Very low	38.8	Very low	120 Å²	120	154.5 Å²	154.5	73%	0.727	80%	0.799	S	S	*	*				177.4	131.4	118.5	166.4	0	0	0	0	106.8	R9	V7-R9 PolarHBondContact O-N 2.97Å
8	P	31.6	Very low	40.4	Very low	129 Å²	129	149.7 Å²	149.7	84%	0.838	77%	0.772	S	S	*	*			trans	-68.6	128	-179.2	30.2	-33.2	0	0	0	109.2
9	R	32.5	Very low	42	Very low	228 Å²	228	151 Å²	151	86%	0.86	77%	0.774	S	S	*	*			trans	-120.4	135.6	169.5	-78	-172.3	177.5	-178.5	0.4	109.6	V7	V7-R9 PolarHBondContact O-N 2.97Å
10	P	32.4	Very low	43.6	Very low	120 Å²	120	150 Å²	150	78%	0.779	77%	0.766	S	S	*	*			trans	-71.5	151.2	-167.1	31.6	-35.4	0	0	0	111.4	R12	P10-R12 PolarHBondContact O-N 3.08Å
11	E	31	Very low	45.3	Very low	194 Å²	194	143.2 Å²	143.2	91%	0.907	73%	0.732	S	S	*	*			trans	-40.9	124.7	178.1	-64.8	165.1	167.2	0	0	112.6
12	R	35	Very low	47.2	Very low	220 Å²	220	136.8 Å²	136.8	83%	0.83	70%	0.701	S	S	*	*			trans	-84	132.5	168.3	-73.5	-179.9	175.4	178.3	-1.4	108	P10	P10-R12 PolarHBondContact O-N 3.08Å
13	P	41.9	Very low	49.4	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	69%	0.688	S	S	*	*			trans	-64	137.6	169.2	27.9	-32.4	0	0	0	109.5	L15	P13-L15 PolarHBondContact O-N 2.93Å
14	D	38.4	Very low	51.5	Low	157 Å²	157	131 Å²	131	84%	0.84	66%	0.662	S	S	*	*			trans	-51.9	107.2	-172.5	-60.6	-46.4	0	0	0	112.9	V16	D14-V16 PolarHBondContact O-N 2.86Å
15	L	53.4	Low	53.9	Low	99 Å²	99	123.3 Å²	123.3	52%	0.518	62%	0.623	S	S	.	*			trans	-87.4	93.4	169	-84.1	153.1	0	0	0	108	P13 F17	P13-L15 PolarHBondContact O-N 2.93Å; L15-F17 HydrophobicContact CB-CE2 3.86Å; L15-F17 HydrophobicContact CB-CZ 3.91Å; L15-F17 HydrophobicContact CD1-CZ 4.42Å; L15-F17 HydrophobicContact CD2-CZ 4.39Å; L15-F17 HydrophobicContact CG-CZ 4.48Å; L15-F17 WeakPolarHBondContact O-CD2 3.48Å; L15-F17 PolarHBondContact O-N 3.25Å
16	V	54.7	Low	55.8	Low	119 Å²	119	123.8 Å²	123.8	72%	0.721	61%	0.61	S	S	*	*			trans	-79	104.5	172.4	-174.2	0	0	0	0	108.3	D14	D14-V16 PolarHBondContact O-N 2.86Å
17	F	63.5	Low	58.2	Low	101 Å²	101	114.9 Å²	114.9	44%	0.443	58%	0.579	S	S	.	*			trans	-84	139.2	172.2	-60.3	-75.6	0	0	0	110	L15 E25	L15-F17 HydrophobicContact CB-CE2 3.86Å; L15-F17 HydrophobicContact CB-CZ 3.91Å; L15-F17 HydrophobicContact CD1-CZ 4.42Å; L15-F17 HydrophobicContact CD2-CZ 4.39Å; L15-F17 HydrophobicContact CG-CZ 4.48Å; L15-F17 WeakPolarHBondContact O-CD2 3.48Å; L15-F17 PolarHBondContact O-N 3.25Å; F17-E25 HydrophobicContact CD1-CG 4.38Å; F17-E25 HydrophobicContact CE1-CG 4.47Å; F17-E25 WeakPolarHBondContact CE1-OE1 3.05Å
18	E	67.7	Low	60.2	Low	69 Å²	69	109.5 Å²	109.5	32%	0.322	55%	0.546	S	S	.	.			trans	-82.8	151.4	169.7	-69.2	166	163.3	0	0	109.1	E20 D21 K45 R52	E18-E20 PolarHBondContact O-N 3.07Å; E18-E20 VanDerWaalsContact O-N 3.09Å; E18-D21 PolarHBondContact N-OD2 3.21Å; E18-D21 VanDerWaalsContact O-CB 3.29Å; E18-D21 WeakPolarHBondContact O-CB 3.31Å; E18-D21 PolarHBondContact O-N 2.96Å; E18-K45 IonicContact OE2-NZ 3.55Å; E18-K45 PolarHBondContact OE2-NZ 3.09Å; E18-R52 IonicContact OE1-CZ 3.38Å; E18-R52 IonicContact OE1-NH1 3.22Å; E18-R52 PolarHBondContact OE1-NH1 3.37Å; E18-R52 IonicContact OE1-NH2 2.82Å; E18-R52 PolarHBondContact OE1-NH2 3.38Å; E18-R52 IonicContact OE2-CZ 2.72Å; E18-R52 IonicContact OE2-NH1 3.11Å; E18-R52 PolarHBondContact OE2-NH1 3.38Å
19	E	69.8	Low	62.4	Low	174 Å²	174	109.6 Å²	109.6	81%	0.813	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.9	178.4	-75.1	-176.6	161.6	0	0	112.5	D21 L22	E19-D21 PolarHBondContact O-N 2.87Å; E19-L22 HydrophobicContact CB-CD1 4.44Å; E19-L22 WeakPolarHBondContact O-CD1 3.19Å; E19-L22 WeakPolarHBondContact O-CG 3.15Å; E19-L22 PolarHBondContact O-N 2.84Å
20	E	74.9	Confident	64.8	Low	131 Å²	131	107.4 Å²	107.4	61%	0.612	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-64.9	-17.9	175.4	-59.3	-178.7	176.5	0	0	114	E18 F44	E18-E20 PolarHBondContact O-N 3.07Å; E18-E20 VanDerWaalsContact O-N 3.09Å; E20-F44 HydrophobicContact CB-CZ 4.36Å
21	D	78.4	Confident	67.1	Low	8 Å²	8	106.1 Å²	106.1	4%	0.043	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-81.5	-22.6	179.7	-75.8	-52.7	0	0	0	113.9	E18 E19 P23 Y24 E25 Y41 K45	E18-D21 PolarHBondContact N-OD2 3.21Å; E18-D21 VanDerWaalsContact O-CB 3.29Å; E18-D21 WeakPolarHBondContact O-CB 3.31Å; E18-D21 PolarHBondContact O-N 2.96Å; E19-D21 PolarHBondContact O-N 2.87Å; D21-P23 VanDerWaalsContact C-CD 3.49Å; D21-Y24 PolarHBondContact O-N 2.95Å; D21-E25 HydrophobicContact CB-CG 4.35Å; D21-E25 WeakPolarHBondContact O-CG 3.44Å; D21-E25 PolarHBondContact O-N 2.94Å; D21-Y41 WeakPolarHBondContact OD1-CE2 3.32Å; D21-Y41 VanDerWaalsContact OD1-CZ 3.32Å; D21-Y41 PolarHBondContact OD1-OH 2.92Å; D21-K45 VanDerWaalsContact CG-NZ 3.27Å; D21-K45 WeakPolarHBondContact OD1-CE 3.32Å; D21-K45 IonicContact OD1-NZ 3.07Å; D21-K45 PolarHBondContact OD1-NZ 2.73Å; D21-K45 WeakPolarHBondContact OD2-CE 3.45Å; D21-K45 IonicContact OD2-NZ 3.23Å; D21-K45 PolarHBondContact OD2-NZ 3.37Å
22	L	77.1	Confident	69.4	Low	97 Å²	97	100.3 Å²	100.3	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-54.4	-44.8	-170.4	-68.2	166.6	0	0	0	114	E19 Y24 E25 E26	E19-L22 HydrophobicContact CB-CD1 4.44Å; E19-L22 WeakPolarHBondContact O-CD1 3.19Å; E19-L22 WeakPolarHBondContact O-CG 3.15Å; E19-L22 PolarHBondContact O-N 2.84Å; L22-Y24 VanDerWaalsContact C-N 3.33Å; L22-Y24 PolarHBondContact O-N 3.3Å; L22-E25 PolarHBondContact O-N 3.17Å; L22-E26 WeakPolarHBondContact O-CG 3.46Å; L22-E26 PolarHBondContact O-N 3.38Å
23	P	79.9	Confident	71.6	Confident	78 Å²	78	96.8 Å²	96.8	51%	0.506	48%	0.479	S	S	.	.	H	α-helix	trans	-62.9	-38.9	-178.6	-23	34.8	0	0	0	113.2	D21 E27	D21-P23 VanDerWaalsContact C-CD 3.49Å; P23-E27 WeakPolarHBondContact O-CG 3.41Å; P23-E27 PolarHBondContact O-N 2.86Å
24	Y	79.8	Confident	73.7	Confident	63 Å²	63	93.1 Å²	93.1	25%	0.247	46%	0.456	C	S	.	.	H	α-helix	trans	-76.2	-35.8	179.6	-62.3	-78.1	0	0	0	111.7	D21 L22 E26 E27 I28 Y41 F44	D21-Y24 PolarHBondContact O-N 2.95Å; L22-Y24 VanDerWaalsContact C-N 3.33Å; L22-Y24 PolarHBondContact O-N 3.3Å; Y24-E26 VanDerWaalsContact C-N 3.34Å; Y24-E27 PolarHBondContact O-N 3.31Å; Y24-I28 WeakPolarHBondContact O-CB 3.48Å; Y24-I28 WeakPolarHBondContact O-CD1 3.18Å; Y24-I28 VanDerWaalsContact O-CG1 3.25Å; Y24-I28 WeakPolarHBondContact O-CG1 3.4Å; Y24-I28 PolarHBondContact O-N 2.78Å; Y24-Y41 HydrophobicContact CD1-CD2 4.13Å; Y24-Y41 HydrophobicContact CD1-CG 4.49Å; Y24-Y41 AromaticContact CD2-CD2 3.9Å; Y24-Y41 HydrophobicContact CD2-CD2 3.9Å; Y24-Y41 HydrophobicContact CD2-CE2 4.21Å; Y24-Y41 AromaticContact CG-CD2 3.51Å; Y24-Y41 HydrophobicContact CG-CD2 3.51Å; Y24-Y41 HydrophobicContact CG-CE2 4.15Å; Y24-Y41 HydrophobicContact CG-CG 4.13Å; Y24-F44 AromaticContact CD2-CD1 3.71Å; Y24-F44 HydrophobicContact CD2-CD1 3.71Å; Y24-F44 HydrophobicContact CD2-CE1 4.05Å; Y24-F44 HydrophobicContact CD2-CG 4.16Å; Y24-F44 HydrophobicContact CE1-CB 4.16Å; Y24-F44 HydrophobicContact CE1-CG 4.47Å; Y24-F44 HydrophobicContact CE2-CB 3.93Å; Y24-F44 AromaticContact CE2-CD1 3.32Å; Y24-F44 HydrophobicContact CE2-CD1 3.32Å; Y24-F44 AromaticContact CE2-CD2 3.75Å; Y24-F44 HydrophobicContact CE2-CD2 3.75Å; Y24-F44 AromaticContact CE2-CE1 3.66Å; Y24-F44 HydrophobicContact CE2-CE1 3.66Å; Y24-F44 HydrophobicContact CE2-CE2 4.06Å; Y24-F44 AromaticContact CE2-CG 3.37Å; Y24-F44 HydrophobicContact CE2-CG 3.37Å; Y24-F44 HydrophobicContact CE2-CZ 4.02Å; Y24-F44 AromaticContact CZ-CD1 4Å; Y24-F44 AromaticContact CZ-CD2 3.84Å; Y24-F44 AromaticContact CZ-CG 3.56Å; Y24-F44 WeakPolarHBondContact OH-CD2 3.15Å
25	E	81.8	Confident	76	Confident	28 Å²	28	87.5 Å²	87.5	13%	0.131	43%	0.427	C	S	.	.	H	α-helix	trans	-62.4	-41.2	172.1	-69.4	-62.5	164.1	0	0	111.5	F17 D21 L22 I28 M29 Y41 R59	F17-E25 HydrophobicContact CD1-CG 4.38Å; F17-E25 HydrophobicContact CE1-CG 4.47Å; F17-E25 WeakPolarHBondContact CE1-OE1 3.05Å; D21-E25 HydrophobicContact CB-CG 4.35Å; D21-E25 WeakPolarHBondContact O-CG 3.44Å; D21-E25 PolarHBondContact O-N 2.94Å; L22-E25 PolarHBondContact O-N 3.17Å; E25-I28 PolarHBondContact O-N 2.97Å; E25-M29 WeakPolarHBondContact O-CB 3.47Å; E25-M29 WeakPolarHBondContact O-CG 3.21Å; E25-M29 PolarHBondContact O-N 2.96Å; E25-Y41 WeakPolarHBondContact OE1-CE1 3.25Å; E25-Y41 PolarHBondContact OE1-OH 3.41Å; E25-R59 IonicContact OE1-CZ 2.66Å; E25-R59 IonicContact OE1-NH1 3.06Å; E25-R59 PolarHBondContact OE1-NH1 3.25Å; E25-R59 IonicContact OE1-NH2 3.52Å; E25-R59 PolarHBondContact OE1-NH2 3.11Å; E25-R59 IonicContact OE2-CZ 3.12Å; E25-R59 IonicContact OE2-NH1 2.74Å; E25-R59 PolarHBondContact OE2-NH1 3.5Å; E25-R59 IonicContact OE2-NH2 2.71Å; E25-R59 PolarHBondContact OE2-NH2 3.4Å
26	E	79.7	Confident	77.6	Confident	103 Å²	103	90.4 Å²	90.4	48%	0.481	44%	0.436	S	S	.	.	H	α-helix	trans	-63.6	-43.6	173	-75.4	-172.1	-164.1	0	0	112.5	L22 Y24 I28 M29 R30	L22-E26 WeakPolarHBondContact O-CG 3.46Å; L22-E26 PolarHBondContact O-N 3.38Å; Y24-E26 VanDerWaalsContact C-N 3.34Å; E26-I28 VanDerWaalsContact C-N 3.28Å; E26-I28 PolarHBondContact O-N 2.89Å; E26-M29 PolarHBondContact O-N 2.69Å; E26-R30 VanDerWaalsContact O-CG 3.27Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 3.17Å; E26-R30 IonicContact OE2-NH2 3.11Å; E26-R30 PolarHBondContact OE2-NH2 3.19Å; E26-R30 VanDerWaalsContact OE2-NH2 3.11Å
27	E	80.6	Confident	79.1	Confident	60 Å²	60	85 Å²	85	28%	0.28	40%	0.403	S	S	.	.	H	α-helix	trans	-60.1	-40.3	175.1	-77.5	-164.3	162.5	0	0	111.9	P23 Y24 R30 N31 R40	P23-E27 WeakPolarHBondContact O-CG 3.41Å; P23-E27 PolarHBondContact O-N 2.86Å; Y24-E27 PolarHBondContact O-N 3.31Å; E27-R30 PolarHBondContact O-N 3.41Å; E27-N31 PolarHBondContact O-N 3.49Å; E27-R40 IonicContact OE1-NH1 3.02Å; E27-R40 PolarHBondContact OE1-NH1 3.31Å; E27-R40 IonicContact OE2-CZ 3.21Å; E27-R40 IonicContact OE2-NH1 3.85Å; E27-R40 PolarHBondContact OE2-NH1 3.29Å
28	I	81.3	Confident	80.2	Confident	7 Å²	7	80.3 Å²	80.3	4%	0.036	38%	0.383	C	S	.	.	H	α-helix	trans	-69.2	-40.8	177.8	-74.9	164.3	0	0	0	110.9	Y24 E25 E26 R30 N31 Q32 W38 Y41	Y24-I28 WeakPolarHBondContact O-CB 3.48Å; Y24-I28 WeakPolarHBondContact O-CD1 3.18Å; Y24-I28 VanDerWaalsContact O-CG1 3.25Å; Y24-I28 WeakPolarHBondContact O-CG1 3.4Å; Y24-I28 PolarHBondContact O-N 2.78Å; E25-I28 PolarHBondContact O-N 2.97Å; E26-I28 VanDerWaalsContact C-N 3.28Å; E26-I28 PolarHBondContact O-N 2.89Å; I28-R30 VanDerWaalsContact C-N 3.3Å; I28-R30 PolarHBondContact O-N 3.02Å; I28-N31 CarbonylContact O-C 3.23Å; I28-N31 VanDerWaalsContact O-C 3.23Å; I28-N31 PolarHBondContact O-N 3.18Å; I28-Q32 WeakPolarHBondContact O-CA 3.26Å; I28-Q32 WeakPolarHBondContact O-CG 3.18Å; I28-Q32 PolarHBondContact O-N 3.31Å; I28-W38 HydrophobicContact CB-CZ2 4.42Å; I28-W38 HydrophobicContact CD1-CD2 4.28Å; I28-W38 HydrophobicContact CD1-CE3 3.78Å; I28-W38 HydrophobicContact CD1-CH2 3.97Å; I28-W38 HydrophobicContact CD1-CZ2 4.41Å; I28-W38 HydrophobicContact CD1-CZ3 3.64Å; I28-W38 HydrophobicContact CG1-CD2 4.39Å; I28-W38 HydrophobicContact CG1-CE3 4.38Å; I28-W38 HydrophobicContact CG1-CH2 4.34Å; I28-W38 HydrophobicContact CG1-CZ2 4.31Å; I28-W38 HydrophobicContact CG1-CZ3 4.37Å; I28-W38 HydrophobicContact CG2-CH2 3.43Å; I28-W38 VanDerWaalsContact CG2-CH2 3.43Å; I28-W38 HydrophobicContact CG2-CZ2 3.3Å; I28-W38 HydrophobicContact CG2-CZ3 4.24Å; I28-Y41 HydrophobicContact CD1-CD1 3.26Å; I28-Y41 HydrophobicContact CD1-CE1 4.03Å; I28-Y41 HydrophobicContact CD1-CG 3.97Å
29	M	77.7	Confident	81.1	Confident	131 Å²	131	78 Å²	78	65%	0.645	37%	0.373	S	S	*	.	H	α-helix	trans	-63.6	-38.1	175.7	-73.7	-65.9	-76.3	0	0	111.6	E25 E26	E25-M29 WeakPolarHBondContact O-CB 3.47Å; E25-M29 WeakPolarHBondContact O-CG 3.21Å; E25-M29 PolarHBondContact O-N 2.96Å; E26-M29 PolarHBondContact O-N 2.69Å
30	R	81.7	Confident	81.9	Confident	181 Å²	181	75.4 Å²	75.4	68%	0.683	36%	0.355	S	S	*	.	H	α-helix	trans	-67.1	-40.9	173.4	-69.1	172.5	-163.8	-176.6	10	112	E26 E27 I28	E26-R30 VanDerWaalsContact O-CG 3.27Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 3.17Å; E26-R30 IonicContact OE2-NH2 3.11Å; E26-R30 PolarHBondContact OE2-NH2 3.19Å; E26-R30 VanDerWaalsContact OE2-NH2 3.11Å; E27-R30 PolarHBondContact O-N 3.41Å; I28-R30 VanDerWaalsContact C-N 3.3Å; I28-R30 PolarHBondContact O-N 3.02Å
31	N	81.2	Confident	82.4	Confident	94 Å²	94	69.8 Å²	69.8	50%	0.503	33%	0.328	S	S	.	.			trans	-134.9	65.8	-171.4	-71.9	-44.1	0	0	0	113.2	E27 I28 F33 S34	E27-N31 PolarHBondContact O-N 3.49Å; I28-N31 CarbonylContact O-C 3.23Å; I28-N31 VanDerWaalsContact O-C 3.23Å; I28-N31 PolarHBondContact O-N 3.18Å; N31-F33 PolarHBondContact O-N 2.59Å; N31-F33 VanDerWaalsContact O-N 3.14Å; N31-S34 PolarHBondContact O-N 2.98Å; N31-S34 VanDerWaalsContact O-N 3.13Å
32	Q	79	Confident	82.8	Confident	72 Å²	72	69.4 Å²	69.4	34%	0.336	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.9	-173.8	-64.2	179.5	4.9	0	0	114.2	I28 W38 L63	I28-Q32 WeakPolarHBondContact O-CA 3.26Å; I28-Q32 WeakPolarHBondContact O-CG 3.18Å; I28-Q32 PolarHBondContact O-N 3.31Å; Q32-W38 PolarHBondContact O-NE1 3.02Å; Q32-L63 HydrophobicContact CB-CD1 4.44Å
33	F	82.2	Confident	83.2	Confident	145 Å²	145	69 Å²	69	64%	0.636	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.8	-177.5	-55.7	-70.7	0	0	0	114.1	N31 V35 L64	N31-F33 PolarHBondContact O-N 2.59Å; N31-F33 VanDerWaalsContact O-N 3.14Å; F33-V35 PolarHBondContact O-N 2.67Å; F33-L64 HydrophobicContact CB-CD2 4.2Å; F33-L64 HydrophobicContact CD1-CD2 4.29Å; F33-L64 WeakPolarHBondContact O-CD1 3.38Å; F33-L64 WeakPolarHBondContact O-CD2 3.19Å
34	S	85.9	Confident	83.5	Confident	39 Å²	39	69.2 Å²	69.2	27%	0.273	32%	0.315	S	S	.	.			trans	-84.2	109.7	-179.8	179.2	0	0	0	0	111.3	N31 K36 C37 W38	N31-S34 PolarHBondContact O-N 2.98Å; N31-S34 VanDerWaalsContact O-N 3.13Å; S34-K36 PolarHBondContact O-N 3.27Å; S34-K36 VanDerWaalsContact O-N 3.13Å; S34-K36 PolarHBondContact OG-N 3.03Å; S34-C37 PolarHBondContact O-N 2.87Å; S34-C37 VanDerWaalsContact O-N 3.14Å; S34-W38 VanDerWaalsContact O-CD1 3.24Å; S34-W38 PolarHBondContact O-N 2.93Å
35	V	85.2	Confident	83.6	Confident	39 Å²	39	66.9 Å²	66.9	24%	0.236	31%	0.306	C	S	.	.	H	α-helix	trans	-54.2	-33.3	173	178.8	0	0	0	0	111.5	F33 W38 L39 L64 L70	F33-V35 PolarHBondContact O-N 2.67Å; V35-W38 PolarHBondContact O-N 2.71Å; V35-L39 HydrophobicContact CG1-CD1 3.81Å; V35-L39 HydrophobicContact CG1-CG 4.02Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 VanDerWaalsContact O-CG 3.23Å; V35-L39 WeakPolarHBondContact O-CG 3.2Å; V35-L39 PolarHBondContact O-N 2.85Å; V35-L64 HydrophobicContact CG2-CD1 3.83Å; V35-L70 HydrophobicContact CG1-CD1 4.22Å; V35-L70 HydrophobicContact CG1-CD2 4.31Å; V35-L70 HydrophobicContact CG1-CG 3.98Å; V35-L70 HydrophobicContact CG2-CD1 4.34Å
36	K	87.2	Confident	83.5	Confident	160 Å²	160	71.5 Å²	71.5	70%	0.696	33%	0.328	S	S	*	.	H	α-helix	trans	-66.2	-40.2	-179.4	-67.9	-177.4	179.9	178.9	0	112.5	S34 L39 R40	S34-K36 PolarHBondContact O-N 3.27Å; S34-K36 VanDerWaalsContact O-N 3.13Å; S34-K36 PolarHBondContact OG-N 3.03Å; K36-L39 PolarHBondContact O-N 3.13Å; K36-R40 PolarHBondContact O-N 3.23Å
37	C	86.3	Confident	83.4	Confident	6 Å²	6	70.4 Å²	70.4	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-66.1	-45.2	178.6	-64.5	0	0	0	0	110.2	S34 L39 R40 Y41	S34-C37 PolarHBondContact O-N 2.87Å; S34-C37 VanDerWaalsContact O-N 3.14Å; C37-L39 PolarHBondContact O-N 2.93Å; C37-R40 PolarHBondContact O-N 2.93Å; C37-Y41 PolarHBondContact O-N 2.73Å
38	W	87.1	Confident	83.2	Confident	1 Å²	1	68.5 Å²	68.5	0%	0.004	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-45.6	173.5	-71.2	106.7	0	0	0	113	I28 Q32 S34 V35 R40 Y41 I42 L56 R59 A60 L63 L70	I28-W38 HydrophobicContact CB-CZ2 4.42Å; I28-W38 HydrophobicContact CD1-CD2 4.28Å; I28-W38 HydrophobicContact CD1-CE3 3.78Å; I28-W38 HydrophobicContact CD1-CH2 3.97Å; I28-W38 HydrophobicContact CD1-CZ2 4.41Å; I28-W38 HydrophobicContact CD1-CZ3 3.64Å; I28-W38 HydrophobicContact CG1-CD2 4.39Å; I28-W38 HydrophobicContact CG1-CE3 4.38Å; I28-W38 HydrophobicContact CG1-CH2 4.34Å; I28-W38 HydrophobicContact CG1-CZ2 4.31Å; I28-W38 HydrophobicContact CG1-CZ3 4.37Å; I28-W38 HydrophobicContact CG2-CH2 3.43Å; I28-W38 VanDerWaalsContact CG2-CH2 3.43Å; I28-W38 HydrophobicContact CG2-CZ2 3.3Å; I28-W38 HydrophobicContact CG2-CZ3 4.24Å; Q32-W38 PolarHBondContact O-NE1 3.02Å; S34-W38 VanDerWaalsContact O-CD1 3.24Å; S34-W38 PolarHBondContact O-N 2.93Å; V35-W38 PolarHBondContact O-N 2.71Å; W38-R40 VanDerWaalsContact C-N 3.35Å; W38-R40 PolarHBondContact O-N 3.38Å; W38-Y41 PolarHBondContact O-N 3.1Å; W38-I42 WeakPolarHBondContact O-CB 3.34Å; W38-I42 VanDerWaalsContact O-CD1 3.31Å; W38-I42 WeakPolarHBondContact O-CD1 3.47Å; W38-I42 WeakPolarHBondContact O-CG1 3.23Å; W38-I42 PolarHBondContact O-N 3.17Å; W38-L56 HydrophobicContact CE3-CD1 3.79Å; W38-L56 HydrophobicContact CZ3-CD1 3.59Å; W38-R59 HydrophobicContact CH2-CB 4.22Å; W38-R59 HydrophobicContact CH2-CG 3.81Å; W38-R59 VanDerWaalsContact CH2-NE 3.29Å; W38-R59 HydrophobicContact CZ3-CB 4.17Å; W38-R59 HydrophobicContact CZ3-CG 4.23Å; W38-A60 HydrophobicContact CB-CB 4.11Å; W38-A60 HydrophobicContact CD2-CB 3.52Å; W38-A60 HydrophobicContact CE3-CB 3.48Å; W38-A60 VanDerWaalsContact CE3-CB 3.48Å; W38-A60 HydrophobicContact CG-CB 3.8Å; W38-A60 HydrophobicContact CZ3-CB 4.16Å; W38-L63 HydrophobicContact CH2-CD1 4.06Å; W38-L63 HydrophobicContact CZ2-CD1 3.32Å; W38-L70 HydrophobicContact CB-CD2 4.29Å
39	L	87.3	Confident	83.1	Confident	22 Å²	22	71.7 Å²	71.7	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-39.8	179.2	-72.9	178.5	0	0	0	112.2	V35 K36 C37 I42 E43 L70	V35-L39 HydrophobicContact CG1-CD1 3.81Å; V35-L39 HydrophobicContact CG1-CG 4.02Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 VanDerWaalsContact O-CG 3.23Å; V35-L39 WeakPolarHBondContact O-CG 3.2Å; V35-L39 PolarHBondContact O-N 2.85Å; K36-L39 PolarHBondContact O-N 3.13Å; C37-L39 PolarHBondContact O-N 2.93Å; L39-I42 PolarHBondContact O-N 3.04Å; L39-E43 WeakPolarHBondContact O-CB 3.46Å; L39-E43 VanDerWaalsContact O-CG 3.25Å; L39-E43 WeakPolarHBondContact O-CG 3.28Å; L39-E43 PolarHBondContact O-N 2.89Å; L39-L70 HydrophobicContact CD2-CD2 3.61Å; L39-L70 HydrophobicContact CG-CD2 4.06Å
40	R	85.7	Confident	83.4	Confident	118 Å²	118	70.8 Å²	70.8	45%	0.445	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-44.9	174.1	-84.8	-169.3	-91.7	154.8	-8.3	111.9	E27 K36 C37 W38 I42 E43 F44	E27-R40 IonicContact OE1-NH1 3.02Å; E27-R40 PolarHBondContact OE1-NH1 3.31Å; E27-R40 IonicContact OE2-CZ 3.21Å; E27-R40 IonicContact OE2-NH1 3.85Å; E27-R40 PolarHBondContact OE2-NH1 3.29Å; K36-R40 PolarHBondContact O-N 3.23Å; C37-R40 PolarHBondContact O-N 2.93Å; W38-R40 VanDerWaalsContact C-N 3.35Å; W38-R40 PolarHBondContact O-N 3.38Å; R40-I42 VanDerWaalsContact C-N 3.34Å; R40-I42 PolarHBondContact O-N 2.97Å; R40-E43 PolarHBondContact O-N 3.19Å; R40-F44 PolarHBondContact O-N 2.97Å
41	Y	86	Confident	83.4	Confident	13 Å²	13	66 Å²	66	5%	0.051	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-39.5	178.3	-172.9	-153.4	0	0	0	112.2	D21 Y24 E25 I28 C37 W38 E43 F44 K45 L56	D21-Y41 WeakPolarHBondContact OD1-CE2 3.32Å; D21-Y41 VanDerWaalsContact OD1-CZ 3.32Å; D21-Y41 PolarHBondContact OD1-OH 2.92Å; Y24-Y41 HydrophobicContact CD1-CD2 4.13Å; Y24-Y41 HydrophobicContact CD1-CG 4.49Å; Y24-Y41 AromaticContact CD2-CD2 3.9Å; Y24-Y41 HydrophobicContact CD2-CD2 3.9Å; Y24-Y41 HydrophobicContact CD2-CE2 4.21Å; Y24-Y41 AromaticContact CG-CD2 3.51Å; Y24-Y41 HydrophobicContact CG-CD2 3.51Å; Y24-Y41 HydrophobicContact CG-CE2 4.15Å; Y24-Y41 HydrophobicContact CG-CG 4.13Å; E25-Y41 WeakPolarHBondContact OE1-CE1 3.25Å; E25-Y41 PolarHBondContact OE1-OH 3.41Å; I28-Y41 HydrophobicContact CD1-CD1 3.26Å; I28-Y41 HydrophobicContact CD1-CE1 4.03Å; I28-Y41 HydrophobicContact CD1-CG 3.97Å; C37-Y41 PolarHBondContact O-N 2.73Å; W38-Y41 PolarHBondContact O-N 3.1Å; Y41-E43 VanDerWaalsContact C-N 3.35Å; Y41-F44 HydrophobicContact CD2-CD1 4.33Å; Y41-F44 HydrophobicContact CE2-CD1 4.35Å; Y41-F44 PolarHBondContact O-N 3.01Å; Y41-K45 HydrophobicContact CD2-CG 4.3Å; Y41-K45 HydrophobicContact CE2-CG 3.81Å; Y41-K45 PolarHBondContact O-N 2.96Å; Y41-L56 HydrophobicContact CD1-CD1 3.16Å; Y41-L56 HydrophobicContact CD1-CD2 3.59Å; Y41-L56 HydrophobicContact CD1-CG 4.01Å; Y41-L56 HydrophobicContact CD2-CD2 4.23Å; Y41-L56 HydrophobicContact CE1-CD1 3.34Å; Y41-L56 HydrophobicContact CE1-CD2 3.84Å; Y41-L56 HydrophobicContact CE1-CG 4.19Å; Y41-L56 HydrophobicContact CE2-CD2 4.46Å; Y41-L56 HydrophobicContact CG-CD1 4.13Å; Y41-L56 HydrophobicContact CG-CD2 3.78Å
42	I	85.8	Confident	83.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-40.9	174.8	-72.1	161.4	0	0	0	111.3	W38 L39 R40 K45 Q46 L56 Y57 L70	W38-I42 WeakPolarHBondContact O-CB 3.34Å; W38-I42 VanDerWaalsContact O-CD1 3.31Å; W38-I42 WeakPolarHBondContact O-CD1 3.47Å; W38-I42 WeakPolarHBondContact O-CG1 3.23Å; W38-I42 PolarHBondContact O-N 3.17Å; L39-I42 PolarHBondContact O-N 3.04Å; R40-I42 VanDerWaalsContact C-N 3.34Å; R40-I42 PolarHBondContact O-N 2.97Å; I42-K45 PolarHBondContact O-N 3.34Å; I42-Q46 WeakPolarHBondContact O-CG 3.36Å; I42-Q46 PolarHBondContact O-N 2.91Å; I42-L56 HydrophobicContact CB-CD2 4.31Å; I42-L56 HydrophobicContact CG1-CD2 3.67Å; I42-L56 HydrophobicContact CG1-CG 3.74Å; I42-Y57 HydrophobicContact CD1-CD1 3.64Å; I42-Y57 HydrophobicContact CD1-CE1 3.58Å; I42-Y57 HydrophobicContact CD1-CG 4.25Å; I42-Y57 HydrophobicContact CG1-CD1 4.44Å; I42-Y57 HydrophobicContact CG1-CE1 4.34Å; I42-Y57 HydrophobicContact CG2-CE1 3.98Å; I42-Y57 HydrophobicContact CG2-CE2 3.7Å; I42-Y57 VanDerWaalsContact CG2-OH 3.22Å; I42-Y57 WeakPolarHBondContact CG2-OH 3.46Å; I42-L70 HydrophobicContact CD1-CD2 4.01Å
43	E	86.5	Confident	83.8	Confident	88 Å²	88	63 Å²	63	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-42.1	176.5	-78.9	166.8	-172	0	0	111.5	L39 R40 Y41 Q46 R73	L39-E43 WeakPolarHBondContact O-CB 3.46Å; L39-E43 VanDerWaalsContact O-CG 3.25Å; L39-E43 WeakPolarHBondContact O-CG 3.28Å; L39-E43 PolarHBondContact O-N 2.89Å; R40-E43 PolarHBondContact O-N 3.19Å; Y41-E43 VanDerWaalsContact C-N 3.35Å; E43-Q46 WeakPolarHBondContact O-CG 3.41Å; E43-Q46 PolarHBondContact O-N 3.44Å; E43-R73 IonicContact OE1-CZ 3.34Å; E43-R73 IonicContact OE1-NH1 3.64Å; E43-R73 PolarHBondContact OE1-NH1 2.86Å; E43-R73 IonicContact OE1-NH2 3.89Å
44	F	85.4	Confident	84	Confident	83 Å²	83	57 Å²	57	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-46.3	173.6	176.3	-109.8	0	0	0	112.5	E20 Y24 R40 Y41 Q46	E20-F44 HydrophobicContact CB-CZ 4.36Å; Y24-F44 AromaticContact CD2-CD1 3.71Å; Y24-F44 HydrophobicContact CD2-CD1 3.71Å; Y24-F44 HydrophobicContact CD2-CE1 4.05Å; Y24-F44 HydrophobicContact CD2-CG 4.16Å; Y24-F44 HydrophobicContact CE1-CB 4.16Å; Y24-F44 HydrophobicContact CE1-CG 4.47Å; Y24-F44 HydrophobicContact CE2-CB 3.93Å; Y24-F44 AromaticContact CE2-CD1 3.32Å; Y24-F44 HydrophobicContact CE2-CD1 3.32Å; Y24-F44 AromaticContact CE2-CD2 3.75Å; Y24-F44 HydrophobicContact CE2-CD2 3.75Å; Y24-F44 AromaticContact CE2-CE1 3.66Å; Y24-F44 HydrophobicContact CE2-CE1 3.66Å; Y24-F44 HydrophobicContact CE2-CE2 4.06Å; Y24-F44 AromaticContact CE2-CG 3.37Å; Y24-F44 HydrophobicContact CE2-CG 3.37Å; Y24-F44 HydrophobicContact CE2-CZ 4.02Å; Y24-F44 AromaticContact CZ-CD1 4Å; Y24-F44 AromaticContact CZ-CD2 3.84Å; Y24-F44 AromaticContact CZ-CG 3.56Å; Y24-F44 WeakPolarHBondContact OH-CD2 3.15Å; R40-F44 PolarHBondContact O-N 2.97Å; Y41-F44 HydrophobicContact CD2-CD1 4.33Å; Y41-F44 HydrophobicContact CE2-CD1 4.35Å; Y41-F44 PolarHBondContact O-N 3.01Å; F44-Q46 VanDerWaalsContact C-N 3.27Å; F44-Q46 PolarHBondContact O-N 2.78Å
45	K	82.2	Confident	84	Confident	14 Å²	14	60.4 Å²	60.4	6%	0.061	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-82.8	14.1	-179.8	-74.5	-68.6	-172.1	-174.9	0	114.8	E18 D21 Y41 I42 G47 A48 L56	E18-K45 IonicContact OE2-NZ 3.55Å; E18-K45 PolarHBondContact OE2-NZ 3.09Å; D21-K45 VanDerWaalsContact CG-NZ 3.27Å; D21-K45 WeakPolarHBondContact OD1-CE 3.32Å; D21-K45 IonicContact OD1-NZ 3.07Å; D21-K45 PolarHBondContact OD1-NZ 2.73Å; D21-K45 WeakPolarHBondContact OD2-CE 3.45Å; D21-K45 IonicContact OD2-NZ 3.23Å; D21-K45 PolarHBondContact OD2-NZ 3.37Å; Y41-K45 HydrophobicContact CD2-CG 4.3Å; Y41-K45 HydrophobicContact CE2-CG 3.81Å; Y41-K45 PolarHBondContact O-N 2.96Å; I42-K45 PolarHBondContact O-N 3.34Å; K45-G47 PolarHBondContact O-N 3.37Å; K45-A48 HydrophobicContact CB-CB 4.12Å; K45-A48 HydrophobicContact CD-CB 3.7Å; K45-A48 HydrophobicContact CG-CB 4.48Å; K45-A48 VanDerWaalsContact O-CB 3.27Å; K45-A48 WeakPolarHBondContact O-CB 2.95Å; K45-A48 PolarHBondContact O-N 3.01Å; K45-L56 HydrophobicContact CB-CD2 4.22Å; K45-L56 HydrophobicContact CG-CD2 4.47Å
46	Q	79.2	Confident	84.1	Confident	125 Å²	125	59 Å²	59	58%	0.584	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.6	-30.7	177	-77	-175.4	15.5	0	0	113.5	I42 E43 F44	I42-Q46 WeakPolarHBondContact O-CG 3.36Å; I42-Q46 PolarHBondContact O-N 2.91Å; E43-Q46 WeakPolarHBondContact O-CG 3.41Å; E43-Q46 PolarHBondContact O-N 3.44Å; F44-Q46 VanDerWaalsContact C-N 3.27Å; F44-Q46 PolarHBondContact O-N 2.78Å
47	G	77.5	Confident	84.1	Confident	81 Å²	81	52 Å²	52	84%	0.835	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-82.3	-10.6	176.3	0	0	0	0	0	115	K45	K45-G47 PolarHBondContact O-N 3.37Å
48	A	75.9	Confident	84.2	Confident	20 Å²	20	53.5 Å²	53.5	17%	0.165	28%	0.277	C	S	.	.	S	Bend	trans	-70	158.6	-177	0	0	0	0	0	111.8	K45 K50	K45-A48 HydrophobicContact CB-CB 4.12Å; K45-A48 HydrophobicContact CD-CB 3.7Å; K45-A48 HydrophobicContact CG-CB 4.48Å; K45-A48 VanDerWaalsContact O-CB 3.27Å; K45-A48 WeakPolarHBondContact O-CB 2.95Å; K45-A48 PolarHBondContact O-N 3.01Å; A48-K50 PolarHBondContact O-N 3.38Å; A48-K50 VanDerWaalsContact O-N 3.17Å
49	P	80.5	Confident	84.2	Confident	73 Å²	73	56.4 Å²	56.4	47%	0.474	29%	0.288	S	S	.	.			trans	-52.2	128	172.9	19.6	-31.8	0	0	0	110.4	P51 R52	P49-P51 VanDerWaalsContact C-N 3.27Å; P49-P51 HydrophobicContact CB-CG 4.3Å; P49-P51 WeakPolarHBondContact O-CD 3.29Å; P49-R52 HydrophobicContact CG-CG 4.18Å; P49-R52 WeakPolarHBondContact O-CB 3Å; P49-R52 PolarHBondContact O-N 2.98Å
50	K	82.8	Confident	84.2	Confident	113 Å²	113	55.3 Å²	55.3	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-36.9	-43.9	-179	-66.4	170.6	175.7	178.1	0	115.2	A48 R52 L53 N54 Q81	A48-K50 PolarHBondContact O-N 3.38Å; A48-K50 VanDerWaalsContact O-N 3.17Å; K50-R52 PolarHBondContact O-N 3.24Å; K50-L53 PolarHBondContact O-N 3.02Å; K50-N54 PolarHBondContact O-N 3.23Å; K50-N54 PolarHBondContact O-ND2 3.18Å; K50-N54 VanDerWaalsContact O-ND2 3.14Å; K50-Q81 HydrophobicContact CB-CG 4.47Å; K50-Q81 HydrophobicContact CD-CB 4.41Å; K50-Q81 HydrophobicContact CD-CG 3.9Å; K50-Q81 HydrophobicContact CG-CG 4.12Å
51	P	83.2	Confident	84.3	Confident	79 Å²	79	50 Å²	50	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-38.2	176.8	21.3	-34.5	0	0	0	114.2	P49 N54 Q55	P49-P51 VanDerWaalsContact C-N 3.27Å; P49-P51 HydrophobicContact CB-CG 4.3Å; P49-P51 WeakPolarHBondContact O-CD 3.29Å; P51-N54 PolarHBondContact O-N 3.26Å; P51-Q55 WeakPolarHBondContact O-CG 2.92Å; P51-Q55 PolarHBondContact O-N 2.73Å
52	R	82.5	Confident	84.2	Confident	88 Å²	88	57.3 Å²	57.3	33%	0.332	30%	0.295	S	S	.	.	H	α-helix	trans	-67.9	-43.9	178.2	-72.7	-171.3	-178.3	161.8	-7.3	112	E18 P49 K50 N54 Q55 L56	E18-R52 IonicContact OE1-CZ 3.38Å; E18-R52 IonicContact OE1-NH1 3.22Å; E18-R52 PolarHBondContact OE1-NH1 3.37Å; E18-R52 IonicContact OE1-NH2 2.82Å; E18-R52 PolarHBondContact OE1-NH2 3.38Å; E18-R52 IonicContact OE2-CZ 2.72Å; E18-R52 IonicContact OE2-NH1 3.11Å; E18-R52 PolarHBondContact OE2-NH1 3.38Å; P49-R52 HydrophobicContact CG-CG 4.18Å; P49-R52 WeakPolarHBondContact O-CB 3Å; P49-R52 PolarHBondContact O-N 2.98Å; K50-R52 PolarHBondContact O-N 3.24Å; R52-N54 VanDerWaalsContact C-N 3.25Å; R52-N54 PolarHBondContact O-N 3.37Å; R52-Q55 WeakPolarHBondContact O-CB 3.44Å; R52-Q55 PolarHBondContact O-N 3.01Å; R52-L56 PolarHBondContact O-N 2.96Å
53	L	86.5	Confident	84.2	Confident	17 Å²	17	60.1 Å²	60.1	9%	0.089	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-39.3	174.2	174.3	147.1	0	0	0	111	K50 L56 Y57	K50-L53 PolarHBondContact O-N 3.02Å; L53-L56 WeakPolarHBondContact O-CB 3.39Å; L53-L56 PolarHBondContact O-N 2.83Å; L53-Y57 HydrophobicContact CD1-CE2 4.46Å; L53-Y57 HydrophobicContact CD2-CD2 3.66Å; L53-Y57 HydrophobicContact CD2-CE2 3.51Å; L53-Y57 HydrophobicContact CG-CD2 4.04Å; L53-Y57 HydrophobicContact CG-CE2 3.85Å; L53-Y57 VanDerWaalsContact O-CD2 3.23Å; L53-Y57 WeakPolarHBondContact O-CD2 3.26Å; L53-Y57 PolarHBondContact O-N 3.19Å
54	N	86.2	Confident	84.2	Confident	17 Å²	17	57.2 Å²	57.2	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-43.2	175.3	-65.7	-27.2	0	0	0	112.3	K50 P51 R52 L56 Y57 E58 R78 Q81	K50-N54 PolarHBondContact O-N 3.23Å; K50-N54 PolarHBondContact O-ND2 3.18Å; K50-N54 VanDerWaalsContact O-ND2 3.14Å; P51-N54 PolarHBondContact O-N 3.26Å; R52-N54 VanDerWaalsContact C-N 3.25Å; R52-N54 PolarHBondContact O-N 3.37Å; N54-L56 VanDerWaalsContact C-N 3.27Å; N54-L56 PolarHBondContact O-N 3.31Å; N54-Y57 PolarHBondContact O-N 2.87Å; N54-E58 WeakPolarHBondContact O-CB 3.37Å; N54-E58 VanDerWaalsContact O-CG 3.24Å; N54-E58 WeakPolarHBondContact O-CG 3.29Å; N54-E58 PolarHBondContact O-N 2.98Å; N54-R78 PolarHBondContact ND2-NH1 3.08Å; N54-R78 WeakPolarHBondContact OD1-CD 3.29Å; N54-Q81 PolarHBondContact ND2-OE1 3.47Å; N54-Q81 PolarHBondContact OD1-NE2 3.43Å; N54-Q81 PolarHBondContact OD1-OE1 3.03Å
55	Q	85.4	Confident	84.1	Confident	111 Å²	111	55 Å²	55	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-38.7	174.7	-72.1	168.9	-5.3	0	0	111.9	P51 R52 E58 R59	P51-Q55 WeakPolarHBondContact O-CG 2.92Å; P51-Q55 PolarHBondContact O-N 2.73Å; R52-Q55 WeakPolarHBondContact O-CB 3.44Å; R52-Q55 PolarHBondContact O-N 3.01Å; Q55-E58 PolarHBondContact O-N 2.8Å; Q55-R59 WeakPolarHBondContact O-CB 3.42Å; Q55-R59 PolarHBondContact O-N 2.75Å
56	L	86.6	Confident	84.1	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-47.8	176.2	174.6	53.4	0	0	0	112.1	W38 Y41 I42 K45 R52 L53 N54 E58 R59 A60	W38-L56 HydrophobicContact CE3-CD1 3.79Å; W38-L56 HydrophobicContact CZ3-CD1 3.59Å; Y41-L56 HydrophobicContact CD1-CD1 3.16Å; Y41-L56 HydrophobicContact CD1-CD2 3.59Å; Y41-L56 HydrophobicContact CD1-CG 4.01Å; Y41-L56 HydrophobicContact CD2-CD2 4.23Å; Y41-L56 HydrophobicContact CE1-CD1 3.34Å; Y41-L56 HydrophobicContact CE1-CD2 3.84Å; Y41-L56 HydrophobicContact CE1-CG 4.19Å; Y41-L56 HydrophobicContact CE2-CD2 4.46Å; Y41-L56 HydrophobicContact CG-CD1 4.13Å; Y41-L56 HydrophobicContact CG-CD2 3.78Å; I42-L56 HydrophobicContact CB-CD2 4.31Å; I42-L56 HydrophobicContact CG1-CD2 3.67Å; I42-L56 HydrophobicContact CG1-CG 3.74Å; K45-L56 HydrophobicContact CB-CD2 4.22Å; K45-L56 HydrophobicContact CG-CD2 4.47Å; R52-L56 PolarHBondContact O-N 2.96Å; L53-L56 WeakPolarHBondContact O-CB 3.39Å; L53-L56 PolarHBondContact O-N 2.83Å; N54-L56 VanDerWaalsContact C-N 3.27Å; N54-L56 PolarHBondContact O-N 3.31Å; L56-E58 VanDerWaalsContact C-N 3.32Å; L56-E58 PolarHBondContact O-N 2.84Å; L56-R59 PolarHBondContact O-N 2.76Å; L56-A60 PolarHBondContact O-N 2.87Å
57	Y	88.1	Confident	84.6	Confident	12 Å²	12	53.6 Å²	53.6	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-42.3	173.3	-84.3	-73.6	0	0	0	112.2	I42 L53 N54 R59 A60 L61 R73 Y74 A77	I42-Y57 HydrophobicContact CD1-CD1 3.64Å; I42-Y57 HydrophobicContact CD1-CE1 3.58Å; I42-Y57 HydrophobicContact CD1-CG 4.25Å; I42-Y57 HydrophobicContact CG1-CD1 4.44Å; I42-Y57 HydrophobicContact CG1-CE1 4.34Å; I42-Y57 HydrophobicContact CG2-CE1 3.98Å; I42-Y57 HydrophobicContact CG2-CE2 3.7Å; I42-Y57 VanDerWaalsContact CG2-OH 3.22Å; I42-Y57 WeakPolarHBondContact CG2-OH 3.46Å; L53-Y57 HydrophobicContact CD1-CE2 4.46Å; L53-Y57 HydrophobicContact CD2-CD2 3.66Å; L53-Y57 HydrophobicContact CD2-CE2 3.51Å; L53-Y57 HydrophobicContact CG-CD2 4.04Å; L53-Y57 HydrophobicContact CG-CE2 3.85Å; L53-Y57 VanDerWaalsContact O-CD2 3.23Å; L53-Y57 WeakPolarHBondContact O-CD2 3.26Å; L53-Y57 PolarHBondContact O-N 3.19Å; N54-Y57 PolarHBondContact O-N 2.87Å; Y57-R59 VanDerWaalsContact C-N 3.28Å; Y57-R59 PolarHBondContact O-N 2.82Å; Y57-A60 WeakPolarHBondContact O-CB 3.05Å; Y57-A60 PolarHBondContact O-N 3.43Å; Y57-L61 WeakPolarHBondContact O-CB 3.42Å; Y57-L61 VanDerWaalsContact O-CG 3.27Å; Y57-L61 WeakPolarHBondContact O-CG 3.34Å; Y57-L61 PolarHBondContact O-N 2.89Å; Y57-R73 HydrophobicContact CE1-CB 4.21Å; Y57-Y74 VanDerWaalsContact CB-CE2 3.49Å; Y57-Y74 AromaticContact CD1-CD2 3.84Å; Y57-Y74 HydrophobicContact CD1-CD2 3.84Å; Y57-Y74 HydrophobicContact CD1-CG 4.01Å; Y57-Y74 AromaticContact CD2-CD2 3.61Å; Y57-Y74 HydrophobicContact CD2-CD2 3.61Å; Y57-Y74 HydrophobicContact CD2-CE2 4.24Å; Y57-Y74 HydrophobicContact CE2-CD2 4.37Å; Y57-Y74 AromaticContact CG-CD2 3.29Å; Y57-Y74 HydrophobicContact CG-CD2 3.29Å; Y57-Y74 HydrophobicContact CG-CE2 4.03Å; Y57-Y74 AromaticContact CG-CG 3.93Å; Y57-Y74 HydrophobicContact CG-CG 3.93Å; Y57-A77 HydrophobicContact CE2-CB 4.4Å
58	E	87.1	Confident	85	Confident	39 Å²	39	53.4 Å²	53.4	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-38.3	176.7	-74.5	-68.5	171.4	0	0	112	N54 Q55 L56 K62 Y74 R101	N54-E58 WeakPolarHBondContact O-CB 3.37Å; N54-E58 VanDerWaalsContact O-CG 3.24Å; N54-E58 WeakPolarHBondContact O-CG 3.29Å; N54-E58 PolarHBondContact O-N 2.98Å; Q55-E58 PolarHBondContact O-N 2.8Å; L56-E58 VanDerWaalsContact C-N 3.32Å; L56-E58 PolarHBondContact O-N 2.84Å; E58-K62 VanDerWaalsContact O-CG 3.29Å; E58-K62 WeakPolarHBondContact O-CG 3.47Å; E58-K62 PolarHBondContact O-N 2.95Å; E58-Y74 PolarHBondContact OE1-OH 3.2Å; E58-R101 VanDerWaalsContact CD-NH1 3.28Å; E58-R101 IonicContact OE1-CZ 2.91Å; E58-R101 IonicContact OE1-NH1 2.86Å; E58-R101 PolarHBondContact OE1-NH1 3.23Å; E58-R101 IonicContact OE1-NH2 3.84Å; E58-R101 IonicContact OE2-CZ 3.4Å; E58-R101 IonicContact OE2-NH1 3.83Å; E58-R101 PolarHBondContact OE2-NH1 2.87Å; E58-R101 VanDerWaalsContact OE2-NH1 3.09Å; E58-R101 IonicContact OE2-NH2 3.01Å; E58-R101 PolarHBondContact OE2-NH2 2.84Å
59	R	87.9	Confident	85.5	Confident	61 Å²	61	59.2 Å²	59.2	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-43.5	174.8	-161.5	173.4	70.9	173.4	10.4	111.8	E25 W38 Q55 L56 Y57 L61 K62	E25-R59 IonicContact OE1-CZ 2.66Å; E25-R59 IonicContact OE1-NH1 3.06Å; E25-R59 PolarHBondContact OE1-NH1 3.25Å; E25-R59 IonicContact OE1-NH2 3.52Å; E25-R59 PolarHBondContact OE1-NH2 3.11Å; E25-R59 IonicContact OE2-CZ 3.12Å; E25-R59 IonicContact OE2-NH1 2.74Å; E25-R59 PolarHBondContact OE2-NH1 3.5Å; E25-R59 IonicContact OE2-NH2 2.71Å; E25-R59 PolarHBondContact OE2-NH2 3.4Å; W38-R59 HydrophobicContact CH2-CB 4.22Å; W38-R59 HydrophobicContact CH2-CG 3.81Å; W38-R59 VanDerWaalsContact CH2-NE 3.29Å; W38-R59 HydrophobicContact CZ3-CB 4.17Å; W38-R59 HydrophobicContact CZ3-CG 4.23Å; Q55-R59 WeakPolarHBondContact O-CB 3.42Å; Q55-R59 PolarHBondContact O-N 2.75Å; L56-R59 PolarHBondContact O-N 2.76Å; Y57-R59 VanDerWaalsContact C-N 3.28Å; Y57-R59 PolarHBondContact O-N 2.82Å; R59-L61 PolarHBondContact O-N 3.03Å; R59-K62 PolarHBondContact O-N 2.86Å
60	A	87.3	Confident	85.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-43.6	176	0	0	0	0	0	111.9	W38 L56 Y57 L63 L64 L70	W38-A60 HydrophobicContact CB-CB 4.11Å; W38-A60 HydrophobicContact CD2-CB 3.52Å; W38-A60 HydrophobicContact CE3-CB 3.48Å; W38-A60 VanDerWaalsContact CE3-CB 3.48Å; W38-A60 HydrophobicContact CG-CB 3.8Å; W38-A60 HydrophobicContact CZ3-CB 4.16Å; L56-A60 PolarHBondContact O-N 2.87Å; Y57-A60 WeakPolarHBondContact O-CB 3.05Å; Y57-A60 PolarHBondContact O-N 3.43Å; A60-L63 PolarHBondContact O-N 3.07Å; A60-L64 PolarHBondContact O-N 2.98Å; A60-L70 HydrophobicContact CB-CD1 4.31Å
61	L	86.9	Confident	86.3	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-74.4	-26.7	-177.1	-70.2	173.2	0	0	0	113.4	Y57 R59 L63 L64 P65 L70 W71 Y74	Y57-L61 WeakPolarHBondContact O-CB 3.42Å; Y57-L61 VanDerWaalsContact O-CG 3.27Å; Y57-L61 WeakPolarHBondContact O-CG 3.34Å; Y57-L61 PolarHBondContact O-N 2.89Å; R59-L61 PolarHBondContact O-N 3.03Å; L61-L63 VanDerWaalsContact C-N 3.25Å; L61-L63 PolarHBondContact O-N 2.74Å; L61-L64 CarbonylContact O-C 3.59Å; L61-P65 WeakPolarHBondContact O-CA 3.44Å; L61-L70 HydrophobicContact CD2-CB 3.86Å; L61-W71 HydrophobicContact CB-CZ2 4.46Å; L61-W71 HydrophobicContact CD1-CD2 4.01Å; L61-W71 HydrophobicContact CD1-CE3 3.76Å; L61-W71 HydrophobicContact CD1-CH2 3.88Å; L61-W71 HydrophobicContact CD1-CZ2 4.12Å; L61-W71 HydrophobicContact CD1-CZ3 3.71Å; L61-W71 HydrophobicContact CD2-CD2 3.73Å; L61-W71 HydrophobicContact CD2-CE3 4.35Å; L61-W71 HydrophobicContact CD2-CG 3.88Å; L61-W71 HydrophobicContact CD2-CZ2 4.18Å; L61-W71 HydrophobicContact CG-CZ2 4.49Å; L61-Y74 HydrophobicContact CD1-CD1 3.42Å; L61-Y74 VanDerWaalsContact CD1-CD1 3.42Å; L61-Y74 HydrophobicContact CD1-CE1 3.92Å; L61-Y74 HydrophobicContact CD1-CG 3.98Å
62	K	85.5	Confident	86.6	Confident	168 Å²	168	50 Å²	50	73%	0.73	23%	0.234	S	C	*	.	H	α-helix	trans	-62.8	-33	170.2	-79.4	175.1	-176.6	-178.5	0	112.4	E58 R59	E58-K62 VanDerWaalsContact O-CG 3.29Å; E58-K62 WeakPolarHBondContact O-CG 3.47Å; E58-K62 PolarHBondContact O-N 2.95Å; R59-K62 PolarHBondContact O-N 2.86Å
63	L	85.4	Confident	86.9	Confident	59 Å²	59	50.3 Å²	50.3	31%	0.309	24%	0.236	S	C	.	.	H	α-helix	trans	-90.7	-35.4	179.5	-65.6	166.2	0	0	0	112.4	Q32 W38 A60 L61 P65	Q32-L63 HydrophobicContact CB-CD1 4.44Å; W38-L63 HydrophobicContact CH2-CD1 4.06Å; W38-L63 HydrophobicContact CZ2-CD1 3.32Å; A60-L63 PolarHBondContact O-N 3.07Å; L61-L63 VanDerWaalsContact C-N 3.25Å; L61-L63 PolarHBondContact O-N 2.74Å; L63-P65 VanDerWaalsContact C-CD 3.42Å; L63-P65 WeakPolarHBondContact O-CD 3.29Å
64	L	86.1	Confident	87	Confident	27 Å²	27	49.7 Å²	49.7	14%	0.141	23%	0.232	C	C	.	.			trans	-125.3	67.4	-175.4	-65.5	168.8	0	0	0	112.2	F33 V35 A60 L61 C66 S67 L70	F33-L64 HydrophobicContact CB-CD2 4.2Å; F33-L64 HydrophobicContact CD1-CD2 4.29Å; F33-L64 WeakPolarHBondContact O-CD1 3.38Å; F33-L64 WeakPolarHBondContact O-CD2 3.19Å; V35-L64 HydrophobicContact CG2-CD1 3.83Å; A60-L64 PolarHBondContact O-N 2.98Å; L61-L64 CarbonylContact O-C 3.59Å; L64-C66 VanDerWaalsContact C-N 3.28Å; L64-C66 PolarHBondContact O-N 2.8Å; L64-S67 PolarHBondContact O-N 2.98Å; L64-L70 HydrophobicContact CB-CD1 4.05Å; L64-L70 HydrophobicContact CD1-CD1 4.09Å
65	P	82.8	Confident	87.2	Confident	37 Å²	37	49 Å²	49	24%	0.24	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.1	-176.5	26.2	-34.6	0	0	0	114	L61 L63 W71 F105	L61-P65 WeakPolarHBondContact O-CA 3.44Å; L63-P65 VanDerWaalsContact C-CD 3.42Å; L63-P65 WeakPolarHBondContact O-CD 3.29Å; P65-W71 PolarHBondContact O-NE1 3.26Å; P65-F105 HydrophobicContact CB-CD1 4.03Å; P65-F105 HydrophobicContact CB-CD2 3.8Å; P65-F105 HydrophobicContact CB-CE1 3.86Å; P65-F105 HydrophobicContact CB-CE2 3.61Å; P65-F105 HydrophobicContact CB-CG 4Å; P65-F105 HydrophobicContact CB-CZ 3.64Å; P65-F105 HydrophobicContact CG-CE1 4.23Å; P65-F105 HydrophobicContact CG-CZ 4.32Å
66	C	83.7	Confident	87.4	Confident	91 Å²	91	49.9 Å²	49.9	62%	0.615	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	0.4	-178	-58.8	0	0	0	0	114.2	L64 Y68	L64-C66 VanDerWaalsContact C-N 3.28Å; L64-C66 PolarHBondContact O-N 2.8Å; C66-Y68 PolarHBondContact O-N 3.5Å
67	S	87.9	Confident	87.4	Confident	18 Å²	18	50.5 Å²	50.5	13%	0.126	24%	0.237	C	C	.	.			trans	-79.7	104.6	-175.7	-179.2	0	0	0	0	111.8	L64 K69 L70 W71	L64-S67 PolarHBondContact O-N 2.98Å; S67-K69 VanDerWaalsContact C-N 3.26Å; S67-K69 PolarHBondContact O-N 3.44Å; S67-L70 PolarHBondContact O-N 3.05Å; S67-L70 PolarHBondContact OG-N 3.41Å; S67-W71 PolarHBondContact O-N 2.84Å; S67-W71 VanDerWaalsContact O-N 3.09Å
68	Y	86.5	Confident	87.3	Confident	76 Å²	76	51.1 Å²	51.1	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-54.1	-42.3	174.2	175.5	-101.6	0	0	0	112.5	C66 L70 W71 Y72 M106 M109 L112	C66-Y68 PolarHBondContact O-N 3.5Å; Y68-L70 PolarHBondContact O-N 3.4Å; Y68-W71 PolarHBondContact O-N 3.19Å; Y68-Y72 HydrophobicContact CE1-CG 4.35Å; Y68-Y72 WeakPolarHBondContact O-CB 3.21Å; Y68-Y72 PolarHBondContact O-N 3.08Å; Y68-M106 HydrophobicContact CD2-CE 4.21Å; Y68-M106 HydrophobicContact CG-CE 4.48Å; Y68-M109 HydrophobicContact CD2-CG 4.39Å; Y68-L112 HydrophobicContact CD2-CD1 4.09Å; Y68-L112 HydrophobicContact CD2-CD2 4.37Å; Y68-L112 HydrophobicContact CD2-CG 4.28Å; Y68-L112 HydrophobicContact CE2-CD1 4.08Å; Y68-L112 HydrophobicContact CE2-CD2 3.74Å; Y68-L112 HydrophobicContact CE2-CG 3.75Å
69	K	87.7	Confident	87.3	Confident	143 Å²	143	51.5 Å²	51.5	62%	0.622	24%	0.239	S	C	*	.	H	α-helix	trans	-64.8	-41.6	-175.8	-68.2	-176.5	179.7	180	0	111.8	S67 R73	S67-K69 VanDerWaalsContact C-N 3.26Å; S67-K69 PolarHBondContact O-N 3.44Å; K69-R73 WeakPolarHBondContact O-CB 3.45Å; K69-R73 WeakPolarHBondContact O-CG 3.42Å; K69-R73 PolarHBondContact O-N 2.96Å; K69-R73 VanDerWaalsContact O-N 3.08Å
70	L	88.6	Confident	87.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-49.1	177.2	-69.8	173.1	0	0	0	110.4	V35 W38 L39 I42 A60 L61 L64 S67 Y68 Y72 R73 Y74	V35-L70 HydrophobicContact CG1-CD1 4.22Å; V35-L70 HydrophobicContact CG1-CD2 4.31Å; V35-L70 HydrophobicContact CG1-CG 3.98Å; V35-L70 HydrophobicContact CG2-CD1 4.34Å; W38-L70 HydrophobicContact CB-CD2 4.29Å; L39-L70 HydrophobicContact CD2-CD2 3.61Å; L39-L70 HydrophobicContact CG-CD2 4.06Å; I42-L70 HydrophobicContact CD1-CD2 4.01Å; A60-L70 HydrophobicContact CB-CD1 4.31Å; L61-L70 HydrophobicContact CD2-CB 3.86Å; L64-L70 HydrophobicContact CB-CD1 4.05Å; L64-L70 HydrophobicContact CD1-CD1 4.09Å; S67-L70 PolarHBondContact O-N 3.05Å; S67-L70 PolarHBondContact OG-N 3.41Å; Y68-L70 PolarHBondContact O-N 3.4Å; L70-Y72 PolarHBondContact O-N 3.37Å; L70-R73 PolarHBondContact O-N 3.38Å; L70-Y74 WeakPolarHBondContact O-CB 3.33Å; L70-Y74 PolarHBondContact O-N 3.48Å
71	W	90.9	Very high	87.1	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-48.2	176.3	-84.1	116	0	0	0	112.6	L61 P65 S67 Y68 R73 Y74 L75 C98 R101 A102	L61-W71 HydrophobicContact CB-CZ2 4.46Å; L61-W71 HydrophobicContact CD1-CD2 4.01Å; L61-W71 HydrophobicContact CD1-CE3 3.76Å; L61-W71 HydrophobicContact CD1-CH2 3.88Å; L61-W71 HydrophobicContact CD1-CZ2 4.12Å; L61-W71 HydrophobicContact CD1-CZ3 3.71Å; L61-W71 HydrophobicContact CD2-CD2 3.73Å; L61-W71 HydrophobicContact CD2-CE3 4.35Å; L61-W71 HydrophobicContact CD2-CG 3.88Å; L61-W71 HydrophobicContact CD2-CZ2 4.18Å; L61-W71 HydrophobicContact CG-CZ2 4.49Å; P65-W71 PolarHBondContact O-NE1 3.26Å; S67-W71 PolarHBondContact O-N 2.84Å; S67-W71 VanDerWaalsContact O-N 3.09Å; Y68-W71 PolarHBondContact O-N 3.19Å; W71-R73 PolarHBondContact O-N 2.85Å; W71-Y74 HydrophobicContact CE3-CD1 4.14Å; W71-Y74 HydrophobicContact CZ3-CD1 4.07Å; W71-Y74 HydrophobicContact CZ3-CE1 4.36Å; W71-Y74 PolarHBondContact O-N 2.99Å; W71-L75 HydrophobicContact CE3-CG 4.41Å; W71-L75 WeakPolarHBondContact O-CB 3.22Å; W71-L75 WeakPolarHBondContact O-CG 3.1Å; W71-L75 PolarHBondContact O-N 3.35Å; W71-C98 WeakPolarHBondContact CZ3-O 3.39Å; W71-R101 HydrophobicContact CH2-CB 3.69Å; W71-R101 HydrophobicContact CZ2-CB 4.46Å; W71-R101 HydrophobicContact CZ3-CB 4.37Å; W71-A102 HydrophobicContact CD2-CB 3.65Å; W71-A102 HydrophobicContact CE3-CB 3.46Å; W71-A102 VanDerWaalsContact CE3-CB 3.46Å; W71-A102 HydrophobicContact CG-CB 4.17Å; W71-A102 HydrophobicContact CH2-CB 4.36Å; W71-A102 HydrophobicContact CZ3-CB 3.84Å
72	Y	89.8	Confident	86.9	Confident	66 Å²	66	52.3 Å²	52.3	26%	0.259	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-45.3	-178.9	-177.9	-102.9	0	0	0	112.1	Y68 L70 K76 R111 L112 D115	Y68-Y72 HydrophobicContact CE1-CG 4.35Å; Y68-Y72 WeakPolarHBondContact O-CB 3.21Å; Y68-Y72 PolarHBondContact O-N 3.08Å; L70-Y72 PolarHBondContact O-N 3.37Å; Y72-K76 VanDerWaalsContact O-CB 3.27Å; Y72-K76 WeakPolarHBondContact O-CB 3.07Å; Y72-K76 PolarHBondContact O-N 3.08Å; Y72-R111 HydrophobicContact CE2-CG 4.44Å; Y72-L112 HydrophobicContact CD2-CD2 4.06Å; Y72-D115 WeakPolarHBondContact CE2-OD2 3.44Å
73	R	87.6	Confident	86.7	Confident	95 Å²	95	52.3 Å²	52.3	36%	0.358	26%	0.256	S	S	.	.	H	α-helix	trans	-64.6	-42.7	175.7	-75.4	-172.6	176.7	-163.2	1.5	111.5	E43 Y57 K69 L70 W71 K76 A77	E43-R73 IonicContact OE1-CZ 3.34Å; E43-R73 IonicContact OE1-NH1 3.64Å; E43-R73 PolarHBondContact OE1-NH1 2.86Å; E43-R73 IonicContact OE1-NH2 3.89Å; Y57-R73 HydrophobicContact CE1-CB 4.21Å; K69-R73 WeakPolarHBondContact O-CB 3.45Å; K69-R73 WeakPolarHBondContact O-CG 3.42Å; K69-R73 PolarHBondContact O-N 2.96Å; K69-R73 VanDerWaalsContact O-N 3.08Å; L70-R73 PolarHBondContact O-N 3.38Å; W71-R73 PolarHBondContact O-N 2.85Å; R73-K76 PolarHBondContact O-N 2.87Å; R73-A77 WeakPolarHBondContact O-CB 3.43Å; R73-A77 PolarHBondContact O-N 3.18Å
74	Y	89.6	Confident	86.4	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-50.5	178.2	-179.7	-129.3	0	0	0	111.9	Y57 E58 L61 L70 W71 K76 A77 R78 C98	Y57-Y74 VanDerWaalsContact CB-CE2 3.49Å; Y57-Y74 AromaticContact CD1-CD2 3.84Å; Y57-Y74 HydrophobicContact CD1-CD2 3.84Å; Y57-Y74 HydrophobicContact CD1-CG 4.01Å; Y57-Y74 AromaticContact CD2-CD2 3.61Å; Y57-Y74 HydrophobicContact CD2-CD2 3.61Å; Y57-Y74 HydrophobicContact CD2-CE2 4.24Å; Y57-Y74 HydrophobicContact CE2-CD2 4.37Å; Y57-Y74 AromaticContact CG-CD2 3.29Å; Y57-Y74 HydrophobicContact CG-CD2 3.29Å; Y57-Y74 HydrophobicContact CG-CE2 4.03Å; Y57-Y74 AromaticContact CG-CG 3.93Å; Y57-Y74 HydrophobicContact CG-CG 3.93Å; E58-Y74 PolarHBondContact OE1-OH 3.2Å; L61-Y74 HydrophobicContact CD1-CD1 3.42Å; L61-Y74 VanDerWaalsContact CD1-CD1 3.42Å; L61-Y74 HydrophobicContact CD1-CE1 3.92Å; L61-Y74 HydrophobicContact CD1-CG 3.98Å; L70-Y74 WeakPolarHBondContact O-CB 3.33Å; L70-Y74 PolarHBondContact O-N 3.48Å; W71-Y74 HydrophobicContact CE3-CD1 4.14Å; W71-Y74 HydrophobicContact CZ3-CD1 4.07Å; W71-Y74 HydrophobicContact CZ3-CE1 4.36Å; W71-Y74 PolarHBondContact O-N 2.99Å; Y74-K76 VanDerWaalsContact C-N 3.31Å; Y74-K76 PolarHBondContact O-N 3.39Å; Y74-A77 PolarHBondContact O-N 2.81Å; Y74-R78 HydrophobicContact CD2-CG 3.86Å; Y74-R78 HydrophobicContact CE1-CG 4.24Å; Y74-R78 HydrophobicContact CE2-CG 3.5Å; Y74-R78 HydrophobicContact CG-CG 4.4Å; Y74-R78 WeakPolarHBondContact O-CB 3.21Å; Y74-R78 WeakPolarHBondContact O-CG 3.28Å; Y74-R78 PolarHBondContact O-N 2.99Å; Y74-C98 HydrophobicContact CE1-CB 4.02Å; Y74-C98 PolarHBondContact OH-SG 3.43Å
75	L	89.1	Confident	86.1	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-36.7	178.2	-67.3	170.7	0	0	0	111.8	W71 R79 C98 H99 A102 L112	W71-L75 HydrophobicContact CE3-CG 4.41Å; W71-L75 WeakPolarHBondContact O-CB 3.22Å; W71-L75 WeakPolarHBondContact O-CG 3.1Å; W71-L75 PolarHBondContact O-N 3.35Å; L75-R79 WeakPolarHBondContact O-CB 3.42Å; L75-R79 VanDerWaalsContact O-CG 3.29Å; L75-R79 WeakPolarHBondContact O-CG 3.42Å; L75-R79 PolarHBondContact O-N 2.71Å; L75-R79 PolarHBondContact O-NE 3.47Å; L75-C98 HydrophobicContact CD2-CB 3.76Å; L75-H99 HydrophobicContact CD2-CB 4.35Å; L75-A102 HydrophobicContact CD1-CB 3.93Å; L75-L112 HydrophobicContact CD1-CD2 4.23Å
76	K	89.7	Confident	85.9	Confident	130 Å²	130	64.8 Å²	64.8	57%	0.565	31%	0.312	S	S	*	.	H	α-helix	trans	-64.4	-45.4	172.9	-173.3	179.1	179.4	-176.2	0	111.5	Y72 R73 Y74 R79 A80	Y72-K76 VanDerWaalsContact O-CB 3.27Å; Y72-K76 WeakPolarHBondContact O-CB 3.07Å; Y72-K76 PolarHBondContact O-N 3.08Å; R73-K76 PolarHBondContact O-N 2.87Å; Y74-K76 VanDerWaalsContact C-N 3.31Å; Y74-K76 PolarHBondContact O-N 3.39Å; K76-R79 PolarHBondContact O-N 3.41Å; K76-A80 WeakPolarHBondContact O-CB 3.44Å; K76-A80 PolarHBondContact O-N 3.16Å
77	A	87.6	Confident	85.5	Confident	23 Å²	23	63.2 Å²	63.2	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-46.4	177.4	0	0	0	0	0	111.3	Y57 R73 Y74 A80 Q81	Y57-A77 HydrophobicContact CE2-CB 4.4Å; R73-A77 WeakPolarHBondContact O-CB 3.43Å; R73-A77 PolarHBondContact O-N 3.18Å; Y74-A77 PolarHBondContact O-N 2.81Å; A77-A80 WeakPolarHBondContact O-CB 3.44Å; A77-A80 PolarHBondContact O-N 2.82Å; A77-Q81 VanDerWaalsContact O-CG 3.28Å; A77-Q81 WeakPolarHBondContact O-CG 3.48Å; A77-Q81 PolarHBondContact O-N 3.44Å
78	R	86.1	Confident	85	Confident	26 Å²	26	68.6 Å²	68.6	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-45.3	177.1	-73.5	-66.1	-68.5	173.4	0.6	112.3	N54 Y74 A80 Q81 V82 D94 V95	N54-R78 PolarHBondContact ND2-NH1 3.08Å; N54-R78 WeakPolarHBondContact OD1-CD 3.29Å; Y74-R78 HydrophobicContact CD2-CG 3.86Å; Y74-R78 HydrophobicContact CE1-CG 4.24Å; Y74-R78 HydrophobicContact CE2-CG 3.5Å; Y74-R78 HydrophobicContact CG-CG 4.4Å; Y74-R78 WeakPolarHBondContact O-CB 3.21Å; Y74-R78 WeakPolarHBondContact O-CG 3.28Å; Y74-R78 PolarHBondContact O-N 2.99Å; R78-A80 VanDerWaalsContact C-N 3.35Å; R78-A80 PolarHBondContact O-N 3.32Å; R78-Q81 PolarHBondContact O-N 3.36Å; R78-V82 WeakPolarHBondContact O-CG2 3.41Å; R78-V82 PolarHBondContact O-N 3.3Å; R78-D94 IonicContact NH2-OD2 3.8Å; R78-V95 HydrophobicContact CB-CG1 4.19Å; R78-V95 HydrophobicContact CB-CG2 3.85Å
79	R	86.1	Confident	84.8	Confident	46 Å²	46	67 Å²	67	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-41.3	173	-73.4	-176	-67.2	169.1	-2.4	112.4	L75 K76 Q81 V82 K83 V95 D115 F119	L75-R79 WeakPolarHBondContact O-CB 3.42Å; L75-R79 VanDerWaalsContact O-CG 3.29Å; L75-R79 WeakPolarHBondContact O-CG 3.42Å; L75-R79 PolarHBondContact O-N 2.71Å; L75-R79 PolarHBondContact O-NE 3.47Å; K76-R79 PolarHBondContact O-N 3.41Å; R79-Q81 VanDerWaalsContact C-N 3.34Å; R79-Q81 PolarHBondContact O-N 2.9Å; R79-V82 PolarHBondContact O-N 3.43Å; R79-K83 PolarHBondContact O-N 3.29Å; R79-K83 VanDerWaalsContact O-N 3.14Å; R79-V95 HydrophobicContact CG-CG1 3.93Å; R79-D115 IonicContact CZ-OD2 3.9Å; R79-D115 VanDerWaalsContact NH1-CB 3.31Å; R79-D115 PolarHBondContact NH1-O 2.87Å; R79-D115 IonicContact NH1-OD2 3.17Å; R79-D115 PolarHBondContact NH1-OD2 2.73Å; R79-D115 IonicContact NH2-OD2 2.92Å; R79-D115 PolarHBondContact NH2-OD2 2.83Å; R79-F119 HydrophobicContact CB-CD2 4.47Å; R79-F119 HydrophobicContact CB-CE2 4.42Å; R79-F119 HydrophobicContact CG-CD1 4.3Å; R79-F119 HydrophobicContact CG-CD2 3.77Å; R79-F119 HydrophobicContact CG-CE1 4.41Å; R79-F119 HydrophobicContact CG-CE2 3.91Å; R79-F119 HydrophobicContact CG-CG 3.98Å; R79-F119 HydrophobicContact CG-CZ 4.24Å
80	A	86.8	Confident	84.7	Confident	58 Å²	58	64.4 Å²	64.4	48%	0.479	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-35	177.1	0	0	0	0	0	112.9	K76 A77 R78 V82	K76-A80 WeakPolarHBondContact O-CB 3.44Å; K76-A80 PolarHBondContact O-N 3.16Å; A77-A80 WeakPolarHBondContact O-CB 3.44Å; A77-A80 PolarHBondContact O-N 2.82Å; R78-A80 VanDerWaalsContact C-N 3.35Å; R78-A80 PolarHBondContact O-N 3.32Å; A80-V82 PolarHBondContact O-N 3.25Å
81	Q	84.2	Confident	84.5	Confident	23 Å²	23	64.9 Å²	64.9	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-29.2	176.2	-70.6	170.6	17.3	0	0	112.6	K50 N54 A77 R78 R79	K50-Q81 HydrophobicContact CB-CG 4.47Å; K50-Q81 HydrophobicContact CD-CB 4.41Å; K50-Q81 HydrophobicContact CD-CG 3.9Å; K50-Q81 HydrophobicContact CG-CG 4.12Å; N54-Q81 PolarHBondContact ND2-OE1 3.47Å; N54-Q81 PolarHBondContact OD1-NE2 3.43Å; N54-Q81 PolarHBondContact OD1-OE1 3.03Å; A77-Q81 VanDerWaalsContact O-CG 3.28Å; A77-Q81 WeakPolarHBondContact O-CG 3.48Å; A77-Q81 PolarHBondContact O-N 3.44Å; R78-Q81 PolarHBondContact O-N 3.36Å; R79-Q81 VanDerWaalsContact C-N 3.34Å; R79-Q81 PolarHBondContact O-N 2.9Å
82	V	83.9	Confident	84.3	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-95.8	-19.3	-172.4	175.4	0	0	0	0	113	R78 R79 A80 H84 R85 A91 Y92 V95	R78-V82 WeakPolarHBondContact O-CG2 3.41Å; R78-V82 PolarHBondContact O-N 3.3Å; R79-V82 PolarHBondContact O-N 3.43Å; A80-V82 PolarHBondContact O-N 3.25Å; V82-H84 PolarHBondContact O-N 2.99Å; V82-R85 PolarHBondContact O-N 3.41Å; V82-A91 HydrophobicContact CG2-CB 3.87Å; V82-Y92 HydrophobicContact CG1-CD1 3.58Å; V82-Y92 HydrophobicContact CG1-CD2 3.19Å; V82-Y92 HydrophobicContact CG1-CE1 3.53Å; V82-Y92 HydrophobicContact CG1-CE2 3.08Å; V82-Y92 HydrophobicContact CG1-CG 3.44Å; V82-Y92 VanDerWaalsContact CG1-CG 3.44Å; V82-V95 HydrophobicContact CB-CG2 4.46Å; V82-V95 HydrophobicContact CG2-CG2 3.6Å
83	K	80.2	Confident	84.1	Confident	168 Å²	168	66.7 Å²	66.7	73%	0.73	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-25.6	-177.4	-166.4	177	180	-175.7	0	115.5	R79	R79-K83 PolarHBondContact O-N 3.29Å; R79-K83 VanDerWaalsContact O-N 3.14Å
84	H	80.4	Confident	84.1	Confident	167 Å²	167	65.9 Å²	65.9	77%	0.773	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-3.3	179.8	-58.3	-70.7	0	0	0	114.2	V82	V82-H84 PolarHBondContact O-N 2.99Å
85	R	79.6	Confident	84.1	Confident	124 Å²	124	65.7 Å²	65.7	47%	0.468	34%	0.343	S	S	.	.	S	Bend	trans	-96.2	156.1	-178.2	-70.9	164.4	172.6	-124.4	8	109.9	V82 D89 Y92	V82-R85 PolarHBondContact O-N 3.41Å; R85-D89 HydrophobicContact CB-CB 4.07Å; R85-D89 WeakPolarHBondContact CD-OD2 3.35Å; R85-D89 WeakPolarHBondContact CG-OD2 3.29Å; R85-D89 IonicContact CZ-OD2 3.07Å; R85-D89 IonicContact NE-OD2 2.66Å; R85-D89 IonicContact NH1-OD1 2.72Å; R85-D89 PolarHBondContact NH1-OD1 3.41Å; R85-D89 IonicContact NH1-OD2 3.16Å; R85-D89 PolarHBondContact NH1-OD2 3.06Å; R85-Y92 HydrophobicContact CB-CE2 4.49Å
86	C	78.1	Confident	84.2	Confident	93 Å²	93	66 Å²	66	63%	0.628	34%	0.344	S	S	*	.			trans	-63.4	144.8	171.9	-68.8	0	0	0	0	109.9	T88 D89 Y92	C86-T88 PolarHBondContact O-N 3.13Å; C86-D89 WeakPolarHBondContact O-CB 3.15Å; C86-D89 PolarHBondContact O-N 2.91Å; C86-Y92 WeakPolarHBondContact O-CD2 3.39Å; C86-Y92 VanDerWaalsContact O-CE2 3.25Å; C86-Y92 WeakPolarHBondContact O-CE2 3.45Å
87	V	75.8	Confident	84.1	Confident	58 Å²	58	64.3 Å²	64.3	35%	0.352	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.5	-179.3	178.7	0	0	0	0	113	Y92 Q123	V87-Y92 VanDerWaalsContact CA-CE2 3.44Å; V87-Y92 HydrophobicContact CB-CE2 4.48Å; V87-Y92 HydrophobicContact CG2-CE2 4.47Å; V87-Q123 HydrophobicContact CG1-CB 3.98Å; V87-Q123 HydrophobicContact CG1-CG 4.2Å; V87-Q123 WeakPolarHBondContact CG1-O 3.35Å
88	T	76.5	Confident	84.2	Confident	131 Å²	131	63.5 Å²	63.5	80%	0.804	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.6	176.4	50.4	0	0	0	0	114.3	C86	C86-T88 PolarHBondContact O-N 3.13Å
89	D	82.6	Confident	84.4	Confident	43 Å²	43	62.3 Å²	62.3	23%	0.23	33%	0.33	C	S	.	.	S	Bend	trans	-64.9	131.6	178.9	-173.3	-32.1	0	0	0	110	R85 C86 A91 Y92	R85-D89 HydrophobicContact CB-CB 4.07Å; R85-D89 WeakPolarHBondContact CD-OD2 3.35Å; R85-D89 WeakPolarHBondContact CG-OD2 3.29Å; R85-D89 IonicContact CZ-OD2 3.07Å; R85-D89 IonicContact NE-OD2 2.66Å; R85-D89 IonicContact NH1-OD1 2.72Å; R85-D89 PolarHBondContact NH1-OD1 3.41Å; R85-D89 IonicContact NH1-OD2 3.16Å; R85-D89 PolarHBondContact NH1-OD2 3.06Å; C86-D89 WeakPolarHBondContact O-CB 3.15Å; C86-D89 PolarHBondContact O-N 2.91Å; D89-A91 PolarHBondContact O-N 3.49Å; D89-A91 WeakPolarHBondContact OD1-CB 3.47Å; D89-A91 PolarHBondContact OD1-N 3.03Å; D89-Y92 PolarHBondContact O-N 2.88Å
90	P	85.8	Confident	84.6	Confident	88 Å²	88	62.1 Å²	62.1	57%	0.571	33%	0.331	S	S	*	.	H	α-helix	trans	-47.5	-26.5	174.5	-29.8	34.7	0	0	0	114.4	Y92 E93 D94	P90-Y92 PolarHBondContact O-N 3.37Å; P90-E93 WeakPolarHBondContact O-CB 3.3Å; P90-E93 PolarHBondContact O-N 3.2Å; P90-D94 PolarHBondContact O-N 3Å
91	A	85.1	Confident	84.7	Confident	10 Å²	10	63.9 Å²	63.9	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-56.3	-32.9	175.4	0	0	0	0	0	113.5	V82 D89 E93 D94 V95	V82-A91 HydrophobicContact CG2-CB 3.87Å; D89-A91 PolarHBondContact O-N 3.49Å; D89-A91 WeakPolarHBondContact OD1-CB 3.47Å; D89-A91 PolarHBondContact OD1-N 3.03Å; A91-E93 VanDerWaalsContact C-N 3.33Å; A91-D94 PolarHBondContact O-N 3.28Å; A91-V95 WeakPolarHBondContact O-CG2 3.22Å; A91-V95 PolarHBondContact O-N 3.3Å; A91-V95 VanDerWaalsContact O-N 3.17Å
92	Y	86.4	Confident	84.9	Confident	19 Å²	19	62.8 Å²	62.8	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-38.1	174.6	-87.6	-88.2	0	0	0	112.1	V82 R85 C86 V87 D89 P90 V95 N96 F119 Q123	V82-Y92 HydrophobicContact CG1-CD1 3.58Å; V82-Y92 HydrophobicContact CG1-CD2 3.19Å; V82-Y92 HydrophobicContact CG1-CE1 3.53Å; V82-Y92 HydrophobicContact CG1-CE2 3.08Å; V82-Y92 HydrophobicContact CG1-CG 3.44Å; V82-Y92 VanDerWaalsContact CG1-CG 3.44Å; R85-Y92 HydrophobicContact CB-CE2 4.49Å; C86-Y92 WeakPolarHBondContact O-CD2 3.39Å; C86-Y92 VanDerWaalsContact O-CE2 3.25Å; C86-Y92 WeakPolarHBondContact O-CE2 3.45Å; V87-Y92 VanDerWaalsContact CA-CE2 3.44Å; V87-Y92 HydrophobicContact CB-CE2 4.48Å; V87-Y92 HydrophobicContact CG2-CE2 4.47Å; D89-Y92 PolarHBondContact O-N 2.88Å; P90-Y92 PolarHBondContact O-N 3.37Å; Y92-V95 PolarHBondContact O-N 3.42Å; Y92-N96 VanDerWaalsContact O-CG 3.28Å; Y92-N96 PolarHBondContact O-N 2.91Å; Y92-N96 PolarHBondContact O-ND2 3.23Å; Y92-F119 HydrophobicContact CD1-CE1 4.31Å; Y92-F119 AromaticContact CD1-CE2 3.97Å; Y92-F119 HydrophobicContact CD1-CE2 3.97Å; Y92-F119 AromaticContact CD1-CZ 3.5Å; Y92-F119 HydrophobicContact CD1-CZ 3.5Å; Y92-F119 VanDerWaalsContact CD1-CZ 3.5Å; Y92-F119 AromaticContact CE1-CE2 3.7Å; Y92-F119 HydrophobicContact CE1-CE2 3.7Å; Y92-F119 AromaticContact CE1-CZ 3.75Å; Y92-F119 HydrophobicContact CE1-CZ 3.75Å; Y92-Q123 HydrophobicContact CD1-CG 3.52Å; Y92-Q123 HydrophobicContact CE1-CG 3.79Å
93	E	85.7	Confident	85.1	Confident	89 Å²	89	63 Å²	63	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-67.9	-39.4	178.5	-54.3	-156.6	141.3	0	0	111.4	P90 A91 V95 N96 N97 R125	P90-E93 WeakPolarHBondContact O-CB 3.3Å; P90-E93 PolarHBondContact O-N 3.2Å; A91-E93 VanDerWaalsContact C-N 3.33Å; E93-V95 VanDerWaalsContact C-N 3.32Å; E93-V95 PolarHBondContact O-N 2.93Å; E93-N96 WeakPolarHBondContact O-CB 3.4Å; E93-N96 PolarHBondContact O-N 3.25Å; E93-N97 PolarHBondContact O-N 2.86Å; E93-N97 PolarHBondContact O-ND2 2.86Å; E93-R125 IonicContact OE1-CZ 2.9Å; E93-R125 IonicContact OE1-NH1 2.67Å; E93-R125 PolarHBondContact OE1-NH1 2.94Å; E93-R125 VanDerWaalsContact OE1-NH1 3.11Å; E93-R125 IonicContact OE1-NH2 3.85Å; E93-R125 PolarHBondContact OE1-NH2 2.63Å
94	D	86.8	Confident	85.5	Confident	79 Å²	79	60 Å²	60	42%	0.422	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-41.9	173.4	-65	-24.5	0	0	0	112	R78 P90 A91 N96 N97 C98	R78-D94 IonicContact NH2-OD2 3.8Å; P90-D94 PolarHBondContact O-N 3Å; A91-D94 PolarHBondContact O-N 3.28Å; D94-N96 VanDerWaalsContact C-N 3.34Å; D94-N97 WeakPolarHBondContact O-CB 3.24Å; D94-N97 PolarHBondContact O-N 3.49Å; D94-C98 PolarHBondContact O-N 3.39Å; D94-C98 PolarHBondContact O-SG 3.17Å
95	V	89.9	Confident	85.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-38.5	177.7	-178.9	0	0	0	0	111.1	R78 R79 V82 A91 Y92 E93 N97 C98 H99 F119	R78-V95 HydrophobicContact CB-CG1 4.19Å; R78-V95 HydrophobicContact CB-CG2 3.85Å; R79-V95 HydrophobicContact CG-CG1 3.93Å; V82-V95 HydrophobicContact CB-CG2 4.46Å; V82-V95 HydrophobicContact CG2-CG2 3.6Å; A91-V95 WeakPolarHBondContact O-CG2 3.22Å; A91-V95 PolarHBondContact O-N 3.3Å; A91-V95 VanDerWaalsContact O-N 3.17Å; Y92-V95 PolarHBondContact O-N 3.42Å; E93-V95 VanDerWaalsContact C-N 3.32Å; E93-V95 PolarHBondContact O-N 2.93Å; V95-N97 VanDerWaalsContact C-N 3.33Å; V95-C98 WeakPolarHBondContact O-CB 3.49Å; V95-C98 PolarHBondContact O-N 3.36Å; V95-H99 PolarHBondContact O-CD2 3.27Å; V95-H99 VanDerWaalsContact O-CD2 3.31Å; V95-H99 PolarHBondContact O-N 2.82Å; V95-F119 HydrophobicContact CB-CE1 3.84Å; V95-F119 HydrophobicContact CB-CZ 4.01Å; V95-F119 HydrophobicContact CG1-CD1 4.21Å; V95-F119 HydrophobicContact CG1-CE1 3.43Å; V95-F119 VanDerWaalsContact CG1-CE1 3.43Å; V95-F119 HydrophobicContact CG1-CZ 3.74Å
96	N	90.2	Very high	85.9	Confident	8 Å²	8	52 Å²	52	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-44.7	172.5	-68	-21.3	0	0	0	110.9	Y92 E93 D94 C98 H99 E100 F119 L120 Q123	Y92-N96 VanDerWaalsContact O-CG 3.28Å; Y92-N96 PolarHBondContact O-N 2.91Å; Y92-N96 PolarHBondContact O-ND2 3.23Å; E93-N96 WeakPolarHBondContact O-CB 3.4Å; E93-N96 PolarHBondContact O-N 3.25Å; D94-N96 VanDerWaalsContact C-N 3.34Å; N96-C98 VanDerWaalsContact C-N 3.32Å; N96-C98 PolarHBondContact O-N 3.29Å; N96-H99 WeakPolarHBondContact O-CB 3.47Å; N96-H99 PolarHBondContact O-N 2.94Å; N96-H99 VanDerWaalsContact O-N 3.13Å; N96-E100 WeakPolarHBondContact O-CG 3.48Å; N96-E100 PolarHBondContact O-N 2.92Å; N96-F119 WeakPolarHBondContact OD1-CE1 3.37Å; N96-L120 VanDerWaalsContact OD1-CD2 3.3Å; N96-L120 WeakPolarHBondContact OD1-CD2 3.26Å; N96-Q123 PolarHBondContact ND2-OE1 3.37Å; N96-Q123 PolarHBondContact OD1-NE2 2.85Å
97	N	89.5	Confident	86.3	Confident	94 Å²	94	51.1 Å²	51.1	50%	0.503	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-38.3	175	-67.8	-27.6	0	0	0	112	E93 D94 V95 E100 R101	E93-N97 PolarHBondContact O-N 2.86Å; E93-N97 PolarHBondContact O-ND2 2.86Å; D94-N97 WeakPolarHBondContact O-CB 3.24Å; D94-N97 PolarHBondContact O-N 3.49Å; V95-N97 VanDerWaalsContact C-N 3.33Å; N97-E100 PolarHBondContact O-N 2.79Å; N97-R101 WeakPolarHBondContact O-CB 3.37Å; N97-R101 VanDerWaalsContact O-CG 3.26Å; N97-R101 WeakPolarHBondContact O-CG 3.33Å; N97-R101 PolarHBondContact O-N 2.9Å
98	C	89.5	Confident	86.8	Confident	6 Å²	6	55 Å²	55	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-43.5	172.7	-63.3	0	0	0	0	111.7	W71 Y74 L75 D94 V95 N96 R101 A102	W71-C98 WeakPolarHBondContact CZ3-O 3.39Å; Y74-C98 HydrophobicContact CE1-CB 4.02Å; Y74-C98 PolarHBondContact OH-SG 3.43Å; L75-C98 HydrophobicContact CD2-CB 3.76Å; D94-C98 PolarHBondContact O-N 3.39Å; D94-C98 PolarHBondContact O-SG 3.17Å; V95-C98 WeakPolarHBondContact O-CB 3.49Å; V95-C98 PolarHBondContact O-N 3.36Å; N96-C98 VanDerWaalsContact C-N 3.32Å; N96-C98 PolarHBondContact O-N 3.29Å; C98-R101 PolarHBondContact O-N 2.72Å; C98-A102 PolarHBondContact O-N 3.4Å
99	H	89.3	Confident	87.2	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-46.3	176	-85.1	-75.3	0	0	0	111.7	L75 V95 N96 R101 A102 F103 Y116	L75-H99 HydrophobicContact CD2-CB 4.35Å; V95-H99 PolarHBondContact O-CD2 3.27Å; V95-H99 VanDerWaalsContact O-CD2 3.31Å; V95-H99 PolarHBondContact O-N 2.82Å; N96-H99 WeakPolarHBondContact O-CB 3.47Å; N96-H99 PolarHBondContact O-N 2.94Å; N96-H99 VanDerWaalsContact O-N 3.13Å; H99-R101 VanDerWaalsContact C-N 3.31Å; H99-R101 PolarHBondContact O-N 3.42Å; H99-A102 WeakPolarHBondContact O-CB 3.24Å; H99-A102 PolarHBondContact O-N 2.97Å; H99-F103 HydrophobicContact CB-CE2 4.23Å; H99-F103 WeakPolarHBondContact O-CD2 3.38Å; H99-F103 PolarHBondContact O-N 2.69Å; H99-F103 VanDerWaalsContact O-N 3.13Å; H99-Y116 HydrophobicContact CB-CD1 4.49Å; H99-Y116 HydrophobicContact CB-CD2 3.46Å; H99-Y116 VanDerWaalsContact CB-CD2 3.46Å; H99-Y116 HydrophobicContact CB-CE1 4.45Å; H99-Y116 HydrophobicContact CB-CE2 3.49Å; H99-Y116 VanDerWaalsContact CB-CE2 3.49Å; H99-Y116 HydrophobicContact CB-CG 3.98Å; H99-Y116 AromaticContact CD2-CD2 3.6Å; H99-Y116 AromaticContact CG-CD2 3.35Å; H99-Y116 AromaticContact CG-CE2 3.85Å; H99-Y116 AromaticContact CG-CG 3.92Å; H99-Y116 AromaticContact ND1-CD2 3.78Å; H99-Y116 AromaticContact ND1-CG 3.95Å
100	E	90.2	Very high	87.4	Confident	42 Å²	42	51.4 Å²	51.4	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-41.5	177.7	-69	-61.5	157.7	0	0	112	N96 N97 A102 F103 V104 Y116 H128 R135	N96-E100 WeakPolarHBondContact O-CG 3.48Å; N96-E100 PolarHBondContact O-N 2.92Å; N97-E100 PolarHBondContact O-N 2.79Å; E100-A102 VanDerWaalsContact C-N 3.32Å; E100-A102 PolarHBondContact O-N 3.46Å; E100-F103 PolarHBondContact O-N 3.46Å; E100-V104 PolarHBondContact O-N 3.35Å; E100-Y116 WeakPolarHBondContact OE1-CE1 3.28Å; E100-Y116 PolarHBondContact OE1-OH 2.83Å; E100-H128 IonicContact OE1-CE1 2.76Å; E100-R135 IonicContact OE1-NH1 3.6Å; E100-R135 PolarHBondContact OE1-NH1 3.44Å; E100-R135 IonicContact OE2-CZ 2.95Å; E100-R135 IonicContact OE2-NH1 3Å; E100-R135 PolarHBondContact OE2-NH1 2.98Å; E100-R135 IonicContact OE2-NH2 3.92Å; E100-R135 PolarHBondContact OE2-NH2 3.3Å
101	R	88.7	Confident	87.5	Confident	96 Å²	96	53.5 Å²	53.5	36%	0.362	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-36.2	173.9	-72.1	169.4	60.1	-158	-4.9	112.7	E58 W71 N97 C98 H99 F103 V104	E58-R101 VanDerWaalsContact CD-NH1 3.28Å; E58-R101 IonicContact OE1-CZ 2.91Å; E58-R101 IonicContact OE1-NH1 2.86Å; E58-R101 PolarHBondContact OE1-NH1 3.23Å; E58-R101 IonicContact OE1-NH2 3.84Å; E58-R101 IonicContact OE2-CZ 3.4Å; E58-R101 IonicContact OE2-NH1 3.83Å; E58-R101 PolarHBondContact OE2-NH1 2.87Å; E58-R101 VanDerWaalsContact OE2-NH1 3.09Å; E58-R101 IonicContact OE2-NH2 3.01Å; E58-R101 PolarHBondContact OE2-NH2 2.84Å; W71-R101 HydrophobicContact CH2-CB 3.69Å; W71-R101 HydrophobicContact CZ2-CB 4.46Å; W71-R101 HydrophobicContact CZ3-CB 4.37Å; N97-R101 WeakPolarHBondContact O-CB 3.37Å; N97-R101 VanDerWaalsContact O-CG 3.26Å; N97-R101 WeakPolarHBondContact O-CG 3.33Å; N97-R101 PolarHBondContact O-N 2.9Å; C98-R101 PolarHBondContact O-N 2.72Å; H99-R101 VanDerWaalsContact C-N 3.31Å; H99-R101 PolarHBondContact O-N 3.42Å; R101-F103 VanDerWaalsContact C-N 3.33Å; R101-F103 PolarHBondContact O-N 2.96Å; R101-V104 WeakPolarHBondContact O-CB 3.47Å; R101-V104 PolarHBondContact O-N 2.99Å
102	A	89.2	Confident	87.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-39.6	176.2	0	0	0	0	0	111.7	W71 L75 C98 H99 E100 V104 F105 M106	W71-A102 HydrophobicContact CD2-CB 3.65Å; W71-A102 HydrophobicContact CE3-CB 3.46Å; W71-A102 VanDerWaalsContact CE3-CB 3.46Å; W71-A102 HydrophobicContact CG-CB 4.17Å; W71-A102 HydrophobicContact CH2-CB 4.36Å; W71-A102 HydrophobicContact CZ3-CB 3.84Å; L75-A102 HydrophobicContact CD1-CB 3.93Å; C98-A102 PolarHBondContact O-N 3.4Å; H99-A102 WeakPolarHBondContact O-CB 3.24Å; H99-A102 PolarHBondContact O-N 2.97Å; E100-A102 VanDerWaalsContact C-N 3.32Å; E100-A102 PolarHBondContact O-N 3.46Å; A102-V104 VanDerWaalsContact C-N 3.3Å; A102-V104 PolarHBondContact O-N 3.47Å; A102-F105 PolarHBondContact O-N 3.04Å; A102-M106 WeakPolarHBondContact O-CB 3.36Å; A102-M106 PolarHBondContact O-N 3.26Å
103	F	88.3	Confident	87.9	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-23.2	-178.4	-67.5	-58.4	0	0	0	114.1	H99 E100 R101 F105 H107 L112 W113 Y116	H99-F103 HydrophobicContact CB-CE2 4.23Å; H99-F103 WeakPolarHBondContact O-CD2 3.38Å; H99-F103 PolarHBondContact O-N 2.69Å; H99-F103 VanDerWaalsContact O-N 3.13Å; E100-F103 PolarHBondContact O-N 3.46Å; R101-F103 VanDerWaalsContact C-N 3.33Å; R101-F103 PolarHBondContact O-N 2.96Å; F103-F105 PolarHBondContact O-N 3.33Å; F103-H107 WeakPolarHBondContact O-CB 3.23Å; F103-H107 PolarHBondContact O-N 2.99Å; F103-L112 HydrophobicContact CE1-CB 3.82Å; F103-L112 HydrophobicContact CZ-CB 4.24Å; F103-W113 HydrophobicContact CB-CZ2 4.44Å; F103-W113 HydrophobicContact CD1-CD2 4.01Å; F103-W113 AromaticContact CD1-CE2 3.57Å; F103-W113 HydrophobicContact CD1-CE3 4.39Å; F103-W113 AromaticContact CD1-CH2 4Å; F103-W113 HydrophobicContact CD1-CH2 4Å; F103-W113 AromaticContact CD1-CZ2 3.58Å; F103-W113 HydrophobicContact CD1-CZ2 3.58Å; F103-W113 HydrophobicContact CD1-CZ3 4.38Å; F103-W113 AromaticContact CD1-NE1 3.96Å; F103-W113 HydrophobicContact CD2-CH2 4.12Å; F103-W113 HydrophobicContact CD2-CZ3 4.19Å; F103-W113 AromaticContact CE1-CD1 3.96Å; F103-W113 AromaticContact CE1-CD2 3.4Å; F103-W113 HydrophobicContact CE1-CD2 3.4Å; F103-W113 AromaticContact CE1-CE2 3.45Å; F103-W113 VanDerWaalsContact CE1-CE2 3.45Å; F103-W113 AromaticContact CE1-CE3 3.78Å; F103-W113 HydrophobicContact CE1-CE3 3.78Å; F103-W113 AromaticContact CE1-CG 3.77Å; F103-W113 HydrophobicContact CE1-CG 3.77Å; F103-W113 HydrophobicContact CE1-CH2 4.22Å; F103-W113 AromaticContact CE1-CZ2 3.89Å; F103-W113 HydrophobicContact CE1-CZ2 3.89Å; F103-W113 HydrophobicContact CE1-CZ3 4.17Å; F103-W113 AromaticContact CE1-NE1 3.8Å; F103-W113 HydrophobicContact CE2-CE3 4.1Å; F103-W113 HydrophobicContact CE2-CH2 4.37Å; F103-W113 HydrophobicContact CE2-CZ3 4.01Å; F103-W113 AromaticContact CG-CH2 3.95Å; F103-W113 HydrophobicContact CG-CH2 3.95Å; F103-W113 AromaticContact CG-CZ2 3.94Å; F103-W113 HydrophobicContact CG-CZ2 3.94Å; F103-W113 HydrophobicContact CG-CZ3 4.4Å; F103-W113 AromaticContact CZ-CD2 3.72Å; F103-W113 HydrophobicContact CZ-CD2 3.72Å; F103-W113 AromaticContact CZ-CE3 3.62Å; F103-W113 HydrophobicContact CZ-CE3 3.62Å; F103-W113 HydrophobicContact CZ-CG 4.23Å; F103-W113 HydrophobicContact CZ-CH2 4.4Å; F103-W113 AromaticContact CZ-CZ3 3.98Å; F103-W113 HydrophobicContact CZ-CZ3 3.98Å; F103-Y116 HydrophobicContact CD2-CD1 4.34Å; F103-Y116 HydrophobicContact CD2-CE1 4.4Å; F103-Y116 AromaticContact CE2-CD1 3.29Å; F103-Y116 HydrophobicContact CE2-CD1 3.29Å; F103-Y116 AromaticContact CE2-CE1 3.73Å; F103-Y116 HydrophobicContact CE2-CE1 3.73Å; F103-Y116 AromaticContact CE2-CG 3.83Å; F103-Y116 HydrophobicContact CE2-CG 3.83Å; F103-Y116 AromaticContact CZ-CD1 3.81Å; F103-Y116 HydrophobicContact CZ-CD1 3.81Å; F103-Y116 HydrophobicContact CZ-CG 4.16Å
104	V	87.4	Confident	88.2	Confident	104 Å²	104	49.4 Å²	49.4	63%	0.63	23%	0.234	S	C	*	.	H	α-helix	trans	-52.8	-39.7	172.4	178.3	0	0	0	0	110.7	E100 R101 A102	E100-V104 PolarHBondContact O-N 3.35Å; R101-V104 WeakPolarHBondContact O-CB 3.47Å; R101-V104 PolarHBondContact O-N 2.99Å; A102-V104 VanDerWaalsContact C-N 3.3Å; A102-V104 PolarHBondContact O-N 3.47Å
105	F	84.6	Confident	88.3	Confident	100 Å²	100	46 Å²	46	44%	0.439	22%	0.215	S	C	.	.	H	α-helix	trans	-100.8	-34.5	179.8	-55	-76.1	0	0	0	113	P65 A102 F103	P65-F105 HydrophobicContact CB-CD1 4.03Å; P65-F105 HydrophobicContact CB-CD2 3.8Å; P65-F105 HydrophobicContact CB-CE1 3.86Å; P65-F105 HydrophobicContact CB-CE2 3.61Å; P65-F105 HydrophobicContact CB-CG 4Å; P65-F105 HydrophobicContact CB-CZ 3.64Å; P65-F105 HydrophobicContact CG-CE1 4.23Å; P65-F105 HydrophobicContact CG-CZ 4.32Å; A102-F105 PolarHBondContact O-N 3.04Å; F103-F105 PolarHBondContact O-N 3.33Å
106	M	83.8	Confident	88.3	Confident	24 Å²	24	46 Å²	46	12%	0.118	22%	0.215	C	C	.	.	H	α-helix	trans	-118.5	35.2	-165.6	-57.6	-61.2	-61.8	0	0	114.5	Y68 A102 K108 M109 L112	Y68-M106 HydrophobicContact CD2-CE 4.21Å; Y68-M106 HydrophobicContact CG-CE 4.48Å; A102-M106 WeakPolarHBondContact O-CB 3.36Å; A102-M106 PolarHBondContact O-N 3.26Å; M106-K108 PolarHBondContact O-N 3.48Å; M106-M109 HydrophobicContact CE-CE 4.41Å; M106-M109 HydrophobicContact CE-CG 3.76Å; M106-M109 PolarHBondContact O-N 3.46Å; M106-L112 HydrophobicContact CB-CD1 3.75Å
107	H	87.2	Confident	88.3	Confident	74 Å²	74	45.6 Å²	45.6	34%	0.343	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.2	-179.1	63	-83.5	0	0	0	115.4	F103 W113 A139	F103-H107 WeakPolarHBondContact O-CB 3.23Å; F103-H107 PolarHBondContact O-N 2.99Å; H107-W113 HydrophobicContact CB-CZ2 4.39Å; H107-W113 PolarHBondContact O-NE1 3.04Å; H107-A139 HydrophobicContact CB-CB 4.26Å
108	K	86.2	Confident	88.3	Confident	139 Å²	139	44.8 Å²	44.8	60%	0.604	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.4	-178.2	-63.6	-172.5	178.8	-179.5	0	114.8	M106 P110 L140	M106-K108 PolarHBondContact O-N 3.48Å; K108-P110 WeakPolarHBondContact O-CD 3.25Å; K108-L140 VanDerWaalsContact O-CD2 3.29Å; K108-L140 WeakPolarHBondContact O-CD2 3.33Å
109	M	85.6	Confident	88.2	Confident	82 Å²	82	45.2 Å²	45.2	40%	0.404	21%	0.208	S	C	.	.			trans	-99.1	110.2	-173.1	-64.5	-63.3	149.4	0	0	111.2	Y68 M106 R111 L112	Y68-M109 HydrophobicContact CD2-CG 4.39Å; M106-M109 HydrophobicContact CE-CE 4.41Å; M106-M109 HydrophobicContact CE-CG 3.76Å; M106-M109 PolarHBondContact O-N 3.46Å; M109-R111 VanDerWaalsContact C-N 3.28Å; M109-R111 PolarHBondContact O-N 2.81Å; M109-L112 HydrophobicContact CB-CD1 4.29Å; M109-L112 HydrophobicContact CB-CG 4.36Å; M109-L112 PolarHBondContact O-N 3.04Å
110	P	86.5	Confident	88.2	Confident	16 Å²	16	45.1 Å²	45.1	10%	0.104	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-35.1	-176.4	-26.2	34.1	0	0	0	113.9	K108 L112 W113 L114 L140	K108-P110 WeakPolarHBondContact O-CD 3.25Å; P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 2.98Å; P110-W113 WeakPolarHBondContact O-CB 3.41Å; P110-W113 PolarHBondContact O-N 3.19Å; P110-W113 VanDerWaalsContact O-N 3.11Å; P110-L114 WeakPolarHBondContact O-CG 3.43Å; P110-L114 PolarHBondContact O-N 3.05Å; P110-L140 HydrophobicContact CB-CD1 4.28Å; P110-L140 HydrophobicContact CG-CD1 4.32Å; P110-L140 HydrophobicContact CG-CD2 3.92Å
111	R	87.7	Confident	87.9	Confident	133 Å²	133	44.9 Å²	44.9	50%	0.502	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-39.3	-174.5	-169.7	66.1	-170.5	-151.7	-2.2	112.4	Y72 M109 W113 L114 D115	Y72-R111 HydrophobicContact CE2-CG 4.44Å; M109-R111 VanDerWaalsContact C-N 3.28Å; M109-R111 PolarHBondContact O-N 2.81Å; R111-W113 VanDerWaalsContact C-N 3.3Å; R111-W113 PolarHBondContact O-N 2.89Å; R111-L114 PolarHBondContact O-N 2.85Å; R111-D115 IonicContact CZ-OD1 2.99Å; R111-D115 IonicContact NE-OD1 2.98Å; R111-D115 PolarHBondContact NE-OD1 2.91Å; R111-D115 IonicContact NH2-OD1 3.83Å; R111-D115 WeakPolarHBondContact O-CB 3.49Å; R111-D115 PolarHBondContact O-N 2.82Å
112	L	88.8	Confident	87.7	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-38.4	175.7	-61.6	179.7	0	0	0	111.3	Y68 Y72 L75 F103 M106 M109 P110 Y116	Y68-L112 HydrophobicContact CD2-CD1 4.09Å; Y68-L112 HydrophobicContact CD2-CD2 4.37Å; Y68-L112 HydrophobicContact CD2-CG 4.28Å; Y68-L112 HydrophobicContact CE2-CD1 4.08Å; Y68-L112 HydrophobicContact CE2-CD2 3.74Å; Y68-L112 HydrophobicContact CE2-CG 3.75Å; Y72-L112 HydrophobicContact CD2-CD2 4.06Å; L75-L112 HydrophobicContact CD1-CD2 4.23Å; F103-L112 HydrophobicContact CE1-CB 3.82Å; F103-L112 HydrophobicContact CZ-CB 4.24Å; M106-L112 HydrophobicContact CB-CD1 3.75Å; M109-L112 HydrophobicContact CB-CD1 4.29Å; M109-L112 HydrophobicContact CB-CG 4.36Å; M109-L112 PolarHBondContact O-N 3.04Å; P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 2.98Å; L112-Y116 WeakPolarHBondContact O-CB 3.18Å; L112-Y116 PolarHBondContact O-N 3.49Å
113	W	91.3	Very high	87.5	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-47.8	174.8	-72.9	110.6	0	0	0	112.3	F103 H107 P110 R111 D115 Y116 C117 R135 A136 A139 L140	F103-W113 HydrophobicContact CB-CZ2 4.44Å; F103-W113 HydrophobicContact CD1-CD2 4.01Å; F103-W113 AromaticContact CD1-CE2 3.57Å; F103-W113 HydrophobicContact CD1-CE3 4.39Å; F103-W113 AromaticContact CD1-CH2 4Å; F103-W113 HydrophobicContact CD1-CH2 4Å; F103-W113 AromaticContact CD1-CZ2 3.58Å; F103-W113 HydrophobicContact CD1-CZ2 3.58Å; F103-W113 HydrophobicContact CD1-CZ3 4.38Å; F103-W113 AromaticContact CD1-NE1 3.96Å; F103-W113 HydrophobicContact CD2-CH2 4.12Å; F103-W113 HydrophobicContact CD2-CZ3 4.19Å; F103-W113 AromaticContact CE1-CD1 3.96Å; F103-W113 AromaticContact CE1-CD2 3.4Å; F103-W113 HydrophobicContact CE1-CD2 3.4Å; F103-W113 AromaticContact CE1-CE2 3.45Å; F103-W113 VanDerWaalsContact CE1-CE2 3.45Å; F103-W113 AromaticContact CE1-CE3 3.78Å; F103-W113 HydrophobicContact CE1-CE3 3.78Å; F103-W113 AromaticContact CE1-CG 3.77Å; F103-W113 HydrophobicContact CE1-CG 3.77Å; F103-W113 HydrophobicContact CE1-CH2 4.22Å; F103-W113 AromaticContact CE1-CZ2 3.89Å; F103-W113 HydrophobicContact CE1-CZ2 3.89Å; F103-W113 HydrophobicContact CE1-CZ3 4.17Å; F103-W113 AromaticContact CE1-NE1 3.8Å; F103-W113 HydrophobicContact CE2-CE3 4.1Å; F103-W113 HydrophobicContact CE2-CH2 4.37Å; F103-W113 HydrophobicContact CE2-CZ3 4.01Å; F103-W113 AromaticContact CG-CH2 3.95Å; F103-W113 HydrophobicContact CG-CH2 3.95Å; F103-W113 AromaticContact CG-CZ2 3.94Å; F103-W113 HydrophobicContact CG-CZ2 3.94Å; F103-W113 HydrophobicContact CG-CZ3 4.4Å; F103-W113 AromaticContact CZ-CD2 3.72Å; F103-W113 HydrophobicContact CZ-CD2 3.72Å; F103-W113 AromaticContact CZ-CE3 3.62Å; F103-W113 HydrophobicContact CZ-CE3 3.62Å; F103-W113 HydrophobicContact CZ-CG 4.23Å; F103-W113 HydrophobicContact CZ-CH2 4.4Å; F103-W113 AromaticContact CZ-CZ3 3.98Å; F103-W113 HydrophobicContact CZ-CZ3 3.98Å; H107-W113 HydrophobicContact CB-CZ2 4.39Å; H107-W113 PolarHBondContact O-NE1 3.04Å; P110-W113 WeakPolarHBondContact O-CB 3.41Å; P110-W113 PolarHBondContact O-N 3.19Å; P110-W113 VanDerWaalsContact O-N 3.11Å; R111-W113 VanDerWaalsContact C-N 3.3Å; R111-W113 PolarHBondContact O-N 2.89Å; W113-D115 VanDerWaalsContact C-N 3.33Å; W113-D115 PolarHBondContact O-N 3.18Å; W113-Y116 HydrophobicContact CE3-CD1 4.46Å; W113-Y116 HydrophobicContact CZ3-CD1 4.46Å; W113-Y116 PolarHBondContact O-N 3.27Å; W113-C117 VanDerWaalsContact O-CB 3.26Å; W113-C117 WeakPolarHBondContact O-CB 3.23Å; W113-C117 PolarHBondContact O-N 2.9Å; W113-C117 PolarHBondContact O-SG 3.38Å; W113-R135 HydrophobicContact CH2-CB 3.88Å; W113-R135 HydrophobicContact CZ3-CB 4.17Å; W113-A136 HydrophobicContact CB-CB 4.04Å; W113-A136 HydrophobicContact CD2-CB 3.57Å; W113-A136 HydrophobicContact CE3-CB 3.62Å; W113-A136 HydrophobicContact CG-CB 3.79Å; W113-A136 HydrophobicContact CZ3-CB 4.28Å; W113-A139 HydrophobicContact CZ2-CB 4.1Å; W113-L140 HydrophobicContact CG-CD1 4.31Å
114	L	90.4	Very high	87.1	Confident	25 Å²	25	48.5 Å²	48.5	13%	0.131	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-46.3	178.3	-62.1	172.9	0	0	0	110.8	P110 R111 Y116 C117 Q118 I148 L151	P110-L114 WeakPolarHBondContact O-CG 3.43Å; P110-L114 PolarHBondContact O-N 3.05Å; R111-L114 PolarHBondContact O-N 2.85Å; L114-Y116 PolarHBondContact O-N 3.47Å; L114-C117 PolarHBondContact O-N 3.49Å; L114-Q118 WeakPolarHBondContact O-CB 3.42Å; L114-Q118 VanDerWaalsContact O-CG 3.22Å; L114-Q118 WeakPolarHBondContact O-CG 3.11Å; L114-Q118 PolarHBondContact O-N 2.98Å; L114-I148 HydrophobicContact CD2-CG1 4.2Å; L114-L151 HydrophobicContact CB-CD1 3.94Å; L114-L151 HydrophobicContact CD2-CD1 3.39Å; L114-L151 HydrophobicContact CD2-CG 4.13Å; L114-L151 HydrophobicContact CG-CD1 4.15Å
115	D	89.7	Confident	86.8	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.032	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-39.8	178.6	-85.2	29.5	0	0	0	112.5	Y72 R79 R111 W113 F119	Y72-D115 WeakPolarHBondContact CE2-OD2 3.44Å; R79-D115 IonicContact CZ-OD2 3.9Å; R79-D115 VanDerWaalsContact NH1-CB 3.31Å; R79-D115 PolarHBondContact NH1-O 2.87Å; R79-D115 IonicContact NH1-OD2 3.17Å; R79-D115 PolarHBondContact NH1-OD2 2.73Å; R79-D115 IonicContact NH2-OD2 2.92Å; R79-D115 PolarHBondContact NH2-OD2 2.83Å; R111-D115 IonicContact CZ-OD1 2.99Å; R111-D115 IonicContact NE-OD1 2.98Å; R111-D115 PolarHBondContact NE-OD1 2.91Å; R111-D115 IonicContact NH2-OD1 3.83Å; R111-D115 WeakPolarHBondContact O-CB 3.49Å; R111-D115 PolarHBondContact O-N 2.82Å; W113-D115 VanDerWaalsContact C-N 3.33Å; W113-D115 PolarHBondContact O-N 3.18Å; D115-F119 WeakPolarHBondContact O-CB 3.48Å; D115-F119 PolarHBondContact O-N 3.05Å
116	Y	90.8	Very high	86.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.4	-46.8	176.6	-179.9	-138.2	0	0	0	111.5	H99 E100 F103 L112 W113 L114 Q118 F119 L120 H128 T132	H99-Y116 HydrophobicContact CB-CD1 4.49Å; H99-Y116 HydrophobicContact CB-CD2 3.46Å; H99-Y116 VanDerWaalsContact CB-CD2 3.46Å; H99-Y116 HydrophobicContact CB-CE1 4.45Å; H99-Y116 HydrophobicContact CB-CE2 3.49Å; H99-Y116 VanDerWaalsContact CB-CE2 3.49Å; H99-Y116 HydrophobicContact CB-CG 3.98Å; H99-Y116 AromaticContact CD2-CD2 3.6Å; H99-Y116 AromaticContact CG-CD2 3.35Å; H99-Y116 AromaticContact CG-CE2 3.85Å; H99-Y116 AromaticContact CG-CG 3.92Å; H99-Y116 AromaticContact ND1-CD2 3.78Å; H99-Y116 AromaticContact ND1-CG 3.95Å; E100-Y116 WeakPolarHBondContact OE1-CE1 3.28Å; E100-Y116 PolarHBondContact OE1-OH 2.83Å; F103-Y116 HydrophobicContact CD2-CD1 4.34Å; F103-Y116 HydrophobicContact CD2-CE1 4.4Å; F103-Y116 AromaticContact CE2-CD1 3.29Å; F103-Y116 HydrophobicContact CE2-CD1 3.29Å; F103-Y116 AromaticContact CE2-CE1 3.73Å; F103-Y116 HydrophobicContact CE2-CE1 3.73Å; F103-Y116 AromaticContact CE2-CG 3.83Å; F103-Y116 HydrophobicContact CE2-CG 3.83Å; F103-Y116 AromaticContact CZ-CD1 3.81Å; F103-Y116 HydrophobicContact CZ-CD1 3.81Å; F103-Y116 HydrophobicContact CZ-CG 4.16Å; L112-Y116 WeakPolarHBondContact O-CB 3.18Å; L112-Y116 PolarHBondContact O-N 3.49Å; W113-Y116 HydrophobicContact CE3-CD1 4.46Å; W113-Y116 HydrophobicContact CZ3-CD1 4.46Å; W113-Y116 PolarHBondContact O-N 3.27Å; L114-Y116 PolarHBondContact O-N 3.47Å; Y116-Q118 VanDerWaalsContact C-N 3.32Å; Y116-Q118 PolarHBondContact O-N 3.29Å; Y116-F119 PolarHBondContact O-N 3.01Å; Y116-F119 VanDerWaalsContact O-N 3.16Å; Y116-L120 HydrophobicContact CD1-CD1 4.15Å; Y116-L120 HydrophobicContact CD2-CD1 4.08Å; Y116-L120 HydrophobicContact CD2-CD2 4.43Å; Y116-L120 HydrophobicContact CD2-CG 3.88Å; Y116-L120 HydrophobicContact CE1-CD1 3.81Å; Y116-L120 HydrophobicContact CE2-CD1 3.65Å; Y116-L120 HydrophobicContact CE2-CD2 3.8Å; Y116-L120 HydrophobicContact CE2-CG 3.63Å; Y116-L120 HydrophobicContact CG-CD1 4.33Å; Y116-L120 HydrophobicContact CG-CG 4.48Å; Y116-L120 WeakPolarHBondContact O-CG 3.33Å; Y116-L120 PolarHBondContact O-N 3.48Å; Y116-H128 AromaticContact CZ-NE2 3.85Å; Y116-H128 PolarHBondContact OH-NE2 3.41Å; Y116-T132 HydrophobicContact CD1-CG2 4.15Å; Y116-T132 HydrophobicContact CE1-CG2 3.42Å; Y116-T132 VanDerWaalsContact CE1-CG2 3.42Å
117	C	89.3	Confident	86.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-43	177	-71.6	0	0	0	0	111.1	W113 L114 L120 M121 F133	W113-C117 VanDerWaalsContact O-CB 3.26Å; W113-C117 WeakPolarHBondContact O-CB 3.23Å; W113-C117 PolarHBondContact O-N 2.9Å; W113-C117 PolarHBondContact O-SG 3.38Å; L114-C117 PolarHBondContact O-N 3.49Å; C117-L120 PolarHBondContact O-N 3.39Å; C117-M121 VanDerWaalsContact O-CG 3.22Å; C117-M121 WeakPolarHBondContact O-CG 3.16Å; C117-M121 PolarHBondContact O-N 3.42Å; C117-F133 HydrophobicContact CB-CD1 4.24Å; C117-F133 HydrophobicContact CB-CE1 3.65Å; C117-F133 HydrophobicContact CB-CE2 4.05Å; C117-F133 HydrophobicContact CB-CZ 3.55Å
118	Q	89	Confident	86.8	Confident	77 Å²	77	47.1 Å²	47.1	36%	0.36	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-47.2	173.1	-75.9	173.1	-4	0	0	111.7	L114 Y116 L120 M121 D122 L151	L114-Q118 WeakPolarHBondContact O-CB 3.42Å; L114-Q118 VanDerWaalsContact O-CG 3.22Å; L114-Q118 WeakPolarHBondContact O-CG 3.11Å; L114-Q118 PolarHBondContact O-N 2.98Å; Y116-Q118 VanDerWaalsContact C-N 3.32Å; Y116-Q118 PolarHBondContact O-N 3.29Å; Q118-L120 VanDerWaalsContact C-N 3.26Å; Q118-L120 PolarHBondContact O-N 3.12Å; Q118-M121 WeakPolarHBondContact O-CB 3.12Å; Q118-M121 PolarHBondContact O-N 3.36Å; Q118-M121 VanDerWaalsContact O-N 3.12Å; Q118-D122 VanDerWaalsContact O-CG 3.32Å; Q118-D122 PolarHBondContact O-N 3.41Å; Q118-L151 HydrophobicContact CG-CD1 4.1Å
119	F	88.7	Confident	86.9	Confident	14 Å²	14	40.5 Å²	40.5	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-35.3	178	-179	-118.3	0	0	0	112.8	R79 Y92 V95 N96 D115 Y116 Q123	R79-F119 HydrophobicContact CB-CD2 4.47Å; R79-F119 HydrophobicContact CB-CE2 4.42Å; R79-F119 HydrophobicContact CG-CD1 4.3Å; R79-F119 HydrophobicContact CG-CD2 3.77Å; R79-F119 HydrophobicContact CG-CE1 4.41Å; R79-F119 HydrophobicContact CG-CE2 3.91Å; R79-F119 HydrophobicContact CG-CG 3.98Å; R79-F119 HydrophobicContact CG-CZ 4.24Å; Y92-F119 HydrophobicContact CD1-CE1 4.31Å; Y92-F119 AromaticContact CD1-CE2 3.97Å; Y92-F119 HydrophobicContact CD1-CE2 3.97Å; Y92-F119 AromaticContact CD1-CZ 3.5Å; Y92-F119 HydrophobicContact CD1-CZ 3.5Å; Y92-F119 VanDerWaalsContact CD1-CZ 3.5Å; Y92-F119 AromaticContact CE1-CE2 3.7Å; Y92-F119 HydrophobicContact CE1-CE2 3.7Å; Y92-F119 AromaticContact CE1-CZ 3.75Å; Y92-F119 HydrophobicContact CE1-CZ 3.75Å; V95-F119 HydrophobicContact CB-CE1 3.84Å; V95-F119 HydrophobicContact CB-CZ 4.01Å; V95-F119 HydrophobicContact CG1-CD1 4.21Å; V95-F119 HydrophobicContact CG1-CE1 3.43Å; V95-F119 VanDerWaalsContact CG1-CE1 3.43Å; V95-F119 HydrophobicContact CG1-CZ 3.74Å; N96-F119 WeakPolarHBondContact OD1-CE1 3.37Å; D115-F119 WeakPolarHBondContact O-CB 3.48Å; D115-F119 PolarHBondContact O-N 3.05Å; Y116-F119 PolarHBondContact O-N 3.01Å; Y116-F119 VanDerWaalsContact O-N 3.16Å; F119-Q123 WeakPolarHBondContact O-CG 3.15Å; F119-Q123 PolarHBondContact O-N 3.16Å
120	L	87.8	Confident	87	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-75.2	-32.5	175.2	-69.3	-177.1	0	0	0	112.8	N96 Y116 C117 Q118 D122 Q123 G124 H128 T129 T132	N96-L120 VanDerWaalsContact OD1-CD2 3.3Å; N96-L120 WeakPolarHBondContact OD1-CD2 3.26Å; Y116-L120 HydrophobicContact CD1-CD1 4.15Å; Y116-L120 HydrophobicContact CD2-CD1 4.08Å; Y116-L120 HydrophobicContact CD2-CD2 4.43Å; Y116-L120 HydrophobicContact CD2-CG 3.88Å; Y116-L120 HydrophobicContact CE1-CD1 3.81Å; Y116-L120 HydrophobicContact CE2-CD1 3.65Å; Y116-L120 HydrophobicContact CE2-CD2 3.8Å; Y116-L120 HydrophobicContact CE2-CG 3.63Å; Y116-L120 HydrophobicContact CG-CD1 4.33Å; Y116-L120 HydrophobicContact CG-CG 4.48Å; Y116-L120 WeakPolarHBondContact O-CG 3.33Å; Y116-L120 PolarHBondContact O-N 3.48Å; C117-L120 PolarHBondContact O-N 3.39Å; Q118-L120 VanDerWaalsContact C-N 3.26Å; Q118-L120 PolarHBondContact O-N 3.12Å; L120-D122 VanDerWaalsContact C-N 3.29Å; L120-Q123 PolarHBondContact O-N 3.39Å; L120-G124 PolarHBondContact O-N 2.91Å; L120-H128 VanDerWaalsContact CD1-CD2 3.43Å; L120-H128 WeakPolarHBondContact CD1-CD2 3.49Å; L120-H128 VanDerWaalsContact CD2-CD2 3.45Å; L120-H128 WeakPolarHBondContact CD2-CD2 3.28Å; L120-T129 HydrophobicContact CB-CG2 3.33Å; L120-T129 VanDerWaalsContact O-CG2 3.25Å; L120-T129 WeakPolarHBondContact O-CG2 3.12Å; L120-T132 HydrophobicContact CD1-CG2 3.62Å; L120-T132 WeakPolarHBondContact CD1-OG1 3.44Å
121	M	85.5	Confident	87.2	Confident	37 Å²	37	47.3 Å²	47.3	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-42.8	171.1	-73	177.1	66.7	0	0	110.2	C117 Q118 Q123 G124 T129 F133 F155	C117-M121 VanDerWaalsContact O-CG 3.22Å; C117-M121 WeakPolarHBondContact O-CG 3.16Å; C117-M121 PolarHBondContact O-N 3.42Å; Q118-M121 WeakPolarHBondContact O-CB 3.12Å; Q118-M121 PolarHBondContact O-N 3.36Å; Q118-M121 VanDerWaalsContact O-N 3.12Å; M121-Q123 PolarHBondContact O-N 3.27Å; M121-G124 PolarHBondContact O-N 2.91Å; M121-G124 VanDerWaalsContact O-N 3.09Å; M121-T129 HydrophobicContact CG-CG2 4.43Å; M121-F133 HydrophobicContact SD-CZ 4.22Å; M121-F155 HydrophobicContact CE-CB 3.69Å; M121-F155 HydrophobicContact CE-CD2 4.22Å; M121-F155 HydrophobicContact CE-CG 4.46Å; M121-F155 HydrophobicContact CG-CB 4.31Å; M121-F155 HydrophobicContact CG-CD2 3.71Å; M121-F155 HydrophobicContact CG-CE2 4.49Å; M121-F155 HydrophobicContact CG-CG 4.31Å; M121-F155 HydrophobicContact SD-CB 3.77Å; M121-F155 HydrophobicContact SD-CD2 4.29Å; M121-F155 HydrophobicContact SD-CG 4.4Å
122	D	84.4	Confident	87.3	Confident	125 Å²	125	41 Å²	41	67%	0.668	20%	0.203	S	C	*	.	H	α-helix	trans	-63.9	-27.3	176.4	-61.9	-22	0	0	0	112.7	Q118 L120 G124	Q118-D122 VanDerWaalsContact O-CG 3.32Å; Q118-D122 PolarHBondContact O-N 3.41Å; L120-D122 VanDerWaalsContact C-N 3.29Å; D122-G124 VanDerWaalsContact C-N 3.35Å
123	Q	83.8	Confident	87.4	Confident	12 Å²	12	41 Å²	41	6%	0.056	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.8	175.5	-70.4	172.6	38.8	0	0	113.9	V87 Y92 N96 F119 L120 M121 R125	V87-Q123 HydrophobicContact CG1-CB 3.98Å; V87-Q123 HydrophobicContact CG1-CG 4.2Å; V87-Q123 WeakPolarHBondContact CG1-O 3.35Å; Y92-Q123 HydrophobicContact CD1-CG 3.52Å; Y92-Q123 HydrophobicContact CE1-CG 3.79Å; N96-Q123 PolarHBondContact ND2-OE1 3.37Å; N96-Q123 PolarHBondContact OD1-NE2 2.85Å; F119-Q123 WeakPolarHBondContact O-CG 3.15Å; F119-Q123 PolarHBondContact O-N 3.16Å; L120-Q123 PolarHBondContact O-N 3.39Å; M121-Q123 PolarHBondContact O-N 3.27Å; Q123-R125 HydrophobicContact CB-CG 4.25Å; Q123-R125 PolarHBondContact O-N 3.24Å
124	G	80.5	Confident	87.2	Confident	43 Å²	43	42.1 Å²	42.1	44%	0.443	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	13.5	-174.6	0	0	0	0	0	115	L120 M121 D122 V126	L120-G124 PolarHBondContact O-N 2.91Å; M121-G124 PolarHBondContact O-N 2.91Å; M121-G124 VanDerWaalsContact O-N 3.09Å; D122-G124 VanDerWaalsContact C-N 3.35Å; G124-V126 WeakPolarHBondContact O-CG2 3.42Å; G124-V126 PolarHBondContact O-N 3.04Å
125	R	81.3	Confident	87.2	Confident	89 Å²	89	45 Å²	45	34%	0.336	22%	0.219	S	C	.	.			trans	-80.5	77.9	178.1	-69.1	-170.7	-178.1	-155	1.8	111.3	E93 Q123 T127 H128 T129	E93-R125 IonicContact OE1-CZ 2.9Å; E93-R125 IonicContact OE1-NH1 2.67Å; E93-R125 PolarHBondContact OE1-NH1 2.94Å; E93-R125 VanDerWaalsContact OE1-NH1 3.11Å; E93-R125 IonicContact OE1-NH2 3.85Å; E93-R125 PolarHBondContact OE1-NH2 2.63Å; Q123-R125 HydrophobicContact CB-CG 4.25Å; Q123-R125 PolarHBondContact O-N 3.24Å; R125-T127 PolarHBondContact O-N 3.25Å; R125-H128 HydrophobicContact CB-CB 4.09Å; R125-H128 PolarHBondContact O-N 3.24Å; R125-T129 WeakPolarHBondContact O-CG2 3.12Å; R125-T129 PolarHBondContact O-N 2.9Å; R125-T129 PolarHBondContact O-OG1 3.11Å; R125-T129 VanDerWaalsContact O-OG1 3.13Å
126	V	83.2	Confident	87.2	Confident	36 Å²	36	44.8 Å²	44.8	22%	0.218	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-38.7	-168	-173	0	0	0	0	115.4	G124 T129 R130 F155 L161	G124-V126 WeakPolarHBondContact O-CG2 3.42Å; G124-V126 PolarHBondContact O-N 3.04Å; V126-T129 VanDerWaalsContact C-OG1 3.24Å; V126-T129 VanDerWaalsContact CA-OG1 3.26Å; V126-T129 WeakPolarHBondContact CA-OG1 3.28Å; V126-T129 PolarHBondContact O-OG1 3.24Å; V126-R130 WeakPolarHBondContact O-CB 3.47Å; V126-R130 PolarHBondContact O-N 2.98Å; V126-R130 VanDerWaalsContact O-N 3.16Å; V126-F155 HydrophobicContact CG1-CE2 4.46Å; V126-F155 HydrophobicContact CG1-CZ 3.94Å; V126-L161 HydrophobicContact CB-CD1 4.4Å; V126-L161 HydrophobicContact CG1-CD1 3.28Å; V126-L161 HydrophobicContact CG1-CG 4.48Å
127	T	85.2	Confident	87.1	Confident	97 Å²	97	45 Å²	45	60%	0.595	22%	0.219	S	C	*	.	H	α-helix	trans	-72.4	-36.3	179.5	52.9	0	0	0	0	111.9	R125 R131	R125-T127 PolarHBondContact O-N 3.25Å; T127-R131 VanDerWaalsContact O-CG 3.29Å; T127-R131 WeakPolarHBondContact O-CG 3.47Å; T127-R131 PolarHBondContact O-N 3.46Å; T127-R131 VanDerWaalsContact O-N 3.13Å
128	H	86.8	Confident	87	Confident	51 Å²	51	53.7 Å²	53.7	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-71.3	-49.3	178.8	-170.2	50.8	0	0	0	110.7	E100 Y116 L120 R125 R130 R131 T132	E100-H128 IonicContact OE1-CE1 2.76Å; Y116-H128 AromaticContact CZ-NE2 3.85Å; Y116-H128 PolarHBondContact OH-NE2 3.41Å; L120-H128 VanDerWaalsContact CD1-CD2 3.43Å; L120-H128 WeakPolarHBondContact CD1-CD2 3.49Å; L120-H128 VanDerWaalsContact CD2-CD2 3.45Å; L120-H128 WeakPolarHBondContact CD2-CD2 3.28Å; R125-H128 HydrophobicContact CB-CB 4.09Å; R125-H128 PolarHBondContact O-N 3.24Å; H128-R130 VanDerWaalsContact C-N 3.32Å; H128-R130 PolarHBondContact O-N 2.98Å; H128-R131 PolarHBondContact O-N 3.37Å; H128-R131 VanDerWaalsContact O-N 3.15Å; H128-T132 WeakPolarHBondContact O-CG2 3.4Å; H128-T132 PolarHBondContact O-N 3.31Å; H128-T132 PolarHBondContact O-OG1 2.8Å
129	T	89	Confident	87	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-53	-47.2	173.6	48.4	0	0	0	0	111.8	L120 M121 R125 V126 R131 T132 F133 F155	L120-T129 HydrophobicContact CB-CG2 3.33Å; L120-T129 VanDerWaalsContact O-CG2 3.25Å; L120-T129 WeakPolarHBondContact O-CG2 3.12Å; M121-T129 HydrophobicContact CG-CG2 4.43Å; R125-T129 WeakPolarHBondContact O-CG2 3.12Å; R125-T129 PolarHBondContact O-N 2.9Å; R125-T129 PolarHBondContact O-OG1 3.11Å; R125-T129 VanDerWaalsContact O-OG1 3.13Å; V126-T129 VanDerWaalsContact C-OG1 3.24Å; V126-T129 VanDerWaalsContact CA-OG1 3.26Å; V126-T129 WeakPolarHBondContact CA-OG1 3.28Å; V126-T129 PolarHBondContact O-OG1 3.24Å; T129-R131 PolarHBondContact O-N 3.01Å; T129-T132 VanDerWaalsContact CA-OG1 3.3Å; T129-T132 WeakPolarHBondContact CA-OG1 3.4Å; T129-T132 PolarHBondContact O-N 3.09Å; T129-T132 PolarHBondContact O-OG1 2.98Å; T129-F133 WeakPolarHBondContact O-CD2 3.45Å; T129-F133 PolarHBondContact O-N 3.13Å; T129-F155 HydrophobicContact CG2-CE2 4.08Å; T129-F155 WeakPolarHBondContact OG1-CE2 3.22Å; T129-F155 WeakPolarHBondContact OG1-CZ 3.13Å
130	R	87.9	Confident	86.9	Confident	85 Å²	85	51.2 Å²	51.2	32%	0.321	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-48.8	178.2	-173.7	-173.5	68.2	82.6	-10.8	111.7	V126 H128 T132 F133 D134 F155	V126-R130 WeakPolarHBondContact O-CB 3.47Å; V126-R130 PolarHBondContact O-N 2.98Å; V126-R130 VanDerWaalsContact O-N 3.16Å; H128-R130 VanDerWaalsContact C-N 3.32Å; H128-R130 PolarHBondContact O-N 2.98Å; R130-T132 VanDerWaalsContact C-N 3.26Å; R130-T132 PolarHBondContact O-N 3.21Å; R130-F133 PolarHBondContact O-N 3.31Å; R130-D134 IonicContact NH1-OD2 2.79Å; R130-D134 PolarHBondContact NH1-OD2 2.88Å; R130-D134 PolarHBondContact O-N 2.95Å; R130-F155 HydrophobicContact CB-CE1 4.38Å
131	R	89.2	Confident	86.8	Confident	155 Å²	155	54.5 Å²	54.5	59%	0.585	27%	0.267	S	S	*	.	H	α-helix	trans	-61.5	-35.6	178.2	-74.2	174.2	179.3	176.2	1.4	111.6	T127 H128 T129 D134 R135	T127-R131 VanDerWaalsContact O-CG 3.29Å; T127-R131 WeakPolarHBondContact O-CG 3.47Å; T127-R131 PolarHBondContact O-N 3.46Å; T127-R131 VanDerWaalsContact O-N 3.13Å; H128-R131 PolarHBondContact O-N 3.37Å; H128-R131 VanDerWaalsContact O-N 3.15Å; T129-R131 PolarHBondContact O-N 3.01Å; R131-D134 PolarHBondContact O-N 3.37Å; R131-R135 WeakPolarHBondContact O-CB 3.23Å; R131-R135 VanDerWaalsContact O-CG 3.26Å; R131-R135 WeakPolarHBondContact O-CG 3.32Å; R131-R135 PolarHBondContact O-N 3.42Å
132	T	91.1	Very high	86.6	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-71.9	-38	176.9	54.6	0	0	0	0	112.3	Y116 L120 H128 T129 R130 R135 A136	Y116-T132 HydrophobicContact CD1-CG2 4.15Å; Y116-T132 HydrophobicContact CE1-CG2 3.42Å; Y116-T132 VanDerWaalsContact CE1-CG2 3.42Å; L120-T132 HydrophobicContact CD1-CG2 3.62Å; L120-T132 WeakPolarHBondContact CD1-OG1 3.44Å; H128-T132 WeakPolarHBondContact O-CG2 3.4Å; H128-T132 PolarHBondContact O-N 3.31Å; H128-T132 PolarHBondContact O-OG1 2.8Å; T129-T132 VanDerWaalsContact CA-OG1 3.3Å; T129-T132 WeakPolarHBondContact CA-OG1 3.4Å; T129-T132 PolarHBondContact O-N 3.09Å; T129-T132 PolarHBondContact O-OG1 2.98Å; R130-T132 VanDerWaalsContact C-N 3.26Å; R130-T132 PolarHBondContact O-N 3.21Å; T132-R135 PolarHBondContact O-N 3.46Å; T132-A136 WeakPolarHBondContact O-CB 3.49Å; T132-A136 PolarHBondContact O-N 2.93Å
133	F	89.6	Confident	86.7	Confident	1 Å²	1	57.5 Å²	57.5	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-44.5	169.8	-79.9	-69	0	0	0	111.7	C117 M121 T129 R130 R135 A136 L137 I148 L151 Y152 F155	C117-F133 HydrophobicContact CB-CD1 4.24Å; C117-F133 HydrophobicContact CB-CE1 3.65Å; C117-F133 HydrophobicContact CB-CE2 4.05Å; C117-F133 HydrophobicContact CB-CZ 3.55Å; M121-F133 HydrophobicContact SD-CZ 4.22Å; T129-F133 WeakPolarHBondContact O-CD2 3.45Å; T129-F133 PolarHBondContact O-N 3.13Å; R130-F133 PolarHBondContact O-N 3.31Å; F133-R135 VanDerWaalsContact C-N 3.28Å; F133-R135 PolarHBondContact O-N 3.02Å; F133-A136 WeakPolarHBondContact O-CB 3.22Å; F133-A136 PolarHBondContact O-N 2.91Å; F133-L137 WeakPolarHBondContact O-CG 3.34Å; F133-L137 PolarHBondContact O-N 3.24Å; F133-I148 HydrophobicContact CD1-CG2 3.82Å; F133-I148 HydrophobicContact CE1-CG2 4.2Å; F133-L151 HydrophobicContact CE1-CB 4.35Å; F133-Y152 HydrophobicContact CB-CD2 3.46Å; F133-Y152 VanDerWaalsContact CB-CD2 3.46Å; F133-Y152 HydrophobicContact CB-CE2 3.43Å; F133-Y152 VanDerWaalsContact CB-CE2 3.43Å; F133-Y152 HydrophobicContact CB-CG 4.26Å; F133-Y152 AromaticContact CD1-CD2 3.59Å; F133-Y152 HydrophobicContact CD1-CD2 3.59Å; F133-Y152 HydrophobicContact CD1-CE2 4.43Å; F133-Y152 HydrophobicContact CD1-CG 4.04Å; F133-Y152 AromaticContact CD2-CD2 3.33Å; F133-Y152 HydrophobicContact CD2-CD2 3.33Å; F133-Y152 AromaticContact CD2-CE2 3.67Å; F133-Y152 HydrophobicContact CD2-CE2 3.67Å; F133-Y152 HydrophobicContact CD2-CG 4.48Å; F133-Y152 HydrophobicContact CE1-CD2 4.07Å; F133-Y152 HydrophobicContact CE1-CG 4.45Å; F133-Y152 AromaticContact CE2-CD2 3.85Å; F133-Y152 HydrophobicContact CE2-CD2 3.85Å; F133-Y152 HydrophobicContact CE2-CE2 4.5Å; F133-Y152 AromaticContact CG-CD2 3.19Å; F133-Y152 HydrophobicContact CG-CD2 3.19Å; F133-Y152 AromaticContact CG-CE2 3.63Å; F133-Y152 HydrophobicContact CG-CE2 3.63Å; F133-Y152 HydrophobicContact CG-CG 4.06Å; F133-Y152 HydrophobicContact CZ-CD2 4.18Å; F133-F155 AromaticContact CD2-CD1 3.91Å; F133-F155 HydrophobicContact CD2-CD1 3.91Å; F133-F155 HydrophobicContact CD2-CE1 4.26Å; F133-F155 HydrophobicContact CD2-CG 4.36Å; F133-F155 HydrophobicContact CE2-CB 3.84Å; F133-F155 AromaticContact CE2-CD1 3.67Å; F133-F155 HydrophobicContact CE2-CD1 3.67Å; F133-F155 HydrophobicContact CE2-CD2 4.33Å; F133-F155 HydrophobicContact CE2-CE1 4.33Å; F133-F155 AromaticContact CE2-CG 3.66Å; F133-F155 HydrophobicContact CE2-CG 3.66Å; F133-F155 HydrophobicContact CZ-CB 4.11Å; F133-F155 HydrophobicContact CZ-CG 4.42Å
134	D	88.7	Confident	86.7	Confident	30 Å²	30	59.4 Å²	59.4	16%	0.16	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-32.2	176	-78.2	-35.4	0	0	0	112.7	R130 R131 R138 R171	R130-D134 IonicContact NH1-OD2 2.79Å; R130-D134 PolarHBondContact NH1-OD2 2.88Å; R130-D134 PolarHBondContact O-N 2.95Å; R131-D134 PolarHBondContact O-N 3.37Å; D134-R138 WeakPolarHBondContact O-CG 3.27Å; D134-R138 PolarHBondContact O-N 2.85Å; D134-R138 PolarHBondContact O-NE 3.44Å; D134-R138 VanDerWaalsContact O-NE 3.11Å; D134-R171 IonicContact OD1-NH1 3.42Å; D134-R171 PolarHBondContact OD1-NH1 2.84Å
135	R	90.1	Very high	86.9	Confident	85 Å²	85	58.3 Å²	58.3	32%	0.321	28%	0.279	S	S	.	.	H	α-helix	trans	-72.3	-41.8	172	-75.8	171	67.9	-160.6	0.5	111.4	E100 W113 R131 T132 F133 R138 A139	E100-R135 IonicContact OE1-NH1 3.6Å; E100-R135 PolarHBondContact OE1-NH1 3.44Å; E100-R135 IonicContact OE2-CZ 2.95Å; E100-R135 IonicContact OE2-NH1 3Å; E100-R135 PolarHBondContact OE2-NH1 2.98Å; E100-R135 IonicContact OE2-NH2 3.92Å; E100-R135 PolarHBondContact OE2-NH2 3.3Å; W113-R135 HydrophobicContact CH2-CB 3.88Å; W113-R135 HydrophobicContact CZ3-CB 4.17Å; R131-R135 WeakPolarHBondContact O-CB 3.23Å; R131-R135 VanDerWaalsContact O-CG 3.26Å; R131-R135 WeakPolarHBondContact O-CG 3.32Å; R131-R135 PolarHBondContact O-N 3.42Å; T132-R135 PolarHBondContact O-N 3.46Å; F133-R135 VanDerWaalsContact C-N 3.28Å; F133-R135 PolarHBondContact O-N 3.02Å; R135-R138 PolarHBondContact O-N 3.43Å; R135-A139 WeakPolarHBondContact O-CB 3.37Å; R135-A139 PolarHBondContact O-N 3.39Å
136	A	90.3	Very high	86.9	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-46.9	176.9	0	0	0	0	0	111.4	W113 T132 F133 R138 A139 L140 I148	W113-A136 HydrophobicContact CB-CB 4.04Å; W113-A136 HydrophobicContact CD2-CB 3.57Å; W113-A136 HydrophobicContact CE3-CB 3.62Å; W113-A136 HydrophobicContact CG-CB 3.79Å; W113-A136 HydrophobicContact CZ3-CB 4.28Å; T132-A136 WeakPolarHBondContact O-CB 3.49Å; T132-A136 PolarHBondContact O-N 2.93Å; F133-A136 WeakPolarHBondContact O-CB 3.22Å; F133-A136 PolarHBondContact O-N 2.91Å; A136-R138 VanDerWaalsContact C-N 3.27Å; A136-R138 PolarHBondContact O-N 2.91Å; A136-A139 PolarHBondContact O-N 3.22Å; A136-L140 WeakPolarHBondContact O-CB 3.39Å; A136-L140 WeakPolarHBondContact O-CG 3.11Å; A136-L140 PolarHBondContact O-N 3.09Å; A136-I148 HydrophobicContact CB-CD1 4Å
137	L	87.3	Confident	86.9	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-25.8	176.9	-68.8	174.6	0	0	0	113.3	F133 H145 I148 W149	F133-L137 WeakPolarHBondContact O-CG 3.34Å; F133-L137 PolarHBondContact O-N 3.24Å; L137-H145 HydrophobicContact CD2-CB 4.16Å; L137-H145 PolarHBondContact O-CE1 3.49Å; L137-H145 VanDerWaalsContact O-CE1 3.25Å; L137-H145 PolarHBondContact O-NE2 3.19Å; L137-I148 HydrophobicContact CD2-CB 4.2Å; L137-I148 HydrophobicContact CD2-CD1 4.24Å; L137-I148 HydrophobicContact CD2-CG2 4.11Å; L137-I148 HydrophobicContact CG-CG2 4.44Å; L137-W149 HydrophobicContact CD1-CH2 3.96Å; L137-W149 HydrophobicContact CD1-CZ2 3.84Å; L137-W149 HydrophobicContact CD2-CZ2 4.43Å
138	R	87.5	Confident	87	Confident	184 Å²	184	59.3 Å²	59.3	69%	0.694	28%	0.28	S	S	*	.	H	α-helix	trans	-79.9	-34.5	172.8	-79.6	-177.1	-75.9	163.8	-8	112.8	D134 R135 A136	D134-R138 WeakPolarHBondContact O-CG 3.27Å; D134-R138 PolarHBondContact O-N 2.85Å; D134-R138 PolarHBondContact O-NE 3.44Å; D134-R138 VanDerWaalsContact O-NE 3.11Å; R135-R138 PolarHBondContact O-N 3.43Å; A136-R138 VanDerWaalsContact C-N 3.27Å; A136-R138 PolarHBondContact O-N 2.91Å
139	A	88.4	Confident	87.1	Confident	30 Å²	30	57.1 Å²	57.1	25%	0.248	27%	0.27	C	S	.	.	H	α-helix	trans	-80.2	-29	-177.3	0	0	0	0	0	113.1	H107 W113 R135 A136	H107-A139 HydrophobicContact CB-CB 4.26Å; W113-A139 HydrophobicContact CZ2-CB 4.1Å; R135-A139 WeakPolarHBondContact O-CB 3.37Å; R135-A139 PolarHBondContact O-N 3.39Å; A136-A139 PolarHBondContact O-N 3.22Å
140	L	86.5	Confident	86.9	Confident	8 Å²	8	60.9 Å²	60.9	4%	0.042	29%	0.294	C	S	.	.	S	Bend	trans	-99.4	144.6	-173.2	-64.4	167.8	0	0	0	112.2	K108 P110 W113 A136 H145 I148	K108-L140 VanDerWaalsContact O-CD2 3.29Å; K108-L140 WeakPolarHBondContact O-CD2 3.33Å; P110-L140 HydrophobicContact CB-CD1 4.28Å; P110-L140 HydrophobicContact CG-CD1 4.32Å; P110-L140 HydrophobicContact CG-CD2 3.92Å; W113-L140 HydrophobicContact CG-CD1 4.31Å; A136-L140 WeakPolarHBondContact O-CB 3.39Å; A136-L140 WeakPolarHBondContact O-CG 3.11Å; A136-L140 PolarHBondContact O-N 3.09Å; L140-H145 PolarHBondContact O-NE2 2.92Å; L140-I148 HydrophobicContact CD1-CD1 3.18Å; L140-I148 HydrophobicContact CD1-CG1 4.27Å; L140-I148 HydrophobicContact CG-CD1 4.41Å
141	P	86.5	Confident	86.8	Confident	70 Å²	70	58.4 Å²	58.4	46%	0.455	29%	0.287	S	S	.	.			trans	-60.3	151.2	174.2	-21.9	32.8	0	0	0	112.8	T143 Q144 H145	P141-T143 PolarHBondContact O-N 3.4Å; P141-T143 VanDerWaalsContact O-N 3.11Å; P141-Q144 PolarHBondContact O-N 2.77Å; P141-H145 PolarHBondContact O-CD2 2.8Å
142	I	82	Confident	86.6	Confident	113 Å²	113	51.4 Å²	51.4	58%	0.579	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-55.7	-31.9	-178.4	-156.3	155.8	0	0	0	113.1	Q144 H145 L175	I142-Q144 PolarHBondContact O-N 3.21Å; I142-H145 WeakPolarHBondContact O-CB 3.49Å; I142-H145 PolarHBondContact O-N 3.09Å; I142-H145 VanDerWaalsContact O-N 3.16Å; I142-L175 HydrophobicContact CD1-CD2 3.4Å; I142-L175 VanDerWaalsContact CD1-CD2 3.4Å; I142-L175 HydrophobicContact CG1-CD2 3.59Å
143	T	85.2	Confident	86.2	Confident	111 Å²	111	52 Å²	52	68%	0.681	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.3	177.2	56.3	0	0	0	0	113.4	P141 S146	P141-T143 PolarHBondContact O-N 3.4Å; P141-T143 VanDerWaalsContact O-N 3.11Å; T143-S146 PolarHBondContact O-OG 3.39Å
144	Q	83.9	Confident	86	Confident	53 Å²	53	60.4 Å²	60.4	25%	0.248	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-98.5	-6.9	-179.4	-61.9	-178.7	-10.2	0	0	112.7	P141 I142 S146 R147	P141-Q144 PolarHBondContact O-N 2.77Å; I142-Q144 PolarHBondContact O-N 3.21Å; Q144-S146 PolarHBondContact O-N 3.26Å; Q144-R147 WeakPolarHBondContact O-CB 3.49Å; Q144-R147 PolarHBondContact O-N 3.24Å
145	H	85.9	Confident	85.8	Confident	19 Å²	19	59.2 Å²	59.2	9%	0.088	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-31.4	-179.8	-72.4	-163.6	0	0	0	111.5	L137 L140 P141 I142 R147 I148 W149	L137-H145 HydrophobicContact CD2-CB 4.16Å; L137-H145 PolarHBondContact O-CE1 3.49Å; L137-H145 VanDerWaalsContact O-CE1 3.25Å; L137-H145 PolarHBondContact O-NE2 3.19Å; L140-H145 PolarHBondContact O-NE2 2.92Å; P141-H145 PolarHBondContact O-CD2 2.8Å; I142-H145 WeakPolarHBondContact O-CB 3.49Å; I142-H145 PolarHBondContact O-N 3.09Å; I142-H145 VanDerWaalsContact O-N 3.16Å; H145-R147 PolarHBondContact O-N 2.88Å; H145-R147 VanDerWaalsContact O-N 3.11Å; H145-I148 PolarHBondContact O-N 3.28Å; H145-W149 PolarHBondContact O-N 3.08Å
146	S	81	Confident	85.4	Confident	79 Å²	79	55.4 Å²	55.4	55%	0.552	28%	0.275	S	S	*	.	H	α-helix	trans	-55.2	-25.6	173.7	58.9	0	0	0	0	114.1	T143 Q144 P150	T143-S146 PolarHBondContact O-OG 3.39Å; Q144-S146 PolarHBondContact O-N 3.26Å; S146-P150 WeakPolarHBondContact O-CD 3.36Å; S146-P150 WeakPolarHBondContact O-CG 3.46Å
147	R	83.5	Confident	84.9	Confident	163 Å²	163	61.8 Å²	61.8	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-82.1	-27.5	176.4	-61.9	-176.5	179	-175.9	-0.8	113	Q144 H145	Q144-R147 WeakPolarHBondContact O-CB 3.49Å; Q144-R147 PolarHBondContact O-N 3.24Å; H145-R147 PolarHBondContact O-N 2.88Å; H145-R147 VanDerWaalsContact O-N 3.11Å
148	I	87.7	Confident	84.6	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-88.8	-41.1	-177.5	-62.6	171.6	0	0	0	110.7	L114 F133 A136 L137 L140 H145 L151 Y152	L114-I148 HydrophobicContact CD2-CG1 4.2Å; F133-I148 HydrophobicContact CD1-CG2 3.82Å; F133-I148 HydrophobicContact CE1-CG2 4.2Å; A136-I148 HydrophobicContact CB-CD1 4Å; L137-I148 HydrophobicContact CD2-CB 4.2Å; L137-I148 HydrophobicContact CD2-CD1 4.24Å; L137-I148 HydrophobicContact CD2-CG2 4.11Å; L137-I148 HydrophobicContact CG-CG2 4.44Å; L140-I148 HydrophobicContact CD1-CD1 3.18Å; L140-I148 HydrophobicContact CD1-CG1 4.27Å; L140-I148 HydrophobicContact CG-CD1 4.41Å; H145-I148 PolarHBondContact O-N 3.28Å; I148-L151 PolarHBondContact O-N 3.46Å; I148-L151 VanDerWaalsContact O-N 3.08Å; I148-Y152 WeakPolarHBondContact O-CB 3.4Å; I148-Y152 PolarHBondContact O-N 3.27Å
149	W	87.2	Confident	84	Confident	5 Å²	5	58 Å²	58	2%	0.019	30%	0.296	C	S	.	.	H	α-helix	trans	-52.7	-44.8	-176.8	-77.1	119.6	0	0	0	113.1	L137 H145 L151 Y152 L153 G168 R171 F172 L175	L137-W149 HydrophobicContact CD1-CH2 3.96Å; L137-W149 HydrophobicContact CD1-CZ2 3.84Å; L137-W149 HydrophobicContact CD2-CZ2 4.43Å; H145-W149 PolarHBondContact O-N 3.08Å; W149-L151 PolarHBondContact O-N 2.92Å; W149-Y152 AromaticContact CE3-CD1 3.67Å; W149-Y152 HydrophobicContact CE3-CD1 3.67Å; W149-Y152 HydrophobicContact CE3-CE1 4.48Å; W149-Y152 HydrophobicContact CH2-CD1 4.33Å; W149-Y152 HydrophobicContact CH2-CE1 4.41Å; W149-Y152 AromaticContact CZ3-CD1 3.42Å; W149-Y152 HydrophobicContact CZ3-CD1 3.42Å; W149-Y152 VanDerWaalsContact CZ3-CD1 3.42Å; W149-Y152 AromaticContact CZ3-CE1 3.78Å; W149-Y152 HydrophobicContact CZ3-CE1 3.78Å; W149-Y152 CarbonylContact O-C 3.58Å; W149-Y152 PolarHBondContact O-N 3.46Å; W149-Y152 VanDerWaalsContact O-N 3.08Å; W149-L153 WeakPolarHBondContact O-CB 3.39Å; W149-L153 VanDerWaalsContact O-CG 3.27Å; W149-L153 WeakPolarHBondContact O-CG 3.33Å; W149-L153 PolarHBondContact O-N 3.32Å; W149-G168 WeakPolarHBondContact CZ3-O 3.36Å; W149-R171 HydrophobicContact CH2-CB 3.96Å; W149-R171 HydrophobicContact CH2-CG 3.86Å; W149-R171 HydrophobicContact CZ2-CG 4.07Å; W149-F172 HydrophobicContact CB-CD2 3.96Å; W149-F172 HydrophobicContact CB-CE2 3.83Å; W149-F172 AromaticContact CD1-CD2 3.78Å; W149-F172 HydrophobicContact CD2-CB 4.27Å; W149-F172 AromaticContact CD2-CD2 3.57Å; W149-F172 HydrophobicContact CD2-CD2 3.57Å; W149-F172 HydrophobicContact CD2-CE2 4.34Å; W149-F172 HydrophobicContact CD2-CG 4.3Å; W149-F172 AromaticContact CE2-CD2 3.96Å; W149-F172 HydrophobicContact CE3-CB 3.96Å; W149-F172 AromaticContact CE3-CD2 3.97Å; W149-F172 HydrophobicContact CE3-CD2 3.97Å; W149-F172 HydrophobicContact CE3-CG 4.27Å; W149-F172 AromaticContact CG-CD2 3.53Å; W149-F172 HydrophobicContact CG-CD2 3.53Å; W149-F172 AromaticContact CG-CE2 3.82Å; W149-F172 HydrophobicContact CG-CE2 3.82Å; W149-F172 HydrophobicContact CH2-CB 4.19Å; W149-F172 HydrophobicContact CZ2-CB 4.46Å; W149-F172 HydrophobicContact CZ3-CB 3.91Å; W149-L175 HydrophobicContact CZ2-CD1 4.03Å
150	P	85.5	Confident	83.3	Confident	79 Å²	79	62.3 Å²	62.3	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-59.3	-41.9	177.4	-27.1	35.6	0	0	0	113.7	S146 R154	S146-P150 WeakPolarHBondContact O-CD 3.36Å; S146-P150 WeakPolarHBondContact O-CG 3.46Å; P150-R154 VanDerWaalsContact O-CB 3.32Å; P150-R154 WeakPolarHBondContact O-CB 3.43Å; P150-R154 PolarHBondContact O-N 2.81Å
151	L	86.1	Confident	82.9	Confident	32 Å²	32	65.5 Å²	65.5	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-69.8	-37.1	174.6	-70.3	-166.7	0	0	0	111.8	L114 Q118 F133 I148 W149 R154 F155	L114-L151 HydrophobicContact CB-CD1 3.94Å; L114-L151 HydrophobicContact CD2-CD1 3.39Å; L114-L151 HydrophobicContact CD2-CG 4.13Å; L114-L151 HydrophobicContact CG-CD1 4.15Å; Q118-L151 HydrophobicContact CG-CD1 4.1Å; F133-L151 HydrophobicContact CE1-CB 4.35Å; I148-L151 PolarHBondContact O-N 3.46Å; I148-L151 VanDerWaalsContact O-N 3.08Å; W149-L151 PolarHBondContact O-N 2.92Å; L151-R154 PolarHBondContact O-N 2.96Å; L151-F155 WeakPolarHBondContact O-CB 3.42Å; L151-F155 PolarHBondContact O-N 2.97Å
152	Y	85.6	Confident	82.3	Confident	8 Å²	8	64.3 Å²	64.3	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-68.7	-42.4	178.5	-169.9	-131.1	0	0	0	111.7	F133 I148 W149 R154 F155 L156	F133-Y152 HydrophobicContact CB-CD2 3.46Å; F133-Y152 VanDerWaalsContact CB-CD2 3.46Å; F133-Y152 HydrophobicContact CB-CE2 3.43Å; F133-Y152 VanDerWaalsContact CB-CE2 3.43Å; F133-Y152 HydrophobicContact CB-CG 4.26Å; F133-Y152 AromaticContact CD1-CD2 3.59Å; F133-Y152 HydrophobicContact CD1-CD2 3.59Å; F133-Y152 HydrophobicContact CD1-CE2 4.43Å; F133-Y152 HydrophobicContact CD1-CG 4.04Å; F133-Y152 AromaticContact CD2-CD2 3.33Å; F133-Y152 HydrophobicContact CD2-CD2 3.33Å; F133-Y152 AromaticContact CD2-CE2 3.67Å; F133-Y152 HydrophobicContact CD2-CE2 3.67Å; F133-Y152 HydrophobicContact CD2-CG 4.48Å; F133-Y152 HydrophobicContact CE1-CD2 4.07Å; F133-Y152 HydrophobicContact CE1-CG 4.45Å; F133-Y152 AromaticContact CE2-CD2 3.85Å; F133-Y152 HydrophobicContact CE2-CD2 3.85Å; F133-Y152 HydrophobicContact CE2-CE2 4.5Å; F133-Y152 AromaticContact CG-CD2 3.19Å; F133-Y152 HydrophobicContact CG-CD2 3.19Å; F133-Y152 AromaticContact CG-CE2 3.63Å; F133-Y152 HydrophobicContact CG-CE2 3.63Å; F133-Y152 HydrophobicContact CG-CG 4.06Å; F133-Y152 HydrophobicContact CZ-CD2 4.18Å; I148-Y152 WeakPolarHBondContact O-CB 3.4Å; I148-Y152 PolarHBondContact O-N 3.27Å; W149-Y152 AromaticContact CE3-CD1 3.67Å; W149-Y152 HydrophobicContact CE3-CD1 3.67Å; W149-Y152 HydrophobicContact CE3-CE1 4.48Å; W149-Y152 HydrophobicContact CH2-CD1 4.33Å; W149-Y152 HydrophobicContact CH2-CE1 4.41Å; W149-Y152 AromaticContact CZ3-CD1 3.42Å; W149-Y152 HydrophobicContact CZ3-CD1 3.42Å; W149-Y152 VanDerWaalsContact CZ3-CD1 3.42Å; W149-Y152 AromaticContact CZ3-CE1 3.78Å; W149-Y152 HydrophobicContact CZ3-CE1 3.78Å; W149-Y152 CarbonylContact O-C 3.58Å; W149-Y152 PolarHBondContact O-N 3.46Å; W149-Y152 VanDerWaalsContact O-N 3.08Å; Y152-R154 VanDerWaalsContact C-N 3.35Å; Y152-F155 AromaticContact CD2-CD1 3.87Å; Y152-F155 HydrophobicContact CD2-CD1 3.87Å; Y152-F155 AromaticContact CE2-CD1 3.91Å; Y152-F155 HydrophobicContact CE2-CD1 3.91Å; Y152-F155 HydrophobicContact CE2-CE1 4.19Å; Y152-F155 WeakPolarHBondContact O-CB 3.23Å; Y152-F155 PolarHBondContact O-N 2.89Å; Y152-L156 HydrophobicContact CD1-CD1 3.85Å; Y152-L156 HydrophobicContact CD2-CG 4.43Å; Y152-L156 HydrophobicContact CE1-CD1 3.72Å; Y152-L156 HydrophobicContact CE1-CG 4.48Å; Y152-L156 HydrophobicContact CE2-CD1 4.41Å; Y152-L156 HydrophobicContact CE2-CD2 4.32Å; Y152-L156 HydrophobicContact CE2-CG 4.32Å; Y152-L156 HydrophobicContact CG-CD1 4.28Å; Y152-L156 WeakPolarHBondContact O-CB 3.48Å; Y152-L156 WeakPolarHBondContact O-CG 3.4Å; Y152-L156 PolarHBondContact O-N 3.42Å
153	L	82.6	Confident	82.1	Confident	14 Å²	14	64.5 Å²	64.5	7%	0.073	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-39.3	173.7	-66.1	-176.1	0	0	0	111.1	W149 F155 L156 R157 Y169 F172	W149-L153 WeakPolarHBondContact O-CB 3.39Å; W149-L153 VanDerWaalsContact O-CG 3.27Å; W149-L153 WeakPolarHBondContact O-CG 3.33Å; W149-L153 PolarHBondContact O-N 3.32Å; L153-F155 VanDerWaalsContact C-N 3.35Å; L153-F155 PolarHBondContact O-N 3.38Å; L153-L156 HydrophobicContact CD2-CD1 4.28Å; L153-L156 PolarHBondContact O-N 2.98Å; L153-R157 WeakPolarHBondContact O-CB 3.46Å; L153-R157 WeakPolarHBondContact O-CG 3.29Å; L153-R157 PolarHBondContact O-N 3.49Å; L153-Y169 HydrophobicContact CD1-CE1 3.94Å; L153-Y169 HydrophobicContact CD2-CD1 3.78Å; L153-Y169 HydrophobicContact CD2-CD2 4.23Å; L153-Y169 HydrophobicContact CD2-CE1 3.5Å; L153-Y169 VanDerWaalsContact CD2-CE1 3.5Å; L153-Y169 HydrophobicContact CD2-CE2 3.95Å; L153-Y169 HydrophobicContact CD2-CG 4.14Å; L153-Y169 HydrophobicContact CG-CE1 4.26Å; L153-F172 HydrophobicContact CD1-CD1 4.29Å; L153-F172 HydrophobicContact CD1-CE1 4.12Å; L153-F172 HydrophobicContact CD1-CZ 4.44Å
154	R	84.9	Confident	81.9	Confident	178 Å²	178	60.9 Å²	60.9	67%	0.672	31%	0.307	S	S	*	.	H	α-helix	trans	-61.1	-42.9	172.2	-176.9	176.7	174.9	173	-0.9	111.9	P150 L151 Y152 R157 S158	P150-R154 VanDerWaalsContact O-CB 3.32Å; P150-R154 WeakPolarHBondContact O-CB 3.43Å; P150-R154 PolarHBondContact O-N 2.81Å; L151-R154 PolarHBondContact O-N 2.96Å; Y152-R154 VanDerWaalsContact C-N 3.35Å; R154-R157 PolarHBondContact O-N 3.22Å; R154-S158 WeakPolarHBondContact O-CB 3.35Å; R154-S158 PolarHBondContact O-N 3.45Å; R154-S158 PolarHBondContact O-OG 3.16Å
155	F	84.8	Confident	81.8	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-41.8	173.9	165.6	-107.9	0	0	0	112.4	M121 V126 T129 R130 F133 L151 Y152 L153 R157 S158 H159	M121-F155 HydrophobicContact CE-CB 3.69Å; M121-F155 HydrophobicContact CE-CD2 4.22Å; M121-F155 HydrophobicContact CE-CG 4.46Å; M121-F155 HydrophobicContact CG-CB 4.31Å; M121-F155 HydrophobicContact CG-CD2 3.71Å; M121-F155 HydrophobicContact CG-CE2 4.49Å; M121-F155 HydrophobicContact CG-CG 4.31Å; M121-F155 HydrophobicContact SD-CB 3.77Å; M121-F155 HydrophobicContact SD-CD2 4.29Å; M121-F155 HydrophobicContact SD-CG 4.4Å; V126-F155 HydrophobicContact CG1-CE2 4.46Å; V126-F155 HydrophobicContact CG1-CZ 3.94Å; T129-F155 HydrophobicContact CG2-CE2 4.08Å; T129-F155 WeakPolarHBondContact OG1-CE2 3.22Å; T129-F155 WeakPolarHBondContact OG1-CZ 3.13Å; R130-F155 HydrophobicContact CB-CE1 4.38Å; F133-F155 AromaticContact CD2-CD1 3.91Å; F133-F155 HydrophobicContact CD2-CD1 3.91Å; F133-F155 HydrophobicContact CD2-CE1 4.26Å; F133-F155 HydrophobicContact CD2-CG 4.36Å; F133-F155 HydrophobicContact CE2-CB 3.84Å; F133-F155 AromaticContact CE2-CD1 3.67Å; F133-F155 HydrophobicContact CE2-CD1 3.67Å; F133-F155 HydrophobicContact CE2-CD2 4.33Å; F133-F155 HydrophobicContact CE2-CE1 4.33Å; F133-F155 AromaticContact CE2-CG 3.66Å; F133-F155 HydrophobicContact CE2-CG 3.66Å; F133-F155 HydrophobicContact CZ-CB 4.11Å; F133-F155 HydrophobicContact CZ-CG 4.42Å; L151-F155 WeakPolarHBondContact O-CB 3.42Å; L151-F155 PolarHBondContact O-N 2.97Å; Y152-F155 AromaticContact CD2-CD1 3.87Å; Y152-F155 HydrophobicContact CD2-CD1 3.87Å; Y152-F155 AromaticContact CE2-CD1 3.91Å; Y152-F155 HydrophobicContact CE2-CD1 3.91Å; Y152-F155 HydrophobicContact CE2-CE1 4.19Å; Y152-F155 WeakPolarHBondContact O-CB 3.23Å; Y152-F155 PolarHBondContact O-N 2.89Å; L153-F155 VanDerWaalsContact C-N 3.35Å; L153-F155 PolarHBondContact O-N 3.38Å; F155-R157 VanDerWaalsContact C-N 3.32Å; F155-R157 PolarHBondContact O-N 3.24Å; F155-S158 WeakPolarHBondContact CA-OG 3.45Å; F155-S158 PolarHBondContact O-N 2.95Å; F155-S158 PolarHBondContact O-OG 3.24Å; F155-H159 AromaticContact CD2-CD2 3.42Å; F155-H159 VanDerWaalsContact CD2-CD2 3.42Å; F155-H159 WeakPolarHBondContact CD2-CD2 3.3Å; F155-H159 AromaticContact CD2-NE2 3.58Å; F155-H159 AromaticContact CE2-CD2 3.2Å; F155-H159 WeakPolarHBondContact CE2-CD2 3.37Å; F155-H159 AromaticContact CE2-NE2 3.35Å; F155-H159 VanDerWaalsContact CE2-NE2 3.35Å; F155-H159 WeakPolarHBondContact CE2-NE2 3.46Å; F155-H159 PolarHBondContact O-CD2 3.16Å; F155-H159 PolarHBondContact O-N 3.16Å
156	L	81.5	Confident	81.6	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-68.7	-31.1	178.2	-69.4	171.7	0	0	0	112.3	Y152 L153 A165	Y152-L156 HydrophobicContact CD1-CD1 3.85Å; Y152-L156 HydrophobicContact CD2-CG 4.43Å; Y152-L156 HydrophobicContact CE1-CD1 3.72Å; Y152-L156 HydrophobicContact CE1-CG 4.48Å; Y152-L156 HydrophobicContact CE2-CD1 4.41Å; Y152-L156 HydrophobicContact CE2-CD2 4.32Å; Y152-L156 HydrophobicContact CE2-CG 4.32Å; Y152-L156 HydrophobicContact CG-CD1 4.28Å; Y152-L156 WeakPolarHBondContact O-CB 3.48Å; Y152-L156 WeakPolarHBondContact O-CG 3.4Å; Y152-L156 PolarHBondContact O-N 3.42Å; L153-L156 HydrophobicContact CD2-CD1 4.28Å; L153-L156 PolarHBondContact O-N 2.98Å; L156-A165 HydrophobicContact CB-CB 3.85Å; L156-A165 HydrophobicContact CD2-CB 4.26Å; L156-A165 HydrophobicContact CG-CB 4.43Å
157	R	79.9	Confident	81.6	Confident	135 Å²	135	62.1 Å²	62.1	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-75.9	-29.5	172.9	-73.3	178.3	-179.1	-172.2	-0.7	113.1	L153 R154 F155 Y169 Y186	L153-R157 WeakPolarHBondContact O-CB 3.46Å; L153-R157 WeakPolarHBondContact O-CG 3.29Å; L153-R157 PolarHBondContact O-N 3.49Å; R154-R157 PolarHBondContact O-N 3.22Å; F155-R157 VanDerWaalsContact C-N 3.32Å; F155-R157 PolarHBondContact O-N 3.24Å; R157-Y169 PolarHBondContact NE-OH 3.49Å; R157-Y169 PolarHBondContact NH2-OH 3.08Å; R157-Y186 HydrophobicContact CG-CD2 3.75Å; R157-Y186 HydrophobicContact CG-CE2 3.69Å
158	S	80.1	Confident	81.5	Confident	67 Å²	67	54.6 Å²	54.6	47%	0.469	27%	0.269	S	S	.	.	H	α-helix	trans	-77.7	-19.9	-176.4	64.2	0	0	0	0	114.3	R154 F155	R154-S158 WeakPolarHBondContact O-CB 3.35Å; R154-S158 PolarHBondContact O-N 3.45Å; R154-S158 PolarHBondContact O-OG 3.16Å; F155-S158 WeakPolarHBondContact CA-OG 3.45Å; F155-S158 PolarHBondContact O-N 2.95Å; F155-S158 PolarHBondContact O-OG 3.24Å
159	H	75.6	Confident	81.2	Confident	42 Å²	42	54.5 Å²	54.5	19%	0.194	27%	0.269	C	S	.	.	S	Bend	trans	-112.5	140.9	179	-63.1	-68.9	0	0	0	111.1	F155 L161	F155-H159 AromaticContact CD2-CD2 3.42Å; F155-H159 VanDerWaalsContact CD2-CD2 3.42Å; F155-H159 WeakPolarHBondContact CD2-CD2 3.3Å; F155-H159 AromaticContact CD2-NE2 3.58Å; F155-H159 AromaticContact CE2-CD2 3.2Å; F155-H159 WeakPolarHBondContact CE2-CD2 3.37Å; F155-H159 AromaticContact CE2-NE2 3.35Å; F155-H159 VanDerWaalsContact CE2-NE2 3.35Å; F155-H159 WeakPolarHBondContact CE2-NE2 3.46Å; F155-H159 PolarHBondContact O-CD2 3.16Å; F155-H159 PolarHBondContact O-N 3.16Å; H159-L161 PolarHBondContact O-N 3.02Å
160	P	74.4	Confident	81	Confident	122 Å²	122	59.3 Å²	59.3	79%	0.792	29%	0.287	S	S	*	.	S	Bend	trans	-77.1	55.5	177.9	33.8	-36.5	0	0	0	111.2	P162	P160-P162 WeakPolarHBondContact O-CD 3.5Å
161	L	76.1	Confident	80.8	Confident	74 Å²	74	59.9 Å²	59.9	39%	0.387	28%	0.279	S	S	.	.			trans	-118.9	79.2	176.8	-63.7	-174.3	0	0	0	110.5	V126 H159 E163 T164 A165	V126-L161 HydrophobicContact CB-CD1 4.4Å; V126-L161 HydrophobicContact CG1-CD1 3.28Å; V126-L161 HydrophobicContact CG1-CG 4.48Å; H159-L161 PolarHBondContact O-N 3.02Å; L161-E163 VanDerWaalsContact C-N 3.32Å; L161-E163 PolarHBondContact O-N 2.9Å; L161-T164 WeakPolarHBondContact CB-OG1 3.35Å; L161-T164 PolarHBondContact O-N 3.05Å; L161-T164 PolarHBondContact O-OG1 2.82Å; L161-A165 PolarHBondContact O-N 2.87Å; L161-A165 VanDerWaalsContact O-N 3.15Å
162	P	74.5	Confident	80.6	Confident	46 Å²	46	59.6 Å²	59.6	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-66.3	-32.8	-170.8	27.3	-35.9	0	0	0	112.2	P160 T164 A165 V166	P160-P162 WeakPolarHBondContact O-CD 3.5Å; P162-T164 PolarHBondContact O-N 2.79Å; P162-A165 PolarHBondContact O-N 2.97Å; P162-V166 VanDerWaalsContact O-CB 3.26Å; P162-V166 WeakPolarHBondContact O-CB 3.31Å; P162-V166 WeakPolarHBondContact O-CG2 3.39Å; P162-V166 PolarHBondContact O-N 2.79Å
163	E	78.7	Confident	80.2	Confident	117 Å²	117	60.4 Å²	60.4	55%	0.547	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-43.4	178.6	-66.6	-167.7	172.2	0	0	113.3	L161 A165 R167	L161-E163 VanDerWaalsContact C-N 3.32Å; L161-E163 PolarHBondContact O-N 2.9Å; E163-A165 VanDerWaalsContact C-N 3.31Å; E163-R167 WeakPolarHBondContact O-CB 3.32Å; E163-R167 VanDerWaalsContact O-CG 3.29Å; E163-R167 WeakPolarHBondContact O-CG 3.41Å; E163-R167 PolarHBondContact O-N 3.18Å
164	T	80.2	Confident	80.1	Confident	35 Å²	35	68.6 Å²	68.6	22%	0.215	32%	0.316	C	S	.	.	H	α-helix	trans	-68.3	-37.1	177.7	43.5	0	0	0	0	111.1	L161 P162 R167 G168	L161-T164 WeakPolarHBondContact CB-OG1 3.35Å; L161-T164 PolarHBondContact O-N 3.05Å; L161-T164 PolarHBondContact O-OG1 2.82Å; P162-T164 PolarHBondContact O-N 2.79Å; T164-R167 PolarHBondContact O-N 2.97Å; T164-G168 PolarHBondContact O-N 2.78Å
165	A	81.5	Confident	79.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-48.8	176.7	0	0	0	0	0	111.5	L156 L161 P162 E163 R167 G168 Y169 Y186	L156-A165 HydrophobicContact CB-CB 3.85Å; L156-A165 HydrophobicContact CD2-CB 4.26Å; L156-A165 HydrophobicContact CG-CB 4.43Å; L161-A165 PolarHBondContact O-N 2.87Å; L161-A165 VanDerWaalsContact O-N 3.15Å; P162-A165 PolarHBondContact O-N 2.97Å; E163-A165 VanDerWaalsContact C-N 3.31Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 2.98Å; A165-G168 CarbonylContact O-C 3.55Å; A165-G168 WeakPolarHBondContact O-CA 3.49Å; A165-G168 PolarHBondContact O-N 2.8Å; A165-Y169 VanDerWaalsContact O-CD2 3.26Å; A165-Y169 WeakPolarHBondContact O-CD2 3.47Å; A165-Y169 PolarHBondContact O-N 3.09Å; A165-Y186 HydrophobicContact CB-CE1 3.54Å; A165-Y186 VanDerWaalsContact CB-CZ 3.44Å; A165-Y186 WeakPolarHBondContact CB-OH 3.41Å
166	V	81.5	Confident	79.1	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-55.6	-46.5	174.8	162.1	0	0	0	0	111.5	P162 G168 Y169 R170 Y183 L187 E195	P162-V166 VanDerWaalsContact O-CB 3.26Å; P162-V166 WeakPolarHBondContact O-CB 3.31Å; P162-V166 WeakPolarHBondContact O-CG2 3.39Å; P162-V166 PolarHBondContact O-N 2.79Å; V166-G168 VanDerWaalsContact C-N 3.32Å; V166-G168 PolarHBondContact O-N 2.9Å; V166-Y169 PolarHBondContact O-N 2.77Å; V166-R170 HydrophobicContact CG1-CG 4.49Å; V166-R170 VanDerWaalsContact CG1-CZ 3.46Å; V166-R170 VanDerWaalsContact CG1-NE 3.28Å; V166-R170 VanDerWaalsContact CG1-NH2 3.33Å; V166-R170 WeakPolarHBondContact O-CB 3.26Å; V166-R170 VanDerWaalsContact O-CG 3.24Å; V166-R170 WeakPolarHBondContact O-CG 3.21Å; V166-R170 PolarHBondContact O-N 2.9Å; V166-Y183 HydrophobicContact CG2-CE2 4.49Å; V166-L187 HydrophobicContact CG2-CD2 3.81Å; V166-E195 WeakPolarHBondContact CG1-OE2 3.38Å
167	R	81.9	Confident	78.9	Confident	174 Å²	174	68.1 Å²	68.1	66%	0.657	33%	0.333	S	S	*	.	H	α-helix	trans	-63.4	-38.8	175.4	-71	177.7	-171.5	-176.2	7	112.2	E163 T164 A165 R171	E163-R167 WeakPolarHBondContact O-CB 3.32Å; E163-R167 VanDerWaalsContact O-CG 3.29Å; E163-R167 WeakPolarHBondContact O-CG 3.41Å; E163-R167 PolarHBondContact O-N 3.18Å; T164-R167 PolarHBondContact O-N 2.97Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 2.98Å; R167-R171 PolarHBondContact O-N 3.37Å; R167-R171 VanDerWaalsContact O-N 3.14Å
168	G	81.5	Confident	78.6	Confident	4 Å²	4	66.7 Å²	66.7	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-51.5	174.7	0	0	0	0	0	112.2	W149 T164 A165 V166 R171 F172	W149-G168 WeakPolarHBondContact CZ3-O 3.36Å; T164-G168 PolarHBondContact O-N 2.78Å; A165-G168 CarbonylContact O-C 3.55Å; A165-G168 WeakPolarHBondContact O-CA 3.49Å; A165-G168 PolarHBondContact O-N 2.8Å; V166-G168 VanDerWaalsContact C-N 3.32Å; V166-G168 PolarHBondContact O-N 2.9Å; G168-R171 WeakPolarHBondContact O-CB 3.39Å; G168-R171 PolarHBondContact O-N 2.86Å; G168-F172 PolarHBondContact O-N 3.43Å
169	Y	81.2	Confident	78.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-42.9	176.7	-83.7	-75.7	0	0	0	112.7	L153 R157 A165 V166 R171 F172 L173 Y183 Y186	L153-Y169 HydrophobicContact CD1-CE1 3.94Å; L153-Y169 HydrophobicContact CD2-CD1 3.78Å; L153-Y169 HydrophobicContact CD2-CD2 4.23Å; L153-Y169 HydrophobicContact CD2-CE1 3.5Å; L153-Y169 VanDerWaalsContact CD2-CE1 3.5Å; L153-Y169 HydrophobicContact CD2-CE2 3.95Å; L153-Y169 HydrophobicContact CD2-CG 4.14Å; L153-Y169 HydrophobicContact CG-CE1 4.26Å; R157-Y169 PolarHBondContact NE-OH 3.49Å; R157-Y169 PolarHBondContact NH2-OH 3.08Å; A165-Y169 VanDerWaalsContact O-CD2 3.26Å; A165-Y169 WeakPolarHBondContact O-CD2 3.47Å; A165-Y169 PolarHBondContact O-N 3.09Å; V166-Y169 PolarHBondContact O-N 2.77Å; Y169-R171 PolarHBondContact O-N 2.74Å; Y169-F172 WeakPolarHBondContact O-CA 3.31Å; Y169-F172 WeakPolarHBondContact O-CB 3.45Å; Y169-F172 PolarHBondContact O-N 3.04Å; Y169-L173 WeakPolarHBondContact O-CG 3.32Å; Y169-L173 PolarHBondContact O-N 2.83Å; Y169-Y183 AromaticContact CD1-CD2 3.79Å; Y169-Y183 HydrophobicContact CD1-CD2 3.79Å; Y169-Y183 HydrophobicContact CD1-CG 4.26Å; Y169-Y183 AromaticContact CD2-CD2 3.99Å; Y169-Y183 HydrophobicContact CD2-CD2 3.99Å; Y169-Y183 HydrophobicContact CD2-CE2 4.33Å; Y169-Y183 AromaticContact CG-CD2 3.4Å; Y169-Y183 HydrophobicContact CG-CD2 3.4Å; Y169-Y183 AromaticContact CG-CE2 3.95Å; Y169-Y183 HydrophobicContact CG-CE2 3.95Å; Y169-Y183 HydrophobicContact CG-CG 4.25Å; Y169-Y186 AromaticContact CD2-CD1 3.47Å; Y169-Y186 HydrophobicContact CD2-CD1 3.47Å; Y169-Y186 VanDerWaalsContact CD2-CD1 3.47Å; Y169-Y186 AromaticContact CD2-CE1 3.84Å; Y169-Y186 HydrophobicContact CD2-CE1 3.84Å; Y169-Y186 AromaticContact CD2-CG 3.97Å; Y169-Y186 HydrophobicContact CD2-CG 3.97Å; Y169-Y186 AromaticContact CE2-CD1 3.22Å; Y169-Y186 HydrophobicContact CE2-CD1 3.22Å; Y169-Y186 AromaticContact CE2-CD2 3.7Å; Y169-Y186 HydrophobicContact CE2-CD2 3.7Å; Y169-Y186 AromaticContact CE2-CE1 3.66Å; Y169-Y186 HydrophobicContact CE2-CE1 3.66Å; Y169-Y186 HydrophobicContact CE2-CE2 4.09Å; Y169-Y186 AromaticContact CE2-CG 3.24Å; Y169-Y186 HydrophobicContact CE2-CG 3.24Å; Y169-Y186 HydrophobicContact CG-CD1 4.47Å; Y169-Y186 AromaticContact CZ-CG 3.62Å
170	R	82.3	Confident	78.7	Confident	106 Å²	106	62.1 Å²	62.1	40%	0.4	31%	0.305	S	S	.	.	H	α-helix	trans	-58.1	-34.9	174.4	-73.7	176	-168.2	-178.8	7.9	112.3	V166 E195	V166-R170 HydrophobicContact CG1-CG 4.49Å; V166-R170 VanDerWaalsContact CG1-CZ 3.46Å; V166-R170 VanDerWaalsContact CG1-NE 3.28Å; V166-R170 VanDerWaalsContact CG1-NH2 3.33Å; V166-R170 WeakPolarHBondContact O-CB 3.26Å; V166-R170 VanDerWaalsContact O-CG 3.24Å; V166-R170 WeakPolarHBondContact O-CG 3.21Å; V166-R170 PolarHBondContact O-N 2.9Å; R170-E195 IonicContact CZ-OE2 2.9Å; R170-E195 IonicContact NE-OE2 2.63Å; R170-E195 IonicContact NH2-OE1 3.19Å; R170-E195 PolarHBondContact NH2-OE1 3.14Å; R170-E195 IonicContact NH2-OE2 3.02Å; R170-E195 PolarHBondContact NH2-OE2 3.44Å
171	R	81.5	Confident	79	Confident	91 Å²	91	57.2 Å²	57.2	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-73.9	-36.5	174.8	-176.2	177.9	177.5	-171.6	-0.3	111.8	D134 W149 R167 G168 Y169 K174	D134-R171 IonicContact OD1-NH1 3.42Å; D134-R171 PolarHBondContact OD1-NH1 2.84Å; W149-R171 HydrophobicContact CH2-CB 3.96Å; W149-R171 HydrophobicContact CH2-CG 3.86Å; W149-R171 HydrophobicContact CZ2-CG 4.07Å; R167-R171 PolarHBondContact O-N 3.37Å; R167-R171 VanDerWaalsContact O-N 3.14Å; G168-R171 WeakPolarHBondContact O-CB 3.39Å; G168-R171 PolarHBondContact O-N 2.86Å; Y169-R171 PolarHBondContact O-N 2.74Å; R171-K174 PolarHBondContact O-N 3.24Å
172	F	81.5	Confident	79.3	Confident	27 Å²	27	57.6 Å²	57.6	12%	0.118	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-44.6	174.8	-179	-120.3	0	0	0	111.9	W149 L153 G168 Y169 K174 L175 S176 S179	W149-F172 HydrophobicContact CB-CD2 3.96Å; W149-F172 HydrophobicContact CB-CE2 3.83Å; W149-F172 AromaticContact CD1-CD2 3.78Å; W149-F172 HydrophobicContact CD2-CB 4.27Å; W149-F172 AromaticContact CD2-CD2 3.57Å; W149-F172 HydrophobicContact CD2-CD2 3.57Å; W149-F172 HydrophobicContact CD2-CE2 4.34Å; W149-F172 HydrophobicContact CD2-CG 4.3Å; W149-F172 AromaticContact CE2-CD2 3.96Å; W149-F172 HydrophobicContact CE3-CB 3.96Å; W149-F172 AromaticContact CE3-CD2 3.97Å; W149-F172 HydrophobicContact CE3-CD2 3.97Å; W149-F172 HydrophobicContact CE3-CG 4.27Å; W149-F172 AromaticContact CG-CD2 3.53Å; W149-F172 HydrophobicContact CG-CD2 3.53Å; W149-F172 AromaticContact CG-CE2 3.82Å; W149-F172 HydrophobicContact CG-CE2 3.82Å; W149-F172 HydrophobicContact CH2-CB 4.19Å; W149-F172 HydrophobicContact CZ2-CB 4.46Å; W149-F172 HydrophobicContact CZ3-CB 3.91Å; L153-F172 HydrophobicContact CD1-CD1 4.29Å; L153-F172 HydrophobicContact CD1-CE1 4.12Å; L153-F172 HydrophobicContact CD1-CZ 4.44Å; G168-F172 PolarHBondContact O-N 3.43Å; Y169-F172 WeakPolarHBondContact O-CA 3.31Å; Y169-F172 WeakPolarHBondContact O-CB 3.45Å; Y169-F172 PolarHBondContact O-N 3.04Å; F172-K174 PolarHBondContact O-N 3.07Å; F172-L175 WeakPolarHBondContact O-CA 3.31Å; F172-L175 WeakPolarHBondContact O-CB 3.33Å; F172-L175 PolarHBondContact O-N 3.48Å; F172-S176 WeakPolarHBondContact CE1-OG 3.32Å; F172-S176 VanDerWaalsContact CE2-OG 3.25Å; F172-S176 WeakPolarHBondContact CE2-OG 3.39Å; F172-S176 WeakPolarHBondContact CZ-OG 3.48Å; F172-S176 PolarHBondContact O-N 3.33Å; F172-S176 PolarHBondContact O-OG 3.37Å; F172-S179 WeakPolarHBondContact CE1-OG 3.42Å
173	L	78.4	Confident	79.7	Confident	25 Å²	25	55.4 Å²	55.4	13%	0.131	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-26.3	179.7	-69.7	177.8	0	0	0	114.6	Y169 L175 S176 A180 Y183	Y169-L173 WeakPolarHBondContact O-CG 3.32Å; Y169-L173 PolarHBondContact O-N 2.83Å; L173-L175 PolarHBondContact O-N 3.49Å; L173-S176 CarbonylContact O-C 3.58Å; L173-A180 VanDerWaalsContact CD2-CA 3.49Å; L173-A180 HydrophobicContact CD2-CB 4.22Å; L173-Y183 HydrophobicContact CD1-CD1 3.28Å; L173-Y183 HydrophobicContact CD1-CE1 3.81Å; L173-Y183 HydrophobicContact CD1-CG 3.86Å; L173-Y183 HydrophobicContact CG-CD1 4.43Å
174	K	80.2	Confident	79.9	Confident	186 Å²	186	50.3 Å²	50.3	81%	0.809	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-25	171.9	-70.2	-176.3	177.8	-169.9	0	112.8	R171 F172	R171-K174 PolarHBondContact O-N 3.24Å; F172-K174 PolarHBondContact O-N 3.07Å
175	L	75.1	Confident	80.2	Confident	73 Å²	73	54 Å²	54	38%	0.382	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-41.3	178.3	-67.7	161	0	0	0	111.2	I142 W149 F172 L173	I142-L175 HydrophobicContact CD1-CD2 3.4Å; I142-L175 VanDerWaalsContact CD1-CD2 3.4Å; I142-L175 HydrophobicContact CG1-CD2 3.59Å; W149-L175 HydrophobicContact CZ2-CD1 4.03Å; F172-L175 WeakPolarHBondContact O-CA 3.31Å; F172-L175 WeakPolarHBondContact O-CB 3.33Å; F172-L175 PolarHBondContact O-N 3.48Å; L173-L175 PolarHBondContact O-N 3.49Å
176	S	74.4	Confident	80.3	Confident	21 Å²	21	54.7 Å²	54.7	15%	0.147	25%	0.251	C	S	.	.			trans	-129.2	83	-177.1	48.4	0	0	0	0	111.3	F172 L173 E178 S179	F172-S176 WeakPolarHBondContact CE1-OG 3.32Å; F172-S176 VanDerWaalsContact CE2-OG 3.25Å; F172-S176 WeakPolarHBondContact CE2-OG 3.39Å; F172-S176 WeakPolarHBondContact CZ-OG 3.48Å; F172-S176 PolarHBondContact O-N 3.33Å; F172-S176 PolarHBondContact O-OG 3.37Å; L173-S176 CarbonylContact O-C 3.58Å; S176-E178 PolarHBondContact O-N 3Å; S176-S179 WeakPolarHBondContact CB-OG 3.33Å; S176-S179 PolarHBondContact O-N 3.43Å; S176-S179 VanDerWaalsContact O-N 3.16Å; S176-S179 PolarHBondContact O-OG 3.46Å; S176-S179 PolarHBondContact OG-OG 2.91Å
177	P	77.3	Confident	80.3	Confident	83 Å²	83	54.5 Å²	54.5	54%	0.539	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-61.8	-30.1	177.1	24.3	-33.2	0	0	0	112.2	S179 A180	P177-S179 PolarHBondContact O-N 2.82Å; P177-S179 VanDerWaalsContact O-N 3.1Å; P177-A180 VanDerWaalsContact O-CB 3.31Å; P177-A180 WeakPolarHBondContact O-CB 3.28Å; P177-A180 PolarHBondContact O-N 2.98Å
178	E	73.6	Confident	80.4	Confident	104 Å²	104	49.9 Å²	49.9	49%	0.486	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-57.6	-24.1	176.3	-58	172.1	173.6	0	0	113.8	S176 A180 K212	S176-E178 PolarHBondContact O-N 3Å; E178-A180 VanDerWaalsContact C-N 3.28Å; E178-A180 PolarHBondContact O-N 2.87Å; E178-K212 HydrophobicContact CB-CD 4Å; E178-K212 HydrophobicContact CB-CG 4.23Å; E178-K212 WeakPolarHBondContact OE2-CE 3.46Å; E178-K212 IonicContact OE2-NZ 3.36Å; E178-K212 PolarHBondContact OE2-NZ 3.24Å
179	S	76.9	Confident	80.6	Confident	4 Å²	4	54 Å²	54	3%	0.028	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-91.6	18.9	178.5	53.9	0	0	0	0	113.3	F172 S176 P177 E181 E182 Y183	F172-S179 WeakPolarHBondContact CE1-OG 3.42Å; S176-S179 WeakPolarHBondContact CB-OG 3.33Å; S176-S179 PolarHBondContact O-N 3.43Å; S176-S179 VanDerWaalsContact O-N 3.16Å; S176-S179 PolarHBondContact O-OG 3.46Å; S176-S179 PolarHBondContact OG-OG 2.91Å; P177-S179 PolarHBondContact O-N 2.82Å; P177-S179 VanDerWaalsContact O-N 3.1Å; S179-E181 PolarHBondContact O-N 3.4Å; S179-E182 PolarHBondContact O-N 3.32Å; S179-Y183 PolarHBondContact O-N 2.82Å
180	A	80.2	Confident	80.5	Confident	9 Å²	9	55.3 Å²	55.3	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-53.8	-36.9	173.7	0	0	0	0	0	112.3	L173 P177 E178 Y183 I184 V203 F209	L173-A180 VanDerWaalsContact CD2-CA 3.49Å; L173-A180 HydrophobicContact CD2-CB 4.22Å; P177-A180 VanDerWaalsContact O-CB 3.31Å; P177-A180 WeakPolarHBondContact O-CB 3.28Å; P177-A180 PolarHBondContact O-N 2.98Å; E178-A180 VanDerWaalsContact C-N 3.28Å; E178-A180 PolarHBondContact O-N 2.87Å; A180-Y183 WeakPolarHBondContact O-CB 3.46Å; A180-Y183 PolarHBondContact O-N 3.22Å; A180-I184 VanDerWaalsContact O-CG1 3.31Å; A180-I184 WeakPolarHBondContact O-CG1 3.38Å; A180-I184 PolarHBondContact O-N 2.71Å; A180-V203 HydrophobicContact CB-CG2 3.87Å; A180-F209 HydrophobicContact CB-CE2 4.06Å; A180-F209 HydrophobicContact CB-CZ 4.3Å
181	E	80.7	Confident	80.3	Confident	19 Å²	19	55.3 Å²	55.3	9%	0.089	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-44.1	179	-59.7	-173.9	147.8	0	0	112.4	S179 Y183 I184 E185 F209 S211 A213	S179-E181 PolarHBondContact O-N 3.4Å; E181-Y183 PolarHBondContact O-N 3.22Å; E181-I184 PolarHBondContact O-N 2.76Å; E181-I184 VanDerWaalsContact O-N 3.1Å; E181-E185 WeakPolarHBondContact O-CG 3.14Å; E181-E185 PolarHBondContact O-N 3.31Å; E181-F209 HydrophobicContact CG-CZ 4.25Å; E181-S211 WeakPolarHBondContact OE1-CB 3.48Å; E181-S211 PolarHBondContact OE1-OG 2.82Å; E181-S211 PolarHBondContact OE2-OG 3.23Å; E181-A213 VanDerWaalsContact OE2-CB 3.24Å; E181-A213 WeakPolarHBondContact OE2-CB 3.33Å; E181-A213 PolarHBondContact OE2-N 3.36Å
182	E	82.5	Confident	80.3	Confident	83 Å²	83	54 Å²	54	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-32.1	177.2	-65.1	-178	-169.2	0	0	112.4	S179 Y186	S179-E182 PolarHBondContact O-N 3.32Å; E182-Y186 WeakPolarHBondContact O-CB 3.17Å; E182-Y186 PolarHBondContact O-N 2.76Å
183	Y	83.1	Confident	80.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-73.1	-42.7	174.1	177	-132.3	0	0	0	111.2	V166 Y169 L173 S179 A180 E181 E185 Y186 L187 E195 R199	V166-Y183 HydrophobicContact CG2-CE2 4.49Å; Y169-Y183 AromaticContact CD1-CD2 3.79Å; Y169-Y183 HydrophobicContact CD1-CD2 3.79Å; Y169-Y183 HydrophobicContact CD1-CG 4.26Å; Y169-Y183 AromaticContact CD2-CD2 3.99Å; Y169-Y183 HydrophobicContact CD2-CD2 3.99Å; Y169-Y183 HydrophobicContact CD2-CE2 4.33Å; Y169-Y183 AromaticContact CG-CD2 3.4Å; Y169-Y183 HydrophobicContact CG-CD2 3.4Å; Y169-Y183 AromaticContact CG-CE2 3.95Å; Y169-Y183 HydrophobicContact CG-CE2 3.95Å; Y169-Y183 HydrophobicContact CG-CG 4.25Å; L173-Y183 HydrophobicContact CD1-CD1 3.28Å; L173-Y183 HydrophobicContact CD1-CE1 3.81Å; L173-Y183 HydrophobicContact CD1-CG 3.86Å; L173-Y183 HydrophobicContact CG-CD1 4.43Å; S179-Y183 PolarHBondContact O-N 2.82Å; A180-Y183 WeakPolarHBondContact O-CB 3.46Å; A180-Y183 PolarHBondContact O-N 3.22Å; E181-Y183 PolarHBondContact O-N 3.22Å; Y183-E185 VanDerWaalsContact C-N 3.33Å; Y183-E185 PolarHBondContact O-N 3.47Å; Y183-Y186 PolarHBondContact O-N 3.02Å; Y183-L187 HydrophobicContact CD1-CD1 3.8Å; Y183-L187 HydrophobicContact CD2-CD1 4.02Å; Y183-L187 HydrophobicContact CD2-CD2 4.4Å; Y183-L187 HydrophobicContact CD2-CG 3.84Å; Y183-L187 HydrophobicContact CE1-CD1 3.53Å; Y183-L187 HydrophobicContact CE1-CG 4.34Å; Y183-L187 HydrophobicContact CE2-CD1 3.68Å; Y183-L187 HydrophobicContact CE2-CD2 3.65Å; Y183-L187 HydrophobicContact CE2-CG 3.54Å; Y183-L187 HydrophobicContact CG-CD1 4.11Å; Y183-L187 HydrophobicContact CG-CG 4.36Å; Y183-L187 VanDerWaalsContact CZ-CD1 3.47Å; Y183-L187 WeakPolarHBondContact O-CB 3.17Å; Y183-L187 VanDerWaalsContact O-CG 3.26Å; Y183-L187 WeakPolarHBondContact O-CG 3.49Å; Y183-L187 PolarHBondContact O-N 3.08Å; Y183-E195 PolarHBondContact OH-OE2 2.73Å; Y183-R199 HydrophobicContact CD1-CG 4.09Å; Y183-R199 HydrophobicContact CE1-CG 3.78Å
184	I	82.9	Confident	80.6	Confident	9 Å²	9	54 Å²	54	5%	0.046	28%	0.277	C	S	.	.	H	α-helix	trans	-59.6	-46.3	175.4	-68.4	162.4	0	0	0	109.7	A180 E181 Y186 L187 K188 A196 R199 L200	A180-I184 VanDerWaalsContact O-CG1 3.31Å; A180-I184 WeakPolarHBondContact O-CG1 3.38Å; A180-I184 PolarHBondContact O-N 2.71Å; E181-I184 PolarHBondContact O-N 2.76Å; E181-I184 VanDerWaalsContact O-N 3.1Å; I184-Y186 VanDerWaalsContact C-N 3.33Å; I184-Y186 PolarHBondContact O-N 3.2Å; I184-L187 PolarHBondContact O-N 2.72Å; I184-L187 VanDerWaalsContact O-N 3.16Å; I184-K188 WeakPolarHBondContact O-CG 3.41Å; I184-K188 PolarHBondContact O-N 2.64Å; I184-A196 HydrophobicContact CG2-CB 4.42Å; I184-R199 HydrophobicContact CG1-CB 4.14Å; I184-L200 HydrophobicContact CD1-CB 3.87Å; I184-L200 HydrophobicContact CD1-CD1 4.25Å; I184-L200 HydrophobicContact CD1-CG 4.09Å; I184-L200 HydrophobicContact CG1-CB 4.49Å; I184-L200 HydrophobicContact CG2-CD1 4.06Å
185	E	85.1	Confident	80.7	Confident	112 Å²	112	46.6 Å²	46.6	52%	0.523	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-42.2	175.1	-73.8	179.7	178.6	0	0	112.3	E181 Y183 L187 K188 S189	E181-E185 WeakPolarHBondContact O-CG 3.14Å; E181-E185 PolarHBondContact O-N 3.31Å; Y183-E185 VanDerWaalsContact C-N 3.33Å; Y183-E185 PolarHBondContact O-N 3.47Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 3.4Å; E185-K188 PolarHBondContact O-N 3.06Å; E185-S189 PolarHBondContact O-N 3.45Å
186	Y	83.7	Confident	81.1	Confident	15 Å²	15	43.1 Å²	43.1	6%	0.059	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-41.2	175	177.4	-100.8	0	0	0	112	R157 A165 Y169 E182 Y183 I184 S189 S190	R157-Y186 HydrophobicContact CG-CD2 3.75Å; R157-Y186 HydrophobicContact CG-CE2 3.69Å; A165-Y186 HydrophobicContact CB-CE1 3.54Å; A165-Y186 VanDerWaalsContact CB-CZ 3.44Å; A165-Y186 WeakPolarHBondContact CB-OH 3.41Å; Y169-Y186 AromaticContact CD2-CD1 3.47Å; Y169-Y186 HydrophobicContact CD2-CD1 3.47Å; Y169-Y186 VanDerWaalsContact CD2-CD1 3.47Å; Y169-Y186 AromaticContact CD2-CE1 3.84Å; Y169-Y186 HydrophobicContact CD2-CE1 3.84Å; Y169-Y186 AromaticContact CD2-CG 3.97Å; Y169-Y186 HydrophobicContact CD2-CG 3.97Å; Y169-Y186 AromaticContact CE2-CD1 3.22Å; Y169-Y186 HydrophobicContact CE2-CD1 3.22Å; Y169-Y186 AromaticContact CE2-CD2 3.7Å; Y169-Y186 HydrophobicContact CE2-CD2 3.7Å; Y169-Y186 AromaticContact CE2-CE1 3.66Å; Y169-Y186 HydrophobicContact CE2-CE1 3.66Å; Y169-Y186 HydrophobicContact CE2-CE2 4.09Å; Y169-Y186 AromaticContact CE2-CG 3.24Å; Y169-Y186 HydrophobicContact CE2-CG 3.24Å; Y169-Y186 HydrophobicContact CG-CD1 4.47Å; Y169-Y186 AromaticContact CZ-CG 3.62Å; E182-Y186 WeakPolarHBondContact O-CB 3.17Å; E182-Y186 PolarHBondContact O-N 2.76Å; Y183-Y186 PolarHBondContact O-N 3.02Å; I184-Y186 VanDerWaalsContact C-N 3.33Å; I184-Y186 PolarHBondContact O-N 3.2Å; Y186-S189 WeakPolarHBondContact CA-OG 3.31Å; Y186-S189 CarbonylContact O-C 3.55Å; Y186-S189 PolarHBondContact O-N 3.18Å; Y186-S189 PolarHBondContact O-OG 3.21Å; Y186-S190 WeakPolarHBondContact O-CB 3.46Å; Y186-S190 PolarHBondContact O-N 3.19Å; Y186-S190 PolarHBondContact O-OG 3.47Å
187	L	82.8	Confident	81.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-40.4	176.5	-71.3	172.6	0	0	0	111.6	V166 Y183 I184 E185 S189 S190 D191 R192 E195 A196	V166-L187 HydrophobicContact CG2-CD2 3.81Å; Y183-L187 HydrophobicContact CD1-CD1 3.8Å; Y183-L187 HydrophobicContact CD2-CD1 4.02Å; Y183-L187 HydrophobicContact CD2-CD2 4.4Å; Y183-L187 HydrophobicContact CD2-CG 3.84Å; Y183-L187 HydrophobicContact CE1-CD1 3.53Å; Y183-L187 HydrophobicContact CE1-CG 4.34Å; Y183-L187 HydrophobicContact CE2-CD1 3.68Å; Y183-L187 HydrophobicContact CE2-CD2 3.65Å; Y183-L187 HydrophobicContact CE2-CG 3.54Å; Y183-L187 HydrophobicContact CG-CD1 4.11Å; Y183-L187 HydrophobicContact CG-CG 4.36Å; Y183-L187 VanDerWaalsContact CZ-CD1 3.47Å; Y183-L187 WeakPolarHBondContact O-CB 3.17Å; Y183-L187 VanDerWaalsContact O-CG 3.26Å; Y183-L187 WeakPolarHBondContact O-CG 3.49Å; Y183-L187 PolarHBondContact O-N 3.08Å; I184-L187 PolarHBondContact O-N 2.72Å; I184-L187 VanDerWaalsContact O-N 3.16Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 3.4Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.1Å; L187-S190 WeakPolarHBondContact CA-OG 3.14Å; L187-S190 CarbonylContact O-C 3.51Å; L187-S190 PolarHBondContact O-N 3.21Å; L187-S190 PolarHBondContact O-OG 3.17Å; L187-D191 PolarHBondContact O-N 3.08Å; L187-R192 HydrophobicContact CD2-CB 3.83Å; L187-R192 PolarHBondContact O-N 2.91Å; L187-R192 VanDerWaalsContact O-N 3.07Å; L187-E195 HydrophobicContact CD1-CB 3.85Å; L187-E195 HydrophobicContact CD2-CB 4.03Å; L187-A196 HydrophobicContact CB-CB 3.71Å; L187-A196 HydrophobicContact CD1-CB 4.22Å
188	K	83.7	Confident	82	Confident	76 Å²	76	41.9 Å²	41.9	33%	0.33	21%	0.212	S	C	.	.	H	α-helix	trans	-58.2	-44.7	170.5	-67.4	-171.7	-159.2	-160.2	0	110.9	I184 E185 S190 D191 L193 A196 L227	I184-K188 WeakPolarHBondContact O-CG 3.41Å; I184-K188 PolarHBondContact O-N 2.64Å; E185-K188 PolarHBondContact O-N 3.06Å; K188-S190 VanDerWaalsContact C-N 3.3Å; K188-S190 PolarHBondContact O-N 3.43Å; K188-D191 PolarHBondContact O-N 3.09Å; K188-L193 HydrophobicContact CB-CD2 4.47Å; K188-L193 HydrophobicContact CG-CD2 4.45Å; K188-A196 HydrophobicContact CG-CB 4.49Å; K188-L227 HydrophobicContact CD-CD1 3.84Å; K188-L227 HydrophobicContact CG-CD1 3.73Å
189	S	85.3	Confident	82.4	Confident	90 Å²	90	41.3 Å²	41.3	63%	0.629	21%	0.205	S	C	*	.	H	α-helix	trans	-70.8	-20.2	178	74.1	0	0	0	0	115	E185 Y186 L187	E185-S189 PolarHBondContact O-N 3.45Å; Y186-S189 WeakPolarHBondContact CA-OG 3.31Å; Y186-S189 CarbonylContact O-C 3.55Å; Y186-S189 PolarHBondContact O-N 3.18Å; Y186-S189 PolarHBondContact O-OG 3.21Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.1Å
190	S	78.3	Confident	82.7	Confident	29 Å²	29	41.2 Å²	41.2	20%	0.203	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	15.4	-178.6	56	0	0	0	0	112.8	Y186 L187 K188 R192	Y186-S190 WeakPolarHBondContact O-CB 3.46Å; Y186-S190 PolarHBondContact O-N 3.19Å; Y186-S190 PolarHBondContact O-OG 3.47Å; L187-S190 WeakPolarHBondContact CA-OG 3.14Å; L187-S190 CarbonylContact O-C 3.51Å; L187-S190 PolarHBondContact O-N 3.21Å; L187-S190 PolarHBondContact O-OG 3.17Å; K188-S190 VanDerWaalsContact C-N 3.3Å; K188-S190 PolarHBondContact O-N 3.43Å; S190-R192 PolarHBondContact O-N 3.22Å
191	D	80	Confident	82.8	Confident	106 Å²	106	41.2 Å²	41.2	57%	0.567	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	13.8	-178.9	-83.4	-53.3	0	0	0	115.3	L187 K188 L193 K234	L187-D191 PolarHBondContact O-N 3.08Å; K188-D191 PolarHBondContact O-N 3.09Å; D191-L193 PolarHBondContact O-N 3.41Å; D191-L193 VanDerWaalsContact O-N 3.08Å; D191-K234 IonicContact OD1-NZ 3.85Å; D191-K234 PolarHBondContact OD1-NZ 3.07Å
192	R	80.7	Confident	83	Confident	62 Å²	62	44.2 Å²	44.2	23%	0.234	22%	0.224	C	C	.	.			trans	-89.2	62.1	175.8	-70.3	-169.3	-180	-153.2	1.4	110.9	L187 S190 D194 E195 A196	L187-R192 HydrophobicContact CD2-CB 3.83Å; L187-R192 PolarHBondContact O-N 2.91Å; L187-R192 VanDerWaalsContact O-N 3.07Å; S190-R192 PolarHBondContact O-N 3.22Å; R192-D194 VanDerWaalsContact C-N 3.31Å; R192-D194 PolarHBondContact O-N 3.41Å; R192-E195 IonicContact NH1-OE1 3.91Å; R192-E195 PolarHBondContact NH1-OE1 2.84Å; R192-E195 PolarHBondContact O-N 2.91Å; R192-A196 PolarHBondContact O-N 3.2Å
193	L	83.1	Confident	83	Confident	9 Å²	9	41 Å²	41	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-31.9	-173.4	-54.7	-174	0	0	0	112.7	K188 D191 E195 A196 A197 L227 N231 K234 V235	K188-L193 HydrophobicContact CB-CD2 4.47Å; K188-L193 HydrophobicContact CG-CD2 4.45Å; D191-L193 PolarHBondContact O-N 3.41Å; D191-L193 VanDerWaalsContact O-N 3.08Å; L193-E195 PolarHBondContact O-N 3.37Å; L193-A196 WeakPolarHBondContact O-CB 3.32Å; L193-A196 PolarHBondContact O-N 2.85Å; L193-A196 VanDerWaalsContact O-N 3.12Å; L193-A197 WeakPolarHBondContact O-CB 3.39Å; L193-A197 PolarHBondContact O-N 3.38Å; L193-L227 HydrophobicContact CB-CD2 4.47Å; L193-N231 HydrophobicContact CD1-CB 3.37Å; L193-N231 WeakPolarHBondContact CD1-ND2 3.32Å; L193-N231 WeakPolarHBondContact CD1-OD1 3.31Å; L193-K234 HydrophobicContact CB-CB 4.08Å; L193-K234 HydrophobicContact CD1-CB 4.14Å; L193-K234 HydrophobicContact CD1-CD 3.41Å; L193-K234 VanDerWaalsContact CD1-CD 3.41Å; L193-K234 HydrophobicContact CD1-CG 4.41Å; L193-K234 HydrophobicContact CG-CB 4.44Å; L193-K234 HydrophobicContact CG-CD 3.97Å; L193-V235 HydrophobicContact CB-CG2 4.41Å
194	D	83.1	Confident	82.8	Confident	44 Å²	44	41.2 Å²	41.2	24%	0.235	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-48.5	176.1	-161.7	41.2	0	0	0	112.1	R192 A196 A197 Q198 K234 Q236 S237	R192-D194 VanDerWaalsContact C-N 3.31Å; R192-D194 PolarHBondContact O-N 3.41Å; D194-A196 VanDerWaalsContact C-N 3.28Å; D194-A196 PolarHBondContact O-N 3.49Å; D194-A197 PolarHBondContact O-N 2.78Å; D194-Q198 WeakPolarHBondContact O-CG 3.15Å; D194-Q198 PolarHBondContact O-N 3.43Å; D194-K234 WeakPolarHBondContact CB-O 3.09Å; D194-Q236 PolarHBondContact OD1-N 3.33Å; D194-S237 VanDerWaalsContact OD1-CB 3.26Å; D194-S237 WeakPolarHBondContact OD1-CB 3.37Å; D194-S237 PolarHBondContact OD1-N 3.41Å; D194-S237 PolarHBondContact OD1-OG 3.36Å; D194-S237 VanDerWaalsContact OD2-CB 3.26Å; D194-S237 WeakPolarHBondContact OD2-CB 3.32Å; D194-S237 PolarHBondContact OD2-OG 3.11Å
195	E	81.6	Confident	82.6	Confident	31 Å²	31	45.4 Å²	45.4	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-34.8	175.9	-67.3	-169	-154.3	0	0	111.2	V166 R170 Y183 L187 R192 L193 R199	V166-E195 WeakPolarHBondContact CG1-OE2 3.38Å; R170-E195 IonicContact CZ-OE2 2.9Å; R170-E195 IonicContact NE-OE2 2.63Å; R170-E195 IonicContact NH2-OE1 3.19Å; R170-E195 PolarHBondContact NH2-OE1 3.14Å; R170-E195 IonicContact NH2-OE2 3.02Å; R170-E195 PolarHBondContact NH2-OE2 3.44Å; Y183-E195 PolarHBondContact OH-OE2 2.73Å; L187-E195 HydrophobicContact CD1-CB 3.85Å; L187-E195 HydrophobicContact CD2-CB 4.03Å; R192-E195 IonicContact NH1-OE1 3.91Å; R192-E195 PolarHBondContact NH1-OE1 2.84Å; R192-E195 PolarHBondContact O-N 2.91Å; L193-E195 PolarHBondContact O-N 3.37Å; E195-R199 WeakPolarHBondContact O-CB 3.44Å; E195-R199 WeakPolarHBondContact O-CG 3.5Å; E195-R199 PolarHBondContact O-N 3.33Å
196	A	84.8	Confident	82.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-46.3	178.1	0	0	0	0	0	110.4	I184 L187 K188 R192 L193 D194 R199 L200 L227	I184-A196 HydrophobicContact CG2-CB 4.42Å; L187-A196 HydrophobicContact CB-CB 3.71Å; L187-A196 HydrophobicContact CD1-CB 4.22Å; K188-A196 HydrophobicContact CG-CB 4.49Å; R192-A196 PolarHBondContact O-N 3.2Å; L193-A196 WeakPolarHBondContact O-CB 3.32Å; L193-A196 PolarHBondContact O-N 2.85Å; L193-A196 VanDerWaalsContact O-N 3.12Å; D194-A196 VanDerWaalsContact C-N 3.28Å; D194-A196 PolarHBondContact O-N 3.49Å; A196-R199 PolarHBondContact O-N 3.02Å; A196-L200 VanDerWaalsContact O-CB 3.25Å; A196-L200 WeakPolarHBondContact O-CB 3.2Å; A196-L200 PolarHBondContact O-N 2.97Å; A196-L227 HydrophobicContact CB-CD1 4.01Å
197	A	84.3	Confident	81.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-45.8	178.2	0	0	0	0	0	111.1	L193 D194 R199 L200 A201 L224 L227 I228 V235 L238	L193-A197 WeakPolarHBondContact O-CB 3.39Å; L193-A197 PolarHBondContact O-N 3.38Å; D194-A197 PolarHBondContact O-N 2.78Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-R199 PolarHBondContact O-N 3.44Å; A197-L200 PolarHBondContact O-N 3.33Å; A197-A201 VanDerWaalsContact O-CB 3.27Å; A197-A201 WeakPolarHBondContact O-CB 3.44Å; A197-A201 PolarHBondContact O-N 3.02Å; A197-L224 HydrophobicContact CB-CD1 4.47Å; A197-L224 WeakPolarHBondContact O-CD1 3.12Å; A197-L227 HydrophobicContact CB-CD2 3.7Å; A197-I228 HydrophobicContact CB-CG1 4.37Å; A197-V235 HydrophobicContact CB-CG1 3.83Å; A197-V235 HydrophobicContact CB-CG2 4.07Å; A197-L238 HydrophobicContact CB-CD1 3.6Å
198	Q	85	Confident	81.3	Confident	77 Å²	77	62.6 Å²	62.6	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-58.5	-45.9	175.9	-73.8	175.7	8.8	0	0	111.8	D194 A201 T202 S237 L238	D194-Q198 WeakPolarHBondContact O-CG 3.15Å; D194-Q198 PolarHBondContact O-N 3.43Å; Q198-A201 PolarHBondContact O-N 3.37Å; Q198-T202 WeakPolarHBondContact O-CG2 3.43Å; Q198-T202 PolarHBondContact O-N 2.69Å; Q198-T202 PolarHBondContact O-OG1 3.35Å; Q198-S237 WeakPolarHBondContact CG-OG 3.44Å; Q198-S237 PolarHBondContact NE2-OG 3.14Å; Q198-L238 HydrophobicContact CG-CD1 4.5Å; Q198-L238 HydrophobicContact CG-CD2 4.4Å; Q198-L238 HydrophobicContact CG-CG 4.31Å
199	R	81.8	Confident	80.9	Confident	93 Å²	93	60.9 Å²	60.9	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-42	-179.3	-70.2	-71.4	172.2	-161.8	-4.3	111.5	Y183 I184 E195 A196 A197 A201 T202 V203	Y183-R199 HydrophobicContact CD1-CG 4.09Å; Y183-R199 HydrophobicContact CE1-CG 3.78Å; I184-R199 HydrophobicContact CG1-CB 4.14Å; E195-R199 WeakPolarHBondContact O-CB 3.44Å; E195-R199 WeakPolarHBondContact O-CG 3.5Å; E195-R199 PolarHBondContact O-N 3.33Å; A196-R199 PolarHBondContact O-N 3.02Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-R199 PolarHBondContact O-N 3.44Å; R199-A201 VanDerWaalsContact C-N 3.35Å; R199-T202 WeakPolarHBondContact CA-OG1 3.35Å; R199-T202 PolarHBondContact O-N 3.49Å; R199-T202 PolarHBondContact O-OG1 3.07Å; R199-V203 VanDerWaalsContact O-CG2 3.28Å; R199-V203 WeakPolarHBondContact O-CG2 3.35Å; R199-V203 PolarHBondContact O-N 3.49Å
200	L	83.6	Confident	80.3	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-38.1	178	-160.7	156.6	0	0	0	110.6	I184 A196 A197 T202 V203 V204 L220 E223 L224	I184-L200 HydrophobicContact CD1-CB 3.87Å; I184-L200 HydrophobicContact CD1-CD1 4.25Å; I184-L200 HydrophobicContact CD1-CG 4.09Å; I184-L200 HydrophobicContact CG1-CB 4.49Å; I184-L200 HydrophobicContact CG2-CD1 4.06Å; A196-L200 VanDerWaalsContact O-CB 3.25Å; A196-L200 WeakPolarHBondContact O-CB 3.2Å; A196-L200 PolarHBondContact O-N 2.97Å; A197-L200 PolarHBondContact O-N 3.33Å; L200-T202 VanDerWaalsContact C-N 3.35Å; L200-T202 PolarHBondContact O-N 3.2Å; L200-V203 WeakPolarHBondContact O-CB 3.33Å; L200-V203 PolarHBondContact O-N 3.42Å; L200-V203 VanDerWaalsContact O-N 3.12Å; L200-V204 HydrophobicContact CD2-CG2 3.75Å; L200-V204 WeakPolarHBondContact O-CG2 2.99Å; L200-V204 PolarHBondContact O-N 3.24Å; L200-L220 VanDerWaalsContact CD2-O 3.28Å; L200-L220 WeakPolarHBondContact CD2-O 3.26Å; L200-E223 HydrophobicContact CD1-CB 4.22Å; L200-L224 HydrophobicContact CB-CD1 4.04Å; L200-L224 HydrophobicContact CD2-CB 3.26Å; L200-L224 HydrophobicContact CD2-CD1 3.56Å; L200-L224 HydrophobicContact CD2-CD2 4.2Å; L200-L224 HydrophobicContact CD2-CG 3.8Å; L200-L224 HydrophobicContact CG-CD1 4.4Å
201	A	82.9	Confident	80.1	Confident	8 Å²	8	61.4 Å²	61.4	7%	0.066	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-38.4	172	0	0	0	0	0	112.7	A197 Q198 R199 V203 N205 L224 L238	A197-A201 VanDerWaalsContact O-CB 3.27Å; A197-A201 WeakPolarHBondContact O-CB 3.44Å; A197-A201 PolarHBondContact O-N 3.02Å; Q198-A201 PolarHBondContact O-N 3.37Å; R199-A201 VanDerWaalsContact C-N 3.35Å; A201-V203 VanDerWaalsContact C-N 3.34Å; A201-N205 WeakPolarHBondContact O-CB 3.38Å; A201-N205 PolarHBondContact O-N 3.15Å; A201-N205 VanDerWaalsContact O-N 3.11Å; A201-N205 PolarHBondContact O-ND2 2.87Å; A201-N205 VanDerWaalsContact O-ND2 3.09Å; A201-L224 HydrophobicContact CB-CD1 4.33Å; A201-L224 HydrophobicContact CB-CD2 4.09Å; A201-L238 HydrophobicContact CB-CD1 4.34Å; A201-L238 HydrophobicContact CB-CD2 4.45Å
202	T	84	Confident	79.8	Confident	83 Å²	83	62.6 Å²	62.6	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-36.2	172.6	54.2	0	0	0	0	112.5	Q198 R199 L200 D206	Q198-T202 WeakPolarHBondContact O-CG2 3.43Å; Q198-T202 PolarHBondContact O-N 2.69Å; Q198-T202 PolarHBondContact O-OG1 3.35Å; R199-T202 WeakPolarHBondContact CA-OG1 3.35Å; R199-T202 PolarHBondContact O-N 3.49Å; R199-T202 PolarHBondContact O-OG1 3.07Å; L200-T202 VanDerWaalsContact C-N 3.35Å; L200-T202 PolarHBondContact O-N 3.2Å; T202-D206 PolarHBondContact O-N 3.47Å
203	V	82.7	Confident	79.4	Confident	15 Å²	15	62.8 Å²	62.8	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-43.9	178.1	165	0	0	0	0	111.1	A180 R199 L200 A201 D206 F209 L220	A180-V203 HydrophobicContact CB-CG2 3.87Å; R199-V203 VanDerWaalsContact O-CG2 3.28Å; R199-V203 WeakPolarHBondContact O-CG2 3.35Å; R199-V203 PolarHBondContact O-N 3.49Å; L200-V203 WeakPolarHBondContact O-CB 3.33Å; L200-V203 PolarHBondContact O-N 3.42Å; L200-V203 VanDerWaalsContact O-N 3.12Å; A201-V203 VanDerWaalsContact C-N 3.34Å; V203-D206 PolarHBondContact O-N 2.93Å; V203-F209 HydrophobicContact CG1-CB 4.39Å; V203-F209 HydrophobicContact CG1-CD1 3.31Å; V203-F209 HydrophobicContact CG1-CD2 4.16Å; V203-F209 HydrophobicContact CG1-CE1 3.42Å; V203-F209 VanDerWaalsContact CG1-CE1 3.42Å; V203-F209 HydrophobicContact CG1-CE2 4.27Å; V203-F209 HydrophobicContact CG1-CG 3.69Å; V203-F209 HydrophobicContact CG1-CZ 3.92Å; V203-F209 HydrophobicContact CG2-CE2 4.4Å; V203-L220 HydrophobicContact CG1-CD1 4Å
204	V	79.6	Confident	79.2	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.03	34%	0.343	C	S	.	.	H	α-helix	trans	-70.6	-36	-179	175.2	0	0	0	0	112.1	L200 D206 N217 L220 W221	L200-V204 HydrophobicContact CD2-CG2 3.75Å; L200-V204 WeakPolarHBondContact O-CG2 2.99Å; L200-V204 PolarHBondContact O-N 3.24Å; V204-D206 PolarHBondContact O-N 3.31Å; V204-N217 WeakPolarHBondContact CG1-OD1 3.42Å; V204-L220 HydrophobicContact CG2-CB 3.78Å; V204-W221 HydrophobicContact CG1-CB 3.93Å; V204-W221 HydrophobicContact CG1-CG 3.91Å; V204-W221 HydrophobicContact CG2-CB 4.46Å
205	N	78.1	Confident	79	Confident	97 Å²	97	66 Å²	66	52%	0.519	34%	0.344	S	S	.	.	H	α-helix	trans	-73.9	-13	176.4	-76	-41.4	0	0	0	113.5	A201 R250	A201-N205 WeakPolarHBondContact O-CB 3.38Å; A201-N205 PolarHBondContact O-N 3.15Å; A201-N205 VanDerWaalsContact O-N 3.11Å; A201-N205 PolarHBondContact O-ND2 2.87Å; A201-N205 VanDerWaalsContact O-ND2 3.09Å; N205-R250 PolarHBondContact OD1-NH1 2.94Å; N205-R250 PolarHBondContact OD1-NH2 3.12Å
206	D	78.6	Confident	79	Confident	79 Å²	79	67.1 Å²	67.1	42%	0.422	36%	0.355	S	S	.	.			trans	-91.7	104.4	175	-167.1	-3.8	0	0	0	110.4	T202 V203 V204 R208 F209	T202-D206 PolarHBondContact O-N 3.47Å; V203-D206 PolarHBondContact O-N 2.93Å; V204-D206 PolarHBondContact O-N 3.31Å; D206-R208 PolarHBondContact O-N 3.29Å; D206-R208 VanDerWaalsContact O-N 3.1Å; D206-R208 WeakPolarHBondContact OD1-CB 3.42Å; D206-R208 PolarHBondContact OD1-N 3.46Å; D206-F209 HydrophobicContact CB-CB 4.48Å; D206-F209 PolarHBondContact O-N 3.41Å
207	E	72.4	Confident	78.7	Confident	184 Å²	184	70.3 Å²	70.3	86%	0.86	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-18	178.8	-63.9	-179.2	172.2	0	0	113.2
208	R	74	Confident	78.4	Confident	224 Å²	224	72.4 Å²	72.4	85%	0.845	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.3	-178.6	-60.6	179.6	-179.7	-179.1	0.6	113.5	D206 V210	D206-R208 PolarHBondContact O-N 3.29Å; D206-R208 VanDerWaalsContact O-N 3.1Å; D206-R208 WeakPolarHBondContact OD1-CB 3.42Å; D206-R208 PolarHBondContact OD1-N 3.46Å; R208-V210 PolarHBondContact O-N 3.29Å
209	F	74	Confident	78.3	Confident	41 Å²	41	73.4 Å²	73.4	18%	0.18	39%	0.385	C	S	.	.			trans	-73.1	122.5	-175.7	-178	-95.9	0	0	0	111.3	A180 E181 V203 D206 L220	A180-F209 HydrophobicContact CB-CE2 4.06Å; A180-F209 HydrophobicContact CB-CZ 4.3Å; E181-F209 HydrophobicContact CG-CZ 4.25Å; V203-F209 HydrophobicContact CG1-CB 4.39Å; V203-F209 HydrophobicContact CG1-CD1 3.31Å; V203-F209 HydrophobicContact CG1-CD2 4.16Å; V203-F209 HydrophobicContact CG1-CE1 3.42Å; V203-F209 VanDerWaalsContact CG1-CE1 3.42Å; V203-F209 HydrophobicContact CG1-CE2 4.27Å; V203-F209 HydrophobicContact CG1-CG 3.69Å; V203-F209 HydrophobicContact CG1-CZ 3.92Å; V203-F209 HydrophobicContact CG2-CE2 4.4Å; D206-F209 HydrophobicContact CB-CB 4.48Å; D206-F209 PolarHBondContact O-N 3.41Å; F209-L220 HydrophobicContact CD1-CD1 3.95Å; F209-L220 HydrophobicContact CE1-CD1 3.95Å
210	V	73.7	Confident	78.2	Confident	120 Å²	120	69.4 Å²	69.4	73%	0.727	37%	0.37	S	S	*	.			trans	-110.7	116.9	170.9	-174.2	0	0	0	0	108.4	R208 K212	R208-V210 PolarHBondContact O-N 3.29Å; V210-K212 PolarHBondContact O-N 3.48Å
211	S	73.8	Confident	78.1	Confident	10 Å²	10	69.6 Å²	69.6	7%	0.07	37%	0.371	C	S	.	.			trans	-62.3	130.2	177.9	148.1	0	0	0	0	111.1	E181 A213 G214 K215	E181-S211 WeakPolarHBondContact OE1-CB 3.48Å; E181-S211 PolarHBondContact OE1-OG 2.82Å; E181-S211 PolarHBondContact OE2-OG 3.23Å; S211-A213 PolarHBondContact O-N 3.37Å; S211-A213 PolarHBondContact OG-N 3.06Å; S211-G214 PolarHBondContact O-N 3.48Å; S211-G214 VanDerWaalsContact O-N 3.09Å; S211-G214 PolarHBondContact OG-N 3.36Å; S211-K215 PolarHBondContact OG-N 3.11Å
212	K	74.1	Confident	78.1	Confident	130 Å²	130	71.5 Å²	71.5	57%	0.565	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.1	169.4	-98.3	-179.9	174.7	155.9	0	113	E178 V210 G214	E178-K212 HydrophobicContact CB-CD 4Å; E178-K212 HydrophobicContact CB-CG 4.23Å; E178-K212 WeakPolarHBondContact OE2-CE 3.46Å; E178-K212 IonicContact OE2-NZ 3.36Å; E178-K212 PolarHBondContact OE2-NZ 3.24Å; V210-K212 PolarHBondContact O-N 3.48Å; K212-G214 VanDerWaalsContact C-N 3.25Å; K212-G214 PolarHBondContact O-N 2.81Å
213	A	72.3	Confident	78	Confident	66 Å²	66	69.9 Å²	69.9	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	0.8	174.7	0	0	0	0	0	114	E181 S211 K215	E181-A213 VanDerWaalsContact OE2-CB 3.24Å; E181-A213 WeakPolarHBondContact OE2-CB 3.33Å; E181-A213 PolarHBondContact OE2-N 3.36Å; S211-A213 PolarHBondContact O-N 3.37Å; S211-A213 PolarHBondContact OG-N 3.06Å; A213-K215 HydrophobicContact CB-CG 4.27Å
214	G	78.6	Confident	78	Confident	66 Å²	66	69.2 Å²	69.2	68%	0.68	36%	0.361	S	S	*	.			trans	72.5	17.2	-177.1	0	0	0	0	0	116.7	S211 K212	S211-G214 PolarHBondContact O-N 3.48Å; S211-G214 VanDerWaalsContact O-N 3.09Å; S211-G214 PolarHBondContact OG-N 3.36Å; K212-G214 VanDerWaalsContact C-N 3.25Å; K212-G214 PolarHBondContact O-N 2.81Å
215	K	79.3	Confident	78.1	Confident	55 Å²	55	69 Å²	69	24%	0.239	36%	0.36	C	S	.	.			trans	-71.3	140.9	178.8	-61.9	178.5	-178.5	-177.4	0	112.2	S211 A213 Q219 L220 E223	S211-K215 PolarHBondContact OG-N 3.11Å; A213-K215 HydrophobicContact CB-CG 4.27Å; K215-Q219 VanDerWaalsContact CA-OE1 3.32Å; K215-Q219 HydrophobicContact CB-CB 4.45Å; K215-L220 HydrophobicContact CB-CD2 4.05Å; K215-L220 HydrophobicContact CB-CG 4.2Å; K215-L220 HydrophobicContact CD-CD2 3.95Å; K215-E223 WeakPolarHBondContact CD-OE1 3.37Å; K215-E223 WeakPolarHBondContact CE-OE1 3.48Å; K215-E223 VanDerWaalsContact NZ-CD 3.27Å; K215-E223 IonicContact NZ-OE1 2.72Å; K215-E223 PolarHBondContact NZ-OE1 3.17Å; K215-E223 IonicContact NZ-OE2 3.58Å; K215-E223 PolarHBondContact NZ-OE2 3.27Å
216	S	81	Confident	78.4	Confident	55 Å²	55	66.8 Å²	66.8	39%	0.385	35%	0.348	S	S	.	.			trans	-77	158	175	75.8	0	0	0	0	111.7	Y218 Q219 L220	S216-Y218 PolarHBondContact O-N 3.41Å; S216-Q219 WeakPolarHBondContact O-CB 3.28Å; S216-Q219 PolarHBondContact O-N 3Å; S216-Q219 WeakPolarHBondContact OG-CG 3.37Å; S216-Q219 PolarHBondContact OG-N 3.06Å; S216-L220 PolarHBondContact O-N 2.92Å
217	N	79.3	Confident	78.5	Confident	66 Å²	66	63.4 Å²	63.4	35%	0.353	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-38.7	177.2	-164.5	-4	0	0	0	111.6	V204 Q219 L220 W221	V204-N217 WeakPolarHBondContact CG1-OD1 3.42Å; N217-Q219 PolarHBondContact O-N 3.33Å; N217-L220 PolarHBondContact O-N 3.46Å; N217-W221 WeakPolarHBondContact O-CB 3.23Å; N217-W221 PolarHBondContact O-N 3.33Å
218	Y	77	Confident	78.9	Confident	45 Å²	45	54.6 Å²	54.6	18%	0.176	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-40	172.9	177.7	-101.7	0	0	0	112.8	S216 W221 H222 F251 Q254	S216-Y218 PolarHBondContact O-N 3.41Å; Y218-W221 PolarHBondContact O-N 3.33Å; Y218-H222 WeakPolarHBondContact O-CB 3.27Å; Y218-H222 PolarHBondContact O-N 3.44Å; Y218-F251 HydrophobicContact CD2-CD1 4.26Å; Y218-F251 HydrophobicContact CD2-CD2 4.36Å; Y218-F251 HydrophobicContact CD2-CG 4.14Å; Y218-Q254 WeakPolarHBondContact OH-CB 3.5Å; Y218-Q254 PolarHBondContact OH-OE1 3.41Å
219	Q	82.7	Confident	79.2	Confident	98 Å²	98	44.1 Å²	44.1	46%	0.458	25%	0.249	S	C	.	.	H	α-helix	trans	-66.4	-41.8	175.7	-74.5	170.1	-7.9	0	0	111.9	K215 S216 N217 W221 H222 E223	K215-Q219 VanDerWaalsContact CA-OE1 3.32Å; K215-Q219 HydrophobicContact CB-CB 4.45Å; S216-Q219 WeakPolarHBondContact O-CB 3.28Å; S216-Q219 PolarHBondContact O-N 3Å; S216-Q219 WeakPolarHBondContact OG-CG 3.37Å; S216-Q219 PolarHBondContact OG-N 3.06Å; N217-Q219 PolarHBondContact O-N 3.33Å; Q219-W221 VanDerWaalsContact C-N 3.29Å; Q219-W221 PolarHBondContact O-N 3.41Å; Q219-H222 PolarHBondContact O-N 2.91Å; Q219-E223 WeakPolarHBondContact O-CB 3.49Å; Q219-E223 WeakPolarHBondContact O-CG 3.35Å; Q219-E223 PolarHBondContact O-N 3.24Å
220	L	80.4	Confident	79.5	Confident	8 Å²	8	46.9 Å²	46.9	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-42.8	173.4	-65.6	173.6	0	0	0	110.3	L200 V203 V204 F209 K215 S216 N217 H222 E223 L224	L200-L220 VanDerWaalsContact CD2-O 3.28Å; L200-L220 WeakPolarHBondContact CD2-O 3.26Å; V203-L220 HydrophobicContact CG1-CD1 4Å; V204-L220 HydrophobicContact CG2-CB 3.78Å; F209-L220 HydrophobicContact CD1-CD1 3.95Å; F209-L220 HydrophobicContact CE1-CD1 3.95Å; K215-L220 HydrophobicContact CB-CD2 4.05Å; K215-L220 HydrophobicContact CB-CG 4.2Å; K215-L220 HydrophobicContact CD-CD2 3.95Å; S216-L220 PolarHBondContact O-N 2.92Å; N217-L220 PolarHBondContact O-N 3.46Å; L220-H222 VanDerWaalsContact C-N 3.35Å; L220-H222 PolarHBondContact O-N 2.97Å; L220-E223 CarbonylContact O-C 3.59Å; L220-E223 WeakPolarHBondContact O-CB 3.44Å; L220-E223 PolarHBondContact O-N 3.46Å; L220-L224 PolarHBondContact O-N 3.35Å
221	W	82.2	Confident	79.6	Confident	6 Å²	6	43.2 Å²	43.2	2%	0.023	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-37	177.3	-158.5	64.9	0	0	0	112.9	V204 N217 Y218 Q219 L224 C225 I243 I244 F251 L258	V204-W221 HydrophobicContact CG1-CB 3.93Å; V204-W221 HydrophobicContact CG1-CG 3.91Å; V204-W221 HydrophobicContact CG2-CB 4.46Å; N217-W221 WeakPolarHBondContact O-CB 3.23Å; N217-W221 PolarHBondContact O-N 3.33Å; Y218-W221 PolarHBondContact O-N 3.33Å; Q219-W221 VanDerWaalsContact C-N 3.29Å; Q219-W221 PolarHBondContact O-N 3.41Å; W221-L224 VanDerWaalsContact O-CB 3.23Å; W221-L224 WeakPolarHBondContact O-CB 3.26Å; W221-L224 PolarHBondContact O-N 2.86Å; W221-C225 PolarHBondContact O-N 2.9Å; W221-C225 PolarHBondContact O-SG 2.91Å; W221-I243 WeakPolarHBondContact CZ2-O 3.26Å; W221-I244 HydrophobicContact CH2-CG2 4.2Å; W221-I244 WeakPolarHBondContact CH2-O 3.35Å; W221-F251 HydrophobicContact CB-CE2 4.16Å; W221-F251 HydrophobicContact CD2-CD2 4.23Å; W221-F251 AromaticContact CD2-CE2 3.94Å; W221-F251 HydrophobicContact CD2-CE2 3.94Å; W221-F251 AromaticContact CE3-CD2 3.87Å; W221-F251 HydrophobicContact CE3-CD2 3.87Å; W221-F251 HydrophobicContact CE3-CE2 4Å; W221-F251 AromaticContact CG-CE2 3.96Å; W221-F251 HydrophobicContact CG-CE2 3.96Å; W221-F251 HydrophobicContact CZ3-CD2 4.32Å; W221-L258 HydrophobicContact CE3-CD1 4.29Å; W221-L258 HydrophobicContact CE3-CD2 3.74Å; W221-L258 HydrophobicContact CH2-CB 4.46Å; W221-L258 HydrophobicContact CH2-CD1 4.14Å; W221-L258 HydrophobicContact CH2-CD2 4.08Å; W221-L258 HydrophobicContact CH2-CG 4.37Å; W221-L258 HydrophobicContact CZ3-CB 4.18Å; W221-L258 HydrophobicContact CZ3-CD1 3.39Å; W221-L258 HydrophobicContact CZ3-CD2 3.14Å; W221-L258 HydrophobicContact CZ3-CG 3.63Å
222	H	82.4	Confident	79.6	Confident	49 Å²	49	43.2 Å²	43.2	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-42.4	170.9	-167	-72.4	0	0	0	111.2	Y218 Q219 L220 L224 C225 D226	Y218-H222 WeakPolarHBondContact O-CB 3.27Å; Y218-H222 PolarHBondContact O-N 3.44Å; Q219-H222 PolarHBondContact O-N 2.91Å; L220-H222 VanDerWaalsContact C-N 3.35Å; L220-H222 PolarHBondContact O-N 2.97Å; H222-L224 VanDerWaalsContact C-N 3.26Å; H222-L224 PolarHBondContact O-N 3.24Å; H222-C225 PolarHBondContact O-N 3.12Å; H222-C225 VanDerWaalsContact O-N 3.14Å; H222-D226 VanDerWaalsContact CE1-CG 3.47Å; H222-D226 IonicContact CE1-OD1 2.7Å; H222-D226 PolarHBondContact CE1-OD1 3.2Å; H222-D226 IonicContact CE1-OD2 3.63Å; H222-D226 PolarHBondContact CE1-OD2 3.31Å; H222-D226 VanDerWaalsContact ND1-CG 3.3Å; H222-D226 IonicContact ND1-OD1 3.09Å; H222-D226 PolarHBondContact ND1-OD1 2.81Å; H222-D226 IonicContact ND1-OD2 2.67Å; H222-D226 PolarHBondContact ND1-OD2 3.18Å; H222-D226 WeakPolarHBondContact O-CB 3.31Å; H222-D226 VanDerWaalsContact O-CG 3.24Å; H222-D226 PolarHBondContact O-N 2.92Å
223	E	82.6	Confident	79.6	Confident	48 Å²	48	43 Å²	43	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-31.4	173.8	-75.4	-176.9	-165.5	0	0	112.6	L200 K215 Q219 L220 L227	L200-E223 HydrophobicContact CD1-CB 4.22Å; K215-E223 WeakPolarHBondContact CD-OE1 3.37Å; K215-E223 WeakPolarHBondContact CE-OE1 3.48Å; K215-E223 VanDerWaalsContact NZ-CD 3.27Å; K215-E223 IonicContact NZ-OE1 2.72Å; K215-E223 PolarHBondContact NZ-OE1 3.17Å; K215-E223 IonicContact NZ-OE2 3.58Å; K215-E223 PolarHBondContact NZ-OE2 3.27Å; Q219-E223 WeakPolarHBondContact O-CB 3.49Å; Q219-E223 WeakPolarHBondContact O-CG 3.35Å; Q219-E223 PolarHBondContact O-N 3.24Å; L220-E223 CarbonylContact O-C 3.59Å; L220-E223 WeakPolarHBondContact O-CB 3.44Å; L220-E223 PolarHBondContact O-N 3.46Å; E223-L227 VanDerWaalsContact O-CB 3.22Å; E223-L227 WeakPolarHBondContact O-CB 3.24Å; E223-L227 PolarHBondContact O-N 2.96Å
224	L	82.8	Confident	79.7	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-53.5	170.1	-167.8	52.6	0	0	0	110	A197 L200 A201 L220 W221 H222 D226 L227 I228 I243	A197-L224 HydrophobicContact CB-CD1 4.47Å; A197-L224 WeakPolarHBondContact O-CD1 3.12Å; L200-L224 HydrophobicContact CB-CD1 4.04Å; L200-L224 HydrophobicContact CD2-CB 3.26Å; L200-L224 HydrophobicContact CD2-CD1 3.56Å; L200-L224 HydrophobicContact CD2-CD2 4.2Å; L200-L224 HydrophobicContact CD2-CG 3.8Å; L200-L224 HydrophobicContact CG-CD1 4.4Å; A201-L224 HydrophobicContact CB-CD1 4.33Å; A201-L224 HydrophobicContact CB-CD2 4.09Å; L220-L224 PolarHBondContact O-N 3.35Å; W221-L224 VanDerWaalsContact O-CB 3.23Å; W221-L224 WeakPolarHBondContact O-CB 3.26Å; W221-L224 PolarHBondContact O-N 2.86Å; H222-L224 VanDerWaalsContact C-N 3.26Å; H222-L224 PolarHBondContact O-N 3.24Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 2.86Å; L224-L227 PolarHBondContact O-N 3.48Å; L224-I228 HydrophobicContact CD1-CD1 3.77Å; L224-I228 HydrophobicContact CD1-CG1 4.36Å; L224-I228 HydrophobicContact CG-CD1 3.73Å; L224-I228 WeakPolarHBondContact O-CB 3.47Å; L224-I228 WeakPolarHBondContact O-CG1 3.46Å; L224-I228 PolarHBondContact O-N 3.02Å; L224-I243 HydrophobicContact CD2-CG2 3.88Å
225	C	80.9	Confident	79.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-42.2	-176.9	-64.6	0	0	0	0	110.9	W221 H222 I228 S229	W221-C225 PolarHBondContact O-N 2.9Å; W221-C225 PolarHBondContact O-SG 2.91Å; H222-C225 PolarHBondContact O-N 3.12Å; H222-C225 VanDerWaalsContact O-N 3.14Å; C225-I228 PolarHBondContact O-N 3.3Å; C225-S229 WeakPolarHBondContact O-CB 3.25Å; C225-S229 PolarHBondContact O-N 3.37Å; C225-S229 PolarHBondContact O-OG 3.35Å
226	D	83.6	Confident	79.1	Confident	50 Å²	50	46.5 Å²	46.5	27%	0.267	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-42.8	176.5	-70.4	-20.4	0	0	0	112.1	H222 L224 I228 S229 Q230	H222-D226 VanDerWaalsContact CE1-CG 3.47Å; H222-D226 IonicContact CE1-OD1 2.7Å; H222-D226 PolarHBondContact CE1-OD1 3.2Å; H222-D226 IonicContact CE1-OD2 3.63Å; H222-D226 PolarHBondContact CE1-OD2 3.31Å; H222-D226 VanDerWaalsContact ND1-CG 3.3Å; H222-D226 IonicContact ND1-OD1 3.09Å; H222-D226 PolarHBondContact ND1-OD1 2.81Å; H222-D226 IonicContact ND1-OD2 2.67Å; H222-D226 PolarHBondContact ND1-OD2 3.18Å; H222-D226 WeakPolarHBondContact O-CB 3.31Å; H222-D226 VanDerWaalsContact O-CG 3.24Å; H222-D226 PolarHBondContact O-N 2.92Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 2.86Å; D226-I228 VanDerWaalsContact C-N 3.29Å; D226-I228 PolarHBondContact O-N 3.19Å; D226-S229 WeakPolarHBondContact CA-OG 3.34Å; D226-S229 PolarHBondContact O-OG 2.99Å; D226-Q230 VanDerWaalsContact O-CB 3.22Å; D226-Q230 WeakPolarHBondContact O-CB 3.43Å; D226-Q230 WeakPolarHBondContact O-CG 3.36Å; D226-Q230 PolarHBondContact O-N 2.91Å
227	L	82	Confident	78.5	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-41.7	179	-179.8	145.5	0	0	0	110.9	K188 L193 A196 A197 E223 L224 N231 V235	K188-L227 HydrophobicContact CD-CD1 3.84Å; K188-L227 HydrophobicContact CG-CD1 3.73Å; L193-L227 HydrophobicContact CB-CD2 4.47Å; A196-L227 HydrophobicContact CB-CD1 4.01Å; A197-L227 HydrophobicContact CB-CD2 3.7Å; E223-L227 VanDerWaalsContact O-CB 3.22Å; E223-L227 WeakPolarHBondContact O-CB 3.24Å; E223-L227 PolarHBondContact O-N 2.96Å; L224-L227 PolarHBondContact O-N 3.48Å; L227-N231 PolarHBondContact O-N 3.24Å; L227-N231 PolarHBondContact O-ND2 2.97Å; L227-V235 HydrophobicContact CD2-CG2 4.18Å
228	I	81.4	Confident	78.1	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-48.4	179.1	-67.7	170.5	0	0	0	110.4	A197 L224 C225 D226 Q230 N231 V235 V240 Y265	A197-I228 HydrophobicContact CB-CG1 4.37Å; L224-I228 HydrophobicContact CD1-CD1 3.77Å; L224-I228 HydrophobicContact CD1-CG1 4.36Å; L224-I228 HydrophobicContact CG-CD1 3.73Å; L224-I228 WeakPolarHBondContact O-CB 3.47Å; L224-I228 WeakPolarHBondContact O-CG1 3.46Å; L224-I228 PolarHBondContact O-N 3.02Å; C225-I228 PolarHBondContact O-N 3.3Å; D226-I228 VanDerWaalsContact C-N 3.29Å; D226-I228 PolarHBondContact O-N 3.19Å; I228-Q230 VanDerWaalsContact C-N 3.28Å; I228-Q230 PolarHBondContact O-N 2.77Å; I228-N231 CarbonylContact O-C 3.6Å; I228-N231 PolarHBondContact O-N 2.82Å; I228-V235 HydrophobicContact CG1-CG1 4.49Å; I228-V240 HydrophobicContact CG2-CB 3.95Å; I228-V240 HydrophobicContact CG2-CG1 3.31Å; I228-V240 HydrophobicContact CG2-CG2 3.41Å; I228-V240 VanDerWaalsContact CG2-CG2 3.41Å; I228-Y265 HydrophobicContact CG2-CD2 3.65Å; I228-Y265 HydrophobicContact CG2-CE2 3.81Å; I228-Y265 HydrophobicContact CG2-CG 4.49Å; I228-Y265 WeakPolarHBondContact O-CD2 3.19Å
229	S	78.8	Confident	78.1	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-35.9	-178.4	71.7	0	0	0	0	111.6	C225 D226 S261 R268	C225-S229 WeakPolarHBondContact O-CB 3.25Å; C225-S229 PolarHBondContact O-N 3.37Å; C225-S229 PolarHBondContact O-OG 3.35Å; D226-S229 WeakPolarHBondContact CA-OG 3.34Å; D226-S229 PolarHBondContact O-OG 2.99Å; S229-S261 VanDerWaalsContact CB-O 3.31Å; S229-S261 WeakPolarHBondContact CB-O 3.41Å; S229-R268 WeakPolarHBondContact O-CD 3.11Å; S229-R268 PolarHBondContact O-NE 3.26Å
230	Q	80.6	Confident	77.8	Confident	99 Å²	99	44.7 Å²	44.7	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-73.9	-27.5	180	-71.7	175.8	16.9	0	0	114.1	D226 I228 R268	D226-Q230 VanDerWaalsContact O-CB 3.22Å; D226-Q230 WeakPolarHBondContact O-CB 3.43Å; D226-Q230 WeakPolarHBondContact O-CG 3.36Å; D226-Q230 PolarHBondContact O-N 2.91Å; I228-Q230 VanDerWaalsContact C-N 3.28Å; I228-Q230 PolarHBondContact O-N 2.77Å; Q230-R268 VanDerWaalsContact CA-NH1 3.34Å; Q230-R268 PolarHBondContact O-NH1 3.2Å; Q230-R268 VanDerWaalsContact O-NH1 3.17Å
231	N	76.5	Confident	77.7	Confident	44 Å²	44	46.7 Å²	46.7	24%	0.235	24%	0.238	C	C	.	.			trans	-135	68	-172.1	-55.8	-85.1	0	0	0	113.4	L193 L227 I228 D233 K234	L193-N231 HydrophobicContact CD1-CB 3.37Å; L193-N231 WeakPolarHBondContact CD1-ND2 3.32Å; L193-N231 WeakPolarHBondContact CD1-OD1 3.31Å; L227-N231 PolarHBondContact O-N 3.24Å; L227-N231 PolarHBondContact O-ND2 2.97Å; I228-N231 CarbonylContact O-C 3.6Å; I228-N231 PolarHBondContact O-N 2.82Å; N231-D233 PolarHBondContact O-N 3.34Å; N231-K234 HydrophobicContact CB-CB 4.34Å; N231-K234 HydrophobicContact CB-CD 4.44Å; N231-K234 PolarHBondContact O-N 3.14Å
232	P	73.5	Confident	77.6	Confident	10 Å²	10	49.2 Å²	49.2	7%	0.065	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-63.1	-41.4	-176.9	-22	33.3	0	0	0	114.4	K234 V235 Y265 R268 S269	P232-K234 PolarHBondContact O-N 3.42Å; P232-V235 PolarHBondContact O-N 3.48Å; P232-Y265 HydrophobicContact CB-CD2 3.85Å; P232-Y265 HydrophobicContact CB-CE2 3.56Å; P232-Y265 HydrophobicContact CG-CD2 3.87Å; P232-Y265 HydrophobicContact CG-CE2 4.13Å; P232-Y265 WeakPolarHBondContact CG-O 3.45Å; P232-R268 HydrophobicContact CG-CB 3.49Å; P232-R268 VanDerWaalsContact CG-CB 3.49Å; P232-S269 WeakPolarHBondContact CB-OG 3.23Å
233	D	73.9	Confident	77.3	Confident	125 Å²	125	48.5 Å²	48.5	67%	0.668	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.1	-175.6	-56.2	-27.6	0	0	0	113.2	N231 Q236	N231-D233 PolarHBondContact O-N 3.34Å; D233-Q236 PolarHBondContact O-NE2 2.83Å
234	K	73.9	Confident	77.2	Confident	91 Å²	91	46.2 Å²	46.2	40%	0.396	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-90.2	-15.5	-173.6	-68.2	177.5	174	176	0	112.8	D191 L193 D194 N231 P232	D191-K234 IonicContact OD1-NZ 3.85Å; D191-K234 PolarHBondContact OD1-NZ 3.07Å; L193-K234 HydrophobicContact CB-CB 4.08Å; L193-K234 HydrophobicContact CD1-CB 4.14Å; L193-K234 HydrophobicContact CD1-CD 3.41Å; L193-K234 VanDerWaalsContact CD1-CD 3.41Å; L193-K234 HydrophobicContact CD1-CG 4.41Å; L193-K234 HydrophobicContact CG-CB 4.44Å; L193-K234 HydrophobicContact CG-CD 3.97Å; D194-K234 WeakPolarHBondContact CB-O 3.09Å; N231-K234 HydrophobicContact CB-CB 4.34Å; N231-K234 HydrophobicContact CB-CD 4.44Å; N231-K234 PolarHBondContact O-N 3.14Å; P232-K234 PolarHBondContact O-N 3.42Å
235	V	73.4	Confident	77.1	Confident	3 Å²	3	50 Å²	50	2%	0.018	26%	0.261	C	S	.	.			trans	-111.3	90.8	-179.3	-175.5	0	0	0	0	109.1	L193 A197 L227 I228 P232 L238	L193-V235 HydrophobicContact CB-CG2 4.41Å; A197-V235 HydrophobicContact CB-CG1 3.83Å; A197-V235 HydrophobicContact CB-CG2 4.07Å; L227-V235 HydrophobicContact CD2-CG2 4.18Å; I228-V235 HydrophobicContact CG1-CG1 4.49Å; P232-V235 PolarHBondContact O-N 3.48Å; V235-L238 HydrophobicContact CG1-CB 4.24Å; V235-L238 HydrophobicContact CG1-CD1 4.23Å
236	Q	71.5	Confident	77.1	Confident	167 Å²	167	51.1 Å²	51.1	78%	0.78	27%	0.273	S	S	*	.			trans	-101.9	-21.8	-178.2	-64	-178.1	2.5	0	0	112.7	D194 D233 L238	D194-Q236 PolarHBondContact OD1-N 3.33Å; D233-Q236 PolarHBondContact O-NE2 2.83Å; Q236-L238 PolarHBondContact O-N 2.85Å
237	S	69.4	Low	76.7	Confident	54 Å²	54	48.8 Å²	48.8	38%	0.378	26%	0.261	S	S	.	.	S	Bend	trans	-81.1	-14.6	-170.1	64.6	0	0	0	0	114.9	D194 Q198	D194-S237 VanDerWaalsContact OD1-CB 3.26Å; D194-S237 WeakPolarHBondContact OD1-CB 3.37Å; D194-S237 PolarHBondContact OD1-N 3.41Å; D194-S237 PolarHBondContact OD1-OG 3.36Å; D194-S237 VanDerWaalsContact OD2-CB 3.26Å; D194-S237 WeakPolarHBondContact OD2-CB 3.32Å; D194-S237 PolarHBondContact OD2-OG 3.11Å; Q198-S237 WeakPolarHBondContact CG-OG 3.44Å; Q198-S237 PolarHBondContact NE2-OG 3.14Å
238	L	70.6	Confident	76.4	Confident	34 Å²	34	49.4 Å²	49.4	18%	0.178	26%	0.264	C	S	.	.	S	Bend	trans	-111.4	134.9	-175.5	-69.6	170.7	0	0	0	109.8	A197 Q198 A201 V235 Q236 V240 I243	A197-L238 HydrophobicContact CB-CD1 3.6Å; Q198-L238 HydrophobicContact CG-CD1 4.5Å; Q198-L238 HydrophobicContact CG-CD2 4.4Å; Q198-L238 HydrophobicContact CG-CG 4.31Å; A201-L238 HydrophobicContact CB-CD1 4.34Å; A201-L238 HydrophobicContact CB-CD2 4.45Å; V235-L238 HydrophobicContact CG1-CB 4.24Å; V235-L238 HydrophobicContact CG1-CD1 4.23Å; Q236-L238 PolarHBondContact O-N 2.85Å; L238-V240 PolarHBondContact O-N 3.03Å; L238-I243 HydrophobicContact CB-CD1 3.73Å; L238-I243 HydrophobicContact CD1-CD1 4.07Å; L238-I243 HydrophobicContact CD2-CD1 3.85Å; L238-I243 HydrophobicContact CG-CD1 4.09Å
239	N	76.7	Confident	76.1	Confident	134 Å²	134	54.7 Å²	54.7	72%	0.717	30%	0.297	S	S	*	.			trans	-72.2	85.9	166.9	-69.5	-18.8	0	0	0	108.3	D241 A242 I243	N239-D241 VanDerWaalsContact C-N 3.29Å; N239-D241 PolarHBondContact O-N 3.26Å; N239-A242 HydrophobicContact CB-CB 3.99Å; N239-A242 PolarHBondContact O-N 3.42Å; N239-A242 VanDerWaalsContact O-N 3.15Å; N239-I243 WeakPolarHBondContact O-CG1 3.46Å; N239-I243 PolarHBondContact O-N 3.43Å; N239-I243 VanDerWaalsContact O-N 3.12Å
240	V	76.3	Confident	76	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-52.8	-47.2	-175.2	170.2	0	0	0	0	111.8	I228 L238 A242 I243 I244 Y265	I228-V240 HydrophobicContact CG2-CB 3.95Å; I228-V240 HydrophobicContact CG2-CG1 3.31Å; I228-V240 HydrophobicContact CG2-CG2 3.41Å; I228-V240 VanDerWaalsContact CG2-CG2 3.41Å; L238-V240 PolarHBondContact O-N 3.03Å; V240-A242 PolarHBondContact O-N 3.07Å; V240-I243 PolarHBondContact O-N 2.94Å; V240-I243 VanDerWaalsContact O-N 3.13Å; V240-I244 HydrophobicContact CG1-CD1 3.67Å; V240-I244 HydrophobicContact CG1-CG1 4.32Å; V240-I244 PolarHBondContact O-N 3.02Å; V240-Y265 HydrophobicContact CB-CD1 4.41Å; V240-Y265 HydrophobicContact CB-CE1 3.89Å; V240-Y265 HydrophobicContact CB-CE2 4.03Å; V240-Y265 HydrophobicContact CG1-CD1 3.72Å; V240-Y265 HydrophobicContact CG1-CD2 3.81Å; V240-Y265 HydrophobicContact CG1-CE1 3.72Å; V240-Y265 HydrophobicContact CG1-CE2 3.79Å; V240-Y265 HydrophobicContact CG1-CG 3.76Å; V240-Y265 HydrophobicContact CG2-CD2 4.47Å; V240-Y265 HydrophobicContact CG2-CE1 4.35Å; V240-Y265 HydrophobicContact CG2-CE2 3.69Å
241	D	78.8	Confident	75.6	Confident	49 Å²	49	59.4 Å²	59.4	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-58.5	-45.8	-179.7	-170.2	79.7	0	0	0	111.6	N239 I243 I244 R245 Y266	N239-D241 VanDerWaalsContact C-N 3.29Å; N239-D241 PolarHBondContact O-N 3.26Å; D241-I243 VanDerWaalsContact C-N 3.31Å; D241-I243 PolarHBondContact O-N 2.9Å; D241-I244 PolarHBondContact O-N 2.97Å; D241-R245 VanDerWaalsContact CG-NE 3.32Å; D241-R245 WeakPolarHBondContact O-CB 3.48Å; D241-R245 WeakPolarHBondContact O-CG 3.44Å; D241-R245 PolarHBondContact O-N 3.11Å; D241-R245 IonicContact OD1-CZ 2.97Å; D241-R245 IonicContact OD1-NE 2.84Å; D241-R245 PolarHBondContact OD1-NE 3.42Å; D241-R245 IonicContact OD1-NH2 3.31Å; D241-R245 WeakPolarHBondContact OD2-CD 3.49Å; D241-R245 IonicContact OD2-CZ 3.24Å; D241-R245 IonicContact OD2-NE 3.93Å; D241-R245 PolarHBondContact OD2-NE 2.8Å; D241-Y266 PolarHBondContact OD1-OH 3.4Å
242	A	80.3	Confident	75.4	Confident	59 Å²	59	61.9 Å²	61.9	49%	0.488	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-33.3	178.1	0	0	0	0	0	112.8	N239 V240 G246	N239-A242 HydrophobicContact CB-CB 3.99Å; N239-A242 PolarHBondContact O-N 3.42Å; N239-A242 VanDerWaalsContact O-N 3.15Å; V240-A242 PolarHBondContact O-N 3.07Å; A242-G246 WeakPolarHBondContact O-CA 3.25Å; A242-G246 PolarHBondContact O-N 3.27Å
243	I	76.8	Confident	75	Confident	35 Å²	35	67.1 Å²	67.1	18%	0.179	36%	0.356	C	S	.	.	H	α-helix	trans	-71.9	-50.4	178.4	-65.4	170.1	0	0	0	110.1	W221 L224 L238 N239 V240 D241 G246 G247	W221-I243 WeakPolarHBondContact CZ2-O 3.26Å; L224-I243 HydrophobicContact CD2-CG2 3.88Å; L238-I243 HydrophobicContact CB-CD1 3.73Å; L238-I243 HydrophobicContact CD1-CD1 4.07Å; L238-I243 HydrophobicContact CD2-CD1 3.85Å; L238-I243 HydrophobicContact CG-CD1 4.09Å; N239-I243 WeakPolarHBondContact O-CG1 3.46Å; N239-I243 PolarHBondContact O-N 3.43Å; N239-I243 VanDerWaalsContact O-N 3.12Å; V240-I243 PolarHBondContact O-N 2.94Å; V240-I243 VanDerWaalsContact O-N 3.13Å; D241-I243 VanDerWaalsContact C-N 3.31Å; D241-I243 PolarHBondContact O-N 2.9Å; I243-G246 CarbonylContact O-C 3.59Å; I243-G246 WeakPolarHBondContact O-CA 3.45Å; I243-G246 PolarHBondContact O-N 3.42Å; I243-G246 VanDerWaalsContact O-N 3.09Å; I243-G247 PolarHBondContact O-N 3.08Å
244	I	79.1	Confident	75	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-43.6	-178.4	-59.6	174	0	0	0	110.2	W221 V240 D241 G246 G247 L248 L262	W221-I244 HydrophobicContact CH2-CG2 4.2Å; W221-I244 WeakPolarHBondContact CH2-O 3.35Å; V240-I244 HydrophobicContact CG1-CD1 3.67Å; V240-I244 HydrophobicContact CG1-CG1 4.32Å; V240-I244 PolarHBondContact O-N 3.02Å; D241-I244 PolarHBondContact O-N 2.97Å; I244-G246 VanDerWaalsContact C-N 3.27Å; I244-G246 PolarHBondContact O-N 2.85Å; I244-G247 PolarHBondContact O-N 2.98Å; I244-G247 VanDerWaalsContact O-N 3.09Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.47Å; I244-L262 HydrophobicContact CB-CD1 4.12Å; I244-L262 HydrophobicContact CD1-CB 4.29Å; I244-L262 HydrophobicContact CD1-CD1 3.84Å; I244-L262 HydrophobicContact CG2-CB 3.84Å; I244-L262 HydrophobicContact CG2-CD1 4.33Å; I244-L262 HydrophobicContact CG2-CD2 4.44Å; I244-L262 HydrophobicContact CG2-CG 4.42Å
245	R	81.7	Confident	75.3	Confident	80 Å²	80	62 Å²	62	30%	0.302	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-37.7	170.5	-69	178.4	-177.4	-82.3	-3.5	112.4	D241 G247 L248 T249 E281	D241-R245 VanDerWaalsContact CG-NE 3.32Å; D241-R245 WeakPolarHBondContact O-CB 3.48Å; D241-R245 WeakPolarHBondContact O-CG 3.44Å; D241-R245 PolarHBondContact O-N 3.11Å; D241-R245 IonicContact OD1-CZ 2.97Å; D241-R245 IonicContact OD1-NE 2.84Å; D241-R245 PolarHBondContact OD1-NE 3.42Å; D241-R245 IonicContact OD1-NH2 3.31Å; D241-R245 WeakPolarHBondContact OD2-CD 3.49Å; D241-R245 IonicContact OD2-CZ 3.24Å; D241-R245 IonicContact OD2-NE 3.93Å; D241-R245 PolarHBondContact OD2-NE 2.8Å; R245-G247 VanDerWaalsContact C-N 3.33Å; R245-G247 PolarHBondContact O-N 3.33Å; R245-L248 WeakPolarHBondContact O-CB 3.22Å; R245-L248 PolarHBondContact O-N 3.31Å; R245-T249 PolarHBondContact O-N 3Å; R245-E281 IonicContact CZ-OE1 3.33Å; R245-E281 IonicContact CZ-OE2 2.77Å; R245-E281 VanDerWaalsContact NH1-CD 3.33Å; R245-E281 IonicContact NH1-OE1 3.62Å; R245-E281 PolarHBondContact NH1-OE1 3.44Å; R245-E281 IonicContact NH1-OE2 3.24Å; R245-E281 PolarHBondContact NH1-OE2 3.31Å; R245-E281 IonicContact NH2-OE1 2.68Å; R245-E281 IonicContact NH2-OE2 3.7Å; R245-E281 PolarHBondContact NH2-OE2 3.46Å
246	G	80.2	Confident	75.7	Confident	25 Å²	25	61.9 Å²	61.9	26%	0.258	33%	0.329	S	S	.	.	H	α-helix	trans	-56.3	-44.1	171.8	0	0	0	0	0	112.6	A242 I243 I244 T249 R250	A242-G246 WeakPolarHBondContact O-CA 3.25Å; A242-G246 PolarHBondContact O-N 3.27Å; I243-G246 CarbonylContact O-C 3.59Å; I243-G246 WeakPolarHBondContact O-CA 3.45Å; I243-G246 PolarHBondContact O-N 3.42Å; I243-G246 VanDerWaalsContact O-N 3.09Å; I244-G246 VanDerWaalsContact C-N 3.27Å; I244-G246 PolarHBondContact O-N 2.85Å; G246-T249 PolarHBondContact O-N 3.19Å; G246-T249 PolarHBondContact O-OG1 2.85Å; G246-R250 WeakPolarHBondContact O-CG 3.47Å; G246-R250 PolarHBondContact O-N 3.33Å
247	G	75	Confident	76.3	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-78.5	-25.6	176.9	0	0	0	0	0	114.9	I243 I244 R245 T249 R250 F251	I243-G247 PolarHBondContact O-N 3.08Å; I244-G247 PolarHBondContact O-N 2.98Å; I244-G247 VanDerWaalsContact O-N 3.09Å; R245-G247 VanDerWaalsContact C-N 3.33Å; R245-G247 PolarHBondContact O-N 3.33Å; G247-T249 PolarHBondContact O-N 3.29Å; G247-R250 PolarHBondContact O-N 2.84Å; G247-F251 PolarHBondContact O-N 2.89Å
248	L	75.1	Confident	77	Confident	20 Å²	20	55 Å²	55	11%	0.105	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-33.4	167.4	-70.9	171.6	0	0	0	111.5	I244 R245 L255 L258 W259	I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.47Å; R245-L248 WeakPolarHBondContact O-CB 3.22Å; R245-L248 PolarHBondContact O-N 3.31Å; L248-L255 HydrophobicContact CB-CD2 4.24Å; L248-L255 HydrophobicContact CD2-CB 4.38Å; L248-L255 HydrophobicContact CD2-CD2 3.66Å; L248-L255 VanDerWaalsContact O-CD2 3.28Å; L248-L255 WeakPolarHBondContact O-CD2 3.35Å; L248-L258 HydrophobicContact CD2-CB 3.58Å; L248-L258 HydrophobicContact CD2-CD1 4.16Å; L248-L258 HydrophobicContact CG-CB 4.35Å; L248-W259 HydrophobicContact CD1-CD2 3.88Å; L248-W259 HydrophobicContact CD1-CE3 4.09Å; L248-W259 HydrophobicContact CD1-CH2 3.8Å; L248-W259 HydrophobicContact CD1-CZ2 3.58Å; L248-W259 HydrophobicContact CD1-CZ3 4.06Å; L248-W259 HydrophobicContact CD2-CD2 4.17Å; L248-W259 HydrophobicContact CD2-CG 4.12Å
249	T	76.6	Confident	77.9	Confident	112 Å²	112	53.9 Å²	53.9	69%	0.687	28%	0.283	S	S	*	.	H	α-helix	trans	-80	-30.1	175.7	65.7	0	0	0	0	114.1	R245 G246 G247	R245-T249 PolarHBondContact O-N 3Å; G246-T249 PolarHBondContact O-N 3.19Å; G246-T249 PolarHBondContact O-OG1 2.85Å; G247-T249 PolarHBondContact O-N 3.29Å
250	R	76	Confident	78.4	Confident	150 Å²	150	48.2 Å²	48.2	57%	0.566	25%	0.254	S	S	*	.	H	α-helix	trans	-82.6	-37.6	-177.9	-70.4	-180	-176.9	176.6	4.1	112.7	N205 G246 G247	N205-R250 PolarHBondContact OD1-NH1 2.94Å; N205-R250 PolarHBondContact OD1-NH2 3.12Å; G246-R250 WeakPolarHBondContact O-CG 3.47Å; G246-R250 PolarHBondContact O-N 3.33Å; G247-R250 PolarHBondContact O-N 2.84Å
251	F	72.4	Confident	78.7	Confident	51 Å²	51	48.3 Å²	48.3	22%	0.224	26%	0.255	C	S	.	.			trans	-112.5	89	-177.6	-55.3	-67.8	0	0	0	108.5	Y218 W221 G247 D253 L255 L258	Y218-F251 HydrophobicContact CD2-CD1 4.26Å; Y218-F251 HydrophobicContact CD2-CD2 4.36Å; Y218-F251 HydrophobicContact CD2-CG 4.14Å; W221-F251 HydrophobicContact CB-CE2 4.16Å; W221-F251 HydrophobicContact CD2-CD2 4.23Å; W221-F251 AromaticContact CD2-CE2 3.94Å; W221-F251 HydrophobicContact CD2-CE2 3.94Å; W221-F251 AromaticContact CE3-CD2 3.87Å; W221-F251 HydrophobicContact CE3-CD2 3.87Å; W221-F251 HydrophobicContact CE3-CE2 4Å; W221-F251 AromaticContact CG-CE2 3.96Å; W221-F251 HydrophobicContact CG-CE2 3.96Å; W221-F251 HydrophobicContact CZ3-CD2 4.32Å; G247-F251 PolarHBondContact O-N 2.89Å; F251-D253 PolarHBondContact O-N 3.5Å; F251-L255 WeakPolarHBondContact O-CD2 3.35Å; F251-L258 HydrophobicContact CB-CD1 4.45Å
252	T	72.5	Confident	79	Confident	95 Å²	95	46 Å²	46	58%	0.583	24%	0.242	S	C	*	.			trans	-64.8	-17.4	172.4	53.2	0	0	0	0	112.4
253	D	65.5	Low	79.4	Confident	121 Å²	121	43.1 Å²	43.1	65%	0.647	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	126.2	-176.4	-55.8	-13.6	0	0	0	109.2	F251	F251-D253 PolarHBondContact O-N 3.5Å
254	Q	72.8	Confident	79.8	Confident	78 Å²	78	44.3 Å²	44.3	36%	0.364	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	38.9	-176.5	-48.1	-178.6	21	0	0	115.2	Y218 G256 K257	Y218-Q254 WeakPolarHBondContact OH-CB 3.5Å; Y218-Q254 PolarHBondContact OH-OE1 3.41Å; Q254-G256 PolarHBondContact O-N 3.13Å; Q254-G256 VanDerWaalsContact O-N 3.12Å; Q254-K257 PolarHBondContact O-N 3.01Å; Q254-K257 VanDerWaalsContact OE1-NZ 3.07Å
255	L	81	Confident	80.1	Confident	30 Å²	30	46.1 Å²	46.1	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-54.2	-30.8	173.7	-65.7	173.3	0	0	0	112.5	L248 F251 K257 L258 W259 D291	L248-L255 HydrophobicContact CB-CD2 4.24Å; L248-L255 HydrophobicContact CD2-CB 4.38Å; L248-L255 HydrophobicContact CD2-CD2 3.66Å; L248-L255 VanDerWaalsContact O-CD2 3.28Å; L248-L255 WeakPolarHBondContact O-CD2 3.35Å; F251-L255 WeakPolarHBondContact O-CD2 3.35Å; L255-K257 PolarHBondContact O-N 2.82Å; L255-L258 PolarHBondContact O-N 3.5Å; L255-L258 VanDerWaalsContact O-N 3.1Å; L255-W259 PolarHBondContact O-N 2.98Å; L255-D291 PolarHBondContact N-OD1 3.17Å
256	G	81.8	Confident	80.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.9	-43	-176.3	0	0	0	0	0	113.7	Q254 L258 C260 D291	Q254-G256 PolarHBondContact O-N 3.13Å; Q254-G256 VanDerWaalsContact O-N 3.12Å; G256-L258 VanDerWaalsContact C-N 3.28Å; G256-L258 PolarHBondContact O-N 2.84Å; G256-C260 PolarHBondContact O-N 2.86Å; G256-C260 PolarHBondContact O-SG 3.27Å; G256-D291 PolarHBondContact N-OD1 3.14Å
257	K	84.1	Confident	80.7	Confident	77 Å²	77	44.4 Å²	44.4	34%	0.335	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-35.4	177.7	-73.5	175.8	-179.2	173	0	112.7	Q254 L255 C260 S261	Q254-K257 PolarHBondContact O-N 3.01Å; Q254-K257 VanDerWaalsContact OE1-NZ 3.07Å; L255-K257 PolarHBondContact O-N 2.82Å; K257-C260 PolarHBondContact O-N 2.96Å; K257-S261 PolarHBondContact O-N 3.04Å; K257-S261 PolarHBondContact O-OG 2.75Å
258	L	83.5	Confident	81.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-78.8	-36.9	-173.8	-51.8	175.5	0	0	0	111.2	W221 L248 F251 L255 G256 S261 L262	W221-L258 HydrophobicContact CE3-CD1 4.29Å; W221-L258 HydrophobicContact CE3-CD2 3.74Å; W221-L258 HydrophobicContact CH2-CB 4.46Å; W221-L258 HydrophobicContact CH2-CD1 4.14Å; W221-L258 HydrophobicContact CH2-CD2 4.08Å; W221-L258 HydrophobicContact CH2-CG 4.37Å; W221-L258 HydrophobicContact CZ3-CB 4.18Å; W221-L258 HydrophobicContact CZ3-CD1 3.39Å; W221-L258 HydrophobicContact CZ3-CD2 3.14Å; W221-L258 HydrophobicContact CZ3-CG 3.63Å; L248-L258 HydrophobicContact CD2-CB 3.58Å; L248-L258 HydrophobicContact CD2-CD1 4.16Å; L248-L258 HydrophobicContact CG-CB 4.35Å; F251-L258 HydrophobicContact CB-CD1 4.45Å; L255-L258 PolarHBondContact O-N 3.5Å; L255-L258 VanDerWaalsContact O-N 3.1Å; G256-L258 VanDerWaalsContact C-N 3.28Å; G256-L258 PolarHBondContact O-N 2.84Å; L258-S261 WeakPolarHBondContact CA-OG 3.27Å; L258-S261 PolarHBondContact O-N 3.16Å; L258-S261 PolarHBondContact O-OG 2.98Å; L258-L262 PolarHBondContact O-N 3.13Å
259	W	88.7	Confident	81.6	Confident	11 Å²	11	51.1 Å²	51.1	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-43.1	168.2	-77.4	118.2	0	0	0	111.6	L248 L255 S261 L262 A263 V278 E281 A282 T285 V295	L248-W259 HydrophobicContact CD1-CD2 3.88Å; L248-W259 HydrophobicContact CD1-CE3 4.09Å; L248-W259 HydrophobicContact CD1-CH2 3.8Å; L248-W259 HydrophobicContact CD1-CZ2 3.58Å; L248-W259 HydrophobicContact CD1-CZ3 4.06Å; L248-W259 HydrophobicContact CD2-CD2 4.17Å; L248-W259 HydrophobicContact CD2-CG 4.12Å; L255-W259 PolarHBondContact O-N 2.98Å; W259-S261 VanDerWaalsContact C-N 3.34Å; W259-S261 PolarHBondContact O-N 3.05Å; W259-L262 HydrophobicContact CE3-CD2 4.16Å; W259-L262 HydrophobicContact CZ3-CD2 3.99Å; W259-L262 PolarHBondContact O-N 3.29Å; W259-A263 WeakPolarHBondContact O-CB 3.19Å; W259-A263 PolarHBondContact O-N 3.07Å; W259-V278 HydrophobicContact CE3-CG1 3.7Å; W259-V278 HydrophobicContact CZ3-CG1 3.98Å; W259-E281 HydrophobicContact CH2-CB 4.2Å; W259-E281 HydrophobicContact CH2-CG 3.71Å; W259-E281 HydrophobicContact CZ3-CB 4.24Å; W259-E281 HydrophobicContact CZ3-CG 4.21Å; W259-A282 HydrophobicContact CB-CB 3.69Å; W259-A282 HydrophobicContact CD2-CB 3.41Å; W259-A282 VanDerWaalsContact CD2-CB 3.41Å; W259-A282 HydrophobicContact CE3-CB 3.72Å; W259-A282 HydrophobicContact CG-CB 3.39Å; W259-A282 HydrophobicContact CZ3-CB 4.47Å; W259-T285 HydrophobicContact CZ2-CG2 4.43Å; W259-T285 VanDerWaalsContact CZ2-OG1 3.29Å; W259-T285 WeakPolarHBondContact CZ2-OG1 3.5Å; W259-V295 HydrophobicContact CB-CG2 3.95Å
260	C	87.3	Confident	81.9	Confident	15 Å²	15	47.9 Å²	47.9	10%	0.101	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-42.6	174.1	-66.2	0	0	0	0	111.9	G256 K257 L262 A263 D264 S298	G256-C260 PolarHBondContact O-N 2.86Å; G256-C260 PolarHBondContact O-SG 3.27Å; K257-C260 PolarHBondContact O-N 2.96Å; C260-L262 PolarHBondContact O-N 3.48Å; C260-A263 PolarHBondContact O-N 3.15Å; C260-D264 WeakPolarHBondContact O-CB 3.42Å; C260-D264 PolarHBondContact O-N 3.18Å; C260-S298 PolarHBondContact SG-OG 2.83Å
261	S	83.5	Confident	82.4	Confident	5 Å²	5	45 Å²	45	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-68.9	-33.9	179.2	66.8	0	0	0	0	113.1	S229 K257 L258 W259 Y265	S229-S261 VanDerWaalsContact CB-O 3.31Å; S229-S261 WeakPolarHBondContact CB-O 3.41Å; K257-S261 PolarHBondContact O-N 3.04Å; K257-S261 PolarHBondContact O-OG 2.75Å; L258-S261 WeakPolarHBondContact CA-OG 3.27Å; L258-S261 PolarHBondContact O-N 3.16Å; L258-S261 PolarHBondContact O-OG 2.98Å; W259-S261 VanDerWaalsContact C-N 3.34Å; W259-S261 PolarHBondContact O-N 3.05Å; S261-Y265 PolarHBondContact O-N 2.98Å; S261-Y265 VanDerWaalsContact O-N 3.08Å
262	L	85.6	Confident	83	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-43.1	171.3	-173.9	56.8	0	0	0	111.6	I244 L258 W259 C260 Y265 Y266 V278	I244-L262 HydrophobicContact CB-CD1 4.12Å; I244-L262 HydrophobicContact CD1-CB 4.29Å; I244-L262 HydrophobicContact CD1-CD1 3.84Å; I244-L262 HydrophobicContact CG2-CB 3.84Å; I244-L262 HydrophobicContact CG2-CD1 4.33Å; I244-L262 HydrophobicContact CG2-CD2 4.44Å; I244-L262 HydrophobicContact CG2-CG 4.42Å; L258-L262 PolarHBondContact O-N 3.13Å; W259-L262 HydrophobicContact CE3-CD2 4.16Å; W259-L262 HydrophobicContact CZ3-CD2 3.99Å; W259-L262 PolarHBondContact O-N 3.29Å; C260-L262 PolarHBondContact O-N 3.48Å; L262-Y265 WeakPolarHBondContact O-CB 3.35Å; L262-Y265 PolarHBondContact O-N 3.25Å; L262-Y266 HydrophobicContact CD1-CD2 4.3Å; L262-Y266 HydrophobicContact CD1-CE2 3.72Å; L262-Y266 HydrophobicContact CG-CD2 4.33Å; L262-Y266 HydrophobicContact CG-CE2 4Å; L262-Y266 VanDerWaalsContact O-CD2 3.25Å; L262-Y266 WeakPolarHBondContact O-CD2 3.48Å; L262-Y266 PolarHBondContact O-N 2.71Å; L262-V278 HydrophobicContact CB-CG1 3.99Å; L262-V278 HydrophobicContact CD2-CG1 3.82Å; L262-V278 HydrophobicContact CD2-CG2 4.1Å; L262-V278 HydrophobicContact CG-CG1 3.77Å; L262-V278 HydrophobicContact CG-CG2 4.11Å
263	A	87.2	Confident	83.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-47	177.4	0	0	0	0	0	110.9	W259 C260 Y265 Y266 I267 V278 Y279	W259-A263 WeakPolarHBondContact O-CB 3.19Å; W259-A263 PolarHBondContact O-N 3.07Å; C260-A263 PolarHBondContact O-N 3.15Å; A263-Y265 PolarHBondContact O-N 3.38Å; A263-Y266 PolarHBondContact O-N 3.27Å; A263-I267 VanDerWaalsContact O-CG1 3.26Å; A263-I267 WeakPolarHBondContact O-CG1 3.46Å; A263-I267 PolarHBondContact O-N 3.5Å; A263-V278 HydrophobicContact CB-CG1 4.05Å; A263-Y279 HydrophobicContact CB-CD1 3.92Å; A263-Y279 HydrophobicContact CB-CD2 4.02Å; A263-Y279 HydrophobicContact CB-CE1 3.4Å; A263-Y279 VanDerWaalsContact CB-CE1 3.4Å; A263-Y279 HydrophobicContact CB-CE2 3.56Å; A263-Y279 HydrophobicContact CB-CG 4.19Å; A263-Y279 WeakPolarHBondContact CB-OH 3.4Å
264	D	87.2	Confident	84.7	Confident	60 Å²	60	45.1 Å²	45.1	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-54.5	-38.9	175.4	-75.2	-14.3	0	0	0	112.1	C260 I267 R268	C260-D264 WeakPolarHBondContact O-CB 3.42Å; C260-D264 PolarHBondContact O-N 3.18Å; D264-I267 PolarHBondContact O-N 2.83Å; D264-R268 WeakPolarHBondContact O-CB 3.43Å; D264-R268 WeakPolarHBondContact O-CG 3.1Å; D264-R268 PolarHBondContact O-N 3.3Å
265	Y	85.1	Confident	85.5	Confident	38 Å²	38	41.4 Å²	41.4	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-45.8	174.4	174.6	-100.3	0	0	0	112.2	I228 P232 V240 S261 L262 A263 S269	I228-Y265 HydrophobicContact CG2-CD2 3.65Å; I228-Y265 HydrophobicContact CG2-CE2 3.81Å; I228-Y265 HydrophobicContact CG2-CG 4.49Å; I228-Y265 WeakPolarHBondContact O-CD2 3.19Å; P232-Y265 HydrophobicContact CB-CD2 3.85Å; P232-Y265 HydrophobicContact CB-CE2 3.56Å; P232-Y265 HydrophobicContact CG-CD2 3.87Å; P232-Y265 HydrophobicContact CG-CE2 4.13Å; P232-Y265 WeakPolarHBondContact CG-O 3.45Å; V240-Y265 HydrophobicContact CB-CD1 4.41Å; V240-Y265 HydrophobicContact CB-CE1 3.89Å; V240-Y265 HydrophobicContact CB-CE2 4.03Å; V240-Y265 HydrophobicContact CG1-CD1 3.72Å; V240-Y265 HydrophobicContact CG1-CD2 3.81Å; V240-Y265 HydrophobicContact CG1-CE1 3.72Å; V240-Y265 HydrophobicContact CG1-CE2 3.79Å; V240-Y265 HydrophobicContact CG1-CG 3.76Å; V240-Y265 HydrophobicContact CG2-CD2 4.47Å; V240-Y265 HydrophobicContact CG2-CE1 4.35Å; V240-Y265 HydrophobicContact CG2-CE2 3.69Å; S261-Y265 PolarHBondContact O-N 2.98Å; S261-Y265 VanDerWaalsContact O-N 3.08Å; L262-Y265 WeakPolarHBondContact O-CB 3.35Å; L262-Y265 PolarHBondContact O-N 3.25Å; A263-Y265 PolarHBondContact O-N 3.38Å; Y265-S269 WeakPolarHBondContact O-CB 3.27Å; Y265-S269 PolarHBondContact O-N 3.23Å; Y265-S269 PolarHBondContact O-OG 2.9Å
266	Y	86.9	Confident	85.9	Confident	32 Å²	32	40.5 Å²	40.5	13%	0.125	20%	0.196	C	C	.	.	H	α-helix	trans	-71.7	-36.7	178.1	-74.3	-64.4	0	0	0	112.9	D241 L262 A263 R268 S269 G270 H271 K274 V278	D241-Y266 PolarHBondContact OD1-OH 3.4Å; L262-Y266 HydrophobicContact CD1-CD2 4.3Å; L262-Y266 HydrophobicContact CD1-CE2 3.72Å; L262-Y266 HydrophobicContact CG-CD2 4.33Å; L262-Y266 HydrophobicContact CG-CE2 4Å; L262-Y266 VanDerWaalsContact O-CD2 3.25Å; L262-Y266 WeakPolarHBondContact O-CD2 3.48Å; L262-Y266 PolarHBondContact O-N 2.71Å; A263-Y266 PolarHBondContact O-N 3.27Å; Y266-R268 VanDerWaalsContact C-N 3.34Å; Y266-R268 PolarHBondContact O-N 2.87Å; Y266-S269 PolarHBondContact O-N 3.33Å; Y266-G270 PolarHBondContact O-N 3.28Å; Y266-H271 HydrophobicContact CD1-CB 4.36Å; Y266-H271 PolarHBondContact O-N 2.94Å; Y266-K274 HydrophobicContact CD1-CB 3.73Å; Y266-K274 HydrophobicContact CD1-CD 3.89Å; Y266-K274 HydrophobicContact CD1-CG 4.48Å; Y266-K274 HydrophobicContact CD2-CB 4.48Å; Y266-K274 HydrophobicContact CE1-CB 4.14Å; Y266-K274 HydrophobicContact CE1-CD 3.74Å; Y266-K274 HydrophobicContact CG-CB 3.92Å; Y266-V278 HydrophobicContact CD2-CG2 3.67Å; Y266-V278 HydrophobicContact CE2-CG2 3.61Å
267	I	87.1	Confident	86.3	Confident	36 Å²	36	45.5 Å²	45.5	19%	0.185	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-49.9	174.5	-66.2	168.7	0	0	0	109.5	A263 D264 S269 G270 F272 A275 Y279 F302	A263-I267 VanDerWaalsContact O-CG1 3.26Å; A263-I267 WeakPolarHBondContact O-CG1 3.46Å; A263-I267 PolarHBondContact O-N 3.5Å; D264-I267 PolarHBondContact O-N 2.83Å; I267-S269 VanDerWaalsContact C-N 3.34Å; I267-S269 PolarHBondContact O-N 3.45Å; I267-G270 PolarHBondContact O-N 3.47Å; I267-G270 VanDerWaalsContact O-N 3.13Å; I267-F272 HydrophobicContact CG2-CE1 4.22Å; I267-A275 HydrophobicContact CD1-CB 4.42Å; I267-A275 HydrophobicContact CG1-CB 3.52Å; I267-Y279 HydrophobicContact CD1-CE2 4.11Å; I267-F302 HydrophobicContact CB-CE2 4.33Å; I267-F302 HydrophobicContact CD1-CB 4.4Å; I267-F302 HydrophobicContact CD1-CD2 3.36Å; I267-F302 HydrophobicContact CD1-CE2 3.8Å; I267-F302 HydrophobicContact CD1-CG 3.94Å; I267-F302 HydrophobicContact CG1-CD2 3.68Å; I267-F302 HydrophobicContact CG1-CE2 3.52Å; I267-F302 HydrophobicContact CG1-CG 4.49Å; I267-F302 HydrophobicContact CG1-CZ 4.22Å; I267-F302 HydrophobicContact CG2-CD2 4.24Å; I267-F302 HydrophobicContact CG2-CE2 3.98Å
268	R	85	Confident	86.6	Confident	132 Å²	132	42.1 Å²	42.1	50%	0.498	21%	0.209	S	C	.	.	H	α-helix	trans	-71.8	-27.3	-180	-68.1	-164.4	-153.3	-145.8	-8.2	113.6	S229 Q230 P232 D264 Y266 G270	S229-R268 WeakPolarHBondContact O-CD 3.11Å; S229-R268 PolarHBondContact O-NE 3.26Å; Q230-R268 VanDerWaalsContact CA-NH1 3.34Å; Q230-R268 PolarHBondContact O-NH1 3.2Å; Q230-R268 VanDerWaalsContact O-NH1 3.17Å; P232-R268 HydrophobicContact CG-CB 3.49Å; P232-R268 VanDerWaalsContact CG-CB 3.49Å; D264-R268 WeakPolarHBondContact O-CB 3.43Å; D264-R268 WeakPolarHBondContact O-CG 3.1Å; D264-R268 PolarHBondContact O-N 3.3Å; Y266-R268 VanDerWaalsContact C-N 3.34Å; Y266-R268 PolarHBondContact O-N 2.87Å; R268-G270 PolarHBondContact O-N 3.29Å
269	S	83.4	Confident	86.9	Confident	31 Å²	31	42.2 Å²	42.2	22%	0.217	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	0.8	171.9	-56.4	0	0	0	0	113.1	P232 Y265 Y266 I267 H271	P232-S269 WeakPolarHBondContact CB-OG 3.23Å; Y265-S269 WeakPolarHBondContact O-CB 3.27Å; Y265-S269 PolarHBondContact O-N 3.23Å; Y265-S269 PolarHBondContact O-OG 2.9Å; Y266-S269 PolarHBondContact O-N 3.33Å; I267-S269 VanDerWaalsContact C-N 3.34Å; I267-S269 PolarHBondContact O-N 3.45Å; S269-H271 PolarHBondContact O-N 2.82Å; S269-H271 PolarHBondContact O-ND1 3.18Å
270	G	83.1	Confident	86.9	Confident	44 Å²	44	43.3 Å²	43.3	45%	0.454	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	6	-176.2	0	0	0	0	0	114.6	Y266 I267 R268 F272	Y266-G270 PolarHBondContact O-N 3.28Å; I267-G270 PolarHBondContact O-N 3.47Å; I267-G270 VanDerWaalsContact O-N 3.13Å; R268-G270 PolarHBondContact O-N 3.29Å; G270-F272 PolarHBondContact O-N 3.3Å
271	H	86.4	Confident	87	Confident	88 Å²	88	45.3 Å²	45.3	41%	0.407	22%	0.223	S	C	.	.			trans	-94	67.8	-179.4	-68.5	77.8	0	0	0	110.2	Y266 S269 E273 K274 A275	Y266-H271 HydrophobicContact CD1-CB 4.36Å; Y266-H271 PolarHBondContact O-N 2.94Å; S269-H271 PolarHBondContact O-N 2.82Å; S269-H271 PolarHBondContact O-ND1 3.18Å; H271-E273 VanDerWaalsContact C-N 3.33Å; H271-E273 PolarHBondContact O-N 3.15Å; H271-K274 HydrophobicContact CB-CB 4.09Å; H271-K274 HydrophobicContact CB-CD 4Å; H271-K274 HydrophobicContact CB-CG 4.17Å; H271-K274 PolarHBondContact O-N 2.67Å; H271-K274 VanDerWaalsContact O-N 3.1Å; H271-A275 PolarHBondContact O-N 2.79Å; H271-A275 VanDerWaalsContact O-N 3.08Å
272	F	86.3	Confident	87.2	Confident	80 Å²	80	45.1 Å²	45.1	35%	0.351	22%	0.221	S	C	.	.	H	α-helix	trans	-58.8	-39.7	-175.8	-58.9	-59.6	0	0	0	113.4	I267 G270 K274 A275 R276 F302 M306	I267-F272 HydrophobicContact CG2-CE1 4.22Å; G270-F272 PolarHBondContact O-N 3.3Å; F272-K274 VanDerWaalsContact C-N 3.34Å; F272-K274 PolarHBondContact O-N 2.7Å; F272-A275 WeakPolarHBondContact O-CB 3.49Å; F272-A275 PolarHBondContact O-N 3.3Å; F272-R276 WeakPolarHBondContact O-CG 3.29Å; F272-R276 PolarHBondContact O-N 3.04Å; F272-F302 HydrophobicContact CB-CZ 4.06Å; F272-F302 AromaticContact CD1-CE2 3.78Å; F272-F302 HydrophobicContact CD1-CE2 3.78Å; F272-F302 AromaticContact CD1-CZ 3.8Å; F272-F302 HydrophobicContact CD1-CZ 3.8Å; F272-F302 HydrophobicContact CE1-CE2 4.4Å; F272-F302 HydrophobicContact CG-CZ 4.35Å; F272-M306 HydrophobicContact CD1-SD 4.42Å; F272-M306 HydrophobicContact CD2-SD 4.24Å; F272-M306 HydrophobicContact CE2-SD 4.33Å; F272-M306 HydrophobicContact CG-SD 4.28Å; F272-M306 HydrophobicContact CZ-SD 4.46Å
273	E	86.1	Confident	87.3	Confident	97 Å²	97	45.1 Å²	45.1	45%	0.453	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-38.3	176.6	-62.1	-59.7	126.3	0	0	111.9	H271 A275 R276 D277 R333	H271-E273 VanDerWaalsContact C-N 3.33Å; H271-E273 PolarHBondContact O-N 3.15Å; E273-A275 VanDerWaalsContact C-N 3.35Å; E273-A275 PolarHBondContact O-N 3.28Å; E273-R276 WeakPolarHBondContact O-CB 3.14Å; E273-R276 PolarHBondContact O-N 3.15Å; E273-R276 IonicContact OE1-CZ 3.78Å; E273-R276 IonicContact OE1-NH1 3.02Å; E273-R276 PolarHBondContact OE1-NH1 3.31Å; E273-R276 IonicContact OE2-NH1 3.53Å; E273-D277 VanDerWaalsContact O-CG 3.3Å; E273-D277 PolarHBondContact O-N 3.09Å; E273-R333 IonicContact OE1-NH1 3.47Å; E273-R333 IonicContact OE2-NH1 2.98Å; E273-R333 PolarHBondContact OE2-NH1 3.49Å
274	K	87.5	Confident	87.2	Confident	94 Å²	94	52.4 Å²	52.4	41%	0.409	25%	0.249	S	C	.	.	H	α-helix	trans	-67.7	-35.7	175	-66.2	-176.1	-177.8	168.2	0	111.9	Y266 H271 F272 R276 D277 V278	Y266-K274 HydrophobicContact CD1-CB 3.73Å; Y266-K274 HydrophobicContact CD1-CD 3.89Å; Y266-K274 HydrophobicContact CD1-CG 4.48Å; Y266-K274 HydrophobicContact CD2-CB 4.48Å; Y266-K274 HydrophobicContact CE1-CB 4.14Å; Y266-K274 HydrophobicContact CE1-CD 3.74Å; Y266-K274 HydrophobicContact CG-CB 3.92Å; H271-K274 HydrophobicContact CB-CB 4.09Å; H271-K274 HydrophobicContact CB-CD 4Å; H271-K274 HydrophobicContact CB-CG 4.17Å; H271-K274 PolarHBondContact O-N 2.67Å; H271-K274 VanDerWaalsContact O-N 3.1Å; F272-K274 VanDerWaalsContact C-N 3.34Å; F272-K274 PolarHBondContact O-N 2.7Å; K274-R276 VanDerWaalsContact C-N 3.33Å; K274-D277 PolarHBondContact O-N 2.76Å; K274-V278 VanDerWaalsContact O-CG2 3.3Å; K274-V278 WeakPolarHBondContact O-CG2 3.42Å; K274-V278 PolarHBondContact O-N 3.06Å
275	A	89.3	Confident	87.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-41.6	174.4	0	0	0	0	0	111.4	I267 H271 F272 E273 V278 Y279 F302	I267-A275 HydrophobicContact CD1-CB 4.42Å; I267-A275 HydrophobicContact CG1-CB 3.52Å; H271-A275 PolarHBondContact O-N 2.79Å; H271-A275 VanDerWaalsContact O-N 3.08Å; F272-A275 WeakPolarHBondContact O-CB 3.49Å; F272-A275 PolarHBondContact O-N 3.3Å; E273-A275 VanDerWaalsContact C-N 3.35Å; E273-A275 PolarHBondContact O-N 3.28Å; A275-V278 PolarHBondContact O-N 3.02Å; A275-Y279 VanDerWaalsContact O-CD2 3.25Å; A275-Y279 WeakPolarHBondContact O-CD2 3.41Å; A275-Y279 PolarHBondContact O-N 3.29Å; A275-F302 HydrophobicContact CB-CZ 4.47Å
276	R	88.9	Confident	87	Confident	11 Å²	11	50.9 Å²	50.9	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-47.3	172.1	-66.8	172.3	167.4	168.5	-7.6	111.4	F272 E273 K274 V278 Y279 E280 Y299 F302 E303	F272-R276 WeakPolarHBondContact O-CG 3.29Å; F272-R276 PolarHBondContact O-N 3.04Å; E273-R276 WeakPolarHBondContact O-CB 3.14Å; E273-R276 PolarHBondContact O-N 3.15Å; E273-R276 IonicContact OE1-CZ 3.78Å; E273-R276 IonicContact OE1-NH1 3.02Å; E273-R276 PolarHBondContact OE1-NH1 3.31Å; E273-R276 IonicContact OE2-NH1 3.53Å; K274-R276 VanDerWaalsContact C-N 3.33Å; R276-V278 PolarHBondContact O-N 3.39Å; R276-Y279 PolarHBondContact O-N 3.1Å; R276-Y279 VanDerWaalsContact O-N 3.17Å; R276-E280 WeakPolarHBondContact O-CB 3.48Å; R276-E280 WeakPolarHBondContact O-CG 3.23Å; R276-E280 PolarHBondContact O-N 2.82Å; R276-Y299 HydrophobicContact CG-CE2 4.24Å; R276-F302 HydrophobicContact CG-CE1 3.78Å; R276-E303 WeakPolarHBondContact CD-OE1 3.47Å; R276-E303 WeakPolarHBondContact CG-OE1 3.01Å; R276-E303 IonicContact CZ-OE1 2.64Å; R276-E303 IonicContact CZ-OE2 2.97Å; R276-E303 IonicContact NE-OE1 3.53Å; R276-E303 PolarHBondContact NE-OE1 3.36Å; R276-E303 IonicContact NE-OE2 3.48Å; R276-E303 IonicContact NH2-OE1 3.06Å; R276-E303 PolarHBondContact NH2-OE1 3.42Å; R276-E303 IonicContact NH2-OE2 3.55Å; R276-E303 PolarHBondContact NH2-OE2 3.33Å
277	D	90.2	Very high	86.7	Confident	105 Å²	105	54.6 Å²	54.6	56%	0.561	27%	0.265	S	S	*	.	H	α-helix	trans	-57.3	-40.4	176.9	-69.7	-25.6	0	0	0	111.6	E273 K274 E280 E281	E273-D277 VanDerWaalsContact O-CG 3.3Å; E273-D277 PolarHBondContact O-N 3.09Å; K274-D277 PolarHBondContact O-N 2.76Å; D277-E280 PolarHBondContact O-N 2.95Å; D277-E281 VanDerWaalsContact O-CB 3.27Å; D277-E281 WeakPolarHBondContact O-CB 3.17Å; D277-E281 PolarHBondContact O-N 3.13Å
278	V	90.5	Very high	86.6	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-44.1	176.4	168.5	0	0	0	0	112	W259 L262 A263 Y266 K274 A275 R276 E280 E281 A282	W259-V278 HydrophobicContact CE3-CG1 3.7Å; W259-V278 HydrophobicContact CZ3-CG1 3.98Å; L262-V278 HydrophobicContact CB-CG1 3.99Å; L262-V278 HydrophobicContact CD2-CG1 3.82Å; L262-V278 HydrophobicContact CD2-CG2 4.1Å; L262-V278 HydrophobicContact CG-CG1 3.77Å; L262-V278 HydrophobicContact CG-CG2 4.11Å; A263-V278 HydrophobicContact CB-CG1 4.05Å; Y266-V278 HydrophobicContact CD2-CG2 3.67Å; Y266-V278 HydrophobicContact CE2-CG2 3.61Å; K274-V278 VanDerWaalsContact O-CG2 3.3Å; K274-V278 WeakPolarHBondContact O-CG2 3.42Å; K274-V278 PolarHBondContact O-N 3.06Å; A275-V278 PolarHBondContact O-N 3.02Å; R276-V278 PolarHBondContact O-N 3.39Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E281 PolarHBondContact O-N 3.06Å; V278-A282 VanDerWaalsContact O-CB 3.29Å; V278-A282 WeakPolarHBondContact O-CB 3.44Å; V278-A282 PolarHBondContact O-N 3.45Å
279	Y	90.2	Very high	86.5	Confident	3 Å²	3	51.8 Å²	51.8	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-40.3	175.3	-75.6	-54.9	0	0	0	112.1	A263 I267 A275 R276 A282 I283 V295 S298 Y299 F302	A263-Y279 HydrophobicContact CB-CD1 3.92Å; A263-Y279 HydrophobicContact CB-CD2 4.02Å; A263-Y279 HydrophobicContact CB-CE1 3.4Å; A263-Y279 VanDerWaalsContact CB-CE1 3.4Å; A263-Y279 HydrophobicContact CB-CE2 3.56Å; A263-Y279 HydrophobicContact CB-CG 4.19Å; A263-Y279 WeakPolarHBondContact CB-OH 3.4Å; I267-Y279 HydrophobicContact CD1-CE2 4.11Å; A275-Y279 VanDerWaalsContact O-CD2 3.25Å; A275-Y279 WeakPolarHBondContact O-CD2 3.41Å; A275-Y279 PolarHBondContact O-N 3.29Å; R276-Y279 PolarHBondContact O-N 3.1Å; R276-Y279 VanDerWaalsContact O-N 3.17Å; Y279-A282 WeakPolarHBondContact O-CB 3.46Å; Y279-A282 PolarHBondContact O-N 3.46Å; Y279-I283 WeakPolarHBondContact O-CB 3.5Å; Y279-I283 VanDerWaalsContact O-CG1 3.32Å; Y279-I283 WeakPolarHBondContact O-CG1 3.27Å; Y279-I283 PolarHBondContact O-N 2.97Å; Y279-V295 HydrophobicContact CD1-CG1 4.08Å; Y279-S298 WeakPolarHBondContact CE1-OG 3.29Å; Y279-Y299 HydrophobicContact CD1-CG 4.5Å; Y279-Y299 AromaticContact CD2-CD2 3.41Å; Y279-Y299 HydrophobicContact CD2-CD2 3.41Å; Y279-Y299 VanDerWaalsContact CD2-CD2 3.41Å; Y279-Y299 HydrophobicContact CD2-CE2 4.15Å; Y279-Y299 HydrophobicContact CD2-CG 4.01Å; Y279-Y299 HydrophobicContact CE2-CD2 4.19Å; Y279-Y299 AromaticContact CG-CD2 3.71Å; Y279-Y299 HydrophobicContact CG-CD2 3.71Å; Y279-Y299 HydrophobicContact CG-CE2 4.5Å; Y279-Y299 AromaticContact CG-CG 3.84Å; Y279-Y299 HydrophobicContact CG-CG 3.84Å; Y279-F302 HydrophobicContact CD2-CD1 4.37Å; Y279-F302 HydrophobicContact CE2-CB 3.99Å; Y279-F302 HydrophobicContact CE2-CD1 4.09Å; Y279-F302 HydrophobicContact CE2-CG 4.04Å
280	E	87.4	Confident	86.6	Confident	34 Å²	34	59.7 Å²	59.7	16%	0.159	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-40.9	174.9	-79.8	-71.8	153	0	0	112.1	R276 D277 V278 I283 R284 Y299	R276-E280 WeakPolarHBondContact O-CB 3.48Å; R276-E280 WeakPolarHBondContact O-CG 3.23Å; R276-E280 PolarHBondContact O-N 2.82Å; D277-E280 PolarHBondContact O-N 2.95Å; V278-E280 VanDerWaalsContact C-N 3.34Å; E280-I283 PolarHBondContact O-N 3.37Å; E280-R284 VanDerWaalsContact O-CG 3.31Å; E280-R284 WeakPolarHBondContact O-CG 3.46Å; E280-R284 PolarHBondContact O-N 3.16Å; E280-R284 VanDerWaalsContact O-N 3.11Å; E280-R284 IonicContact OE2-CZ 3.4Å; E280-R284 IonicContact OE2-NE 2.98Å; E280-R284 IonicContact OE2-NH2 2.76Å; E280-R284 PolarHBondContact OE2-NH2 3.17Å; E280-Y299 PolarHBondContact OE1-OH 3Å
281	E	89	Confident	86.7	Confident	57 Å²	57	58.1 Å²	58.1	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-43.3	172.7	-170.1	-177.2	172.7	0	0	111	R245 W259 D277 V278 R284 T285	R245-E281 IonicContact CZ-OE1 3.33Å; R245-E281 IonicContact CZ-OE2 2.77Å; R245-E281 VanDerWaalsContact NH1-CD 3.33Å; R245-E281 IonicContact NH1-OE1 3.62Å; R245-E281 PolarHBondContact NH1-OE1 3.44Å; R245-E281 IonicContact NH1-OE2 3.24Å; R245-E281 PolarHBondContact NH1-OE2 3.31Å; R245-E281 IonicContact NH2-OE1 2.68Å; R245-E281 IonicContact NH2-OE2 3.7Å; R245-E281 PolarHBondContact NH2-OE2 3.46Å; W259-E281 HydrophobicContact CH2-CB 4.2Å; W259-E281 HydrophobicContact CH2-CG 3.71Å; W259-E281 HydrophobicContact CZ3-CB 4.24Å; W259-E281 HydrophobicContact CZ3-CG 4.21Å; D277-E281 VanDerWaalsContact O-CB 3.27Å; D277-E281 WeakPolarHBondContact O-CB 3.17Å; D277-E281 PolarHBondContact O-N 3.13Å; V278-E281 PolarHBondContact O-N 3.06Å; E281-R284 PolarHBondContact O-N 3.01Å; E281-T285 HydrophobicContact CG-CG2 4.29Å; E281-T285 WeakPolarHBondContact O-CB 3.43Å; E281-T285 VanDerWaalsContact O-CG2 3.31Å; E281-T285 WeakPolarHBondContact O-CG2 3.49Å; E281-T285 PolarHBondContact O-N 3.37Å; E281-T285 PolarHBondContact O-OG1 3.17Å
282	A	88.7	Confident	86.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-47.9	176.6	0	0	0	0	0	111.2	W259 V278 Y279 R284 T285 V286 V295	W259-A282 HydrophobicContact CB-CB 3.69Å; W259-A282 HydrophobicContact CD2-CB 3.41Å; W259-A282 VanDerWaalsContact CD2-CB 3.41Å; W259-A282 HydrophobicContact CE3-CB 3.72Å; W259-A282 HydrophobicContact CG-CB 3.39Å; W259-A282 HydrophobicContact CZ3-CB 4.47Å; V278-A282 VanDerWaalsContact O-CB 3.29Å; V278-A282 WeakPolarHBondContact O-CB 3.44Å; V278-A282 PolarHBondContact O-N 3.45Å; Y279-A282 WeakPolarHBondContact O-CB 3.46Å; Y279-A282 PolarHBondContact O-N 3.46Å; A282-R284 PolarHBondContact O-N 3.27Å; A282-T285 WeakPolarHBondContact CA-OG1 2.97Å; A282-T285 PolarHBondContact O-N 2.95Å; A282-T285 VanDerWaalsContact O-N 3.17Å; A282-T285 PolarHBondContact O-OG1 3.15Å; A282-V286 VanDerWaalsContact O-CB 3.31Å; A282-V286 WeakPolarHBondContact O-CB 3.09Å; A282-V286 WeakPolarHBondContact O-CG2 3.44Å; A282-V286 PolarHBondContact O-N 2.92Å; A282-V295 HydrophobicContact CB-CG1 3.52Å; A282-V295 HydrophobicContact CB-CG2 4.29Å
283	I	87	Confident	86.9	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-32.1	177.6	-74.6	169.2	0	0	0	111.8	Y279 E280 F292 V295 F296 Y299 L344 R351	Y279-I283 WeakPolarHBondContact O-CB 3.5Å; Y279-I283 VanDerWaalsContact O-CG1 3.32Å; Y279-I283 WeakPolarHBondContact O-CG1 3.27Å; Y279-I283 PolarHBondContact O-N 2.97Å; E280-I283 PolarHBondContact O-N 3.37Å; I283-F292 HydrophobicContact CG1-CD2 4.42Å; I283-F292 HydrophobicContact CG1-CE2 4.18Å; I283-F292 HydrophobicContact CG2-CD2 4.5Å; I283-F292 HydrophobicContact CG2-CE2 4Å; I283-V295 HydrophobicContact CG1-CG1 4.05Å; I283-F296 HydrophobicContact CD1-CD2 4.34Å; I283-Y299 HydrophobicContact CD1-CD1 3.69Å; I283-Y299 HydrophobicContact CD1-CE1 4.18Å; I283-L344 HydrophobicContact CD1-CD1 4.43Å; I283-L344 HydrophobicContact CG2-CB 4.34Å; I283-L344 HydrophobicContact CG2-CD1 3.82Å; I283-L344 HydrophobicContact CG2-CD2 3.57Å; I283-L344 HydrophobicContact CG2-CG 4.1Å; I283-R351 PolarHBondContact O-NH1 3.43Å; I283-R351 PolarHBondContact O-NH2 3.18Å
284	R	84.9	Confident	87	Confident	153 Å²	153	51.2 Å²	51.2	58%	0.577	24%	0.243	S	C	*	.	H	α-helix	trans	-79.4	-30.5	176.2	-69.2	175.3	-150.4	139.5	8.3	113.8	E280 E281 A282 R351	E280-R284 VanDerWaalsContact O-CG 3.31Å; E280-R284 WeakPolarHBondContact O-CG 3.46Å; E280-R284 PolarHBondContact O-N 3.16Å; E280-R284 VanDerWaalsContact O-N 3.11Å; E280-R284 IonicContact OE2-CZ 3.4Å; E280-R284 IonicContact OE2-NE 2.98Å; E280-R284 IonicContact OE2-NH2 2.76Å; E280-R284 PolarHBondContact OE2-NH2 3.17Å; E281-R284 PolarHBondContact O-N 3.01Å; A282-R284 PolarHBondContact O-N 3.27Å; R284-R351 PolarHBondContact O-NE 3.24Å; R284-R351 PolarHBondContact O-NH1 3.29Å
285	T	85.2	Confident	87.1	Confident	65 Å²	65	46.8 Å²	46.8	40%	0.399	22%	0.224	S	C	.	.	H	α-helix	trans	-92.7	-29.4	-174.3	53.2	0	0	0	0	113.5	W259 E281 A282 M287	W259-T285 HydrophobicContact CZ2-CG2 4.43Å; W259-T285 VanDerWaalsContact CZ2-OG1 3.29Å; W259-T285 WeakPolarHBondContact CZ2-OG1 3.5Å; E281-T285 HydrophobicContact CG-CG2 4.29Å; E281-T285 WeakPolarHBondContact O-CB 3.43Å; E281-T285 VanDerWaalsContact O-CG2 3.31Å; E281-T285 WeakPolarHBondContact O-CG2 3.49Å; E281-T285 PolarHBondContact O-N 3.37Å; E281-T285 PolarHBondContact O-OG1 3.17Å; A282-T285 WeakPolarHBondContact CA-OG1 2.97Å; A282-T285 PolarHBondContact O-N 2.95Å; A282-T285 VanDerWaalsContact O-N 3.17Å; A282-T285 PolarHBondContact O-OG1 3.15Å; T285-M287 PolarHBondContact O-N 3.5Å
286	V	83.4	Confident	87.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.			trans	-63.1	129	-175.6	167.1	0	0	0	0	111.9	A282 T288 D291 F292 R351	A282-V286 VanDerWaalsContact O-CB 3.31Å; A282-V286 WeakPolarHBondContact O-CB 3.09Å; A282-V286 WeakPolarHBondContact O-CG2 3.44Å; A282-V286 PolarHBondContact O-N 2.92Å; V286-T288 WeakPolarHBondContact CG1-O 3.47Å; V286-D291 HydrophobicContact CG1-CB 3.53Å; V286-D291 HydrophobicContact CG2-CB 4.21Å; V286-F292 HydrophobicContact CG1-CB 3.95Å; V286-R351 PolarHBondContact O-NE 2.89Å; V286-R351 PolarHBondContact O-NH2 2.88Å
287	M	80.8	Confident	87.2	Confident	111 Å²	111	49.8 Å²	49.8	55%	0.547	24%	0.24	S	C	.	.			trans	-96.1	-28.9	177.9	-61.4	-176.3	73.8	0	0	112.9	T285 V348 Q352	T285-M287 PolarHBondContact O-N 3.5Å; M287-V348 VanDerWaalsContact O-CG1 3.3Å; M287-V348 WeakPolarHBondContact O-CG1 3.45Å; M287-Q352 WeakPolarHBondContact O-CG 3.22Å; M287-Q352 PolarHBondContact O-NE2 3.36Å
288	T	84.2	Confident	87.1	Confident	55 Å²	55	45.9 Å²	45.9	34%	0.337	22%	0.221	S	C	.	.	S	Bend	trans	-93.3	143.9	-176.3	85.8	0	0	0	0	111.4	V286 R290 D291 F292	V286-T288 WeakPolarHBondContact CG1-O 3.47Å; T288-R290 VanDerWaalsContact C-N 3.27Å; T288-R290 PolarHBondContact O-N 3.49Å; T288-D291 VanDerWaalsContact OG1-CB 3.3Å; T288-D291 WeakPolarHBondContact OG1-CB 3.5Å; T288-D291 PolarHBondContact OG1-N 3.27Å; T288-D291 VanDerWaalsContact OG1-N 3.08Å; T288-D291 PolarHBondContact OG1-OD2 3.13Å; T288-F292 WeakPolarHBondContact O-CB 3.34Å; T288-F292 PolarHBondContact O-N 3.13Å; T288-F292 VanDerWaalsContact O-N 3.12Å
289	V	83.5	Confident	87	Confident	54 Å²	54	46.4 Å²	46.4	33%	0.327	22%	0.223	S	C	.	.	H	α-helix	trans	-62.9	-37.7	176.2	175.9	0	0	0	0	110.6	F292 T293 L345 V348 L349	V289-F292 WeakPolarHBondContact O-CB 3.44Å; V289-F292 PolarHBondContact O-N 2.82Å; V289-T293 PolarHBondContact O-N 3.4Å; V289-T293 PolarHBondContact O-OG1 3.18Å; V289-L345 HydrophobicContact CG1-CD1 3.72Å; V289-L345 HydrophobicContact CG2-CD1 4.24Å; V289-V348 HydrophobicContact CG2-CG1 4.4Å; V289-L349 HydrophobicContact CG2-CD2 3.67Å; V289-L349 HydrophobicContact CG2-CG 4.48Å
290	R	85.8	Confident	87	Confident	197 Å²	197	47.1 Å²	47.1	74%	0.743	23%	0.229	S	C	*	.	H	α-helix	trans	-64.8	-46.4	-178.4	-176.3	-178.3	-178.6	177	3	112.8	T288 F292 T293 Q294	T288-R290 VanDerWaalsContact C-N 3.27Å; T288-R290 PolarHBondContact O-N 3.49Å; R290-F292 VanDerWaalsContact C-N 3.25Å; R290-F292 PolarHBondContact O-N 3.31Å; R290-T293 PolarHBondContact O-N 3.28Å; R290-Q294 PolarHBondContact O-N 3.29Å; R290-Q294 VanDerWaalsContact O-N 3.12Å
291	D	85.8	Confident	87.1	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.059	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-36.3	176.2	-66.3	-47.4	0	0	0	110.1	L255 G256 V286 T288 Q294 V295	L255-D291 PolarHBondContact N-OD1 3.17Å; G256-D291 PolarHBondContact N-OD1 3.14Å; V286-D291 HydrophobicContact CG1-CB 3.53Å; V286-D291 HydrophobicContact CG2-CB 4.21Å; T288-D291 VanDerWaalsContact OG1-CB 3.3Å; T288-D291 WeakPolarHBondContact OG1-CB 3.5Å; T288-D291 PolarHBondContact OG1-N 3.27Å; T288-D291 VanDerWaalsContact OG1-N 3.08Å; T288-D291 PolarHBondContact OG1-OD2 3.13Å; D291-Q294 PolarHBondContact O-N 3.43Å; D291-V295 WeakPolarHBondContact O-CB 3.33Å; D291-V295 VanDerWaalsContact O-CG2 3.28Å; D291-V295 WeakPolarHBondContact O-CG2 3.47Å; D291-V295 PolarHBondContact O-N 3.28Å
292	F	86.8	Confident	87	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.022	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-46.1	177.3	170.2	-99.8	0	0	0	111	I283 V286 T288 V289 R290 Q294 V295 F296 L344 L345 V348	I283-F292 HydrophobicContact CG1-CD2 4.42Å; I283-F292 HydrophobicContact CG1-CE2 4.18Å; I283-F292 HydrophobicContact CG2-CD2 4.5Å; I283-F292 HydrophobicContact CG2-CE2 4Å; V286-F292 HydrophobicContact CG1-CB 3.95Å; T288-F292 WeakPolarHBondContact O-CB 3.34Å; T288-F292 PolarHBondContact O-N 3.13Å; T288-F292 VanDerWaalsContact O-N 3.12Å; V289-F292 WeakPolarHBondContact O-CB 3.44Å; V289-F292 PolarHBondContact O-N 2.82Å; R290-F292 VanDerWaalsContact C-N 3.25Å; R290-F292 PolarHBondContact O-N 3.31Å; F292-Q294 VanDerWaalsContact C-N 3.31Å; F292-Q294 PolarHBondContact O-N 2.92Å; F292-V295 PolarHBondContact O-N 3.28Å; F292-F296 HydrophobicContact CE1-CB 4.43Å; F292-F296 HydrophobicContact CE2-CB 4.4Å; F292-F296 HydrophobicContact CE2-CD2 4.19Å; F292-F296 HydrophobicContact CZ-CB 4.22Å; F292-F296 AromaticContact CZ-CD2 3.8Å; F292-F296 HydrophobicContact CZ-CD2 3.8Å; F292-F296 HydrophobicContact CZ-CG 4.2Å; F292-F296 WeakPolarHBondContact O-CB 3.48Å; F292-F296 PolarHBondContact O-N 3.44Å; F292-L344 HydrophobicContact CE2-CB 3.62Å; F292-L344 HydrophobicContact CE2-CD1 4.43Å; F292-L344 HydrophobicContact CZ-CB 3.5Å; F292-L345 HydrophobicContact CD1-CD1 4Å; F292-L345 HydrophobicContact CE1-CB 3.94Å; F292-L345 HydrophobicContact CE1-CD1 4.2Å; F292-V348 HydrophobicContact CB-CG1 4.49Å; F292-V348 HydrophobicContact CB-CG2 3.87Å; F292-V348 HydrophobicContact CD1-CG2 4.39Å; F292-V348 HydrophobicContact CD2-CG2 3.7Å; F292-V348 HydrophobicContact CE2-CG2 4.41Å; F292-V348 HydrophobicContact CG-CG2 3.7Å
293	T	88.7	Confident	86.9	Confident	48 Å²	48	49.7 Å²	49.7	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-44.3	177.3	-25.8	0	0	0	0	111	V289 R290 V295 F296 D297	V289-T293 PolarHBondContact O-N 3.4Å; V289-T293 PolarHBondContact O-OG1 3.18Å; R290-T293 PolarHBondContact O-N 3.28Å; T293-V295 PolarHBondContact O-N 3.15Å; T293-F296 PolarHBondContact O-N 3.12Å; T293-D297 WeakPolarHBondContact O-CB 3.49Å; T293-D297 PolarHBondContact O-N 3.36Å
294	Q	89.4	Confident	87	Confident	67 Å²	67	55.2 Å²	55.2	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-45.1	-179.5	-175.1	179.6	0.7	0	0	112.8	R290 D291 F292 S298	R290-Q294 PolarHBondContact O-N 3.29Å; R290-Q294 VanDerWaalsContact O-N 3.12Å; D291-Q294 PolarHBondContact O-N 3.43Å; F292-Q294 VanDerWaalsContact C-N 3.31Å; F292-Q294 PolarHBondContact O-N 2.92Å; Q294-S298 PolarHBondContact O-N 3.12Å; Q294-S298 PolarHBondContact O-OG 3.32Å
295	V	89.8	Confident	87.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.2	-38	178.1	171.7	0	0	0	0	111.1	W259 Y279 A282 I283 D291 F292 T293 S298 Y299	W259-V295 HydrophobicContact CB-CG2 3.95Å; Y279-V295 HydrophobicContact CD1-CG1 4.08Å; A282-V295 HydrophobicContact CB-CG1 3.52Å; A282-V295 HydrophobicContact CB-CG2 4.29Å; I283-V295 HydrophobicContact CG1-CG1 4.05Å; D291-V295 WeakPolarHBondContact O-CB 3.33Å; D291-V295 VanDerWaalsContact O-CG2 3.28Å; D291-V295 WeakPolarHBondContact O-CG2 3.47Å; D291-V295 PolarHBondContact O-N 3.28Å; F292-V295 PolarHBondContact O-N 3.28Å; T293-V295 PolarHBondContact O-N 3.15Å; V295-S298 PolarHBondContact O-OG 2.98Å; V295-Y299 VanDerWaalsContact O-CB 3.27Å; V295-Y299 WeakPolarHBondContact O-CB 3.38Å; V295-Y299 PolarHBondContact O-N 2.89Å
296	F	89.5	Confident	87.2	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-68.6	-44.1	179.5	-172.9	-85.6	0	0	0	111.5	I283 F292 T293 S298 Y299 A300 L337 R341 L344	I283-F296 HydrophobicContact CD1-CD2 4.34Å; F292-F296 HydrophobicContact CE1-CB 4.43Å; F292-F296 HydrophobicContact CE2-CB 4.4Å; F292-F296 HydrophobicContact CE2-CD2 4.19Å; F292-F296 HydrophobicContact CZ-CB 4.22Å; F292-F296 AromaticContact CZ-CD2 3.8Å; F292-F296 HydrophobicContact CZ-CD2 3.8Å; F292-F296 HydrophobicContact CZ-CG 4.2Å; F292-F296 WeakPolarHBondContact O-CB 3.48Å; F292-F296 PolarHBondContact O-N 3.44Å; T293-F296 PolarHBondContact O-N 3.12Å; F296-S298 VanDerWaalsContact C-N 3.33Å; F296-S298 PolarHBondContact O-N 2.63Å; F296-Y299 PolarHBondContact O-N 3.41Å; F296-A300 WeakPolarHBondContact O-CB 3.44Å; F296-A300 PolarHBondContact O-N 2.99Å; F296-L337 HydrophobicContact CD2-CD1 4.36Å; F296-L337 HydrophobicContact CE2-CD1 3.66Å; F296-L337 HydrophobicContact CE2-CG 3.9Å; F296-L337 HydrophobicContact CZ-CD1 4.31Å; F296-L337 HydrophobicContact CZ-CG 4.04Å; F296-R341 HydrophobicContact CD1-CG 4.32Å; F296-R341 HydrophobicContact CE1-CB 4.12Å; F296-R341 HydrophobicContact CE1-CG 3.82Å; F296-R341 HydrophobicContact CE2-CB 3.92Å; F296-R341 HydrophobicContact CE2-CG 4.09Å; F296-R341 HydrophobicContact CZ-CB 3.53Å; F296-R341 HydrophobicContact CZ-CG 3.7Å; F296-L344 HydrophobicContact CD2-CD1 4.41Å; F296-L344 HydrophobicContact CE2-CD1 4.19Å
297	D	90.8	Very high	87.3	Confident	69 Å²	69	49.8 Å²	49.8	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-38.1	179.1	-67.1	-17.2	0	0	0	111	T293 Q301	T293-D297 WeakPolarHBondContact O-CB 3.49Å; T293-D297 PolarHBondContact O-N 3.36Å; D297-Q301 WeakPolarHBondContact O-CB 3.37Å; D297-Q301 VanDerWaalsContact O-CG 3.23Å; D297-Q301 WeakPolarHBondContact O-CG 3.32Å; D297-Q301 PolarHBondContact O-N 3.16Å
298	S	87.7	Confident	87.7	Confident	22 Å²	22	46.5 Å²	46.5	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-70.4	-39.3	174.6	62.6	0	0	0	0	112.7	C260 Y279 Q294 V295 F296 Q301 F302	C260-S298 PolarHBondContact SG-OG 2.83Å; Y279-S298 WeakPolarHBondContact CE1-OG 3.29Å; Q294-S298 PolarHBondContact O-N 3.12Å; Q294-S298 PolarHBondContact O-OG 3.32Å; V295-S298 PolarHBondContact O-OG 2.98Å; F296-S298 VanDerWaalsContact C-N 3.33Å; F296-S298 PolarHBondContact O-N 2.63Å; S298-Q301 PolarHBondContact O-N 3.36Å; S298-F302 WeakPolarHBondContact O-CB 3.19Å; S298-F302 PolarHBondContact O-N 3Å
299	Y	89.2	Confident	87.8	Confident	17 Å²	17	45.7 Å²	45.7	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-41.6	175	-176.3	-150.8	0	0	0	112	R276 Y279 E280 I283 V295 F296 F302 E303 L337	R276-Y299 HydrophobicContact CG-CE2 4.24Å; Y279-Y299 HydrophobicContact CD1-CG 4.5Å; Y279-Y299 AromaticContact CD2-CD2 3.41Å; Y279-Y299 HydrophobicContact CD2-CD2 3.41Å; Y279-Y299 VanDerWaalsContact CD2-CD2 3.41Å; Y279-Y299 HydrophobicContact CD2-CE2 4.15Å; Y279-Y299 HydrophobicContact CD2-CG 4.01Å; Y279-Y299 HydrophobicContact CE2-CD2 4.19Å; Y279-Y299 AromaticContact CG-CD2 3.71Å; Y279-Y299 HydrophobicContact CG-CD2 3.71Å; Y279-Y299 HydrophobicContact CG-CE2 4.5Å; Y279-Y299 AromaticContact CG-CG 3.84Å; Y279-Y299 HydrophobicContact CG-CG 3.84Å; E280-Y299 PolarHBondContact OE1-OH 3Å; I283-Y299 HydrophobicContact CD1-CD1 3.69Å; I283-Y299 HydrophobicContact CD1-CE1 4.18Å; V295-Y299 VanDerWaalsContact O-CB 3.27Å; V295-Y299 WeakPolarHBondContact O-CB 3.38Å; V295-Y299 PolarHBondContact O-N 2.89Å; F296-Y299 PolarHBondContact O-N 3.41Å; Y299-F302 HydrophobicContact CD2-CD1 4.29Å; Y299-F302 PolarHBondContact O-N 3.36Å; Y299-E303 HydrophobicContact CD2-CG 4.11Å; Y299-E303 HydrophobicContact CE2-CG 3.8Å; Y299-E303 WeakPolarHBondContact CE2-OE1 3.25Å; Y299-E303 PolarHBondContact O-N 3.24Å; Y299-L337 HydrophobicContact CD1-CD1 3.6Å; Y299-L337 HydrophobicContact CD1-CD2 3.35Å; Y299-L337 HydrophobicContact CD1-CG 4.1Å; Y299-L337 HydrophobicContact CD2-CD2 4.46Å; Y299-L337 HydrophobicContact CE1-CD1 3.41Å; Y299-L337 VanDerWaalsContact CE1-CD1 3.41Å; Y299-L337 HydrophobicContact CE1-CD2 3.52Å; Y299-L337 HydrophobicContact CE1-CG 4.05Å; Y299-L337 HydrophobicContact CG-CD2 3.89Å
300	A	89.6	Confident	87.7	Confident	18 Å²	18	45.3 Å²	45.3	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-45.6	175.7	0	0	0	0	0	111.6	F296 F302 E303 E304 F334	F296-A300 WeakPolarHBondContact O-CB 3.44Å; F296-A300 PolarHBondContact O-N 2.99Å; A300-F302 VanDerWaalsContact C-N 3.31Å; A300-F302 PolarHBondContact O-N 2.92Å; A300-E303 PolarHBondContact O-N 3.35Å; A300-E304 WeakPolarHBondContact O-CB 3.45Å; A300-E304 PolarHBondContact O-N 2.94Å; A300-F334 HydrophobicContact CB-CE2 4.29Å; A300-F334 WeakPolarHBondContact O-CE2 3.46Å
301	Q	89.7	Confident	87.5	Confident	134 Å²	134	40 Å²	40	63%	0.626	22%	0.219	S	C	*	.	H	α-helix	trans	-61.6	-39.2	174.9	-74.4	172	13.1	0	0	112.2	D297 S298 S305	D297-Q301 WeakPolarHBondContact O-CB 3.37Å; D297-Q301 VanDerWaalsContact O-CG 3.23Å; D297-Q301 WeakPolarHBondContact O-CG 3.32Å; D297-Q301 PolarHBondContact O-N 3.16Å; S298-Q301 PolarHBondContact O-N 3.36Å; Q301-S305 VanDerWaalsContact O-CB 3.27Å; Q301-S305 WeakPolarHBondContact O-CB 3.34Å; Q301-S305 PolarHBondContact O-N 2.97Å; Q301-S305 PolarHBondContact O-OG 3.43Å
302	F	87.4	Confident	87.5	Confident	9 Å²	9	45.5 Å²	45.5	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-50.2	176.4	168.8	-106.2	0	0	0	111.7	I267 F272 A275 R276 Y279 S298 Y299 A300 E304 S305 M306	I267-F302 HydrophobicContact CB-CE2 4.33Å; I267-F302 HydrophobicContact CD1-CB 4.4Å; I267-F302 HydrophobicContact CD1-CD2 3.36Å; I267-F302 HydrophobicContact CD1-CE2 3.8Å; I267-F302 HydrophobicContact CD1-CG 3.94Å; I267-F302 HydrophobicContact CG1-CD2 3.68Å; I267-F302 HydrophobicContact CG1-CE2 3.52Å; I267-F302 HydrophobicContact CG1-CG 4.49Å; I267-F302 HydrophobicContact CG1-CZ 4.22Å; I267-F302 HydrophobicContact CG2-CD2 4.24Å; I267-F302 HydrophobicContact CG2-CE2 3.98Å; F272-F302 HydrophobicContact CB-CZ 4.06Å; F272-F302 AromaticContact CD1-CE2 3.78Å; F272-F302 HydrophobicContact CD1-CE2 3.78Å; F272-F302 AromaticContact CD1-CZ 3.8Å; F272-F302 HydrophobicContact CD1-CZ 3.8Å; F272-F302 HydrophobicContact CE1-CE2 4.4Å; F272-F302 HydrophobicContact CG-CZ 4.35Å; A275-F302 HydrophobicContact CB-CZ 4.47Å; R276-F302 HydrophobicContact CG-CE1 3.78Å; Y279-F302 HydrophobicContact CD2-CD1 4.37Å; Y279-F302 HydrophobicContact CE2-CB 3.99Å; Y279-F302 HydrophobicContact CE2-CD1 4.09Å; Y279-F302 HydrophobicContact CE2-CG 4.04Å; S298-F302 WeakPolarHBondContact O-CB 3.19Å; S298-F302 PolarHBondContact O-N 3Å; Y299-F302 HydrophobicContact CD2-CD1 4.29Å; Y299-F302 PolarHBondContact O-N 3.36Å; A300-F302 VanDerWaalsContact C-N 3.31Å; A300-F302 PolarHBondContact O-N 2.92Å; F302-E304 PolarHBondContact O-N 3.46Å; F302-S305 PolarHBondContact O-N 2.77Å; F302-S305 PolarHBondContact O-OG 3.24Å; F302-M306 WeakPolarHBondContact O-CB 3.37Å; F302-M306 PolarHBondContact O-N 3.44Å
303	E	86.5	Confident	87.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-42.7	177.9	-71.2	-60.3	157.8	0	0	112.1	R276 Y299 A300 S305 M306 I307 F334	R276-E303 WeakPolarHBondContact CD-OE1 3.47Å; R276-E303 WeakPolarHBondContact CG-OE1 3.01Å; R276-E303 IonicContact CZ-OE1 2.64Å; R276-E303 IonicContact CZ-OE2 2.97Å; R276-E303 IonicContact NE-OE1 3.53Å; R276-E303 PolarHBondContact NE-OE1 3.36Å; R276-E303 IonicContact NE-OE2 3.48Å; R276-E303 IonicContact NH2-OE1 3.06Å; R276-E303 PolarHBondContact NH2-OE1 3.42Å; R276-E303 IonicContact NH2-OE2 3.55Å; R276-E303 PolarHBondContact NH2-OE2 3.33Å; Y299-E303 HydrophobicContact CD2-CG 4.11Å; Y299-E303 HydrophobicContact CE2-CG 3.8Å; Y299-E303 WeakPolarHBondContact CE2-OE1 3.25Å; Y299-E303 PolarHBondContact O-N 3.24Å; A300-E303 PolarHBondContact O-N 3.35Å; E303-S305 PolarHBondContact O-N 2.9Å; E303-M306 PolarHBondContact O-N 2.96Å; E303-I307 WeakPolarHBondContact O-CB 3.47Å; E303-I307 WeakPolarHBondContact O-CD1 3.49Å; E303-I307 VanDerWaalsContact O-CG1 3.25Å; E303-I307 WeakPolarHBondContact O-CG1 3.35Å; E303-I307 PolarHBondContact O-N 3.41Å; E303-F334 HydrophobicContact CB-CB 4.48Å; E303-F334 HydrophobicContact CB-CD2 3.61Å; E303-F334 HydrophobicContact CB-CE2 4.25Å; E303-F334 HydrophobicContact CB-CG 4.42Å
304	E	88.5	Confident	86.9	Confident	118 Å²	118	45.9 Å²	45.9	55%	0.551	25%	0.248	S	C	*	.	H	α-helix	trans	-60.2	-46.4	175.6	-174.1	179.6	-179	0	0	111.4	A300 F302 M306 I307 A308 F334	A300-E304 WeakPolarHBondContact O-CB 3.45Å; A300-E304 PolarHBondContact O-N 2.94Å; F302-E304 PolarHBondContact O-N 3.46Å; E304-M306 VanDerWaalsContact C-N 3.29Å; E304-M306 PolarHBondContact O-N 2.91Å; E304-I307 PolarHBondContact O-N 2.72Å; E304-A308 WeakPolarHBondContact O-CB 3.23Å; E304-A308 PolarHBondContact O-N 3.02Å; E304-F334 HydrophobicContact CB-CE2 4.45Å; E304-F334 HydrophobicContact CB-CZ 4.35Å
305	S	87.7	Confident	86.5	Confident	67 Å²	67	47.5 Å²	47.5	47%	0.469	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-36.5	178.1	74.8	0	0	0	0	112.5	Q301 F302 E303 A309	Q301-S305 VanDerWaalsContact O-CB 3.27Å; Q301-S305 WeakPolarHBondContact O-CB 3.34Å; Q301-S305 PolarHBondContact O-N 2.97Å; Q301-S305 PolarHBondContact O-OG 3.43Å; F302-S305 PolarHBondContact O-N 2.77Å; F302-S305 PolarHBondContact O-OG 3.24Å; E303-S305 PolarHBondContact O-N 2.9Å; S305-A309 WeakPolarHBondContact O-CB 3.42Å; S305-A309 PolarHBondContact O-N 2.98Å
306	M	85.9	Confident	86	Confident	24 Å²	24	55.2 Å²	55.2	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-72.9	-40.5	179	-177.4	74.7	-73.7	0	0	111.4	F272 F302 E303 E304 A309 K310	F272-M306 HydrophobicContact CD1-SD 4.42Å; F272-M306 HydrophobicContact CD2-SD 4.24Å; F272-M306 HydrophobicContact CE2-SD 4.33Å; F272-M306 HydrophobicContact CG-SD 4.28Å; F272-M306 HydrophobicContact CZ-SD 4.46Å; F302-M306 WeakPolarHBondContact O-CB 3.37Å; F302-M306 PolarHBondContact O-N 3.44Å; E303-M306 PolarHBondContact O-N 2.96Å; E304-M306 VanDerWaalsContact C-N 3.29Å; E304-M306 PolarHBondContact O-N 2.91Å; M306-A309 HydrophobicContact CE-CB 3.83Å; M306-K310 HydrophobicContact CE-CG 3.91Å; M306-K310 WeakPolarHBondContact O-CB 3.2Å; M306-K310 WeakPolarHBondContact O-CG 3.4Å; M306-K310 PolarHBondContact O-N 3.41Å
307	I	86.2	Confident	85	Confident	12 Å²	12	61.5 Å²	61.5	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-47.1	173.8	-70.5	161.9	0	0	0	109.9	E303 E304 K310 M311 L327 R330 L331 F334	E303-I307 WeakPolarHBondContact O-CB 3.47Å; E303-I307 WeakPolarHBondContact O-CD1 3.49Å; E303-I307 VanDerWaalsContact O-CG1 3.25Å; E303-I307 WeakPolarHBondContact O-CG1 3.35Å; E303-I307 PolarHBondContact O-N 3.41Å; E304-I307 PolarHBondContact O-N 2.72Å; I307-K310 PolarHBondContact O-N 3.3Å; I307-M311 HydrophobicContact CG2-CE 3.77Å; I307-M311 HydrophobicContact CG2-CG 4.47Å; I307-M311 HydrophobicContact CG2-SD 4.28Å; I307-M311 WeakPolarHBondContact O-CG 3.36Å; I307-M311 PolarHBondContact O-N 2.83Å; I307-L327 HydrophobicContact CG2-CD1 4.04Å; I307-R330 HydrophobicContact CD1-CB 4.42Å; I307-R330 HydrophobicContact CG1-CB 3.81Å; I307-L331 HydrophobicContact CD1-CD2 4.16Å; I307-L331 HydrophobicContact CG2-CD2 3.7Å; I307-L331 HydrophobicContact CG2-CG 4.24Å; I307-F334 HydrophobicContact CD1-CB 3.63Å; I307-F334 HydrophobicContact CD1-CD1 4.29Å; I307-F334 HydrophobicContact CD1-CG 3.98Å
308	A	89.5	Confident	83.8	Confident	43 Å²	43	60.1 Å²	60.1	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-59.2	-49.3	178.1	0	0	0	0	0	111.9	E304 K310 M311 E312	E304-A308 WeakPolarHBondContact O-CB 3.23Å; E304-A308 PolarHBondContact O-N 3.02Å; A308-K310 VanDerWaalsContact C-N 3.28Å; A308-K310 PolarHBondContact O-N 3.12Å; A308-M311 PolarHBondContact O-N 2.88Å; A308-E312 WeakPolarHBondContact O-CG 3.36Å; A308-E312 PolarHBondContact O-N 3.21Å
309	A	85.5	Confident	82.5	Confident	37 Å²	37	68.8 Å²	68.8	31%	0.306	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-37.6	177.6	0	0	0	0	0	112.3	S305 M306 E312 T313	S305-A309 WeakPolarHBondContact O-CB 3.42Å; S305-A309 PolarHBondContact O-N 2.98Å; M306-A309 HydrophobicContact CE-CB 3.83Å; A309-E312 PolarHBondContact O-N 3.11Å; A309-T313 WeakPolarHBondContact O-CG2 3.42Å; A309-T313 PolarHBondContact O-N 3.45Å; A309-T313 PolarHBondContact O-OG1 3.27Å
310	K	81.1	Confident	81.6	Confident	46 Å²	46	73.8 Å²	73.8	20%	0.2	39%	0.392	C	S	.	.	H	α-helix	trans	-71.6	-36.3	177.4	-83.4	-88.3	179.9	165.5	0	113.2	M306 I307 A308 E312 T313 A314 D323 D326 L327 R330	M306-K310 HydrophobicContact CE-CG 3.91Å; M306-K310 WeakPolarHBondContact O-CB 3.2Å; M306-K310 WeakPolarHBondContact O-CG 3.4Å; M306-K310 PolarHBondContact O-N 3.41Å; I307-K310 PolarHBondContact O-N 3.3Å; A308-K310 VanDerWaalsContact C-N 3.28Å; A308-K310 PolarHBondContact O-N 3.12Å; K310-E312 VanDerWaalsContact C-N 3.33Å; K310-T313 WeakPolarHBondContact CA-OG1 3.22Å; K310-T313 PolarHBondContact O-N 2.67Å; K310-T313 PolarHBondContact O-OG1 3.3Å; K310-A314 WeakPolarHBondContact O-CB 3.2Å; K310-A314 PolarHBondContact O-N 3.25Å; K310-D323 IonicContact NZ-OD1 3.61Å; K310-D323 PolarHBondContact NZ-OD1 3.02Å; K310-D326 WeakPolarHBondContact CE-OD2 3.47Å; K310-D326 IonicContact NZ-OD2 3.82Å; K310-D326 PolarHBondContact NZ-OD2 3.09Å; K310-L327 HydrophobicContact CB-CD1 4.36Å; K310-R330 VanDerWaalsContact CD-NH1 3.31Å; K310-R330 VanDerWaalsContact CG-NH1 3.32Å
311	M	83	Confident	80.8	Confident	85 Å²	85	81.1 Å²	81.1	42%	0.419	42%	0.423	S	S	.	.	H	α-helix	trans	-63.7	-40.1	172	-74	-175.4	176.5	0	0	111.7	I307 A308 S315 L327 L331	I307-M311 HydrophobicContact CG2-CE 3.77Å; I307-M311 HydrophobicContact CG2-CG 4.47Å; I307-M311 HydrophobicContact CG2-SD 4.28Å; I307-M311 WeakPolarHBondContact O-CG 3.36Å; I307-M311 PolarHBondContact O-N 2.83Å; A308-M311 PolarHBondContact O-N 2.88Å; M311-S315 WeakPolarHBondContact O-CB 3.26Å; M311-S315 PolarHBondContact O-N 3.42Å; M311-L327 HydrophobicContact CE-CD1 4.09Å; M311-L327 HydrophobicContact CE-CD2 4.28Å; M311-L327 HydrophobicContact CG-CD1 3.72Å; M311-L327 HydrophobicContact CG-CD2 3.82Å; M311-L327 HydrophobicContact CG-CG 4.43Å; M311-L331 HydrophobicContact CE-CD1 4Å; M311-L331 HydrophobicContact CE-CD2 4.07Å; M311-L331 HydrophobicContact CE-CG 4.46Å
312	E	85.5	Confident	80.2	Confident	128 Å²	128	82.1 Å²	82.1	60%	0.598	43%	0.427	S	S	*	.	H	α-helix	trans	-63.4	-48.6	174.6	-71.8	176.7	177.2	0	0	111.1	A308 A309 K310 A314 S315 E316	A308-E312 WeakPolarHBondContact O-CG 3.36Å; A308-E312 PolarHBondContact O-N 3.21Å; A309-E312 PolarHBondContact O-N 3.11Å; K310-E312 VanDerWaalsContact C-N 3.33Å; E312-A314 VanDerWaalsContact C-N 3.35Å; E312-A314 PolarHBondContact O-N 3.12Å; E312-S315 WeakPolarHBondContact O-CB 3.47Å; E312-S315 PolarHBondContact O-N 3.43Å; E312-S315 VanDerWaalsContact O-N 3.09Å; E312-E316 WeakPolarHBondContact O-CG 3.44Å; E312-E316 PolarHBondContact O-N 2.74Å
313	T	81.8	Confident	79.6	Confident	51 Å²	51	83.3 Å²	83.3	31%	0.313	43%	0.434	S	S	.	.	H	α-helix	trans	-61.9	-40.9	178	53.4	0	0	0	0	112.7	A309 K310 S315 E316 L317	A309-T313 WeakPolarHBondContact O-CG2 3.42Å; A309-T313 PolarHBondContact O-N 3.45Å; A309-T313 PolarHBondContact O-OG1 3.27Å; K310-T313 WeakPolarHBondContact CA-OG1 3.22Å; K310-T313 PolarHBondContact O-N 2.67Å; K310-T313 PolarHBondContact O-OG1 3.3Å; T313-S315 VanDerWaalsContact C-N 3.27Å; T313-S315 PolarHBondContact O-N 2.88Å; T313-E316 PolarHBondContact O-N 3.48Å; T313-L317 WeakPolarHBondContact O-CB 3.07Å; T313-L317 PolarHBondContact O-N 2.97Å
314	A	80.8	Confident	79.3	Confident	9 Å²	9	86.1 Å²	86.1	7%	0.074	45%	0.449	C	S	.	.	H	α-helix	trans	-66.5	-30.5	176.7	0	0	0	0	0	112	K310 E312 G318	K310-A314 WeakPolarHBondContact O-CB 3.2Å; K310-A314 PolarHBondContact O-N 3.25Å; E312-A314 VanDerWaalsContact C-N 3.35Å; E312-A314 PolarHBondContact O-N 3.12Å; A314-G318 CarbonylContact O-C 3.56Å
315	S	80.5	Confident	78.9	Confident	102 Å²	102	84.9 Å²	84.9	71%	0.713	45%	0.449	S	S	*	.	H	α-helix	trans	-73.9	-31.5	173.5	-170.8	0	0	0	0	112.9	M311 E312 T313	M311-S315 WeakPolarHBondContact O-CB 3.26Å; M311-S315 PolarHBondContact O-N 3.42Å; E312-S315 WeakPolarHBondContact O-CB 3.47Å; E312-S315 PolarHBondContact O-N 3.43Å; E312-S315 VanDerWaalsContact O-N 3.09Å; T313-S315 VanDerWaalsContact C-N 3.27Å; T313-S315 PolarHBondContact O-N 2.88Å
316	E	79.3	Confident	78.7	Confident	161 Å²	161	83.9 Å²	83.9	75%	0.752	44%	0.439	S	S	*	.	H	α-helix	trans	-86.2	-45.1	-176.7	-72.9	-174.3	170.2	0	0	113.7	E312 T313	E312-E316 WeakPolarHBondContact O-CG 3.44Å; E312-E316 PolarHBondContact O-N 2.74Å; T313-E316 PolarHBondContact O-N 3.48Å
317	L	69.2	Low	78.5	Confident	139 Å²	139	83.8 Å²	83.8	73%	0.728	44%	0.439	S	S	*	.	H	α-helix	trans	-89.1	-4.7	-172.3	-68	165.9	0	0	0	113.4	T313	T313-L317 WeakPolarHBondContact O-CB 3.07Å; T313-L317 PolarHBondContact O-N 2.97Å
318	G	65.5	Low	78.5	Confident	39 Å²	39	89.7 Å²	89.7	40%	0.402	47%	0.466	S	S	.	.			trans	83.9	148.2	-168.7	0	0	0	0	0	110.7	A314 E320	A314-G318 CarbonylContact O-C 3.56Å; G318-E320 PolarHBondContact O-N 2.81Å; G318-E320 VanDerWaalsContact O-N 3.09Å
319	R	61.2	Low	78.3	Confident	204 Å²	204	91.1 Å²	91.1	77%	0.77	47%	0.467	S	S	*	.			trans	-74.1	100.9	-178.7	-60.7	178.7	-169.4	155.8	0.2	109.3
320	E	69.6	Low	78.1	Confident	123 Å²	123	90.4 Å²	90.4	58%	0.575	46%	0.457	S	S	*	.			trans	-79.3	139.8	159.3	-64.6	-172.7	171.4	0	0	108.2	G318 E322 D323 D324	G318-E320 PolarHBondContact O-N 2.81Å; G318-E320 VanDerWaalsContact O-N 3.09Å; E320-E322 PolarHBondContact O-N 3.17Å; E320-E322 VanDerWaalsContact O-N 3.09Å; E320-D323 PolarHBondContact O-N 2.94Å; E320-D324 PolarHBondContact O-N 3.22Å
321	E	73.4	Confident	78.3	Confident	172 Å²	172	90.9 Å²	90.9	80%	0.804	46%	0.461	S	S	*	.	H	α-helix	trans	-55.8	-29.8	-179.9	-65.9	-179.6	171.5	0	0	111.8	V325	E321-V325 VanDerWaalsContact O-CG2 3.28Å; E321-V325 WeakPolarHBondContact O-CG2 3.28Å; E321-V325 PolarHBondContact O-N 3.39Å; E321-V325 VanDerWaalsContact O-N 3.13Å
322	E	75.5	Confident	78.5	Confident	155 Å²	155	89.4 Å²	89.4	72%	0.724	46%	0.463	S	S	*	.	H	α-helix	trans	-66.9	-38.9	176.7	-63	-169.9	173.9	0	0	112.9	E320 V325 D326	E320-E322 PolarHBondContact O-N 3.17Å; E320-E322 VanDerWaalsContact O-N 3.09Å; E322-V325 PolarHBondContact O-N 3.26Å; E322-D326 WeakPolarHBondContact O-CB 3.25Å; E322-D326 PolarHBondContact O-N 2.91Å
323	D	75.4	Confident	78.3	Confident	34 Å²	34	87.7 Å²	87.7	18%	0.182	45%	0.451	C	S	.	.	H	α-helix	trans	-72	-35.6	178.7	-86.1	-35.3	0	0	0	111.6	K310 E320 D326 L327	K310-D323 IonicContact NZ-OD1 3.61Å; K310-D323 PolarHBondContact NZ-OD1 3.02Å; E320-D323 PolarHBondContact O-N 2.94Å; D323-D326 PolarHBondContact O-N 3.19Å; D323-L327 VanDerWaalsContact O-CB 3.27Å; D323-L327 WeakPolarHBondContact O-CB 3.35Å; D323-L327 PolarHBondContact O-N 2.85Å
324	D	79.4	Confident	78.5	Confident	59 Å²	59	87.2 Å²	87.2	32%	0.316	44%	0.444	S	S	.	.	H	α-helix	trans	-64.3	-43.7	174.6	-76.5	-15.5	0	0	0	110.6	E320 L327 E328	E320-D324 PolarHBondContact O-N 3.22Å; D324-L327 PolarHBondContact O-N 2.83Å; D324-E328 WeakPolarHBondContact O-CB 3.17Å; D324-E328 WeakPolarHBondContact O-CG 3.47Å; D324-E328 PolarHBondContact O-N 2.89Å
325	V	82	Confident	78.8	Confident	92 Å²	92	93.2 Å²	93.2	56%	0.558	47%	0.471	S	S	*	.	H	α-helix	trans	-64	-42.7	176.1	172.6	0	0	0	0	111.8	E321 E322 L327 E328 L329	E321-V325 VanDerWaalsContact O-CG2 3.28Å; E321-V325 WeakPolarHBondContact O-CG2 3.28Å; E321-V325 PolarHBondContact O-N 3.39Å; E321-V325 VanDerWaalsContact O-N 3.13Å; E322-V325 PolarHBondContact O-N 3.26Å; V325-L327 VanDerWaalsContact C-N 3.34Å; V325-E328 PolarHBondContact O-N 2.66Å; V325-L329 VanDerWaalsContact O-CB 3.27Å; V325-L329 WeakPolarHBondContact O-CB 3.45Å; V325-L329 PolarHBondContact O-N 3.2Å
326	D	81.8	Confident	79	Confident	46 Å²	46	92.7 Å²	92.7	25%	0.246	46%	0.457	C	S	.	.	H	α-helix	trans	-66	-37.2	177.5	-176.2	33.4	0	0	0	111.5	K310 E322 D323 R330	K310-D326 WeakPolarHBondContact CE-OD2 3.47Å; K310-D326 IonicContact NZ-OD2 3.82Å; K310-D326 PolarHBondContact NZ-OD2 3.09Å; E322-D326 WeakPolarHBondContact O-CB 3.25Å; E322-D326 PolarHBondContact O-N 2.91Å; D323-D326 PolarHBondContact O-N 3.19Å; D326-R330 VanDerWaalsContact CG-CZ 3.47Å; D326-R330 VanDerWaalsContact CG-NH2 3.29Å; D326-R330 WeakPolarHBondContact O-CG 3.5Å; D326-R330 PolarHBondContact O-N 3.49Å; D326-R330 IonicContact OD1-CZ 2.76Å; D326-R330 IonicContact OD1-NH1 3.31Å; D326-R330 PolarHBondContact OD1-NH1 3.3Å; D326-R330 VanDerWaalsContact OD1-NH1 3.12Å; D326-R330 IonicContact OD1-NH2 3.2Å; D326-R330 PolarHBondContact OD1-NH2 3.48Å; D326-R330 IonicContact OD2-CZ 3.42Å; D326-R330 IonicContact OD2-NH1 2.72Å; D326-R330 PolarHBondContact OD2-NH1 3.09Å; D326-R330 IonicContact OD2-NH2 3.65Å; D326-R330 PolarHBondContact OD2-NH2 3.02Å
327	L	83.1	Confident	79.3	Confident	22 Å²	22	85.3 Å²	85.3	12%	0.115	42%	0.423	C	S	.	.	H	α-helix	trans	-66.3	-48.3	174.3	179.8	63	0	0	0	112	I307 K310 M311 D323 D324 V325 L329 R330 L331	I307-L327 HydrophobicContact CG2-CD1 4.04Å; K310-L327 HydrophobicContact CB-CD1 4.36Å; M311-L327 HydrophobicContact CE-CD1 4.09Å; M311-L327 HydrophobicContact CE-CD2 4.28Å; M311-L327 HydrophobicContact CG-CD1 3.72Å; M311-L327 HydrophobicContact CG-CD2 3.82Å; M311-L327 HydrophobicContact CG-CG 4.43Å; D323-L327 VanDerWaalsContact O-CB 3.27Å; D323-L327 WeakPolarHBondContact O-CB 3.35Å; D323-L327 PolarHBondContact O-N 2.85Å; D324-L327 PolarHBondContact O-N 2.83Å; V325-L327 VanDerWaalsContact C-N 3.34Å; L327-L329 VanDerWaalsContact C-N 3.27Å; L327-L329 PolarHBondContact O-N 3.37Å; L327-R330 PolarHBondContact O-N 3.4Å; L327-R330 VanDerWaalsContact O-N 3.16Å; L327-L331 HydrophobicContact CD1-CD1 4.36Å; L327-L331 HydrophobicContact CD1-CG 4.45Å; L327-L331 HydrophobicContact CG-CD1 4.08Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 2.97Å
328	E	86	Confident	80.1	Confident	136 Å²	136	82.8 Å²	82.8	64%	0.636	41%	0.409	S	S	*	.	H	α-helix	trans	-58.2	-41.7	176	-76.4	-176	176.3	0	0	111.4	D324 V325 R330 L331 A332	D324-E328 WeakPolarHBondContact O-CB 3.17Å; D324-E328 WeakPolarHBondContact O-CG 3.47Å; D324-E328 PolarHBondContact O-N 2.89Å; V325-E328 PolarHBondContact O-N 2.66Å; E328-R330 PolarHBondContact O-N 3.28Å; E328-L331 PolarHBondContact O-N 3.32Å; E328-A332 VanDerWaalsContact O-CB 3.3Å; E328-A332 WeakPolarHBondContact O-CB 3.26Å; E328-A332 PolarHBondContact O-N 3.38Å
329	L	85.2	Confident	80.9	Confident	74 Å²	74	84.5 Å²	84.5	39%	0.387	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-38.3	177.3	179.3	138.5	0	0	0	112.2	V325 L327 R333	V325-L329 VanDerWaalsContact O-CB 3.27Å; V325-L329 WeakPolarHBondContact O-CB 3.45Å; V325-L329 PolarHBondContact O-N 3.2Å; L327-L329 VanDerWaalsContact C-N 3.27Å; L327-L329 PolarHBondContact O-N 3.37Å; L329-R333 VanDerWaalsContact CD2-CZ 3.43Å; L329-R333 VanDerWaalsContact CD2-NE 3.33Å; L329-R333 WeakPolarHBondContact O-CB 3.49Å; L329-R333 VanDerWaalsContact O-CG 3.23Å; L329-R333 WeakPolarHBondContact O-CG 3.17Å; L329-R333 PolarHBondContact O-N 3.3Å
330	R	80.8	Confident	82	Confident	21 Å²	21	79.2 Å²	79.2	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-69.3	-43.3	174	-71.6	-164.9	-169.7	79.8	8.8	112.5	I307 K310 D326 L327 E328 A332 R333 F334	I307-R330 HydrophobicContact CD1-CB 4.42Å; I307-R330 HydrophobicContact CG1-CB 3.81Å; K310-R330 VanDerWaalsContact CD-NH1 3.31Å; K310-R330 VanDerWaalsContact CG-NH1 3.32Å; D326-R330 VanDerWaalsContact CG-CZ 3.47Å; D326-R330 VanDerWaalsContact CG-NH2 3.29Å; D326-R330 WeakPolarHBondContact O-CG 3.5Å; D326-R330 PolarHBondContact O-N 3.49Å; D326-R330 IonicContact OD1-CZ 2.76Å; D326-R330 IonicContact OD1-NH1 3.31Å; D326-R330 PolarHBondContact OD1-NH1 3.3Å; D326-R330 VanDerWaalsContact OD1-NH1 3.12Å; D326-R330 IonicContact OD1-NH2 3.2Å; D326-R330 PolarHBondContact OD1-NH2 3.48Å; D326-R330 IonicContact OD2-CZ 3.42Å; D326-R330 IonicContact OD2-NH1 2.72Å; D326-R330 PolarHBondContact OD2-NH1 3.09Å; D326-R330 IonicContact OD2-NH2 3.65Å; D326-R330 PolarHBondContact OD2-NH2 3.02Å; L327-R330 PolarHBondContact O-N 3.4Å; L327-R330 VanDerWaalsContact O-N 3.16Å; E328-R330 PolarHBondContact O-N 3.28Å; R330-A332 VanDerWaalsContact C-N 3.33Å; R330-A332 PolarHBondContact O-N 3.04Å; R330-R333 WeakPolarHBondContact O-CB 3.5Å; R330-R333 PolarHBondContact O-N 3.48Å; R330-F334 PolarHBondContact O-N 2.99Å
331	L	85.6	Confident	82.7	Confident	57 Å²	57	78.8 Å²	78.8	30%	0.298	39%	0.388	S	S	.	.	H	α-helix	trans	-58.5	-47.1	175.4	-75.6	167.9	0	0	0	110.8	I307 M311 L327 E328 R333 F334 E335	I307-L331 HydrophobicContact CD1-CD2 4.16Å; I307-L331 HydrophobicContact CG2-CD2 3.7Å; I307-L331 HydrophobicContact CG2-CG 4.24Å; M311-L331 HydrophobicContact CE-CD1 4Å; M311-L331 HydrophobicContact CE-CD2 4.07Å; M311-L331 HydrophobicContact CE-CG 4.46Å; L327-L331 HydrophobicContact CD1-CD1 4.36Å; L327-L331 HydrophobicContact CD1-CG 4.45Å; L327-L331 HydrophobicContact CG-CD1 4.08Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 2.97Å; E328-L331 PolarHBondContact O-N 3.32Å; L331-R333 VanDerWaalsContact C-N 3.32Å; L331-R333 PolarHBondContact O-N 2.87Å; L331-F334 PolarHBondContact O-N 3.16Å; L331-E335 WeakPolarHBondContact O-CG 3.37Å; L331-E335 PolarHBondContact O-N 3.04Å
332	A	86.4	Confident	83.3	Confident	54 Å²	54	73.3 Å²	73.3	45%	0.446	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-39.1	176.3	0	0	0	0	0	112.5	E328 R330 Q336	E328-A332 VanDerWaalsContact O-CB 3.3Å; E328-A332 WeakPolarHBondContact O-CB 3.26Å; E328-A332 PolarHBondContact O-N 3.38Å; R330-A332 VanDerWaalsContact C-N 3.33Å; R330-A332 PolarHBondContact O-N 3.04Å; A332-Q336 WeakPolarHBondContact O-CB 3.12Å; A332-Q336 PolarHBondContact O-N 3.43Å
333	R	82.5	Confident	83.7	Confident	92 Å²	92	67.8 Å²	67.8	35%	0.347	34%	0.342	S	S	.	.	H	α-helix	trans	-65	-42.5	174.5	-75.9	172.4	-179.2	-165.6	0.5	112.1	E273 L329 R330 L331 Q336 L337	E273-R333 IonicContact OE1-NH1 3.47Å; E273-R333 IonicContact OE2-NH1 2.98Å; E273-R333 PolarHBondContact OE2-NH1 3.49Å; L329-R333 VanDerWaalsContact CD2-CZ 3.43Å; L329-R333 VanDerWaalsContact CD2-NE 3.33Å; L329-R333 WeakPolarHBondContact O-CB 3.49Å; L329-R333 VanDerWaalsContact O-CG 3.23Å; L329-R333 WeakPolarHBondContact O-CG 3.17Å; L329-R333 PolarHBondContact O-N 3.3Å; R330-R333 WeakPolarHBondContact O-CB 3.5Å; R330-R333 PolarHBondContact O-N 3.48Å; L331-R333 VanDerWaalsContact C-N 3.32Å; L331-R333 PolarHBondContact O-N 2.87Å; R333-Q336 CarbonylContact O-C 3.55Å; R333-Q336 WeakPolarHBondContact O-CB 3.43Å; R333-Q336 PolarHBondContact O-N 3.37Å; R333-L337 PolarHBondContact O-N 3.47Å
334	F	85.7	Confident	84.1	Confident	41 Å²	41	67.7 Å²	67.7	18%	0.18	34%	0.342	C	S	.	.	H	α-helix	trans	-67.4	-44	179.1	-179.5	-113.6	0	0	0	112.3	A300 E303 E304 I307 R330 L331 Q336 L337 I338	A300-F334 HydrophobicContact CB-CE2 4.29Å; A300-F334 WeakPolarHBondContact O-CE2 3.46Å; E303-F334 HydrophobicContact CB-CB 4.48Å; E303-F334 HydrophobicContact CB-CD2 3.61Å; E303-F334 HydrophobicContact CB-CE2 4.25Å; E303-F334 HydrophobicContact CB-CG 4.42Å; E304-F334 HydrophobicContact CB-CE2 4.45Å; E304-F334 HydrophobicContact CB-CZ 4.35Å; I307-F334 HydrophobicContact CD1-CB 3.63Å; I307-F334 HydrophobicContact CD1-CD1 4.29Å; I307-F334 HydrophobicContact CD1-CG 3.98Å; R330-F334 PolarHBondContact O-N 2.99Å; L331-F334 PolarHBondContact O-N 3.16Å; F334-Q336 VanDerWaalsContact C-N 3.25Å; F334-Q336 PolarHBondContact O-N 3.19Å; F334-L337 WeakPolarHBondContact O-CB 3.45Å; F334-L337 PolarHBondContact O-N 2.96Å; F334-L337 VanDerWaalsContact O-N 3.08Å; F334-I338 HydrophobicContact CD1-CD1 3.83Å; F334-I338 HydrophobicContact CD2-CD1 4.48Å; F334-I338 HydrophobicContact CE1-CD1 3.35Å; F334-I338 HydrophobicContact CE1-CG1 4.42Å; F334-I338 HydrophobicContact CE2-CD1 4.07Å; F334-I338 HydrophobicContact CE2-CG1 4.39Å; F334-I338 HydrophobicContact CG-CD1 4.39Å; F334-I338 HydrophobicContact CZ-CD1 3.51Å; F334-I338 HydrophobicContact CZ-CG1 4.28Å; F334-I338 WeakPolarHBondContact O-CG1 3.41Å; F334-I338 PolarHBondContact O-N 2.95Å
335	E	87.1	Confident	84.4	Confident	135 Å²	135	67.9 Å²	67.9	63%	0.631	34%	0.343	S	S	*	.	H	α-helix	trans	-59.9	-39.6	171.9	-71.6	-177.5	173.7	0	0	111.4	L331 L337 I338 S339	L331-E335 WeakPolarHBondContact O-CG 3.37Å; L331-E335 PolarHBondContact O-N 3.04Å; E335-L337 PolarHBondContact O-N 3.39Å; E335-I338 PolarHBondContact O-N 2.91Å; E335-S339 WeakPolarHBondContact O-CB 3.4Å; E335-S339 PolarHBondContact O-N 3.38Å; E335-S339 PolarHBondContact O-OG 3.29Å
336	Q	84.9	Confident	84.5	Confident	91 Å²	91	63.8 Å²	63.8	43%	0.425	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-38.6	173.8	-175.7	172.1	55.3	0	0	112.1	A332 R333 F334 S339 R340	A332-Q336 WeakPolarHBondContact O-CB 3.12Å; A332-Q336 PolarHBondContact O-N 3.43Å; R333-Q336 CarbonylContact O-C 3.55Å; R333-Q336 WeakPolarHBondContact O-CB 3.43Å; R333-Q336 PolarHBondContact O-N 3.37Å; F334-Q336 VanDerWaalsContact C-N 3.25Å; F334-Q336 PolarHBondContact O-N 3.19Å; Q336-S339 WeakPolarHBondContact CA-OG 3.49Å; Q336-S339 PolarHBondContact O-OG 3.47Å; Q336-R340 HydrophobicContact CG-CG 4.49Å; Q336-R340 VanDerWaalsContact O-CB 3.31Å; Q336-R340 WeakPolarHBondContact O-CB 3.47Å; Q336-R340 WeakPolarHBondContact O-CD 3.34Å; Q336-R340 WeakPolarHBondContact O-CG 3.47Å; Q336-R340 PolarHBondContact O-N 2.97Å
337	L	85	Confident	84.6	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-47	176	179.6	62.2	0	0	0	111.9	F296 Y299 R333 F334 E335 R340 R341 L344	F296-L337 HydrophobicContact CD2-CD1 4.36Å; F296-L337 HydrophobicContact CE2-CD1 3.66Å; F296-L337 HydrophobicContact CE2-CG 3.9Å; F296-L337 HydrophobicContact CZ-CD1 4.31Å; F296-L337 HydrophobicContact CZ-CG 4.04Å; Y299-L337 HydrophobicContact CD1-CD1 3.6Å; Y299-L337 HydrophobicContact CD1-CD2 3.35Å; Y299-L337 HydrophobicContact CD1-CG 4.1Å; Y299-L337 HydrophobicContact CD2-CD2 4.46Å; Y299-L337 HydrophobicContact CE1-CD1 3.41Å; Y299-L337 VanDerWaalsContact CE1-CD1 3.41Å; Y299-L337 HydrophobicContact CE1-CD2 3.52Å; Y299-L337 HydrophobicContact CE1-CG 4.05Å; Y299-L337 HydrophobicContact CG-CD2 3.89Å; R333-L337 PolarHBondContact O-N 3.47Å; F334-L337 WeakPolarHBondContact O-CB 3.45Å; F334-L337 PolarHBondContact O-N 2.96Å; F334-L337 VanDerWaalsContact O-N 3.08Å; E335-L337 PolarHBondContact O-N 3.39Å; L337-R340 PolarHBondContact O-N 3.5Å; L337-R341 PolarHBondContact O-N 2.9Å; L337-L344 HydrophobicContact CD1-CD1 4.42Å
338	I	85.6	Confident	84.5	Confident	87 Å²	87	61.7 Å²	61.7	45%	0.446	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-46.1	179.6	-67.8	172.9	0	0	0	110.4	F334 E335 R340 R341	F334-I338 HydrophobicContact CD1-CD1 3.83Å; F334-I338 HydrophobicContact CD2-CD1 4.48Å; F334-I338 HydrophobicContact CE1-CD1 3.35Å; F334-I338 HydrophobicContact CE1-CG1 4.42Å; F334-I338 HydrophobicContact CE2-CD1 4.07Å; F334-I338 HydrophobicContact CE2-CG1 4.39Å; F334-I338 HydrophobicContact CG-CD1 4.39Å; F334-I338 HydrophobicContact CZ-CD1 3.51Å; F334-I338 HydrophobicContact CZ-CG1 4.28Å; F334-I338 WeakPolarHBondContact O-CG1 3.41Å; F334-I338 PolarHBondContact O-N 2.95Å; E335-I338 PolarHBondContact O-N 2.91Å; I338-R340 PolarHBondContact O-N 3.32Å; I338-R341 WeakPolarHBondContact O-CB 3.25Å; I338-R341 PolarHBondContact O-N 3.06Å; I338-R341 VanDerWaalsContact O-N 3.14Å
339	S	83.6	Confident	84.4	Confident	74 Å²	74	57.4 Å²	57.4	52%	0.517	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-29.1	177.6	60.1	0	0	0	0	112.9	E335 Q336 P342	E335-S339 WeakPolarHBondContact O-CB 3.4Å; E335-S339 PolarHBondContact O-N 3.38Å; E335-S339 PolarHBondContact O-OG 3.29Å; Q336-S339 WeakPolarHBondContact CA-OG 3.49Å; Q336-S339 PolarHBondContact O-OG 3.47Å; S339-P342 WeakPolarHBondContact O-CD 3.09Å
340	R	83.1	Confident	84.3	Confident	93 Å²	93	54.4 Å²	54.4	35%	0.351	27%	0.274	S	S	.	.	H	α-helix	trans	-78	-15.6	175.6	-75.6	172.1	-179	-172.3	5.2	114.2	Q336 L337 I338 L343 L344	Q336-R340 HydrophobicContact CG-CG 4.49Å; Q336-R340 VanDerWaalsContact O-CB 3.31Å; Q336-R340 WeakPolarHBondContact O-CB 3.47Å; Q336-R340 WeakPolarHBondContact O-CD 3.34Å; Q336-R340 WeakPolarHBondContact O-CG 3.47Å; Q336-R340 PolarHBondContact O-N 2.97Å; L337-R340 PolarHBondContact O-N 3.5Å; I338-R340 PolarHBondContact O-N 3.32Å; R340-L343 WeakPolarHBondContact O-CB 3.37Å; R340-L343 PolarHBondContact O-N 3.19Å; R340-L344 HydrophobicContact CB-CD1 4.09Å; R340-L344 HydrophobicContact CB-CG 4.22Å; R340-L344 WeakPolarHBondContact O-CG 3.2Å; R340-L344 PolarHBondContact O-N 3.14Å
341	R	84.9	Confident	84.3	Confident	114 Å²	114	57.1 Å²	57.1	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-49	-48.5	-174.9	-176.2	-175.8	179.6	167.4	6.7	113.8	F296 L337 I338 L343 L344 L345	F296-R341 HydrophobicContact CD1-CG 4.32Å; F296-R341 HydrophobicContact CE1-CB 4.12Å; F296-R341 HydrophobicContact CE1-CG 3.82Å; F296-R341 HydrophobicContact CE2-CB 3.92Å; F296-R341 HydrophobicContact CE2-CG 4.09Å; F296-R341 HydrophobicContact CZ-CB 3.53Å; F296-R341 HydrophobicContact CZ-CG 3.7Å; L337-R341 PolarHBondContact O-N 2.9Å; I338-R341 WeakPolarHBondContact O-CB 3.25Å; I338-R341 PolarHBondContact O-N 3.06Å; I338-R341 VanDerWaalsContact O-N 3.14Å; R341-L343 VanDerWaalsContact C-N 3.34Å; R341-L343 PolarHBondContact O-N 3.07Å; R341-L344 PolarHBondContact O-N 2.94Å; R341-L345 WeakPolarHBondContact O-CB 3.15Å; R341-L345 PolarHBondContact O-N 3.28Å
342	P	84.7	Confident	84	Confident	57 Å²	57	58.1 Å²	58.1	37%	0.37	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-38.7	179.8	-21.7	35.9	0	0	0	112.6	S339 L345 N346 L366	S339-P342 WeakPolarHBondContact O-CD 3.09Å; P342-L345 PolarHBondContact O-N 3.3Å; P342-N346 WeakPolarHBondContact O-CB 3.44Å; P342-N346 PolarHBondContact O-N 3Å; P342-L366 HydrophobicContact CB-CD1 3.76Å; P342-L366 HydrophobicContact CB-CD2 3.53Å; P342-L366 HydrophobicContact CB-CG 4.23Å; P342-L366 HydrophobicContact CG-CD2 4.47Å; P342-L366 WeakPolarHBondContact O-CD1 3.38Å
343	L	84.1	Confident	83.8	Confident	39 Å²	39	60.2 Å²	60.2	20%	0.204	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-42.1	178.3	-63.9	175.4	0	0	0	111.3	R340 R341 N346 S347 L366 H367	R340-L343 WeakPolarHBondContact O-CB 3.37Å; R340-L343 PolarHBondContact O-N 3.19Å; R341-L343 VanDerWaalsContact C-N 3.34Å; R341-L343 PolarHBondContact O-N 3.07Å; L343-N346 PolarHBondContact O-N 3.09Å; L343-S347 WeakPolarHBondContact O-CB 3.14Å; L343-S347 PolarHBondContact O-N 2.81Å; L343-L366 HydrophobicContact CD2-CB 3.63Å; L343-L366 HydrophobicContact CD2-CD1 4.21Å; L343-H367 VanDerWaalsContact CD2-CE1 3.41Å; L343-H367 WeakPolarHBondContact CD2-CE1 3.41Å; L343-H367 WeakPolarHBondContact CD2-NE2 3.43Å
344	L	84.1	Confident	83.9	Confident	32 Å²	32	58.5 Å²	58.5	17%	0.168	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-43.6	178.1	-67.1	173.9	0	0	0	111.3	I283 F292 F296 L337 R340 R341 N346 S347 V348	I283-L344 HydrophobicContact CD1-CD1 4.43Å; I283-L344 HydrophobicContact CG2-CB 4.34Å; I283-L344 HydrophobicContact CG2-CD1 3.82Å; I283-L344 HydrophobicContact CG2-CD2 3.57Å; I283-L344 HydrophobicContact CG2-CG 4.1Å; F292-L344 HydrophobicContact CE2-CB 3.62Å; F292-L344 HydrophobicContact CE2-CD1 4.43Å; F292-L344 HydrophobicContact CZ-CB 3.5Å; F296-L344 HydrophobicContact CD2-CD1 4.41Å; F296-L344 HydrophobicContact CE2-CD1 4.19Å; L337-L344 HydrophobicContact CD1-CD1 4.42Å; R340-L344 HydrophobicContact CB-CD1 4.09Å; R340-L344 HydrophobicContact CB-CG 4.22Å; R340-L344 WeakPolarHBondContact O-CG 3.2Å; R340-L344 PolarHBondContact O-N 3.14Å; R341-L344 PolarHBondContact O-N 2.94Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-N346 PolarHBondContact O-N 2.87Å; L344-S347 WeakPolarHBondContact O-CB 3.49Å; L344-S347 PolarHBondContact O-N 3Å; L344-S347 VanDerWaalsContact O-N 3.13Å; L344-S347 PolarHBondContact O-OG 3.44Å; L344-V348 WeakPolarHBondContact O-CG2 3.28Å; L344-V348 PolarHBondContact O-N 3.2Å
345	L	85.4	Confident	83.7	Confident	64 Å²	64	58.9 Å²	58.9	34%	0.335	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-45.5	175	179.3	62.2	0	0	0	111.5	V289 F292 R341 P342 S347 V348 L349	V289-L345 HydrophobicContact CG1-CD1 3.72Å; V289-L345 HydrophobicContact CG2-CD1 4.24Å; F292-L345 HydrophobicContact CD1-CD1 4Å; F292-L345 HydrophobicContact CE1-CB 3.94Å; F292-L345 HydrophobicContact CE1-CD1 4.2Å; R341-L345 WeakPolarHBondContact O-CB 3.15Å; R341-L345 PolarHBondContact O-N 3.28Å; P342-L345 PolarHBondContact O-N 3.3Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-S347 PolarHBondContact O-N 3Å; L345-V348 WeakPolarHBondContact O-CB 3.49Å; L345-V348 PolarHBondContact O-N 3.08Å; L345-L349 PolarHBondContact O-N 3.24Å; L345-L349 VanDerWaalsContact O-N 3.16Å
346	N	84.9	Confident	83.7	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.027	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-37.1	175.7	178.9	-94.6	0	0	0	111.8	P342 L343 L344 V348 L349 L350 E359 R363 L366	P342-N346 WeakPolarHBondContact O-CB 3.44Å; P342-N346 PolarHBondContact O-N 3Å; L343-N346 PolarHBondContact O-N 3.09Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-N346 PolarHBondContact O-N 2.87Å; N346-V348 VanDerWaalsContact C-N 3.3Å; N346-V348 PolarHBondContact O-N 2.9Å; N346-L349 PolarHBondContact O-N 3.33Å; N346-L350 WeakPolarHBondContact O-CG 3.3Å; N346-L350 PolarHBondContact O-N 2.89Å; N346-L350 WeakPolarHBondContact OD1-CD1 2.99Å; N346-E359 PolarHBondContact ND2-O 2.97Å; N346-E359 PolarHBondContact ND2-OE2 3.21Å; N346-E359 VanDerWaalsContact ND2-OE2 3.14Å; N346-R363 WeakPolarHBondContact OD1-CB 3.29Å; N346-R363 WeakPolarHBondContact OD1-CD 3.41Å; N346-R363 WeakPolarHBondContact OD1-CG 3.42Å; N346-L366 HydrophobicContact CB-CD1 4.1Å
347	S	85	Confident	83.6	Confident	25 Å²	25	50.5 Å²	50.5	18%	0.175	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-37.3	174.2	81.7	0	0	0	0	112.7	L343 L344 L345 L350 R351	L343-S347 WeakPolarHBondContact O-CB 3.14Å; L343-S347 PolarHBondContact O-N 2.81Å; L344-S347 WeakPolarHBondContact O-CB 3.49Å; L344-S347 PolarHBondContact O-N 3Å; L344-S347 VanDerWaalsContact O-N 3.13Å; L344-S347 PolarHBondContact O-OG 3.44Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-S347 PolarHBondContact O-N 3Å; S347-L350 PolarHBondContact O-N 3.28Å; S347-R351 WeakPolarHBondContact O-CG 3.1Å; S347-R351 PolarHBondContact O-N 3.42Å
348	V	80.4	Confident	83.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-44.2	174.7	177.1	0	0	0	0	110.2	M287 V289 F292 L344 L345 N346 R351 Q352	M287-V348 VanDerWaalsContact O-CG1 3.3Å; M287-V348 WeakPolarHBondContact O-CG1 3.45Å; V289-V348 HydrophobicContact CG2-CG1 4.4Å; F292-V348 HydrophobicContact CB-CG1 4.49Å; F292-V348 HydrophobicContact CB-CG2 3.87Å; F292-V348 HydrophobicContact CD1-CG2 4.39Å; F292-V348 HydrophobicContact CD2-CG2 3.7Å; F292-V348 HydrophobicContact CE2-CG2 4.41Å; F292-V348 HydrophobicContact CG-CG2 3.7Å; L344-V348 WeakPolarHBondContact O-CG2 3.28Å; L344-V348 PolarHBondContact O-N 3.2Å; L345-V348 WeakPolarHBondContact O-CB 3.49Å; L345-V348 PolarHBondContact O-N 3.08Å; N346-V348 VanDerWaalsContact C-N 3.3Å; N346-V348 PolarHBondContact O-N 2.9Å; V348-R351 VanDerWaalsContact CG2-NH2 3.26Å; V348-R351 WeakPolarHBondContact O-CB 3.44Å; V348-R351 PolarHBondContact O-N 3.44Å; V348-Q352 WeakPolarHBondContact O-CG 3.2Å; V348-Q352 PolarHBondContact O-N 3.14Å
349	L	82.8	Confident	83.6	Confident	45 Å²	45	52.3 Å²	52.3	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-40.6	177.4	-64	173.9	0	0	0	112.3	V289 L345 N346 R351 Q352 N353 E359	V289-L349 HydrophobicContact CG2-CD2 3.67Å; V289-L349 HydrophobicContact CG2-CG 4.48Å; L345-L349 PolarHBondContact O-N 3.24Å; L345-L349 VanDerWaalsContact O-N 3.16Å; N346-L349 PolarHBondContact O-N 3.33Å; L349-R351 VanDerWaalsContact C-N 3.3Å; L349-R351 PolarHBondContact O-N 2.83Å; L349-Q352 WeakPolarHBondContact O-CB 3.47Å; L349-Q352 PolarHBondContact O-N 3.39Å; L349-N353 PolarHBondContact O-N 3.08Å; L349-E359 HydrophobicContact CB-CG 4.13Å; L349-E359 HydrophobicContact CD1-CG 4.49Å; L349-E359 WeakPolarHBondContact CD1-OE2 3.3Å
350	L	83.7	Confident	83.8	Confident	12 Å²	12	49.3 Å²	49.3	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-31	174.1	-69.5	178.1	0	0	0	112.3	N346 S347 N353 P354 E359 W360	N346-L350 WeakPolarHBondContact O-CG 3.3Å; N346-L350 PolarHBondContact O-N 2.89Å; N346-L350 WeakPolarHBondContact OD1-CD1 2.99Å; S347-L350 PolarHBondContact O-N 3.28Å; L350-N353 CarbonylContact O-C 3.57Å; L350-P354 WeakPolarHBondContact O-CA 3.4Å; L350-P354 WeakPolarHBondContact O-CD 3.25Å; L350-P354 WeakPolarHBondContact O-CG 3.37Å; L350-E359 HydrophobicContact CD2-CB 3.71Å; L350-E359 HydrophobicContact CG-CB 4.4Å; L350-W360 HydrophobicContact CD1-CD2 4.02Å; L350-W360 HydrophobicContact CD1-CE3 3.93Å; L350-W360 HydrophobicContact CD1-CH2 4.04Å; L350-W360 HydrophobicContact CD1-CZ2 4.08Å; L350-W360 HydrophobicContact CD1-CZ3 3.97Å; L350-W360 HydrophobicContact CD2-CD2 3.86Å; L350-W360 HydrophobicContact CD2-CG 3.96Å; L350-W360 HydrophobicContact CD2-CZ2 4.19Å
351	R	81.2	Confident	83.9	Confident	77 Å²	77	47 Å²	47	29%	0.291	23%	0.232	S	C	.	.	H	α-helix	trans	-69.7	-33.7	171.7	-75.7	-169.7	-62.6	-112.8	5.5	112.6	I283 R284 V286 S347 V348 L349	I283-R351 PolarHBondContact O-NH1 3.43Å; I283-R351 PolarHBondContact O-NH2 3.18Å; R284-R351 PolarHBondContact O-NE 3.24Å; R284-R351 PolarHBondContact O-NH1 3.29Å; V286-R351 PolarHBondContact O-NE 2.89Å; V286-R351 PolarHBondContact O-NH2 2.88Å; S347-R351 WeakPolarHBondContact O-CG 3.1Å; S347-R351 PolarHBondContact O-N 3.42Å; V348-R351 VanDerWaalsContact CG2-NH2 3.26Å; V348-R351 WeakPolarHBondContact O-CB 3.44Å; V348-R351 PolarHBondContact O-N 3.44Å; L349-R351 VanDerWaalsContact C-N 3.3Å; L349-R351 PolarHBondContact O-N 2.83Å
352	Q	78.9	Confident	83.8	Confident	78 Å²	78	46.9 Å²	46.9	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-64.8	-49.9	172.6	-68.1	177	0.5	0	0	110.7	M287 V348 L349	M287-Q352 WeakPolarHBondContact O-CG 3.22Å; M287-Q352 PolarHBondContact O-NE2 3.36Å; V348-Q352 WeakPolarHBondContact O-CG 3.2Å; V348-Q352 PolarHBondContact O-N 3.14Å; L349-Q352 WeakPolarHBondContact O-CB 3.47Å; L349-Q352 PolarHBondContact O-N 3.39Å
353	N	81.5	Confident	83.8	Confident	98 Å²	98	46.4 Å²	46.4	52%	0.524	23%	0.225	S	C	.	.			trans	-138.4	92.9	-178	-72.2	-40.6	0	0	0	111.3	L349 L350 H355 H356	L349-N353 PolarHBondContact O-N 3.08Å; L350-N353 CarbonylContact O-C 3.57Å; N353-H355 PolarHBondContact O-N 3.48Å; N353-H355 VanDerWaalsContact O-N 3.15Å; N353-H356 HydrophobicContact CB-CB 4.2Å; N353-H356 PolarHBondContact O-N 3.15Å
354	P	84.4	Confident	83.8	Confident	56 Å²	56	45.3 Å²	45.3	36%	0.364	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.6	-179.5	-25.3	34.3	0	0	0	113.8	L350 H356 W360	L350-P354 WeakPolarHBondContact O-CA 3.4Å; L350-P354 WeakPolarHBondContact O-CD 3.25Å; L350-P354 WeakPolarHBondContact O-CG 3.37Å; P354-H356 VanDerWaalsContact C-N 3.33Å; P354-H356 PolarHBondContact O-N 3.03Å; P354-W360 PolarHBondContact O-NE1 3Å
355	H	82.8	Confident	83.8	Confident	50 Å²	50	46 Å²	46	23%	0.231	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.7	-175.4	-50.1	-50.1	0	0	0	113.7	N353 V357 T384 K389 A390 T391	N353-H355 PolarHBondContact O-N 3.48Å; N353-H355 VanDerWaalsContact O-N 3.15Å; H355-V357 PolarHBondContact O-N 3.47Å; H355-T384 PolarHBondContact CE1-O 2.9Å; H355-T384 PolarHBondContact ND1-O 3.39Å; H355-K389 HydrophobicContact CB-CB 4.37Å; H355-A390 WeakPolarHBondContact O-CA 3.46Å; H355-T391 PolarHBondContact O-N 3Å
356	H	86.6	Confident	83.6	Confident	50 Å²	50	46.6 Å²	46.6	23%	0.231	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-86.5	106.1	-178.7	-163.8	80.1	0	0	0	112	N353 P354 H358 E359 W360 T391	N353-H356 HydrophobicContact CB-CB 4.2Å; N353-H356 PolarHBondContact O-N 3.15Å; P354-H356 VanDerWaalsContact C-N 3.33Å; P354-H356 PolarHBondContact O-N 3.03Å; H356-H358 AromaticContact NE2-CD2 3.96Å; H356-H358 PolarHBondContact O-N 3.18Å; H356-E359 PolarHBondContact CD2-N 3.38Å; H356-E359 PolarHBondContact O-N 3.49Å; H356-W360 VanDerWaalsContact O-CD1 3.23Å; H356-T391 WeakPolarHBondContact CA-OG1 3.15Å; H356-T391 PolarHBondContact ND1-OG1 3.23Å
357	V	82.6	Confident	83.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-38	-171	171.5	0	0	0	0	112.8	H355 E359 W360 H361 V385 A390 T391 T396 L397	H355-V357 PolarHBondContact O-N 3.47Å; V357-E359 VanDerWaalsContact C-N 3.32Å; V357-E359 PolarHBondContact O-N 2.97Å; V357-W360 PolarHBondContact O-N 3.01Å; V357-H361 PolarHBondContact O-CD2 3.42Å; V357-H361 VanDerWaalsContact O-CD2 3.28Å; V357-H361 PolarHBondContact O-N 2.72Å; V357-V385 HydrophobicContact CG2-CG1 4.32Å; V357-A390 HydrophobicContact CG2-CB 4.28Å; V357-T391 PolarHBondContact N-O 3.22Å; V357-T391 VanDerWaalsContact N-O 3.09Å; V357-T396 WeakPolarHBondContact CG1-OG1 3.33Å; V357-L397 HydrophobicContact CB-CD1 4.37Å; V357-L397 HydrophobicContact CG1-CD1 3.97Å; V357-L397 HydrophobicContact CG1-CD2 4Å; V357-L397 HydrophobicContact CG1-CG 3.62Å; V357-L397 HydrophobicContact CG2-CD1 4.01Å
358	H	85.3	Confident	83	Confident	104 Å²	104	53.2 Å²	53.2	48%	0.481	26%	0.261	S	S	.	.	H	α-helix	trans	-68.3	-30.1	-178.3	-65.3	-70.1	0	0	0	113.2	H356 H361 K362	H356-H358 AromaticContact NE2-CD2 3.96Å; H356-H358 PolarHBondContact O-N 3.18Å; H358-H361 PolarHBondContact O-N 3.37Å; H358-K362 WeakPolarHBondContact O-CG 3.42Å; H358-K362 PolarHBondContact O-N 3.03Å
359	E	84.9	Confident	82.9	Confident	25 Å²	25	56.8 Å²	56.8	12%	0.117	30%	0.298	C	S	.	.	H	α-helix	trans	-72.5	-33.6	177.9	-75.6	-44.4	129.9	0	0	110.4	N346 L349 L350 H356 V357 K362 R363	N346-E359 PolarHBondContact ND2-O 2.97Å; N346-E359 PolarHBondContact ND2-OE2 3.21Å; N346-E359 VanDerWaalsContact ND2-OE2 3.14Å; L349-E359 HydrophobicContact CB-CG 4.13Å; L349-E359 HydrophobicContact CD1-CG 4.49Å; L349-E359 WeakPolarHBondContact CD1-OE2 3.3Å; L350-E359 HydrophobicContact CD2-CB 3.71Å; L350-E359 HydrophobicContact CG-CB 4.4Å; H356-E359 PolarHBondContact CD2-N 3.38Å; H356-E359 PolarHBondContact O-N 3.49Å; V357-E359 VanDerWaalsContact C-N 3.32Å; V357-E359 PolarHBondContact O-N 2.97Å; E359-K362 PolarHBondContact O-N 3.36Å; E359-K362 IonicContact OE1-NZ 2.73Å; E359-K362 PolarHBondContact OE1-NZ 2.92Å; E359-K362 WeakPolarHBondContact OE2-CD 3.49Å; E359-K362 IonicContact OE2-NZ 2.76Å; E359-R363 PolarHBondContact O-N 2.92Å
360	W	87.8	Confident	82.9	Confident	11 Å²	11	61.3 Å²	61.3	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-41	171	-74.3	107.8	0	0	0	112.4	L350 P354 H356 V357 K362 R363 V364 E380 A381 T384 L397	L350-W360 HydrophobicContact CD1-CD2 4.02Å; L350-W360 HydrophobicContact CD1-CE3 3.93Å; L350-W360 HydrophobicContact CD1-CH2 4.04Å; L350-W360 HydrophobicContact CD1-CZ2 4.08Å; L350-W360 HydrophobicContact CD1-CZ3 3.97Å; L350-W360 HydrophobicContact CD2-CD2 3.86Å; L350-W360 HydrophobicContact CD2-CG 3.96Å; L350-W360 HydrophobicContact CD2-CZ2 4.19Å; P354-W360 PolarHBondContact O-NE1 3Å; H356-W360 VanDerWaalsContact O-CD1 3.23Å; V357-W360 PolarHBondContact O-N 3.01Å; W360-K362 VanDerWaalsContact C-N 3.35Å; W360-K362 PolarHBondContact O-N 3.03Å; W360-R363 WeakPolarHBondContact O-CB 3.35Å; W360-R363 PolarHBondContact O-N 2.86Å; W360-V364 WeakPolarHBondContact O-CG2 3.33Å; W360-V364 PolarHBondContact O-N 3Å; W360-E380 HydrophobicContact CH2-CB 3.99Å; W360-E380 HydrophobicContact CZ3-CB 3.97Å; W360-A381 HydrophobicContact CB-CB 4.12Å; W360-A381 HydrophobicContact CD2-CB 3.48Å; W360-A381 VanDerWaalsContact CD2-CB 3.48Å; W360-A381 HydrophobicContact CE3-CB 3.46Å; W360-A381 VanDerWaalsContact CE3-CB 3.46Å; W360-A381 HydrophobicContact CG-CB 3.78Å; W360-A381 HydrophobicContact CZ3-CB 4.02Å; W360-T384 HydrophobicContact CZ2-CG2 4.35Å; W360-T384 WeakPolarHBondContact CZ2-OG1 3.49Å; W360-L397 HydrophobicContact CB-CD2 3.73Å
361	H	85.8	Confident	82.9	Confident	46 Å²	46	63.8 Å²	63.8	21%	0.213	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-40.4	173	-75.6	-63	0	0	0	112.3	V357 H358 R363 V364 A365 T396	V357-H361 PolarHBondContact O-CD2 3.42Å; V357-H361 VanDerWaalsContact O-CD2 3.28Å; V357-H361 PolarHBondContact O-N 2.72Å; H358-H361 PolarHBondContact O-N 3.37Å; H361-R363 VanDerWaalsContact C-N 3.33Å; H361-R363 PolarHBondContact O-N 2.75Å; H361-V364 PolarHBondContact O-N 2.93Å; H361-A365 PolarHBondContact O-N 3.12Å; H361-T396 PolarHBondContact CE1-O 3.28Å; H361-T396 VanDerWaalsContact CE1-O 3.28Å; H361-T396 PolarHBondContact NE2-OG1 3.38Å
362	K	83.6	Confident	83.2	Confident	111 Å²	111	70 Å²	70	48%	0.483	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-41.4	172.8	-71.4	174.2	-173.5	171.4	0	111.2	H358 E359 W360 V364 A365 L366	H358-K362 WeakPolarHBondContact O-CG 3.42Å; H358-K362 PolarHBondContact O-N 3.03Å; E359-K362 PolarHBondContact O-N 3.36Å; E359-K362 IonicContact OE1-NZ 2.73Å; E359-K362 PolarHBondContact OE1-NZ 2.92Å; E359-K362 WeakPolarHBondContact OE2-CD 3.49Å; E359-K362 IonicContact OE2-NZ 2.76Å; W360-K362 VanDerWaalsContact C-N 3.35Å; W360-K362 PolarHBondContact O-N 3.03Å; K362-V364 VanDerWaalsContact C-N 3.3Å; K362-V364 PolarHBondContact O-N 3.24Å; K362-A365 WeakPolarHBondContact O-CB 3.34Å; K362-A365 PolarHBondContact O-N 3.21Å; K362-A365 VanDerWaalsContact O-N 3.15Å; K362-L366 VanDerWaalsContact O-CG 3.3Å; K362-L366 WeakPolarHBondContact O-CG 3.37Å; K362-L366 PolarHBondContact O-N 3.31Å
363	R	84.4	Confident	83.4	Confident	47 Å²	47	69.3 Å²	69.3	18%	0.177	35%	0.348	C	S	.	.	H	α-helix	trans	-56.9	-46.1	175.2	-162.9	168.2	168.8	-170.5	-12.5	111.5	N346 E359 W360 H361 A365 L366 H367 T377 E380	N346-R363 WeakPolarHBondContact OD1-CB 3.29Å; N346-R363 WeakPolarHBondContact OD1-CD 3.41Å; N346-R363 WeakPolarHBondContact OD1-CG 3.42Å; E359-R363 PolarHBondContact O-N 2.92Å; W360-R363 WeakPolarHBondContact O-CB 3.35Å; W360-R363 PolarHBondContact O-N 2.86Å; H361-R363 VanDerWaalsContact C-N 3.33Å; H361-R363 PolarHBondContact O-N 2.75Å; R363-A365 VanDerWaalsContact C-N 3.35Å; R363-A365 PolarHBondContact O-N 3.49Å; R363-L366 WeakPolarHBondContact O-CB 3.16Å; R363-L366 PolarHBondContact O-N 3.07Å; R363-L366 VanDerWaalsContact O-N 3.17Å; R363-H367 PolarHBondContact O-CD2 3.48Å; R363-H367 PolarHBondContact O-N 3.05Å; R363-T377 HydrophobicContact CG-CG2 4.22Å; R363-E380 IonicContact CZ-OE2 2.87Å; R363-E380 IonicContact NH1-OE2 3.63Å; R363-E380 PolarHBondContact NH1-OE2 2.71Å; R363-E380 VanDerWaalsContact NH1-OE2 3.17Å; R363-E380 IonicContact NH2-OE2 3.7Å; R363-E380 PolarHBondContact NH2-OE2 3.17Å
364	V	83	Confident	83.7	Confident	15 Å²	15	65 Å²	65	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-43.7	176.9	171.5	0	0	0	0	111.2	W360 H361 K362 L366 H367 Q368 I374 Y378	W360-V364 WeakPolarHBondContact O-CG2 3.33Å; W360-V364 PolarHBondContact O-N 3Å; H361-V364 PolarHBondContact O-N 2.93Å; K362-V364 VanDerWaalsContact C-N 3.3Å; K362-V364 PolarHBondContact O-N 3.24Å; V364-L366 PolarHBondContact O-N 3.13Å; V364-H367 PolarHBondContact O-N 2.87Å; V364-Q368 PolarHBondContact O-N 3.25Å; V364-I374 HydrophobicContact CG1-CG1 4.35Å; V364-I374 HydrophobicContact CG1-CG2 3.74Å; V364-Y378 HydrophobicContact CB-CE2 4.19Å; V364-Y378 HydrophobicContact CG1-CD2 4.46Å; V364-Y378 HydrophobicContact CG1-CE2 3.56Å; V364-Y378 WeakPolarHBondContact CG1-OH 3.38Å; V364-Y378 HydrophobicContact CG2-CD1 4.04Å; V364-Y378 HydrophobicContact CG2-CD2 3.95Å; V364-Y378 HydrophobicContact CG2-CE1 3.72Å; V364-Y378 HydrophobicContact CG2-CE2 3.65Å; V364-Y378 HydrophobicContact CG2-CG 4.13Å
365	A	85.7	Confident	83.9	Confident	46 Å²	46	64.1 Å²	64.1	38%	0.38	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-31.8	176.4	0	0	0	0	0	112.3	H361 K362 R363 Q368	H361-A365 PolarHBondContact O-N 3.12Å; K362-A365 WeakPolarHBondContact O-CB 3.34Å; K362-A365 PolarHBondContact O-N 3.21Å; K362-A365 VanDerWaalsContact O-N 3.15Å; R363-A365 VanDerWaalsContact C-N 3.35Å; R363-A365 PolarHBondContact O-N 3.49Å; A365-Q368 WeakPolarHBondContact O-CB 3.4Å; A365-Q368 VanDerWaalsContact O-CD 3.24Å; A365-Q368 WeakPolarHBondContact O-CG 3.3Å; A365-Q368 PolarHBondContact O-N 3.03Å
366	L	81.2	Confident	84.2	Confident	77 Å²	77	66.2 Å²	66.2	40%	0.403	33%	0.33	S	S	.	.	H	α-helix	trans	-73	-26.5	174.6	-66	173	0	0	0	113.2	P342 L343 N346 K362 R363 V364 Q368	P342-L366 HydrophobicContact CB-CD1 3.76Å; P342-L366 HydrophobicContact CB-CD2 3.53Å; P342-L366 HydrophobicContact CB-CG 4.23Å; P342-L366 HydrophobicContact CG-CD2 4.47Å; P342-L366 WeakPolarHBondContact O-CD1 3.38Å; L343-L366 HydrophobicContact CD2-CB 3.63Å; L343-L366 HydrophobicContact CD2-CD1 4.21Å; N346-L366 HydrophobicContact CB-CD1 4.1Å; K362-L366 VanDerWaalsContact O-CG 3.3Å; K362-L366 WeakPolarHBondContact O-CG 3.37Å; K362-L366 PolarHBondContact O-N 3.31Å; R363-L366 WeakPolarHBondContact O-CB 3.16Å; R363-L366 PolarHBondContact O-N 3.07Å; R363-L366 VanDerWaalsContact O-N 3.17Å; V364-L366 PolarHBondContact O-N 3.13Å; L366-Q368 VanDerWaalsContact C-N 3.27Å; L366-Q368 PolarHBondContact O-N 3.38Å
367	H	80.3	Confident	84.2	Confident	17 Å²	17	64 Å²	64	8%	0.079	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	11.7	175.6	-68.6	-70	0	0	0	113.5	L343 R363 V364 G369 R370 E373 I374 T377	L343-H367 VanDerWaalsContact CD2-CE1 3.41Å; L343-H367 WeakPolarHBondContact CD2-CE1 3.41Å; L343-H367 WeakPolarHBondContact CD2-NE2 3.43Å; R363-H367 PolarHBondContact O-CD2 3.48Å; R363-H367 PolarHBondContact O-N 3.05Å; V364-H367 PolarHBondContact O-N 2.87Å; H367-G369 PolarHBondContact O-N 3.4Å; H367-R370 PolarHBondContact O-N 2.88Å; H367-E373 HydrophobicContact CB-CB 4.28Å; H367-E373 IonicContact CE1-OE2 2.71Å; H367-E373 PolarHBondContact CE1-OE2 2.91Å; H367-E373 IonicContact CG-OE2 3.88Å; H367-E373 IonicContact ND1-OE2 3.26Å; H367-E373 PolarHBondContact ND1-OE2 3.45Å; H367-I374 HydrophobicContact CB-CG1 3.72Å; H367-I374 WeakPolarHBondContact O-CD1 3.3Å; H367-I374 WeakPolarHBondContact O-CG1 3.27Å; H367-T377 WeakPolarHBondContact CD2-CG2 3.1Å; H367-T377 WeakPolarHBondContact NE2-CG2 3.37Å
368	Q	75.9	Confident	84.4	Confident	153 Å²	153	64.6 Å²	64.6	72%	0.715	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	129.4	176.8	-81.3	173.5	11	0	0	111.4	V364 A365 L366	V364-Q368 PolarHBondContact O-N 3.25Å; A365-Q368 WeakPolarHBondContact O-CB 3.4Å; A365-Q368 VanDerWaalsContact O-CD 3.24Å; A365-Q368 WeakPolarHBondContact O-CG 3.3Å; A365-Q368 PolarHBondContact O-N 3.03Å; L366-Q368 VanDerWaalsContact C-N 3.27Å; L366-Q368 PolarHBondContact O-N 3.38Å
369	G	78	Confident	84.6	Confident	74 Å²	74	62.1 Å²	62.1	76%	0.763	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-10	-176.3	0	0	0	0	0	115.5	H367	H367-G369 PolarHBondContact O-N 3.4Å
370	R	82.9	Confident	84.7	Confident	140 Å²	140	64.7 Å²	64.7	53%	0.528	33%	0.327	S	S	.	.			trans	-118.9	90	177.5	-64.2	-175.5	-172.1	168.6	7.1	111.6	H367 R372 E373 I374	H367-R370 PolarHBondContact O-N 2.88Å; R370-R372 VanDerWaalsContact C-N 3.34Å; R370-R372 PolarHBondContact O-N 3.43Å; R370-E373 HydrophobicContact CB-CB 4.11Å; R370-E373 HydrophobicContact CB-CG 4.16Å; R370-E373 WeakPolarHBondContact CD-OE1 3.31Å; R370-E373 VanDerWaalsContact CD-OE2 3.22Å; R370-E373 WeakPolarHBondContact CD-OE2 3.39Å; R370-E373 IonicContact CZ-OE1 2.79Å; R370-E373 IonicContact NE-OE1 3.11Å; R370-E373 IonicContact NH1-OE1 3.45Å; R370-E373 PolarHBondContact NH1-OE1 3.34Å; R370-E373 IonicContact NH1-OE2 2.98Å; R370-E373 PolarHBondContact NH1-OE2 3Å; R370-E373 PolarHBondContact O-N 3.4Å; R370-E373 VanDerWaalsContact O-N 3.17Å; R370-I374 WeakPolarHBondContact O-CG1 3.41Å; R370-I374 PolarHBondContact O-N 3.17Å; R370-I374 VanDerWaalsContact O-N 3.12Å
371	P	84.3	Confident	84.7	Confident	64 Å²	64	64.2 Å²	64.2	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-36.3	-169.8	23.1	-33.8	0	0	0	113.9	E373 I374 I375 F404	P371-E373 PolarHBondContact O-N 3.09Å; P371-I374 PolarHBondContact O-N 3.39Å; P371-I375 WeakPolarHBondContact O-CG1 3.48Å; P371-I375 PolarHBondContact O-N 3.45Å; P371-F404 HydrophobicContact CB-CE1 4.34Å; P371-F404 HydrophobicContact CB-CZ 3.73Å
372	R	86.7	Confident	84.7	Confident	209 Å²	209	63.9 Å²	63.9	79%	0.789	33%	0.326	S	S	*	.	H	α-helix	trans	-63.8	-39.5	177.4	-67.7	-178.3	176.9	162.6	-0.7	112.7	R370 I375 N376	R370-R372 VanDerWaalsContact C-N 3.34Å; R370-R372 PolarHBondContact O-N 3.43Å; R372-I375 PolarHBondContact O-N 3.13Å; R372-N376 VanDerWaalsContact O-CG 3.26Å; R372-N376 PolarHBondContact O-N 3.35Å
373	E	84.2	Confident	84.8	Confident	62 Å²	62	66.1 Å²	66.1	29%	0.29	34%	0.338	S	S	.	.	H	α-helix	trans	-70.4	-40.1	178.3	-66.5	-179.6	-170	0	0	110.7	H367 R370 P371 I375 N376 T377	H367-E373 HydrophobicContact CB-CB 4.28Å; H367-E373 IonicContact CE1-OE2 2.71Å; H367-E373 PolarHBondContact CE1-OE2 2.91Å; H367-E373 IonicContact CG-OE2 3.88Å; H367-E373 IonicContact ND1-OE2 3.26Å; H367-E373 PolarHBondContact ND1-OE2 3.45Å; R370-E373 HydrophobicContact CB-CB 4.11Å; R370-E373 HydrophobicContact CB-CG 4.16Å; R370-E373 WeakPolarHBondContact CD-OE1 3.31Å; R370-E373 VanDerWaalsContact CD-OE2 3.22Å; R370-E373 WeakPolarHBondContact CD-OE2 3.39Å; R370-E373 IonicContact CZ-OE1 2.79Å; R370-E373 IonicContact NE-OE1 3.11Å; R370-E373 IonicContact NH1-OE1 3.45Å; R370-E373 PolarHBondContact NH1-OE1 3.34Å; R370-E373 IonicContact NH1-OE2 2.98Å; R370-E373 PolarHBondContact NH1-OE2 3Å; R370-E373 PolarHBondContact O-N 3.4Å; R370-E373 VanDerWaalsContact O-N 3.17Å; P371-E373 PolarHBondContact O-N 3.09Å; E373-I375 VanDerWaalsContact C-N 3.31Å; E373-I375 PolarHBondContact O-N 3.45Å; E373-N376 PolarHBondContact O-N 3.47Å; E373-T377 VanDerWaalsContact O-CG2 3.26Å; E373-T377 WeakPolarHBondContact O-CG2 3.42Å; E373-T377 PolarHBondContact O-N 3.45Å; E373-T377 PolarHBondContact O-OG1 3.38Å; E373-T377 VanDerWaalsContact O-OG1 3.13Å
374	I	87.2	Confident	84.8	Confident	9 Å²	9	66.7 Å²	66.7	5%	0.046	35%	0.347	C	S	.	.	H	α-helix	trans	-57.8	-46	174.1	-65.6	169.3	0	0	0	110.4	V364 H367 R370 P371 N376 T377 Y378 F404	V364-I374 HydrophobicContact CG1-CG1 4.35Å; V364-I374 HydrophobicContact CG1-CG2 3.74Å; H367-I374 HydrophobicContact CB-CG1 3.72Å; H367-I374 WeakPolarHBondContact O-CD1 3.3Å; H367-I374 WeakPolarHBondContact O-CG1 3.27Å; R370-I374 WeakPolarHBondContact O-CG1 3.41Å; R370-I374 PolarHBondContact O-N 3.17Å; R370-I374 VanDerWaalsContact O-N 3.12Å; P371-I374 PolarHBondContact O-N 3.39Å; I374-N376 PolarHBondContact O-N 2.97Å; I374-T377 WeakPolarHBondContact CA-OG1 3.36Å; I374-T377 PolarHBondContact O-N 3.14Å; I374-T377 PolarHBondContact O-OG1 2.87Å; I374-Y378 HydrophobicContact CG2-CD2 3.56Å; I374-Y378 HydrophobicContact CG2-CE2 3.5Å; I374-Y378 WeakPolarHBondContact O-CD2 3.32Å; I374-Y378 PolarHBondContact O-N 2.82Å; I374-F404 HydrophobicContact CB-CE1 4.07Å; I374-F404 HydrophobicContact CB-CE2 4.02Å; I374-F404 HydrophobicContact CB-CZ 3.79Å; I374-F404 HydrophobicContact CD1-CD2 4.2Å; I374-F404 HydrophobicContact CD1-CE2 3.4Å; I374-F404 VanDerWaalsContact CD1-CE2 3.4Å; I374-F404 HydrophobicContact CD1-CZ 3.81Å; I374-F404 HydrophobicContact CG1-CE2 4.3Å; I374-F404 HydrophobicContact CG1-CZ 4.4Å; I374-F404 HydrophobicContact CG2-CD1 3.78Å; I374-F404 HydrophobicContact CG2-CD2 3.67Å; I374-F404 HydrophobicContact CG2-CE1 3.78Å; I374-F404 HydrophobicContact CG2-CE2 3.67Å; I374-F404 HydrophobicContact CG2-CG 3.73Å; I374-F404 HydrophobicContact CG2-CZ 3.73Å
375	I	87.6	Confident	84.9	Confident	36 Å²	36	66.7 Å²	66.7	19%	0.185	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-45.5	177.3	-67.3	164.9	0	0	0	111.8	P371 R372 E373 T377 Y378 T379 F401 F404 Y405	P371-I375 WeakPolarHBondContact O-CG1 3.48Å; P371-I375 PolarHBondContact O-N 3.45Å; R372-I375 PolarHBondContact O-N 3.13Å; E373-I375 VanDerWaalsContact C-N 3.31Å; E373-I375 PolarHBondContact O-N 3.45Å; I375-T377 PolarHBondContact O-N 2.72Å; I375-Y378 PolarHBondContact O-N 2.98Å; I375-T379 VanDerWaalsContact O-CB 3.32Å; I375-T379 WeakPolarHBondContact O-CB 3.32Å; I375-T379 PolarHBondContact O-N 3.44Å; I375-T379 PolarHBondContact O-OG1 3.06Å; I375-F401 HydrophobicContact CG2-CE2 4.35Å; I375-F401 HydrophobicContact CG2-CZ 4.42Å; I375-F404 HydrophobicContact CD1-CE1 4.24Å; I375-F404 HydrophobicContact CG1-CD1 4.22Å; I375-F404 HydrophobicContact CG1-CE1 3.76Å; I375-Y405 HydrophobicContact CD1-CE1 4.04Å; I375-Y405 HydrophobicContact CG1-CE1 4.44Å; I375-Y405 HydrophobicContact CG1-CE2 4.25Å; I375-Y405 VanDerWaalsContact CG2-OH 3.24Å; I375-Y405 WeakPolarHBondContact CG2-OH 3.41Å
376	N	89.3	Confident	84.6	Confident	95 Å²	95	67 Å²	67	51%	0.508	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-43.3	178.3	-69.7	-12	0	0	0	111.3	R372 E373 I374 T379 E380	R372-N376 VanDerWaalsContact O-CG 3.26Å; R372-N376 PolarHBondContact O-N 3.35Å; E373-N376 PolarHBondContact O-N 3.47Å; I374-N376 PolarHBondContact O-N 2.97Å; N376-T379 WeakPolarHBondContact O-CB 2.86Å; N376-T379 PolarHBondContact O-N 3.38Å; N376-E380 WeakPolarHBondContact O-CB 3.21Å; N376-E380 WeakPolarHBondContact O-CG 3.41Å; N376-E380 PolarHBondContact O-N 2.66Å
377	T	87.1	Confident	84.5	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-40.2	178.8	57.9	0	0	0	0	113.3	R363 H367 E373 I374 I375 A381	R363-T377 HydrophobicContact CG-CG2 4.22Å; H367-T377 WeakPolarHBondContact CD2-CG2 3.1Å; H367-T377 WeakPolarHBondContact NE2-CG2 3.37Å; E373-T377 VanDerWaalsContact O-CG2 3.26Å; E373-T377 WeakPolarHBondContact O-CG2 3.42Å; E373-T377 PolarHBondContact O-N 3.45Å; E373-T377 PolarHBondContact O-OG1 3.38Å; E373-T377 VanDerWaalsContact O-OG1 3.13Å; I374-T377 WeakPolarHBondContact CA-OG1 3.36Å; I374-T377 PolarHBondContact O-N 3.14Å; I374-T377 PolarHBondContact O-OG1 2.87Å; I375-T377 PolarHBondContact O-N 2.72Å; T377-A381 VanDerWaalsContact O-CB 3.3Å; T377-A381 WeakPolarHBondContact O-CB 3.43Å; T377-A381 PolarHBondContact O-N 2.86Å
378	Y	86.9	Confident	84.4	Confident	13 Å²	13	69.8 Å²	69.8	5%	0.051	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-37.5	171.4	-82.8	-60.2	0	0	0	112.3	V364 I374 I375 A381 V382 A400 F401 F404	V364-Y378 HydrophobicContact CB-CE2 4.19Å; V364-Y378 HydrophobicContact CG1-CD2 4.46Å; V364-Y378 HydrophobicContact CG1-CE2 3.56Å; V364-Y378 WeakPolarHBondContact CG1-OH 3.38Å; V364-Y378 HydrophobicContact CG2-CD1 4.04Å; V364-Y378 HydrophobicContact CG2-CD2 3.95Å; V364-Y378 HydrophobicContact CG2-CE1 3.72Å; V364-Y378 HydrophobicContact CG2-CE2 3.65Å; V364-Y378 HydrophobicContact CG2-CG 4.13Å; I374-Y378 HydrophobicContact CG2-CD2 3.56Å; I374-Y378 HydrophobicContact CG2-CE2 3.5Å; I374-Y378 WeakPolarHBondContact O-CD2 3.32Å; I374-Y378 PolarHBondContact O-N 2.82Å; I375-Y378 PolarHBondContact O-N 2.98Å; Y378-A381 WeakPolarHBondContact O-CB 3.48Å; Y378-A381 PolarHBondContact O-N 2.74Å; Y378-V382 WeakPolarHBondContact O-CB 3.43Å; Y378-V382 VanDerWaalsContact O-CG2 3.29Å; Y378-V382 WeakPolarHBondContact O-CG2 3.49Å; Y378-V382 PolarHBondContact O-N 2.91Å; Y378-A400 HydrophobicContact CE1-CB 4.09Å; Y378-A400 WeakPolarHBondContact OH-CB 3.44Å; Y378-F401 HydrophobicContact CD1-CB 3.91Å; Y378-F401 HydrophobicContact CD1-CD2 4.32Å; Y378-F401 HydrophobicContact CD1-CG 4.32Å; Y378-F401 HydrophobicContact CD2-CB 4.24Å; Y378-F401 AromaticContact CD2-CD2 3.42Å; Y378-F401 HydrophobicContact CD2-CD2 3.42Å; Y378-F401 VanDerWaalsContact CD2-CD2 3.42Å; Y378-F401 HydrophobicContact CD2-CE2 4.07Å; Y378-F401 HydrophobicContact CD2-CG 4.18Å; Y378-F401 HydrophobicContact CE1-CB 4.31Å; Y378-F401 HydrophobicContact CE2-CD2 4.3Å; Y378-F401 HydrophobicContact CG-CB 3.89Å; Y378-F401 AromaticContact CG-CD2 3.43Å; Y378-F401 HydrophobicContact CG-CD2 3.43Å; Y378-F401 VanDerWaalsContact CG-CD2 3.43Å; Y378-F401 HydrophobicContact CG-CE2 4.04Å; Y378-F401 AromaticContact CG-CG 3.84Å; Y378-F401 HydrophobicContact CG-CG 3.84Å; Y378-F404 HydrophobicContact CE2-CB 4.26Å
379	T	89.9	Confident	84.6	Confident	52 Å²	52	68.8 Å²	68.8	32%	0.319	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-43.6	176.6	-57	0	0	0	0	111	I375 N376 Q383	I375-T379 VanDerWaalsContact O-CB 3.32Å; I375-T379 WeakPolarHBondContact O-CB 3.32Å; I375-T379 PolarHBondContact O-N 3.44Å; I375-T379 PolarHBondContact O-OG1 3.06Å; N376-T379 WeakPolarHBondContact O-CB 2.86Å; N376-T379 PolarHBondContact O-N 3.38Å; T379-Q383 VanDerWaalsContact O-CG 3.3Å; T379-Q383 WeakPolarHBondContact O-CG 3.45Å; T379-Q383 PolarHBondContact O-N 3Å; T379-Q383 VanDerWaalsContact O-N 3.12Å
380	E	87.5	Confident	84.6	Confident	79 Å²	79	66.3 Å²	66.3	37%	0.369	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-45.8	171.2	-74.3	174.1	-163.5	0	0	111.4	W360 R363 N376 V382 Q383 T384	W360-E380 HydrophobicContact CH2-CB 3.99Å; W360-E380 HydrophobicContact CZ3-CB 3.97Å; R363-E380 IonicContact CZ-OE2 2.87Å; R363-E380 IonicContact NH1-OE2 3.63Å; R363-E380 PolarHBondContact NH1-OE2 2.71Å; R363-E380 VanDerWaalsContact NH1-OE2 3.17Å; R363-E380 IonicContact NH2-OE2 3.7Å; R363-E380 PolarHBondContact NH2-OE2 3.17Å; N376-E380 WeakPolarHBondContact O-CB 3.21Å; N376-E380 WeakPolarHBondContact O-CG 3.41Å; N376-E380 PolarHBondContact O-N 2.66Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 PolarHBondContact O-N 3.41Å; E380-Q383 PolarHBondContact O-N 3.09Å; E380-T384 WeakPolarHBondContact O-CB 3.27Å; E380-T384 WeakPolarHBondContact O-CG2 3.44Å; E380-T384 PolarHBondContact O-N 3.12Å; E380-T384 PolarHBondContact O-OG1 2.9Å
381	A	87.3	Confident	84.1	Confident	1 Å²	1	63 Å²	63	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-58.6	-47	178.8	0	0	0	0	0	111.4	W360 T377 Y378 Q383 T384 V385 L397	W360-A381 HydrophobicContact CB-CB 4.12Å; W360-A381 HydrophobicContact CD2-CB 3.48Å; W360-A381 VanDerWaalsContact CD2-CB 3.48Å; W360-A381 HydrophobicContact CE3-CB 3.46Å; W360-A381 VanDerWaalsContact CE3-CB 3.46Å; W360-A381 HydrophobicContact CG-CB 3.78Å; W360-A381 HydrophobicContact CZ3-CB 4.02Å; T377-A381 VanDerWaalsContact O-CB 3.3Å; T377-A381 WeakPolarHBondContact O-CB 3.43Å; T377-A381 PolarHBondContact O-N 2.86Å; Y378-A381 WeakPolarHBondContact O-CB 3.48Å; Y378-A381 PolarHBondContact O-N 2.74Å; A381-Q383 VanDerWaalsContact C-N 3.32Å; A381-Q383 PolarHBondContact O-N 2.95Å; A381-T384 PolarHBondContact O-N 2.95Å; A381-T384 PolarHBondContact O-OG1 3.19Å; A381-V385 VanDerWaalsContact O-CB 3.25Å; A381-V385 WeakPolarHBondContact O-CB 3.38Å; A381-V385 WeakPolarHBondContact O-CG2 3.26Å; A381-V385 PolarHBondContact O-N 3.08Å; A381-L397 HydrophobicContact CB-CD1 4.44Å
382	V	84.6	Confident	83.7	Confident	39 Å²	39	61.9 Å²	61.9	24%	0.236	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-35.3	179.4	162.6	0	0	0	0	112.4	Y378 E380 W398	Y378-V382 WeakPolarHBondContact O-CB 3.43Å; Y378-V382 VanDerWaalsContact O-CG2 3.29Å; Y378-V382 WeakPolarHBondContact O-CG2 3.49Å; Y378-V382 PolarHBondContact O-N 2.91Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 PolarHBondContact O-N 3.41Å; V382-W398 HydrophobicContact CB-CH2 4.3Å; V382-W398 HydrophobicContact CB-CZ2 4.15Å; V382-W398 HydrophobicContact CG1-CH2 3.28Å; V382-W398 HydrophobicContact CG1-CZ2 3.23Å; V382-W398 HydrophobicContact CG1-CZ3 4.16Å; V382-W398 HydrophobicContact CG2-CD2 4.16Å; V382-W398 HydrophobicContact CG2-CE3 4.26Å; V382-W398 HydrophobicContact CG2-CH2 4.02Å; V382-W398 HydrophobicContact CG2-CZ2 3.85Å; V382-W398 HydrophobicContact CG2-CZ3 4.2Å
383	Q	86.5	Confident	83.4	Confident	157 Å²	157	58.2 Å²	58.2	73%	0.734	31%	0.305	S	S	*	.	H	α-helix	trans	-77.5	-31.7	179	-71.7	176.1	7.5	0	0	113	T379 E380 A381	T379-Q383 VanDerWaalsContact O-CG 3.3Å; T379-Q383 WeakPolarHBondContact O-CG 3.45Å; T379-Q383 PolarHBondContact O-N 3Å; T379-Q383 VanDerWaalsContact O-N 3.12Å; E380-Q383 PolarHBondContact O-N 3.09Å; A381-Q383 VanDerWaalsContact C-N 3.32Å; A381-Q383 PolarHBondContact O-N 2.95Å
384	T	85.2	Confident	83.4	Confident	60 Å²	60	55.7 Å²	55.7	37%	0.368	29%	0.294	S	S	.	.	H	α-helix	trans	-90.5	-33	-174.6	53.8	0	0	0	0	113.4	H355 W360 E380 A381 D386	H355-T384 PolarHBondContact CE1-O 2.9Å; H355-T384 PolarHBondContact ND1-O 3.39Å; W360-T384 HydrophobicContact CZ2-CG2 4.35Å; W360-T384 WeakPolarHBondContact CZ2-OG1 3.49Å; E380-T384 WeakPolarHBondContact O-CB 3.27Å; E380-T384 WeakPolarHBondContact O-CG2 3.44Å; E380-T384 PolarHBondContact O-N 3.12Å; E380-T384 PolarHBondContact O-OG1 2.9Å; A381-T384 PolarHBondContact O-N 2.95Å; A381-T384 PolarHBondContact O-OG1 3.19Å; T384-D386 PolarHBondContact O-N 3.33Å
385	V	83.8	Confident	83.2	Confident	14 Å²	14	56.2 Å²	56.2	9%	0.085	30%	0.296	C	S	.	.			trans	-79.6	105.6	-176.3	178	0	0	0	0	110.1	V357 A381 P387 A390 L397	V357-V385 HydrophobicContact CG2-CG1 4.32Å; A381-V385 VanDerWaalsContact O-CB 3.25Å; A381-V385 WeakPolarHBondContact O-CB 3.38Å; A381-V385 WeakPolarHBondContact O-CG2 3.26Å; A381-V385 PolarHBondContact O-N 3.08Å; V385-P387 WeakPolarHBondContact O-CD 3.46Å; V385-A390 HydrophobicContact CG1-CB 3.95Å; V385-L397 HydrophobicContact CB-CD1 4.41Å; V385-L397 HydrophobicContact CG1-CD1 4.41Å; V385-L397 HydrophobicContact CG2-CD1 4.02Å
386	D	80.8	Confident	83.2	Confident	52 Å²	52	56.4 Å²	56.4	28%	0.278	30%	0.299	S	S	.	.			trans	-72.7	118.7	167.4	-177.4	-5.9	0	0	0	109.7	T384 F388 K389 A390	T384-D386 PolarHBondContact O-N 3.33Å; D386-F388 PolarHBondContact O-N 3.45Å; D386-F388 VanDerWaalsContact O-N 3.07Å; D386-F388 PolarHBondContact OD1-N 3.01Å; D386-F388 VanDerWaalsContact OD1-N 3.12Å; D386-K389 HydrophobicContact CB-CB 4.36Å; D386-K389 HydrophobicContact CB-CD 4.44Å; D386-K389 PolarHBondContact O-N 3.21Å; D386-K389 VanDerWaalsContact O-N 3.13Å; D386-A390 PolarHBondContact O-N 3.44Å
387	P	78.4	Confident	83.1	Confident	24 Å²	24	52.1 Å²	52.1	16%	0.156	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.5	-179.5	-24.2	33.5	0	0	0	114.4	V385 V424 N425 F426	V385-P387 WeakPolarHBondContact O-CD 3.46Å; P387-V424 HydrophobicContact CG-CG1 3.56Å; P387-N425 WeakPolarHBondContact CB-O 3.46Å; P387-F426 HydrophobicContact CB-CD1 4.29Å
388	F	79	Confident	83.2	Confident	129 Å²	129	53 Å²	53	57%	0.566	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-29.4	179.8	-67.8	-79.4	0	0	0	113.6	D386 K427	D386-F388 PolarHBondContact O-N 3.45Å; D386-F388 VanDerWaalsContact O-N 3.07Å; D386-F388 PolarHBondContact OD1-N 3.01Å; D386-F388 VanDerWaalsContact OD1-N 3.12Å; F388-K427 HydrophobicContact CD1-CB 4.44Å
389	K	80.1	Confident	83.3	Confident	132 Å²	132	53.2 Å²	53.2	57%	0.574	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-6	-178.2	-62.4	176.1	-175.1	169.7	0	113.3	H355 D386 T391	H355-K389 HydrophobicContact CB-CB 4.37Å; D386-K389 HydrophobicContact CB-CB 4.36Å; D386-K389 HydrophobicContact CB-CD 4.44Å; D386-K389 PolarHBondContact O-N 3.21Å; D386-K389 VanDerWaalsContact O-N 3.13Å; K389-T391 PolarHBondContact O-N 2.88Å
390	A	77.3	Confident	83.1	Confident	23 Å²	23	51.9 Å²	51.9	19%	0.19	28%	0.275	C	S	.	.			trans	-57.8	131.1	-176.8	0	0	0	0	0	112.1	H355 V357 V385 D386 P394	H355-A390 WeakPolarHBondContact O-CA 3.46Å; V357-A390 HydrophobicContact CG2-CB 4.28Å; V385-A390 HydrophobicContact CG1-CB 3.95Å; D386-A390 PolarHBondContact O-N 3.44Å; A390-P394 HydrophobicContact CB-CB 4.48Å; A390-P394 HydrophobicContact CB-CG 3.58Å
391	T	72.4	Confident	83.1	Confident	70 Å²	70	48.7 Å²	48.7	43%	0.429	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-98.2	115	166.4	49.2	0	0	0	0	107.7	H355 H356 V357 K389	H355-T391 PolarHBondContact O-N 3Å; H356-T391 WeakPolarHBondContact CA-OG1 3.15Å; H356-T391 PolarHBondContact ND1-OG1 3.23Å; V357-T391 PolarHBondContact N-O 3.22Å; V357-T391 VanDerWaalsContact N-O 3.09Å; K389-T391 PolarHBondContact O-N 2.88Å
392	G	75.8	Confident	83.1	Confident	40 Å²	40	48.9 Å²	48.9	41%	0.412	26%	0.262	S	S	.	.	S	Bend	trans	107.4	-175.5	-169.1	0	0	0	0	0	112.4	P394	G392-P394 VanDerWaalsContact O-CD 3.29Å; G392-P394 WeakPolarHBondContact O-CD 3.37Å
393	K	80	Confident	83.2	Confident	132 Å²	132	50.8 Å²	50.8	57%	0.574	27%	0.267	S	S	*	.			trans	-91.9	103.7	-176.3	-74.2	176.3	177.1	-175.7	0	110.7	H395 T396	K393-H395 VanDerWaalsContact C-N 3.28Å; K393-H395 PolarHBondContact O-N 3.04Å; K393-T396 HydrophobicContact CB-CG2 3.68Å; K393-T396 WeakPolarHBondContact O-CB 3.23Å; K393-T396 WeakPolarHBondContact O-CG2 3.35Å; K393-T396 PolarHBondContact O-N 3.16Å; K393-T396 VanDerWaalsContact O-N 3.09Å; K393-T396 PolarHBondContact O-OG1 2.89Å
394	P	83.8	Confident	83.2	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.058	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.3	-172.2	-22	35.3	0	0	0	113.4	A390 G392 T396 L397 F426	A390-P394 HydrophobicContact CB-CB 4.48Å; A390-P394 HydrophobicContact CB-CG 3.58Å; G392-P394 VanDerWaalsContact O-CD 3.29Å; G392-P394 WeakPolarHBondContact O-CD 3.37Å; P394-T396 PolarHBondContact O-N 2.97Å; P394-T396 VanDerWaalsContact O-N 3.15Å; P394-L397 PolarHBondContact O-N 3.02Å; P394-L397 VanDerWaalsContact O-N 3.15Å; P394-F426 HydrophobicContact CB-CD1 4.05Å; P394-F426 HydrophobicContact CB-CE1 3.97Å
395	H	83.3	Confident	83.3	Confident	21 Å²	21	43 Å²	43	10%	0.097	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-28.6	176.9	64.4	-96	0	0	0	112.6	K393 L397 W398 V399 D431 V435	K393-H395 VanDerWaalsContact C-N 3.28Å; K393-H395 PolarHBondContact O-N 3.04Å; H395-L397 VanDerWaalsContact C-N 3.26Å; H395-L397 PolarHBondContact O-N 3.32Å; H395-W398 PolarHBondContact O-N 2.61Å; H395-V399 VanDerWaalsContact O-CG2 3.26Å; H395-V399 WeakPolarHBondContact O-CG2 3.36Å; H395-V399 PolarHBondContact O-N 2.96Å; H395-D431 HydrophobicContact CB-CB 4.12Å; H395-D431 WeakPolarHBondContact CB-O 3.46Å; H395-D431 IonicContact CE1-OD1 3.71Å; H395-D431 PolarHBondContact CE1-OD1 3.08Å; H395-D431 VanDerWaalsContact CE1-OD1 3.31Å; H395-D431 IonicContact CG-OD1 3.95Å; H395-D431 IonicContact ND1-OD1 2.63Å; H395-D431 PolarHBondContact ND1-OD1 3.2Å; H395-V435 HydrophobicContact CB-CG2 3.73Å
396	T	87.8	Confident	83.4	Confident	40 Å²	40	43.6 Å²	43.6	25%	0.245	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-31.6	-179.6	64.3	0	0	0	0	112.5	V357 H361 K393 P394 A400	V357-T396 WeakPolarHBondContact CG1-OG1 3.33Å; H361-T396 PolarHBondContact CE1-O 3.28Å; H361-T396 VanDerWaalsContact CE1-O 3.28Å; H361-T396 PolarHBondContact NE2-OG1 3.38Å; K393-T396 HydrophobicContact CB-CG2 3.68Å; K393-T396 WeakPolarHBondContact O-CB 3.23Å; K393-T396 WeakPolarHBondContact O-CG2 3.35Å; K393-T396 PolarHBondContact O-N 3.16Å; K393-T396 VanDerWaalsContact O-N 3.09Å; K393-T396 PolarHBondContact O-OG1 2.89Å; P394-T396 PolarHBondContact O-N 2.97Å; P394-T396 VanDerWaalsContact O-N 3.15Å; T396-A400 VanDerWaalsContact O-CB 3.23Å; T396-A400 WeakPolarHBondContact O-CB 3.2Å; T396-A400 PolarHBondContact O-N 3.2Å
397	L	87	Confident	83.6	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-46.8	174.9	-68.5	170.8	0	0	0	110.8	V357 W360 A381 V385 P394 H395 A400 F401	V357-L397 HydrophobicContact CB-CD1 4.37Å; V357-L397 HydrophobicContact CG1-CD1 3.97Å; V357-L397 HydrophobicContact CG1-CD2 4Å; V357-L397 HydrophobicContact CG1-CG 3.62Å; V357-L397 HydrophobicContact CG2-CD1 4.01Å; W360-L397 HydrophobicContact CB-CD2 3.73Å; A381-L397 HydrophobicContact CB-CD1 4.44Å; V385-L397 HydrophobicContact CB-CD1 4.41Å; V385-L397 HydrophobicContact CG1-CD1 4.41Å; V385-L397 HydrophobicContact CG2-CD1 4.02Å; P394-L397 PolarHBondContact O-N 3.02Å; P394-L397 VanDerWaalsContact O-N 3.15Å; H395-L397 VanDerWaalsContact C-N 3.26Å; H395-L397 PolarHBondContact O-N 3.32Å; L397-A400 PolarHBondContact O-N 3.25Å; L397-F401 VanDerWaalsContact O-CB 3.25Å; L397-F401 WeakPolarHBondContact O-CB 3.45Å; L397-F401 PolarHBondContact O-N 3.03Å
398	W	89.7	Confident	83.9	Confident	23 Å²	23	50 Å²	50	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-42.4	178.4	-71.7	102.4	0	0	0	112.4	V382 H395 F401 A402 I417 K420 A421 V424 F426	V382-W398 HydrophobicContact CB-CH2 4.3Å; V382-W398 HydrophobicContact CB-CZ2 4.15Å; V382-W398 HydrophobicContact CG1-CH2 3.28Å; V382-W398 HydrophobicContact CG1-CZ2 3.23Å; V382-W398 HydrophobicContact CG1-CZ3 4.16Å; V382-W398 HydrophobicContact CG2-CD2 4.16Å; V382-W398 HydrophobicContact CG2-CE3 4.26Å; V382-W398 HydrophobicContact CG2-CH2 4.02Å; V382-W398 HydrophobicContact CG2-CZ2 3.85Å; V382-W398 HydrophobicContact CG2-CZ3 4.2Å; H395-W398 PolarHBondContact O-N 2.61Å; W398-F401 PolarHBondContact O-N 2.8Å; W398-A402 WeakPolarHBondContact O-CB 3.39Å; W398-A402 PolarHBondContact O-N 3.38Å; W398-I417 HydrophobicContact CE3-CG2 3.88Å; W398-I417 HydrophobicContact CZ3-CG2 4.22Å; W398-K420 HydrophobicContact CH2-CB 3.97Å; W398-K420 HydrophobicContact CZ3-CB 3.8Å; W398-A421 HydrophobicContact CB-CB 3.69Å; W398-A421 HydrophobicContact CD2-CB 3.47Å; W398-A421 VanDerWaalsContact CD2-CB 3.47Å; W398-A421 HydrophobicContact CE3-CB 3.53Å; W398-A421 HydrophobicContact CG-CB 3.57Å; W398-A421 HydrophobicContact CZ3-CB 4.25Å; W398-V424 HydrophobicContact CH2-CG2 4.27Å; W398-V424 HydrophobicContact CZ2-CG2 3.51Å; W398-F426 AromaticContact CD1-CZ 3.8Å
399	V	88.1	Confident	84.1	Confident	16 Å²	16	46.6 Å²	46.6	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-44	177.7	172.6	0	0	0	0	110.9	H395 F401 A402 K403 Q438	H395-V399 VanDerWaalsContact O-CG2 3.26Å; H395-V399 WeakPolarHBondContact O-CG2 3.36Å; H395-V399 PolarHBondContact O-N 2.96Å; V399-F401 VanDerWaalsContact C-N 3.33Å; V399-A402 PolarHBondContact O-N 2.85Å; V399-K403 HydrophobicContact CG1-CD 4.2Å; V399-K403 WeakPolarHBondContact O-CB 3.09Å; V399-K403 WeakPolarHBondContact O-CG 3.39Å; V399-K403 PolarHBondContact O-N 3.45Å; V399-Q438 HydrophobicContact CB-CG 4.37Å; V399-Q438 HydrophobicContact CG1-CB 4.17Å; V399-Q438 HydrophobicContact CG1-CG 3.7Å; V399-Q438 HydrophobicContact CG2-CB 3.88Å; V399-Q438 HydrophobicContact CG2-CG 3.67Å
400	A	86.9	Confident	84.3	Confident	24 Å²	24	44.3 Å²	44.3	20%	0.198	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-35.4	177.4	0	0	0	0	0	111.8	Y378 T396 L397 K403 F404	Y378-A400 HydrophobicContact CE1-CB 4.09Å; Y378-A400 WeakPolarHBondContact OH-CB 3.44Å; T396-A400 VanDerWaalsContact O-CB 3.23Å; T396-A400 WeakPolarHBondContact O-CB 3.2Å; T396-A400 PolarHBondContact O-N 3.2Å; L397-A400 PolarHBondContact O-N 3.25Å; A400-K403 PolarHBondContact O-N 2.84Å; A400-F404 WeakPolarHBondContact O-CB 3.47Å; A400-F404 PolarHBondContact O-N 3.16Å
401	F	86.6	Confident	84.7	Confident	13 Å²	13	45.3 Å²	45.3	6%	0.057	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-42.9	173.4	-168.5	-150.1	0	0	0	111.3	I375 Y378 L397 W398 V399 F404 Y405 I417	I375-F401 HydrophobicContact CG2-CE2 4.35Å; I375-F401 HydrophobicContact CG2-CZ 4.42Å; Y378-F401 HydrophobicContact CD1-CB 3.91Å; Y378-F401 HydrophobicContact CD1-CD2 4.32Å; Y378-F401 HydrophobicContact CD1-CG 4.32Å; Y378-F401 HydrophobicContact CD2-CB 4.24Å; Y378-F401 AromaticContact CD2-CD2 3.42Å; Y378-F401 HydrophobicContact CD2-CD2 3.42Å; Y378-F401 VanDerWaalsContact CD2-CD2 3.42Å; Y378-F401 HydrophobicContact CD2-CE2 4.07Å; Y378-F401 HydrophobicContact CD2-CG 4.18Å; Y378-F401 HydrophobicContact CE1-CB 4.31Å; Y378-F401 HydrophobicContact CE2-CD2 4.3Å; Y378-F401 HydrophobicContact CG-CB 3.89Å; Y378-F401 AromaticContact CG-CD2 3.43Å; Y378-F401 HydrophobicContact CG-CD2 3.43Å; Y378-F401 VanDerWaalsContact CG-CD2 3.43Å; Y378-F401 HydrophobicContact CG-CE2 4.04Å; Y378-F401 AromaticContact CG-CG 3.84Å; Y378-F401 HydrophobicContact CG-CG 3.84Å; L397-F401 VanDerWaalsContact O-CB 3.25Å; L397-F401 WeakPolarHBondContact O-CB 3.45Å; L397-F401 PolarHBondContact O-N 3.03Å; W398-F401 PolarHBondContact O-N 2.8Å; V399-F401 VanDerWaalsContact C-N 3.33Å; F401-F404 WeakPolarHBondContact O-CB 3.34Å; F401-F404 PolarHBondContact O-N 3.41Å; F401-Y405 HydrophobicContact CD2-CD2 4.15Å; F401-Y405 AromaticContact CD2-CE2 3.76Å; F401-Y405 HydrophobicContact CD2-CE2 3.76Å; F401-Y405 HydrophobicContact CE1-CE2 4.35Å; F401-Y405 HydrophobicContact CE2-CD2 4.16Å; F401-Y405 AromaticContact CE2-CE2 3.32Å; F401-Y405 HydrophobicContact CE2-CE2 3.32Å; F401-Y405 HydrophobicContact CG-CE2 4.49Å; F401-Y405 AromaticContact CZ-CE2 3.64Å; F401-Y405 HydrophobicContact CZ-CE2 3.64Å; F401-Y405 VanDerWaalsContact O-CD2 3.31Å; F401-Y405 WeakPolarHBondContact O-CD2 3.23Å; F401-Y405 PolarHBondContact O-N 2.96Å; F401-I417 HydrophobicContact CB-CG2 4.18Å; F401-I417 HydrophobicContact CD1-CB 4.25Å; F401-I417 HydrophobicContact CD1-CD1 3.65Å; F401-I417 HydrophobicContact CD1-CG1 3.86Å; F401-I417 HydrophobicContact CD1-CG2 3.36Å; F401-I417 HydrophobicContact CD2-CD1 4.32Å; F401-I417 HydrophobicContact CE1-CD1 3.47Å; F401-I417 VanDerWaalsContact CE1-CD1 3.47Å; F401-I417 HydrophobicContact CE1-CG1 3.67Å; F401-I417 HydrophobicContact CE1-CG2 4.07Å; F401-I417 HydrophobicContact CE2-CD1 4.22Å; F401-I417 HydrophobicContact CG-CD1 4.08Å; F401-I417 HydrophobicContact CG-CG2 4Å; F401-I417 HydrophobicContact CZ-CD1 3.79Å; F401-I417 HydrophobicContact CZ-CG1 4.41Å
402	A	87.6	Confident	85.5	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-46.1	175.4	0	0	0	0	0	112.4	W398 V399 F404 Y405 E406 I417 L418	W398-A402 WeakPolarHBondContact O-CB 3.39Å; W398-A402 PolarHBondContact O-N 3.38Å; V399-A402 PolarHBondContact O-N 2.85Å; A402-F404 PolarHBondContact O-N 3.21Å; A402-Y405 PolarHBondContact O-N 3.41Å; A402-Y405 VanDerWaalsContact O-N 3.08Å; A402-E406 PolarHBondContact O-N 3.42Å; A402-I417 HydrophobicContact CB-CG2 4.39Å; A402-L418 HydrophobicContact CB-CD1 4.01Å; A402-L418 HydrophobicContact CB-CD2 3.61Å; A402-L418 HydrophobicContact CB-CG 3.6Å
403	K	86.9	Confident	86	Confident	79 Å²	79	48.7 Å²	48.7	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-59.4	-35.1	174.7	-73.9	-178.5	178.8	-174.6	0	112.1	V399 A400 Y405 E406 D407 Q438	V399-K403 HydrophobicContact CG1-CD 4.2Å; V399-K403 WeakPolarHBondContact O-CB 3.09Å; V399-K403 WeakPolarHBondContact O-CG 3.39Å; V399-K403 PolarHBondContact O-N 3.45Å; A400-K403 PolarHBondContact O-N 2.84Å; K403-Y405 VanDerWaalsContact C-N 3.35Å; K403-Y405 PolarHBondContact O-N 3.22Å; K403-E406 WeakPolarHBondContact O-CB 3.31Å; K403-E406 PolarHBondContact O-N 2.8Å; K403-D407 WeakPolarHBondContact O-CB 3.41Å; K403-D407 PolarHBondContact O-N 3.01Å; K403-Q438 VanDerWaalsContact CE-OE1 3.23Å
404	F	86.6	Confident	86.4	Confident	30 Å²	30	42.4 Å²	42.4	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-36.6	175.3	-178.3	-98.5	0	0	0	113	P371 I374 I375 Y378 A400 F401 A402 N408	P371-F404 HydrophobicContact CB-CE1 4.34Å; P371-F404 HydrophobicContact CB-CZ 3.73Å; I374-F404 HydrophobicContact CB-CE1 4.07Å; I374-F404 HydrophobicContact CB-CE2 4.02Å; I374-F404 HydrophobicContact CB-CZ 3.79Å; I374-F404 HydrophobicContact CD1-CD2 4.2Å; I374-F404 HydrophobicContact CD1-CE2 3.4Å; I374-F404 VanDerWaalsContact CD1-CE2 3.4Å; I374-F404 HydrophobicContact CD1-CZ 3.81Å; I374-F404 HydrophobicContact CG1-CE2 4.3Å; I374-F404 HydrophobicContact CG1-CZ 4.4Å; I374-F404 HydrophobicContact CG2-CD1 3.78Å; I374-F404 HydrophobicContact CG2-CD2 3.67Å; I374-F404 HydrophobicContact CG2-CE1 3.78Å; I374-F404 HydrophobicContact CG2-CE2 3.67Å; I374-F404 HydrophobicContact CG2-CG 3.73Å; I374-F404 HydrophobicContact CG2-CZ 3.73Å; I375-F404 HydrophobicContact CD1-CE1 4.24Å; I375-F404 HydrophobicContact CG1-CD1 4.22Å; I375-F404 HydrophobicContact CG1-CE1 3.76Å; Y378-F404 HydrophobicContact CE2-CB 4.26Å; A400-F404 WeakPolarHBondContact O-CB 3.47Å; A400-F404 PolarHBondContact O-N 3.16Å; F401-F404 WeakPolarHBondContact O-CB 3.34Å; F401-F404 PolarHBondContact O-N 3.41Å; A402-F404 PolarHBondContact O-N 3.21Å; F404-N408 WeakPolarHBondContact CE1-ND2 3.41Å; F404-N408 WeakPolarHBondContact CZ-ND2 3.4Å; F404-N408 PolarHBondContact O-N 2.91Å; F404-N408 PolarHBondContact O-ND2 3.29Å
405	Y	87.3	Confident	86.5	Confident	25 Å²	25	45.4 Å²	45.4	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-75.3	-33.7	172.7	-80.4	-84.7	0	0	0	112.7	I375 F401 A402 K403 N408 G409 Q410 D413 I417	I375-Y405 HydrophobicContact CD1-CE1 4.04Å; I375-Y405 HydrophobicContact CG1-CE1 4.44Å; I375-Y405 HydrophobicContact CG1-CE2 4.25Å; I375-Y405 VanDerWaalsContact CG2-OH 3.24Å; I375-Y405 WeakPolarHBondContact CG2-OH 3.41Å; F401-Y405 HydrophobicContact CD2-CD2 4.15Å; F401-Y405 AromaticContact CD2-CE2 3.76Å; F401-Y405 HydrophobicContact CD2-CE2 3.76Å; F401-Y405 HydrophobicContact CE1-CE2 4.35Å; F401-Y405 HydrophobicContact CE2-CD2 4.16Å; F401-Y405 AromaticContact CE2-CE2 3.32Å; F401-Y405 HydrophobicContact CE2-CE2 3.32Å; F401-Y405 HydrophobicContact CG-CE2 4.49Å; F401-Y405 AromaticContact CZ-CE2 3.64Å; F401-Y405 HydrophobicContact CZ-CE2 3.64Å; F401-Y405 VanDerWaalsContact O-CD2 3.31Å; F401-Y405 WeakPolarHBondContact O-CD2 3.23Å; F401-Y405 PolarHBondContact O-N 2.96Å; A402-Y405 PolarHBondContact O-N 3.41Å; A402-Y405 VanDerWaalsContact O-N 3.08Å; K403-Y405 VanDerWaalsContact C-N 3.35Å; K403-Y405 PolarHBondContact O-N 3.22Å; Y405-N408 PolarHBondContact O-N 3Å; Y405-G409 PolarHBondContact O-N 3.15Å; Y405-Q410 HydrophobicContact CD1-CB 3.88Å; Y405-Q410 VanDerWaalsContact CD1-OE1 3.23Å; Y405-Q410 PolarHBondContact O-N 3.48Å; Y405-D413 HydrophobicContact CD1-CB 3.4Å; Y405-D413 HydrophobicContact CE1-CB 3.64Å; Y405-D413 HydrophobicContact CG-CB 3.98Å; Y405-I417 HydrophobicContact CD2-CD1 3.06Å; Y405-I417 HydrophobicContact CE2-CD1 2.96Å; Y405-I417 HydrophobicContact CE2-CG1 4.41Å; Y405-I417 HydrophobicContact CG-CD1 3.99Å
406	E	86.1	Confident	86.8	Confident	25 Å²	25	47.4 Å²	47.4	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-50.7	171.8	-173.7	-175.5	170.7	0	0	111	A402 K403 N408 G409 L442 R445 H446	A402-E406 PolarHBondContact O-N 3.42Å; K403-E406 WeakPolarHBondContact O-CB 3.31Å; K403-E406 PolarHBondContact O-N 2.8Å; E406-N408 PolarHBondContact O-N 3.31Å; E406-G409 PolarHBondContact O-N 3.02Å; E406-L442 HydrophobicContact CB-CD1 3.81Å; E406-L442 HydrophobicContact CG-CD1 3.45Å; E406-L442 VanDerWaalsContact CG-CD1 3.45Å; E406-L442 WeakPolarHBondContact OE2-CD1 3.44Å; E406-R445 WeakPolarHBondContact OE1-CD 3.21Å; E406-R445 IonicContact OE1-CZ 2.73Å; E406-R445 IonicContact OE1-NE 3.08Å; E406-R445 IonicContact OE1-NH1 2.78Å; E406-R445 PolarHBondContact OE1-NH1 3.43Å; E406-R445 IonicContact OE2-NH1 3.52Å; E406-R445 PolarHBondContact OE2-NH1 3.27Å; E406-H446 WeakPolarHBondContact CG-NE2 3.31Å; E406-H446 IonicContact OE1-NE2 2.71Å
407	D	85.6	Confident	86.8	Confident	135 Å²	135	45.8 Å²	45.8	72%	0.722	25%	0.247	S	C	*	.	H	α-helix	trans	-62.1	-29	179.2	-68.1	-23.1	0	0	0	112.6	K403 G409	K403-D407 WeakPolarHBondContact O-CB 3.41Å; K403-D407 PolarHBondContact O-N 3.01Å; D407-G409 VanDerWaalsContact C-N 3.32Å
408	N	84.9	Confident	86.8	Confident	76 Å²	76	46 Å²	46	41%	0.406	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	3.2	175.9	-69.6	-49.4	0	0	0	113.5	F404 Y405 E406 Q410	F404-N408 WeakPolarHBondContact CE1-ND2 3.41Å; F404-N408 WeakPolarHBondContact CZ-ND2 3.4Å; F404-N408 PolarHBondContact O-N 2.91Å; F404-N408 PolarHBondContact O-ND2 3.29Å; Y405-N408 PolarHBondContact O-N 3Å; E406-N408 PolarHBondContact O-N 3.31Å; N408-Q410 VanDerWaalsContact C-N 3.26Å; N408-Q410 PolarHBondContact O-N 3.11Å
409	G	81.5	Confident	86.7	Confident	57 Å²	57	49 Å²	49	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	11.9	-179.6	0	0	0	0	0	114.9	Y405 E406 D407 L411	Y405-G409 PolarHBondContact O-N 3.15Å; E406-G409 PolarHBondContact O-N 3.02Å; D407-G409 VanDerWaalsContact C-N 3.32Å; G409-L411 PolarHBondContact O-N 3.19Å
410	Q	85.9	Confident	86.7	Confident	84 Å²	84	53.7 Å²	53.7	39%	0.393	28%	0.282	S	S	.	.			trans	-95.1	72.8	-178.9	-67	-176.6	-54.6	0	0	110.5	Y405 N408 D412 D413 A414	Y405-Q410 HydrophobicContact CD1-CB 3.88Å; Y405-Q410 VanDerWaalsContact CD1-OE1 3.23Å; Y405-Q410 PolarHBondContact O-N 3.48Å; N408-Q410 VanDerWaalsContact C-N 3.26Å; N408-Q410 PolarHBondContact O-N 3.11Å; Q410-D412 VanDerWaalsContact C-N 3.35Å; Q410-D412 PolarHBondContact O-N 3.39Å; Q410-D413 HydrophobicContact CB-CB 4.22Å; Q410-D413 PolarHBondContact O-N 2.9Å; Q410-A414 PolarHBondContact O-N 3.25Å; Q410-A414 VanDerWaalsContact O-N 3.08Å
411	L	85.8	Confident	86.7	Confident	44 Å²	44	52.6 Å²	52.6	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-38.1	-175.2	-55.9	-173	0	0	0	113.2	G409 D413 A414 R415 H446	G409-L411 PolarHBondContact O-N 3.19Å; L411-D413 VanDerWaalsContact C-N 3.33Å; L411-D413 PolarHBondContact O-N 2.71Å; L411-A414 WeakPolarHBondContact O-CB 3.39Å; L411-A414 PolarHBondContact O-N 2.82Å; L411-R415 VanDerWaalsContact O-CG 3.3Å; L411-R415 WeakPolarHBondContact O-CG 3.35Å; L411-R415 PolarHBondContact O-N 3.21Å; L411-H446 HydrophobicContact CD1-CB 4.42Å; L411-H446 VanDerWaalsContact CD2-CE1 3.44Å; L411-H446 WeakPolarHBondContact CD2-CE1 3.34Å; L411-H446 WeakPolarHBondContact CD2-NE2 3.35Å
412	D	87.6	Confident	86.4	Confident	111 Å²	111	52.7 Å²	52.7	59%	0.594	27%	0.274	S	S	*	.	H	α-helix	trans	-65.7	-39	-179.1	-63.8	-31	0	0	0	111.6	Q410 R415 V416	Q410-D412 VanDerWaalsContact C-N 3.35Å; Q410-D412 PolarHBondContact O-N 3.39Å; D412-R415 PolarHBondContact O-N 3.43Å; D412-R415 IonicContact OD1-NH1 3.42Å; D412-R415 PolarHBondContact OD1-NH1 2.63Å; D412-V416 VanDerWaalsContact O-CG2 3.29Å; D412-V416 WeakPolarHBondContact O-CG2 3.42Å; D412-V416 PolarHBondContact O-N 3.28Å
413	D	87.8	Confident	86.2	Confident	71 Å²	71	59.6 Å²	59.6	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-69.1	-40.5	175.5	-68.4	-36.7	0	0	0	111.3	Y405 Q410 L411 R415 V416 I417	Y405-D413 HydrophobicContact CD1-CB 3.4Å; Y405-D413 HydrophobicContact CE1-CB 3.64Å; Y405-D413 HydrophobicContact CG-CB 3.98Å; Q410-D413 HydrophobicContact CB-CB 4.22Å; Q410-D413 PolarHBondContact O-N 2.9Å; L411-D413 VanDerWaalsContact C-N 3.33Å; L411-D413 PolarHBondContact O-N 2.71Å; D413-R415 VanDerWaalsContact C-N 3.33Å; D413-R415 PolarHBondContact O-N 3.04Å; D413-V416 PolarHBondContact O-N 3.48Å; D413-I417 WeakPolarHBondContact O-CD1 3.42Å; D413-I417 VanDerWaalsContact O-CG1 3.32Å; D413-I417 WeakPolarHBondContact O-CG1 3.48Å; D413-I417 PolarHBondContact O-N 2.91Å
414	A	87.2	Confident	85.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.3	-44.7	173.9	0	0	0	0	0	111.5	Q410 L411 I417 L418 L442	Q410-A414 PolarHBondContact O-N 3.25Å; Q410-A414 VanDerWaalsContact O-N 3.08Å; L411-A414 WeakPolarHBondContact O-CB 3.39Å; L411-A414 PolarHBondContact O-N 2.82Å; A414-I417 PolarHBondContact O-N 3.4Å; A414-L418 WeakPolarHBondContact O-CB 3.49Å; A414-L418 WeakPolarHBondContact O-CG 3.48Å; A414-L418 PolarHBondContact O-N 3.21Å; A414-L442 HydrophobicContact CB-CD2 4Å
415	R	87	Confident	85.6	Confident	72 Å²	72	59.6 Å²	59.6	27%	0.272	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-48.3	174.4	-72.4	166.9	179.4	152	-1.5	111.6	L411 D412 D413 I417 L418 E419 E443 N448	L411-R415 VanDerWaalsContact O-CG 3.3Å; L411-R415 WeakPolarHBondContact O-CG 3.35Å; L411-R415 PolarHBondContact O-N 3.21Å; D412-R415 PolarHBondContact O-N 3.43Å; D412-R415 IonicContact OD1-NH1 3.42Å; D412-R415 PolarHBondContact OD1-NH1 2.63Å; D413-R415 VanDerWaalsContact C-N 3.33Å; D413-R415 PolarHBondContact O-N 3.04Å; R415-I417 VanDerWaalsContact C-N 3.26Å; R415-I417 PolarHBondContact O-N 3.47Å; R415-L418 PolarHBondContact O-N 3.22Å; R415-E419 WeakPolarHBondContact O-CB 3.45Å; R415-E419 WeakPolarHBondContact O-CG 3.32Å; R415-E419 PolarHBondContact O-N 3.04Å; R415-E443 IonicContact CZ-OE1 2.73Å; R415-E443 IonicContact CZ-OE2 2.87Å; R415-E443 IonicContact NE-OE1 2.81Å; R415-E443 PolarHBondContact NE-OE1 3.23Å; R415-E443 IonicContact NE-OE2 3.18Å; R415-E443 IonicContact NH2-OE1 2.69Å; R415-E443 PolarHBondContact NH2-OE1 2.89Å; R415-E443 IonicContact NH2-OE2 2.95Å; R415-E443 PolarHBondContact NH2-OE2 2.71Å; R415-N448 PolarHBondContact NH2-ND2 3.22Å; R415-N448 VanDerWaalsContact NH2-ND2 3.13Å
416	V	89.3	Confident	85.2	Confident	62 Å²	62	58.5 Å²	58.5	38%	0.376	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-37.5	178.8	169.3	0	0	0	0	111.5	D412 D413 E419 K420	D412-V416 VanDerWaalsContact O-CG2 3.29Å; D412-V416 WeakPolarHBondContact O-CG2 3.42Å; D412-V416 PolarHBondContact O-N 3.28Å; D413-V416 PolarHBondContact O-N 3.48Å; V416-E419 PolarHBondContact O-N 2.91Å; V416-K420 HydrophobicContact CG1-CD 4.25Å; V416-K420 WeakPolarHBondContact O-CB 3.48Å; V416-K420 VanDerWaalsContact O-CG 3.27Å; V416-K420 WeakPolarHBondContact O-CG 3.41Å; V416-K420 PolarHBondContact O-N 3.32Å
417	I	88.1	Confident	84.8	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-68.6	-44.1	177.9	-75	161.6	0	0	0	111.5	W398 F401 A402 Y405 D413 A414 R415 E419 K420 A421	W398-I417 HydrophobicContact CE3-CG2 3.88Å; W398-I417 HydrophobicContact CZ3-CG2 4.22Å; F401-I417 HydrophobicContact CB-CG2 4.18Å; F401-I417 HydrophobicContact CD1-CB 4.25Å; F401-I417 HydrophobicContact CD1-CD1 3.65Å; F401-I417 HydrophobicContact CD1-CG1 3.86Å; F401-I417 HydrophobicContact CD1-CG2 3.36Å; F401-I417 HydrophobicContact CD2-CD1 4.32Å; F401-I417 HydrophobicContact CE1-CD1 3.47Å; F401-I417 VanDerWaalsContact CE1-CD1 3.47Å; F401-I417 HydrophobicContact CE1-CG1 3.67Å; F401-I417 HydrophobicContact CE1-CG2 4.07Å; F401-I417 HydrophobicContact CE2-CD1 4.22Å; F401-I417 HydrophobicContact CG-CD1 4.08Å; F401-I417 HydrophobicContact CG-CG2 4Å; F401-I417 HydrophobicContact CZ-CD1 3.79Å; F401-I417 HydrophobicContact CZ-CG1 4.41Å; A402-I417 HydrophobicContact CB-CG2 4.39Å; Y405-I417 HydrophobicContact CD2-CD1 3.06Å; Y405-I417 HydrophobicContact CE2-CD1 2.96Å; Y405-I417 HydrophobicContact CE2-CG1 4.41Å; Y405-I417 HydrophobicContact CG-CD1 3.99Å; D413-I417 WeakPolarHBondContact O-CD1 3.42Å; D413-I417 VanDerWaalsContact O-CG1 3.32Å; D413-I417 WeakPolarHBondContact O-CG1 3.48Å; D413-I417 PolarHBondContact O-N 2.91Å; A414-I417 PolarHBondContact O-N 3.4Å; R415-I417 VanDerWaalsContact C-N 3.26Å; R415-I417 PolarHBondContact O-N 3.47Å; I417-E419 VanDerWaalsContact C-N 3.34Å; I417-K420 WeakPolarHBondContact O-CB 3.33Å; I417-K420 PolarHBondContact O-N 3.17Å; I417-A421 WeakPolarHBondContact O-CB 3.25Å; I417-A421 PolarHBondContact O-N 3.21Å
418	L	86	Confident	84.4	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-40.1	175.2	-72.9	173.4	0	0	0	111.5	A402 A414 R415 K420 A421 T422 V435 C439 L442	A402-L418 HydrophobicContact CB-CD1 4.01Å; A402-L418 HydrophobicContact CB-CD2 3.61Å; A402-L418 HydrophobicContact CB-CG 3.6Å; A414-L418 WeakPolarHBondContact O-CB 3.49Å; A414-L418 WeakPolarHBondContact O-CG 3.48Å; A414-L418 PolarHBondContact O-N 3.21Å; R415-L418 PolarHBondContact O-N 3.22Å; L418-K420 VanDerWaalsContact C-N 3.31Å; L418-K420 PolarHBondContact O-N 2.85Å; L418-A421 WeakPolarHBondContact O-CB 3.48Å; L418-A421 PolarHBondContact O-N 3.01Å; L418-A421 VanDerWaalsContact O-N 3.14Å; L418-T422 WeakPolarHBondContact O-CG2 3.48Å; L418-T422 PolarHBondContact O-N 3.16Å; L418-V435 HydrophobicContact CD2-CG1 4.25Å; L418-C439 VanDerWaalsContact CB-SG 3.6Å; L418-C439 HydrophobicContact CD1-CB 4.26Å; L418-L442 HydrophobicContact CD1-CB 4.39Å; L418-L442 HydrophobicContact CD1-CD2 3.45Å; L418-L442 VanDerWaalsContact CD1-CD2 3.45Å
419	E	87.5	Confident	84.2	Confident	87 Å²	87	59.3 Å²	59.3	41%	0.407	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-39.5	172.2	-75.1	-163.8	154	0	0	112.1	R415 V416 I417 T422 K423	R415-E419 WeakPolarHBondContact O-CB 3.45Å; R415-E419 WeakPolarHBondContact O-CG 3.32Å; R415-E419 PolarHBondContact O-N 3.04Å; V416-E419 PolarHBondContact O-N 2.91Å; I417-E419 VanDerWaalsContact C-N 3.34Å; E419-T422 PolarHBondContact O-N 3.42Å; E419-T422 PolarHBondContact O-OG1 3.31Å; E419-K423 PolarHBondContact O-N 3.34Å
420	K	88.3	Confident	84.2	Confident	115 Å²	115	59.2 Å²	59.2	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-43.4	172.4	-74.6	169.4	-176.8	173.2	0	111	W398 V416 I417 L418 T422 K423 V424	W398-K420 HydrophobicContact CH2-CB 3.97Å; W398-K420 HydrophobicContact CZ3-CB 3.8Å; V416-K420 HydrophobicContact CG1-CD 4.25Å; V416-K420 WeakPolarHBondContact O-CB 3.48Å; V416-K420 VanDerWaalsContact O-CG 3.27Å; V416-K420 WeakPolarHBondContact O-CG 3.41Å; V416-K420 PolarHBondContact O-N 3.32Å; I417-K420 WeakPolarHBondContact O-CB 3.33Å; I417-K420 PolarHBondContact O-N 3.17Å; L418-K420 VanDerWaalsContact C-N 3.31Å; L418-K420 PolarHBondContact O-N 2.85Å; K420-T422 VanDerWaalsContact C-N 3.3Å; K420-T422 PolarHBondContact O-N 2.69Å; K420-K423 WeakPolarHBondContact O-CB 3.46Å; K420-K423 PolarHBondContact O-N 3Å; K420-K423 VanDerWaalsContact O-N 3.07Å; K420-V424 PolarHBondContact O-N 2.86Å
421	A	86.4	Confident	84	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-40.6	177.2	0	0	0	0	0	111.9	W398 I417 L418 K423 V424 F426 V435	W398-A421 HydrophobicContact CB-CB 3.69Å; W398-A421 HydrophobicContact CD2-CB 3.47Å; W398-A421 VanDerWaalsContact CD2-CB 3.47Å; W398-A421 HydrophobicContact CE3-CB 3.53Å; W398-A421 HydrophobicContact CG-CB 3.57Å; W398-A421 HydrophobicContact CZ3-CB 4.25Å; I417-A421 WeakPolarHBondContact O-CB 3.25Å; I417-A421 PolarHBondContact O-N 3.21Å; L418-A421 WeakPolarHBondContact O-CB 3.48Å; L418-A421 PolarHBondContact O-N 3.01Å; L418-A421 VanDerWaalsContact O-N 3.14Å; A421-K423 PolarHBondContact O-N 3.34Å; A421-V424 WeakPolarHBondContact O-CB 3.42Å; A421-V424 PolarHBondContact O-N 2.99Å; A421-V424 VanDerWaalsContact O-N 3.13Å; A421-F426 WeakPolarHBondContact O-CE2 3.38Å; A421-V435 HydrophobicContact CB-CG1 3.65Å; A421-V435 HydrophobicContact CB-CG2 4.35Å
422	T	81.7	Confident	83.9	Confident	16 Å²	16	53.5 Å²	53.5	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-24.2	178.1	63.2	0	0	0	0	113.4	L418 E419 K420 L432 V435 W436 Q477	L418-T422 WeakPolarHBondContact O-CG2 3.48Å; L418-T422 PolarHBondContact O-N 3.16Å; E419-T422 PolarHBondContact O-N 3.42Å; E419-T422 PolarHBondContact O-OG1 3.31Å; K420-T422 VanDerWaalsContact C-N 3.3Å; K420-T422 PolarHBondContact O-N 2.69Å; T422-L432 HydrophobicContact CG2-CD1 4.41Å; T422-V435 HydrophobicContact CG2-CG1 4.08Å; T422-W436 HydrophobicContact CG2-CD2 3.86Å; T422-W436 VanDerWaalsContact CG2-CE2 3.47Å; T422-W436 HydrophobicContact CG2-CE3 4.26Å; T422-W436 HydrophobicContact CG2-CG 4.47Å; T422-W436 HydrophobicContact CG2-CH2 4.01Å; T422-W436 HydrophobicContact CG2-CZ2 3.57Å; T422-W436 HydrophobicContact CG2-CZ3 4.34Å; T422-Q477 WeakPolarHBondContact O-CG 3.39Å; T422-Q477 PolarHBondContact O-NE2 3.12Å
423	K	82.7	Confident	83.8	Confident	149 Å²	149	48.2 Å²	48.2	65%	0.648	23%	0.231	S	C	*	.	H	α-helix	trans	-81.7	-13.4	177.1	-67.4	174.1	-173.5	172.1	0	113.5	E419 K420 A421 Q477	E419-K423 PolarHBondContact O-N 3.34Å; K420-K423 WeakPolarHBondContact O-CB 3.46Å; K420-K423 PolarHBondContact O-N 3Å; K420-K423 VanDerWaalsContact O-N 3.07Å; A421-K423 PolarHBondContact O-N 3.34Å; K423-Q477 PolarHBondContact O-NE2 3.48Å
424	V	79.7	Confident	83.7	Confident	34 Å²	34	46.1 Å²	46.1	21%	0.206	22%	0.222	C	C	.	.	S	Bend	trans	-77	134.5	-179.6	-179.7	0	0	0	0	110.7	P387 W398 K420 A421 F426	P387-V424 HydrophobicContact CG-CG1 3.56Å; W398-V424 HydrophobicContact CH2-CG2 4.27Å; W398-V424 HydrophobicContact CZ2-CG2 3.51Å; K420-V424 PolarHBondContact O-N 2.86Å; A421-V424 WeakPolarHBondContact O-CB 3.42Å; A421-V424 PolarHBondContact O-N 2.99Å; A421-V424 VanDerWaalsContact O-N 3.13Å; V424-F426 HydrophobicContact CB-CE2 4.13Å; V424-F426 HydrophobicContact CB-CZ 4.1Å; V424-F426 HydrophobicContact CG1-CE1 4.23Å; V424-F426 HydrophobicContact CG1-CZ 4.25Å; V424-F426 WeakPolarHBondContact O-CD2 3.29Å; V424-F426 PolarHBondContact O-N 2.92Å; V424-F426 VanDerWaalsContact O-N 3.15Å
425	N	80.9	Confident	83.7	Confident	74 Å²	74	46.1 Å²	46.1	40%	0.396	22%	0.222	S	C	.	.			trans	-80	93.9	173.6	-70.2	-20.6	0	0	0	109.8	P387	P387-N425 WeakPolarHBondContact CB-O 3.46Å
426	F	79.5	Confident	83.8	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	21%	0.213	C	C	.	.			trans	-71.8	165.2	171.1	-63.5	-73.7	0	0	0	111.8	P387 P394 W398 A421 V424 D431 L432 V435 V476	P387-F426 HydrophobicContact CB-CD1 4.29Å; P394-F426 HydrophobicContact CB-CD1 4.05Å; P394-F426 HydrophobicContact CB-CE1 3.97Å; W398-F426 AromaticContact CD1-CZ 3.8Å; A421-F426 WeakPolarHBondContact O-CE2 3.38Å; V424-F426 HydrophobicContact CB-CE2 4.13Å; V424-F426 HydrophobicContact CB-CZ 4.1Å; V424-F426 HydrophobicContact CG1-CE1 4.23Å; V424-F426 HydrophobicContact CG1-CZ 4.25Å; V424-F426 WeakPolarHBondContact O-CD2 3.29Å; V424-F426 PolarHBondContact O-N 2.92Å; V424-F426 VanDerWaalsContact O-N 3.15Å; F426-D431 HydrophobicContact CB-CB 3.82Å; F426-D431 HydrophobicContact CD1-CB 3.95Å; F426-D431 HydrophobicContact CD2-CB 4.3Å; F426-D431 HydrophobicContact CG-CB 3.75Å; F426-L432 HydrophobicContact CD2-CB 3.92Å; F426-L432 HydrophobicContact CD2-CD1 4.28Å; F426-L432 HydrophobicContact CE2-CB 4.5Å; F426-L432 HydrophobicContact CE2-CD1 4.17Å; F426-V435 HydrophobicContact CE2-CG2 4.21Å; F426-V435 HydrophobicContact CZ-CG2 4.22Å; F426-V476 WeakPolarHBondContact O-CG2 3.44Å
427	K	76.6	Confident	83.6	Confident	136 Å²	136	41.7 Å²	41.7	59%	0.591	20%	0.201	S	C	*	.	S	Bend	trans	-76.2	-39.3	172.5	-177.4	178.8	178.5	178.4	0	111.9	F388	F388-K427 HydrophobicContact CD1-CB 4.44Å
428	Q	78.4	Confident	83.4	Confident	110 Å²	110	43 Å²	43	51%	0.514	21%	0.207	S	C	.	.	S	Bend	trans	-111.6	143.2	-176	-63.7	-176.6	-18.1	0	0	111.1	D430 D431	Q428-D430 PolarHBondContact O-N 3.32Å; Q428-D431 PolarHBondContact O-N 3.27Å
429	V	79.7	Confident	83.4	Confident	7 Å²	7	43 Å²	43	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-31.7	173.6	-168.7	0	0	0	0	111.5	D431 L432 A433 Y469 V476 R479	V429-D431 VanDerWaalsContact C-N 3.27Å; V429-D431 PolarHBondContact O-N 2.96Å; V429-L432 PolarHBondContact O-N 3.38Å; V429-A433 WeakPolarHBondContact O-CB 3.38Å; V429-A433 PolarHBondContact O-N 2.75Å; V429-Y469 HydrophobicContact CB-CD2 4.4Å; V429-Y469 HydrophobicContact CB-CE2 3.63Å; V429-Y469 HydrophobicContact CG1-CD2 4.35Å; V429-Y469 HydrophobicContact CG1-CE2 3.63Å; V429-Y469 HydrophobicContact CG2-CD2 4.08Å; V429-Y469 HydrophobicContact CG2-CE2 3.78Å; V429-V476 VanDerWaalsContact CA-CG1 3.42Å; V429-V476 HydrophobicContact CB-CG1 4.03Å; V429-V476 HydrophobicContact CG1-CG1 4.18Å; V429-V476 HydrophobicContact CG2-CG1 3.98Å; V429-R479 HydrophobicContact CG1-CB 4.26Å; V429-R479 HydrophobicContact CG2-CB 3.75Å
430	D	82.4	Confident	83.2	Confident	55 Å²	55	38.8 Å²	38.8	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-59.9	-33.8	176.1	-80.7	-55.6	0	0	0	113.6	Q428 S434 K485	Q428-D430 PolarHBondContact O-N 3.32Å; D430-S434 WeakPolarHBondContact O-CB 3.42Å; D430-S434 PolarHBondContact O-N 3.49Å; D430-S434 PolarHBondContact O-OG 3.39Å; D430-K485 IonicContact OD1-NZ 3.24Å; D430-K485 PolarHBondContact OD1-NZ 2.91Å
431	D	81.8	Confident	83.1	Confident	9 Å²	9	36.6 Å²	36.6	5%	0.048	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-48.9	177.9	-68.1	-40.3	0	0	0	110.2	H395 F426 Q428 V429 S434 V435	H395-D431 HydrophobicContact CB-CB 4.12Å; H395-D431 WeakPolarHBondContact CB-O 3.46Å; H395-D431 IonicContact CE1-OD1 3.71Å; H395-D431 PolarHBondContact CE1-OD1 3.08Å; H395-D431 VanDerWaalsContact CE1-OD1 3.31Å; H395-D431 IonicContact CG-OD1 3.95Å; H395-D431 IonicContact ND1-OD1 2.63Å; H395-D431 PolarHBondContact ND1-OD1 3.2Å; F426-D431 HydrophobicContact CB-CB 3.82Å; F426-D431 HydrophobicContact CD1-CB 3.95Å; F426-D431 HydrophobicContact CD2-CB 4.3Å; F426-D431 HydrophobicContact CG-CB 3.75Å; Q428-D431 PolarHBondContact O-N 3.27Å; V429-D431 VanDerWaalsContact C-N 3.27Å; V429-D431 PolarHBondContact O-N 2.96Å; D431-S434 PolarHBondContact O-N 2.95Å; D431-V435 WeakPolarHBondContact O-CG2 3.39Å; D431-V435 PolarHBondContact O-N 3.3Å; D431-V435 VanDerWaalsContact O-N 3.07Å
432	L	84.5	Confident	83.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-40.5	178.8	-174.6	50.6	0	0	0	111.7	T422 F426 V429 S434 V435 W436 V476 Q477 V480	T422-L432 HydrophobicContact CG2-CD1 4.41Å; F426-L432 HydrophobicContact CD2-CB 3.92Å; F426-L432 HydrophobicContact CD2-CD1 4.28Å; F426-L432 HydrophobicContact CE2-CB 4.5Å; F426-L432 HydrophobicContact CE2-CD1 4.17Å; V429-L432 PolarHBondContact O-N 3.38Å; L432-S434 VanDerWaalsContact C-N 3.3Å; L432-S434 PolarHBondContact O-N 3.49Å; L432-V435 WeakPolarHBondContact O-CB 3.43Å; L432-V435 PolarHBondContact O-N 2.87Å; L432-W436 PolarHBondContact O-N 3.33Å; L432-V476 HydrophobicContact CB-CG1 3.89Å; L432-V476 HydrophobicContact CD2-CB 4.27Å; L432-V476 HydrophobicContact CD2-CG1 3.9Å; L432-Q477 HydrophobicContact CD2-CB 4.39Å; L432-Q477 HydrophobicContact CD2-CG 3.82Å; L432-V480 HydrophobicContact CB-CG2 4.21Å; L432-V480 HydrophobicContact CD2-CG2 3.22Å; L432-V480 HydrophobicContact CG-CG2 3.54Å
433	A	84.5	Confident	83.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.7	-42.3	174.2	0	0	0	0	0	111.7	V429 V435 W436 C437 S483 V486	V429-A433 WeakPolarHBondContact O-CB 3.38Å; V429-A433 PolarHBondContact O-N 2.75Å; A433-V435 PolarHBondContact O-N 3.44Å; A433-W436 PolarHBondContact O-N 2.97Å; A433-C437 PolarHBondContact O-N 3.41Å; A433-C437 PolarHBondContact O-SG 3.31Å; A433-S483 WeakPolarHBondContact CB-OG 3.33Å; A433-V486 HydrophobicContact CB-CG2 3.73Å
434	S	86.7	Confident	83.4	Confident	27 Å²	27	31.2 Å²	31.2	19%	0.189	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-36.8	177.1	-55.5	0	0	0	0	112	D430 D431 L432 C437 Q438	D430-S434 WeakPolarHBondContact O-CB 3.42Å; D430-S434 PolarHBondContact O-N 3.49Å; D430-S434 PolarHBondContact O-OG 3.39Å; D431-S434 PolarHBondContact O-N 2.95Å; L432-S434 VanDerWaalsContact C-N 3.3Å; L432-S434 PolarHBondContact O-N 3.49Å; S434-C437 PolarHBondContact O-N 3.19Å; S434-Q438 WeakPolarHBondContact O-CB 3.45Å; S434-Q438 VanDerWaalsContact O-CG 3.22Å; S434-Q438 WeakPolarHBondContact O-CG 3.31Å; S434-Q438 PolarHBondContact O-N 2.95Å
435	V	86.7	Confident	83.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-49.1	171.6	174.7	0	0	0	0	110.2	H395 L418 A421 T422 F426 D431 L432 A433 C437 Q438 C439	H395-V435 HydrophobicContact CB-CG2 3.73Å; L418-V435 HydrophobicContact CD2-CG1 4.25Å; A421-V435 HydrophobicContact CB-CG1 3.65Å; A421-V435 HydrophobicContact CB-CG2 4.35Å; T422-V435 HydrophobicContact CG2-CG1 4.08Å; F426-V435 HydrophobicContact CE2-CG2 4.21Å; F426-V435 HydrophobicContact CZ-CG2 4.22Å; D431-V435 WeakPolarHBondContact O-CG2 3.39Å; D431-V435 PolarHBondContact O-N 3.3Å; D431-V435 VanDerWaalsContact O-N 3.07Å; L432-V435 WeakPolarHBondContact O-CB 3.43Å; L432-V435 PolarHBondContact O-N 2.87Å; A433-V435 PolarHBondContact O-N 3.44Å; V435-C437 PolarHBondContact O-N 3.03Å; V435-Q438 CarbonylContact O-C 3.28Å; V435-Q438 PolarHBondContact O-N 3.41Å; V435-Q438 VanDerWaalsContact O-N 3.15Å; V435-C439 PolarHBondContact O-N 3.47Å; V435-C439 PolarHBondContact O-SG 3.33Å
436	W	88	Confident	83.8	Confident	24 Å²	24	34 Å²	34	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-41.9	178.2	-78.4	111.5	0	0	0	113.5	T422 L432 A433 Q438 C439 G440 L455 K458 A459 V486	T422-W436 HydrophobicContact CG2-CD2 3.86Å; T422-W436 VanDerWaalsContact CG2-CE2 3.47Å; T422-W436 HydrophobicContact CG2-CE3 4.26Å; T422-W436 HydrophobicContact CG2-CG 4.47Å; T422-W436 HydrophobicContact CG2-CH2 4.01Å; T422-W436 HydrophobicContact CG2-CZ2 3.57Å; T422-W436 HydrophobicContact CG2-CZ3 4.34Å; L432-W436 PolarHBondContact O-N 3.33Å; A433-W436 PolarHBondContact O-N 2.97Å; W436-Q438 VanDerWaalsContact C-N 3.27Å; W436-Q438 PolarHBondContact O-N 2.87Å; W436-C439 WeakPolarHBondContact O-CB 3.48Å; W436-C439 PolarHBondContact O-N 2.86Å; W436-G440 PolarHBondContact O-N 3.37Å; W436-L455 HydrophobicContact CZ3-CB 4.38Å; W436-L455 HydrophobicContact CZ3-CD2 4.38Å; W436-L455 VanDerWaalsContact CZ3-O 3.3Å; W436-L455 WeakPolarHBondContact CZ3-O 3.34Å; W436-K458 HydrophobicContact CH2-CD 4.14Å; W436-K458 HydrophobicContact CH2-CG 4.2Å; W436-A459 HydrophobicContact CB-CB 4.2Å; W436-A459 HydrophobicContact CD2-CB 3.39Å; W436-A459 HydrophobicContact CE3-CB 3.64Å; W436-A459 HydrophobicContact CG-CB 3.66Å; W436-A459 HydrophobicContact CH2-CB 4.4Å; W436-A459 HydrophobicContact CZ2-CB 4.21Å; W436-A459 HydrophobicContact CZ3-CB 4.13Å; W436-V486 HydrophobicContact CB-CG2 4.35Å
437	C	86.1	Confident	84	Confident	16 Å²	16	40.8 Å²	40.8	11%	0.108	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-40.7	173.9	-68.7	0	0	0	0	110.9	A433 S434 V435 G440 E441 M489	A433-C437 PolarHBondContact O-N 3.41Å; A433-C437 PolarHBondContact O-SG 3.31Å; S434-C437 PolarHBondContact O-N 3.19Å; V435-C437 PolarHBondContact O-N 3.03Å; C437-G440 PolarHBondContact O-N 3.05Å; C437-E441 WeakPolarHBondContact O-CG 3.47Å; C437-E441 PolarHBondContact O-N 2.84Å; C437-M489 HydrophobicContact CB-SD 3.91Å; C437-M489 WeakPolarHBondContact O-CE 3.32Å
438	Q	84.2	Confident	84.4	Confident	35 Å²	35	37.1 Å²	37.1	16%	0.164	18%	0.179	C	C	.	.	H	α-helix	trans	-70.1	-32.2	175.9	-68.4	-68.6	-49.2	0	0	112.7	V399 K403 S434 V435 W436 G440 E441 L442	V399-Q438 HydrophobicContact CB-CG 4.37Å; V399-Q438 HydrophobicContact CG1-CB 4.17Å; V399-Q438 HydrophobicContact CG1-CG 3.7Å; V399-Q438 HydrophobicContact CG2-CB 3.88Å; V399-Q438 HydrophobicContact CG2-CG 3.67Å; K403-Q438 VanDerWaalsContact CE-OE1 3.23Å; S434-Q438 WeakPolarHBondContact O-CB 3.45Å; S434-Q438 VanDerWaalsContact O-CG 3.22Å; S434-Q438 WeakPolarHBondContact O-CG 3.31Å; S434-Q438 PolarHBondContact O-N 2.95Å; V435-Q438 CarbonylContact O-C 3.28Å; V435-Q438 PolarHBondContact O-N 3.41Å; V435-Q438 VanDerWaalsContact O-N 3.15Å; W436-Q438 VanDerWaalsContact C-N 3.27Å; W436-Q438 PolarHBondContact O-N 2.87Å; Q438-G440 VanDerWaalsContact C-N 3.34Å; Q438-E441 PolarHBondContact NE2-OE1 3.26Å; Q438-E441 VanDerWaalsContact NE2-OE1 3.09Å; Q438-E441 PolarHBondContact NE2-OE2 2.9Å; Q438-E441 PolarHBondContact O-N 3.33Å; Q438-E441 PolarHBondContact OE1-OE2 3.41Å; Q438-L442 WeakPolarHBondContact O-CB 3.39Å; Q438-L442 PolarHBondContact O-N 2.92Å
439	C	85.5	Confident	84.7	Confident	6 Å²	6	36.7 Å²	36.7	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-44.8	168.1	-55.4	0	0	0	0	111.4	L418 V435 W436 L442 E443 L455	L418-C439 VanDerWaalsContact CB-SG 3.6Å; L418-C439 HydrophobicContact CD1-CB 4.26Å; V435-C439 PolarHBondContact O-N 3.47Å; V435-C439 PolarHBondContact O-SG 3.33Å; W436-C439 WeakPolarHBondContact O-CB 3.48Å; W436-C439 PolarHBondContact O-N 2.86Å; C439-L442 PolarHBondContact O-N 2.83Å; C439-E443 PolarHBondContact O-N 2.82Å; C439-L455 HydrophobicContact CB-CD1 4.32Å
440	G	83.9	Confident	85	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-50.8	174	0	0	0	0	0	110.5	W436 C437 Q438 L442 E443 L444 M489	W436-G440 PolarHBondContact O-N 3.37Å; C437-G440 PolarHBondContact O-N 3.05Å; Q438-G440 VanDerWaalsContact C-N 3.34Å; G440-L442 VanDerWaalsContact C-N 3.32Å; G440-L442 PolarHBondContact O-N 2.91Å; G440-E443 PolarHBondContact O-N 2.77Å; G440-L444 VanDerWaalsContact O-CG 3.23Å; G440-L444 WeakPolarHBondContact O-CG 3.36Å; G440-L444 PolarHBondContact O-N 3.48Å; G440-M489 VanDerWaalsContact C-CE 3.49Å
441	E	85	Confident	85	Confident	68 Å²	68	43.2 Å²	43.2	32%	0.318	21%	0.205	S	C	.	.	H	α-helix	trans	-62.8	-38.2	-178.1	-74.6	176.6	-152	0	0	112.2	C437 Q438 L444 R445 M489	C437-E441 WeakPolarHBondContact O-CG 3.47Å; C437-E441 PolarHBondContact O-N 2.84Å; Q438-E441 PolarHBondContact NE2-OE1 3.26Å; Q438-E441 VanDerWaalsContact NE2-OE1 3.09Å; Q438-E441 PolarHBondContact NE2-OE2 2.9Å; Q438-E441 PolarHBondContact O-N 3.33Å; Q438-E441 PolarHBondContact OE1-OE2 3.41Å; E441-L444 PolarHBondContact O-N 2.72Å; E441-R445 VanDerWaalsContact O-CG 3.28Å; E441-R445 WeakPolarHBondContact O-CG 3.38Å; E441-R445 PolarHBondContact O-N 2.76Å; E441-R445 IonicContact OE2-NH2 2.72Å; E441-R445 PolarHBondContact OE2-NH2 3.3Å; E441-M489 HydrophobicContact CB-CE 4.45Å; E441-M489 HydrophobicContact CG-CE 3.82Å
442	L	85.8	Confident	85.2	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-57.2	-52.3	175.4	178.1	71.4	0	0	0	110.3	E406 A414 L418 Q438 C439 G440 L444 R445 H446	E406-L442 HydrophobicContact CB-CD1 3.81Å; E406-L442 HydrophobicContact CG-CD1 3.45Å; E406-L442 VanDerWaalsContact CG-CD1 3.45Å; E406-L442 WeakPolarHBondContact OE2-CD1 3.44Å; A414-L442 HydrophobicContact CB-CD2 4Å; L418-L442 HydrophobicContact CD1-CB 4.39Å; L418-L442 HydrophobicContact CD1-CD2 3.45Å; L418-L442 VanDerWaalsContact CD1-CD2 3.45Å; Q438-L442 WeakPolarHBondContact O-CB 3.39Å; Q438-L442 PolarHBondContact O-N 2.92Å; C439-L442 PolarHBondContact O-N 2.83Å; G440-L442 VanDerWaalsContact C-N 3.32Å; G440-L442 PolarHBondContact O-N 2.91Å; L442-L444 VanDerWaalsContact C-N 3.31Å; L442-L444 PolarHBondContact O-N 3.07Å; L442-R445 PolarHBondContact O-N 3.16Å; L442-H446 PolarHBondContact O-CD2 3.31Å; L442-H446 PolarHBondContact O-N 2.95Å
443	E	84.9	Confident	85.1	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-31.7	179.9	-65.5	-60.2	166.8	0	0	112.2	R415 C439 G440 H446 E447 N448 E451 A452 L455	R415-E443 IonicContact CZ-OE1 2.73Å; R415-E443 IonicContact CZ-OE2 2.87Å; R415-E443 IonicContact NE-OE1 2.81Å; R415-E443 PolarHBondContact NE-OE1 3.23Å; R415-E443 IonicContact NE-OE2 3.18Å; R415-E443 IonicContact NH2-OE1 2.69Å; R415-E443 PolarHBondContact NH2-OE1 2.89Å; R415-E443 IonicContact NH2-OE2 2.95Å; R415-E443 PolarHBondContact NH2-OE2 2.71Å; C439-E443 PolarHBondContact O-N 2.82Å; G440-E443 PolarHBondContact O-N 2.77Å; E443-H446 CarbonylContact O-C 3.59Å; E443-H446 PolarHBondContact O-N 3.48Å; E443-E447 PolarHBondContact O-N 2.83Å; E443-N448 HydrophobicContact CB-CB 4.25Å; E443-N448 PolarHBondContact O-N 2.92Å; E443-N448 VanDerWaalsContact OE2-CB 3.23Å; E443-N448 WeakPolarHBondContact OE2-CB 3.49Å; E443-N448 PolarHBondContact OE2-ND2 3.36Å; E443-E451 HydrophobicContact CG-CB 4.35Å; E443-A452 HydrophobicContact CB-CB 3.76Å; E443-L455 HydrophobicContact CG-CD1 3.69Å
444	L	86.1	Confident	85.2	Confident	43 Å²	43	48.7 Å²	48.7	23%	0.225	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-40	173.7	-66.8	174.2	0	0	0	113	G440 E441 L442 H446 E447 Y449 A452 M489 L493	G440-L444 VanDerWaalsContact O-CG 3.23Å; G440-L444 WeakPolarHBondContact O-CG 3.36Å; G440-L444 PolarHBondContact O-N 3.48Å; E441-L444 PolarHBondContact O-N 2.72Å; L442-L444 VanDerWaalsContact C-N 3.31Å; L442-L444 PolarHBondContact O-N 3.07Å; L444-H446 PolarHBondContact O-N 2.82Å; L444-E447 PolarHBondContact O-N 2.85Å; L444-Y449 HydrophobicContact CD2-CD1 3.73Å; L444-Y449 HydrophobicContact CD2-CE1 4.11Å; L444-A452 HydrophobicContact CD2-CB 3.95Å; L444-A452 HydrophobicContact CG-CB 4.25Å; L444-M489 HydrophobicContact CD1-CE 3.54Å; L444-L493 HydrophobicContact CD1-CD1 4.05Å; L444-L493 HydrophobicContact CD1-CD2 3.64Å; L444-L493 HydrophobicContact CD1-CG 4.28Å; L444-L493 HydrophobicContact CD2-CD1 4.08Å; L444-L493 HydrophobicContact CD2-CD2 3.25Å; L444-L493 HydrophobicContact CD2-CG 4.28Å; L444-L493 HydrophobicContact CG-CD1 4.37Å; L444-L493 HydrophobicContact CG-CD2 4.01Å
445	R	85.6	Confident	85	Confident	104 Å²	104	49 Å²	49	39%	0.392	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-28.5	176.3	-71.2	174.1	-150.1	145.1	12.3	112	E406 E441 L442	E406-R445 WeakPolarHBondContact OE1-CD 3.21Å; E406-R445 IonicContact OE1-CZ 2.73Å; E406-R445 IonicContact OE1-NE 3.08Å; E406-R445 IonicContact OE1-NH1 2.78Å; E406-R445 PolarHBondContact OE1-NH1 3.43Å; E406-R445 IonicContact OE2-NH1 3.52Å; E406-R445 PolarHBondContact OE2-NH1 3.27Å; E441-R445 VanDerWaalsContact O-CG 3.28Å; E441-R445 WeakPolarHBondContact O-CG 3.38Å; E441-R445 PolarHBondContact O-N 2.76Å; E441-R445 IonicContact OE2-NH2 2.72Å; E441-R445 PolarHBondContact OE2-NH2 3.3Å; L442-R445 PolarHBondContact O-N 3.16Å
446	H	84.7	Confident	84.8	Confident	62 Å²	62	49 Å²	49	29%	0.287	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	13.9	176.2	-68.1	-60.7	0	0	0	114.2	E406 L411 L442 E443 L444 N448	E406-H446 WeakPolarHBondContact CG-NE2 3.31Å; E406-H446 IonicContact OE1-NE2 2.71Å; L411-H446 HydrophobicContact CD1-CB 4.42Å; L411-H446 VanDerWaalsContact CD2-CE1 3.44Å; L411-H446 WeakPolarHBondContact CD2-CE1 3.34Å; L411-H446 WeakPolarHBondContact CD2-NE2 3.35Å; L442-H446 PolarHBondContact O-CD2 3.31Å; L442-H446 PolarHBondContact O-N 2.95Å; E443-H446 CarbonylContact O-C 3.59Å; E443-H446 PolarHBondContact O-N 3.48Å; L444-H446 PolarHBondContact O-N 2.82Å; H446-N448 PolarHBondContact O-N 3.35Å
447	E	83.7	Confident	84.7	Confident	145 Å²	145	53.2 Å²	53.2	68%	0.678	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	14.5	178.4	-53.7	179.5	170.5	0	0	114.4	E443 L444 Y449	E443-E447 PolarHBondContact O-N 2.83Å; L444-E447 PolarHBondContact O-N 2.85Å; E447-Y449 HydrophobicContact CB-CE2 4.1Å; E447-Y449 VanDerWaalsContact O-CD2 3.25Å; E447-Y449 WeakPolarHBondContact O-CD2 3.49Å; E447-Y449 PolarHBondContact O-N 3.17Å
448	N	85.4	Confident	84.5	Confident	58 Å²	58	58.4 Å²	58.4	31%	0.31	27%	0.265	S	S	.	.			trans	-86.6	61.9	177.1	-65.2	-36.2	0	0	0	110.5	R415 E443 H446 D450 E451 A452	R415-N448 PolarHBondContact NH2-ND2 3.22Å; R415-N448 VanDerWaalsContact NH2-ND2 3.13Å; E443-N448 HydrophobicContact CB-CB 4.25Å; E443-N448 PolarHBondContact O-N 2.92Å; E443-N448 VanDerWaalsContact OE2-CB 3.23Å; E443-N448 WeakPolarHBondContact OE2-CB 3.49Å; E443-N448 PolarHBondContact OE2-ND2 3.36Å; H446-N448 PolarHBondContact O-N 3.35Å; N448-D450 VanDerWaalsContact C-N 3.31Å; N448-D450 PolarHBondContact O-N 2.98Å; N448-E451 HydrophobicContact CB-CB 4.25Å; N448-E451 PolarHBondContact O-N 3.2Å; N448-E451 VanDerWaalsContact O-N 3.17Å; N448-A452 PolarHBondContact O-N 2.9Å
449	Y	84.7	Confident	84.3	Confident	101 Å²	101	57.1 Å²	57.1	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-56.5	-40.8	-175.8	-61	-58.3	0	0	0	113.6	L444 E447 E451 A452 L453 L497	L444-Y449 HydrophobicContact CD2-CD1 3.73Å; L444-Y449 HydrophobicContact CD2-CE1 4.11Å; E447-Y449 HydrophobicContact CB-CE2 4.1Å; E447-Y449 VanDerWaalsContact O-CD2 3.25Å; E447-Y449 WeakPolarHBondContact O-CD2 3.49Å; E447-Y449 PolarHBondContact O-N 3.17Å; Y449-E451 PolarHBondContact O-N 3.08Å; Y449-A452 WeakPolarHBondContact O-CB 3.42Å; Y449-A452 PolarHBondContact O-N 3.23Å; Y449-L453 WeakPolarHBondContact O-CG 3.39Å; Y449-L453 PolarHBondContact O-N 3.26Å; Y449-L497 HydrophobicContact CD1-CD1 3.82Å; Y449-L497 HydrophobicContact CD1-CD2 3.93Å; Y449-L497 HydrophobicContact CD1-CG 4.44Å; Y449-L497 HydrophobicContact CD2-CD2 4.04Å; Y449-L497 HydrophobicContact CG-CD1 3.96Å; Y449-L497 HydrophobicContact CG-CD2 3.61Å; Y449-L497 HydrophobicContact CG-CG 4.41Å
450	D	84.9	Confident	83.8	Confident	120 Å²	120	57 Å²	57	64%	0.642	26%	0.26	S	S	*	.	H	α-helix	trans	-65.4	-39.3	179.2	-73.3	-32.2	0	0	0	112.4	N448 K454	N448-D450 VanDerWaalsContact C-N 3.31Å; N448-D450 PolarHBondContact O-N 2.98Å; D450-K454 VanDerWaalsContact O-CG 3.26Å; D450-K454 WeakPolarHBondContact O-CG 3.4Å; D450-K454 PolarHBondContact O-N 2.99Å
451	E	83.3	Confident	83.4	Confident	80 Å²	80	59.8 Å²	59.8	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-72.2	-38.4	176.5	-66.2	-55.7	139.6	0	0	110.9	E443 N448 Y449 L453 K454 L455	E443-E451 HydrophobicContact CG-CB 4.35Å; N448-E451 HydrophobicContact CB-CB 4.25Å; N448-E451 PolarHBondContact O-N 3.2Å; N448-E451 VanDerWaalsContact O-N 3.17Å; Y449-E451 PolarHBondContact O-N 3.08Å; E451-L453 VanDerWaalsContact C-N 3.32Å; E451-L453 PolarHBondContact O-N 3.43Å; E451-K454 PolarHBondContact O-N 3.1Å; E451-K454 IonicContact OE1-NZ 3.07Å; E451-K454 PolarHBondContact OE1-NZ 2.94Å; E451-L455 WeakPolarHBondContact O-CB 3.38Å; E451-L455 VanDerWaalsContact O-CG 3.29Å; E451-L455 WeakPolarHBondContact O-CG 3.32Å; E451-L455 PolarHBondContact O-N 2.87Å
452	A	85.2	Confident	82.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-46.8	172.3	0	0	0	0	0	111.3	E443 L444 N448 Y449 L455 L456	E443-A452 HydrophobicContact CB-CB 3.76Å; L444-A452 HydrophobicContact CD2-CB 3.95Å; L444-A452 HydrophobicContact CG-CB 4.25Å; N448-A452 PolarHBondContact O-N 2.9Å; Y449-A452 WeakPolarHBondContact O-CB 3.42Å; Y449-A452 PolarHBondContact O-N 3.23Å; A452-L455 PolarHBondContact O-N 3.12Å; A452-L456 WeakPolarHBondContact O-CG 3.44Å; A452-L456 PolarHBondContact O-N 2.78Å
453	L	83.2	Confident	81.7	Confident	10 Å²	10	62.7 Å²	62.7	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-44	175.6	-75.1	175.6	0	0	0	112.1	Y449 E451 L455 R457 L490 L493 E494 L497	Y449-L453 WeakPolarHBondContact O-CG 3.39Å; Y449-L453 PolarHBondContact O-N 3.26Å; E451-L453 VanDerWaalsContact C-N 3.32Å; E451-L453 PolarHBondContact O-N 3.43Å; L453-L455 PolarHBondContact O-N 3.41Å; L453-R457 WeakPolarHBondContact O-CB 3.44Å; L453-R457 WeakPolarHBondContact O-CG 3.38Å; L453-R457 PolarHBondContact O-N 2.95Å; L453-L490 HydrophobicContact CD2-CD1 4.22Å; L453-L493 HydrophobicContact CD2-CB 3.91Å; L453-E494 HydrophobicContact CD2-CG 3.82Å; L453-L497 HydrophobicContact CD1-CB 4.16Å; L453-L497 HydrophobicContact CD1-CD1 4.3Å; L453-L497 HydrophobicContact CG-CD1 4.39Å
454	K	84.9	Confident	80.7	Confident	114 Å²	114	67.9 Å²	67.9	50%	0.496	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-43.2	177	-73.2	170.1	-164.8	168.6	0	111.9	D450 E451 K458	D450-K454 VanDerWaalsContact O-CG 3.26Å; D450-K454 WeakPolarHBondContact O-CG 3.4Å; D450-K454 PolarHBondContact O-N 2.99Å; E451-K454 PolarHBondContact O-N 3.1Å; E451-K454 IonicContact OE1-NZ 3.07Å; E451-K454 PolarHBondContact OE1-NZ 2.94Å; K454-K458 WeakPolarHBondContact O-CB 3.39Å; K454-K458 PolarHBondContact O-N 3.36Å
455	L	83.8	Confident	79.6	Confident	34 Å²	34	75.2 Å²	75.2	18%	0.178	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-46.4	178.9	-72.6	175.9	0	0	0	111.6	W436 C439 E443 E451 A452 L453 K458 A459	W436-L455 HydrophobicContact CZ3-CB 4.38Å; W436-L455 HydrophobicContact CZ3-CD2 4.38Å; W436-L455 VanDerWaalsContact CZ3-O 3.3Å; W436-L455 WeakPolarHBondContact CZ3-O 3.34Å; C439-L455 HydrophobicContact CB-CD1 4.32Å; E443-L455 HydrophobicContact CG-CD1 3.69Å; E451-L455 WeakPolarHBondContact O-CB 3.38Å; E451-L455 VanDerWaalsContact O-CG 3.29Å; E451-L455 WeakPolarHBondContact O-CG 3.32Å; E451-L455 PolarHBondContact O-N 2.87Å; A452-L455 PolarHBondContact O-N 3.12Å; L453-L455 PolarHBondContact O-N 3.41Å; L455-K458 WeakPolarHBondContact O-CB 3.27Å; L455-K458 PolarHBondContact O-N 3.39Å; L455-A459 PolarHBondContact O-N 3.2Å
456	L	82.7	Confident	78.5	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-69.6	-38.8	178.2	-68.3	170.9	0	0	0	111.9	A452 K458 A459 T460 V486 M489 L490 L493	A452-L456 WeakPolarHBondContact O-CG 3.44Å; A452-L456 PolarHBondContact O-N 2.78Å; L456-K458 VanDerWaalsContact C-N 3.27Å; L456-K458 PolarHBondContact O-N 2.98Å; L456-A459 WeakPolarHBondContact O-CB 3.34Å; L456-A459 PolarHBondContact O-N 3.41Å; L456-A459 VanDerWaalsContact O-N 3.09Å; L456-T460 WeakPolarHBondContact O-CG2 3.46Å; L456-T460 PolarHBondContact O-N 3.36Å; L456-T460 PolarHBondContact O-OG1 2.93Å; L456-T460 VanDerWaalsContact O-OG1 3.11Å; L456-V486 HydrophobicContact CD2-CG1 4Å; L456-M489 HydrophobicContact CD1-CE 4.37Å; L456-M489 HydrophobicContact CD1-CG 3.98Å; L456-M489 HydrophobicContact CD1-SD 4.14Å; L456-M489 HydrophobicContact CD2-SD 4.24Å; L456-L490 HydrophobicContact CB-CB 4.39Å; L456-L490 HydrophobicContact CB-CD1 3.83Å; L456-L493 HydrophobicContact CD1-CD1 3.26Å
457	R	84.5	Confident	77.5	Confident	111 Å²	111	78 Å²	78	42%	0.419	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-37.6	171.9	-74.7	172.8	-176.8	173.7	2.7	112	L453 T460 A461 L490 E494	L453-R457 WeakPolarHBondContact O-CB 3.44Å; L453-R457 WeakPolarHBondContact O-CG 3.38Å; L453-R457 PolarHBondContact O-N 2.95Å; R457-T460 WeakPolarHBondContact CA-OG1 3.36Å; R457-T460 PolarHBondContact O-N 3.16Å; R457-T460 PolarHBondContact O-OG1 3.18Å; R457-A461 PolarHBondContact O-N 2.83Å; R457-L490 HydrophobicContact CG-CD1 4.14Å; R457-E494 IonicContact CZ-OE1 3.97Å; R457-E494 IonicContact NE-OE1 3.42Å; R457-E494 PolarHBondContact NE-OE1 3.12Å; R457-E494 IonicContact NH2-OE1 3.45Å; R457-E494 PolarHBondContact NH2-OE1 3.01Å; R457-E494 IonicContact NH2-OE2 2.71Å; R457-E494 PolarHBondContact NH2-OE2 3.34Å
458	K	83.6	Confident	76.5	Confident	126 Å²	126	77.7 Å²	77.7	55%	0.548	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-40.4	173.5	-177.4	-178.9	177.7	-176	0	111.5	W436 K454 L455 L456 A461	W436-K458 HydrophobicContact CH2-CD 4.14Å; W436-K458 HydrophobicContact CH2-CG 4.2Å; K454-K458 WeakPolarHBondContact O-CB 3.39Å; K454-K458 PolarHBondContact O-N 3.36Å; L455-K458 WeakPolarHBondContact O-CB 3.27Å; L455-K458 PolarHBondContact O-N 3.39Å; L456-K458 VanDerWaalsContact C-N 3.27Å; L456-K458 PolarHBondContact O-N 2.98Å; K458-A461 WeakPolarHBondContact O-CB 3.15Å; K458-A461 PolarHBondContact O-N 3.49Å
459	A	78.7	Confident	75.3	Confident	8 Å²	8	77.7 Å²	77.7	7%	0.066	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-36.8	175.8	0	0	0	0	0	112.9	W436 L455 L456 A461 V486	W436-A459 HydrophobicContact CB-CB 4.2Å; W436-A459 HydrophobicContact CD2-CB 3.39Å; W436-A459 HydrophobicContact CE3-CB 3.64Å; W436-A459 HydrophobicContact CG-CB 3.66Å; W436-A459 HydrophobicContact CH2-CB 4.4Å; W436-A459 HydrophobicContact CZ2-CB 4.21Å; W436-A459 HydrophobicContact CZ3-CB 4.13Å; L455-A459 PolarHBondContact O-N 3.2Å; L456-A459 WeakPolarHBondContact O-CB 3.34Å; L456-A459 PolarHBondContact O-N 3.41Å; L456-A459 VanDerWaalsContact O-N 3.09Å; A459-A461 VanDerWaalsContact C-N 3.35Å; A459-V486 HydrophobicContact CB-CG1 3.9Å
460	T	74.9	Confident	74.1	Confident	4 Å²	4	81.3 Å²	81.3	3%	0.025	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.3	179.7	60.7	0	0	0	0	114	L456 R457 L462 V486 W487 L490	L456-T460 WeakPolarHBondContact O-CG2 3.46Å; L456-T460 PolarHBondContact O-N 3.36Å; L456-T460 PolarHBondContact O-OG1 2.93Å; L456-T460 VanDerWaalsContact O-OG1 3.11Å; R457-T460 WeakPolarHBondContact CA-OG1 3.36Å; R457-T460 PolarHBondContact O-N 3.16Å; R457-T460 PolarHBondContact O-OG1 3.18Å; T460-L462 PolarHBondContact O-N 3.12Å; T460-V486 HydrophobicContact CG2-CG1 3.82Å; T460-W487 HydrophobicContact CG2-CD2 3.97Å; T460-W487 HydrophobicContact CG2-CE3 4.24Å; T460-W487 HydrophobicContact CG2-CG 4.47Å; T460-W487 HydrophobicContact CG2-CH2 4.33Å; T460-W487 HydrophobicContact CG2-CZ2 4.06Å; T460-W487 HydrophobicContact CG2-CZ3 4.43Å; T460-L490 HydrophobicContact CG2-CD2 3.76Å
461	A	75.9	Confident	73.1	Confident	58 Å²	58	78.8 Å²	78.8	48%	0.479	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-63.3	123.9	-179.5	0	0	0	0	0	109.8	R457 K458 A459 P463	R457-A461 PolarHBondContact O-N 2.83Å; K458-A461 WeakPolarHBondContact O-CB 3.15Å; K458-A461 PolarHBondContact O-N 3.49Å; A459-A461 VanDerWaalsContact C-N 3.35Å; A461-P463 VanDerWaalsContact O-CD 3.23Å; A461-P463 WeakPolarHBondContact O-CD 3.48Å
462	L	66.5	Low	72.3	Confident	98 Å²	98	78 Å²	78	51%	0.513	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-62.7	118.9	179.6	-73.7	155.2	0	0	0	109.8	T460 Y481 L513	T460-L462 PolarHBondContact O-N 3.12Å; L462-Y481 HydrophobicContact CD2-CD2 3.78Å; L462-Y481 HydrophobicContact CD2-CE2 4.01Å; L462-L513 HydrophobicContact CD2-CD2 4.01Å
463	P	68.2	Low	71.3	Confident	34 Å²	34	82.6 Å²	82.6	22%	0.221	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-64.9	148.8	172.1	-18.6	32.3	0	0	0	110.5	A461 R465 Y481	A461-P463 VanDerWaalsContact O-CD 3.23Å; A461-P463 WeakPolarHBondContact O-CD 3.48Å; P463-R465 PolarHBondContact O-N 2.79Å; P463-R465 VanDerWaalsContact O-N 3.14Å; P463-Y481 HydrophobicContact CG-CD1 3.8Å; P463-Y481 HydrophobicContact CG-CE1 4.1Å
464	A	64.3	Low	70.6	Confident	116 Å²	116	84.3 Å²	84.3	96%	0.959	43%	0.432	S	S	*	.	S	Bend	trans	-60	-25.5	179.5	0	0	0	0	0	113.1
465	R	64.1	Low	70	Confident	197 Å²	197	81.5 Å²	81.5	74%	0.743	43%	0.425	S	S	*	.	S	Bend	trans	-108.3	122.7	170.8	-69	-174.7	178.1	-179.5	-0.4	109.6	P463 A467	P463-R465 PolarHBondContact O-N 2.79Å; P463-R465 VanDerWaalsContact O-N 3.14Å; R465-A467 PolarHBondContact O-N 3.41Å; R465-A467 VanDerWaalsContact O-N 3.16Å
466	R	62.3	Low	69.3	Low	219 Å²	219	80.1 Å²	80.1	83%	0.826	42%	0.418	S	S	*	.			trans	-77.4	99.6	177.8	-67.6	-178.4	178.4	178.8	-1.8	109.5
467	A	62.4	Low	68.6	Low	5 Å²	5	83.9 Å²	83.9	4%	0.041	44%	0.436	C	S	.	.			trans	-79.6	146.5	172.9	0	0	0	0	0	111.8	R465 E474 N478 R479 Y481 K482	R465-A467 PolarHBondContact O-N 3.41Å; R465-A467 VanDerWaalsContact O-N 3.16Å; A467-E474 VanDerWaalsContact CB-OE2 3.28Å; A467-E474 WeakPolarHBondContact CB-OE2 3.44Å; A467-N478 HydrophobicContact CB-CB 4.25Å; A467-R479 HydrophobicContact CB-CG 4.38Å; A467-Y481 PolarHBondContact O-OH 3.01Å; A467-K482 WeakPolarHBondContact O-CE 3.3Å; A467-K482 PolarHBondContact O-NZ 2.62Å
468	E	62.6	Low	68.1	Low	139 Å²	139	81.1 Å²	81.1	65%	0.65	43%	0.43	S	S	*	.			trans	-71.4	148.3	167.3	-69.7	-167.3	166.3	0	0	111.2	F470 D471 R479	E468-F470 PolarHBondContact O-N 2.91Å; E468-D471 HydrophobicContact CB-CB 4.26Å; E468-D471 PolarHBondContact O-N 3.48Å; E468-R479 WeakPolarHBondContact O-CD 3.27Å
469	Y	60.6	Low	67.6	Low	57 Å²	57	76 Å²	76	22%	0.224	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.1	-176.5	-173.8	-106.8	0	0	0	112.2	V429 R479 K482	V429-Y469 HydrophobicContact CB-CD2 4.4Å; V429-Y469 HydrophobicContact CB-CE2 3.63Å; V429-Y469 HydrophobicContact CG1-CD2 4.35Å; V429-Y469 HydrophobicContact CG1-CE2 3.63Å; V429-Y469 HydrophobicContact CG2-CD2 4.08Å; V429-Y469 HydrophobicContact CG2-CE2 3.78Å; Y469-R479 WeakPolarHBondContact O-CD 3.46Å; Y469-R479 PolarHBondContact O-NH1 3.24Å; Y469-K482 HydrophobicContact CD2-CB 3.64Å; Y469-K482 HydrophobicContact CE2-CB 4.33Å; Y469-K482 HydrophobicContact CG-CB 4.47Å
470	F	60.4	Low	67.5	Low	177 Å²	177	75.8 Å²	75.8	78%	0.776	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-6.4	-173.1	-61.6	-73.1	0	0	0	114.4	E468 G472	E468-F470 PolarHBondContact O-N 2.91Å; F470-G472 PolarHBondContact O-N 2.88Å
471	D	63.4	Low	67.5	Low	67 Å²	67	75.9 Å²	75.9	36%	0.358	40%	0.404	S	S	.	.			trans	-71.7	97.8	-176.7	179.4	5.3	0	0	0	111.3	E468 S473 E474 R479	E468-D471 HydrophobicContact CB-CB 4.26Å; E468-D471 PolarHBondContact O-N 3.48Å; D471-S473 PolarHBondContact O-N 2.82Å; D471-S473 WeakPolarHBondContact OD1-CB 3.38Å; D471-S473 PolarHBondContact OD1-N 3.24Å; D471-S473 PolarHBondContact OD1-OG 3.48Å; D471-S473 PolarHBondContact OD2-OG 2.8Å; D471-E474 PolarHBondContact O-N 2.83Å; D471-R479 VanDerWaalsContact C-CZ 3.41Å; D471-R479 PolarHBondContact O-NE 3.47Å; D471-R479 VanDerWaalsContact O-NE 3.11Å; D471-R479 PolarHBondContact O-NH1 2.89Å; D471-R479 PolarHBondContact O-NH2 3.19Å
472	G	65.8	Low	67.5	Low	65 Å²	65	75.6 Å²	75.6	67%	0.67	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-20.5	179.5	0	0	0	0	0	115.8	F470 R479	F470-G472 PolarHBondContact O-N 2.88Å; G472-R479 VanDerWaalsContact C-NH2 3.35Å; G472-R479 PolarHBondContact O-NH2 3.27Å
473	S	65.1	Low	68.2	Low	95 Å²	95	71 Å²	71	66%	0.664	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-31.9	-174.3	71.5	0	0	0	0	113.7	D471	D471-S473 PolarHBondContact O-N 2.82Å; D471-S473 WeakPolarHBondContact OD1-CB 3.38Å; D471-S473 PolarHBondContact OD1-N 3.24Å; D471-S473 PolarHBondContact OD1-OG 3.48Å; D471-S473 PolarHBondContact OD2-OG 2.8Å
474	E	67.5	Low	68.9	Low	47 Å²	47	71.7 Å²	71.7	22%	0.22	37%	0.37	C	S	.	.	S	Bend	trans	-90	144.7	-179.7	-71	-147.4	175.4	0	0	112.4	A467 D471 V476 N478 R479	A467-E474 VanDerWaalsContact CB-OE2 3.28Å; A467-E474 WeakPolarHBondContact CB-OE2 3.44Å; D471-E474 PolarHBondContact O-N 2.83Å; E474-V476 PolarHBondContact O-N 3.19Å; E474-N478 WeakPolarHBondContact OE2-CB 3.36Å; E474-N478 PolarHBondContact OE2-ND2 3.06Å; E474-R479 PolarHBondContact O-NE 2.94Å; E474-R479 PolarHBondContact O-NH2 3.45Å
475	P	71.8	Confident	69.8	Low	54 Å²	54	71 Å²	71	35%	0.351	35%	0.345	S	S	.	.			trans	-51.8	140.4	172.5	-26.8	35.1	0	0	0	112.2	Q477 N478	P475-Q477 PolarHBondContact O-N 2.81Å; P475-N478 PolarHBondContact O-N 3.04Å
476	V	69.3	Low	70.8	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.03	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-56.1	-28	-179.4	178.6	0	0	0	0	112.6	F426 V429 L432 E474 N478 R479 V480	F426-V476 WeakPolarHBondContact O-CG2 3.44Å; V429-V476 VanDerWaalsContact CA-CG1 3.42Å; V429-V476 HydrophobicContact CB-CG1 4.03Å; V429-V476 HydrophobicContact CG1-CG1 4.18Å; V429-V476 HydrophobicContact CG2-CG1 3.98Å; L432-V476 HydrophobicContact CB-CG1 3.89Å; L432-V476 HydrophobicContact CD2-CB 4.27Å; L432-V476 HydrophobicContact CD2-CG1 3.9Å; E474-V476 PolarHBondContact O-N 3.19Å; V476-N478 PolarHBondContact O-N 3.2Å; V476-R479 WeakPolarHBondContact O-CA 3.33Å; V476-R479 WeakPolarHBondContact O-CB 3.46Å; V476-R479 PolarHBondContact O-N 3.47Å; V476-V480 WeakPolarHBondContact O-CG2 3.25Å; V476-V480 PolarHBondContact O-N 3.35Å
477	Q	69.6	Low	72.1	Confident	80 Å²	80	51.3 Å²	51.3	37%	0.374	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-53	-39.5	173.8	-69.9	163.4	16	0	0	112.9	T422 K423 L432 P475 R479	T422-Q477 WeakPolarHBondContact O-CG 3.39Å; T422-Q477 PolarHBondContact O-NE2 3.12Å; K423-Q477 PolarHBondContact O-NE2 3.48Å; L432-Q477 HydrophobicContact CD2-CB 4.39Å; L432-Q477 HydrophobicContact CD2-CG 3.82Å; P475-Q477 PolarHBondContact O-N 2.81Å; Q477-R479 PolarHBondContact O-N 3.4Å
478	N	74	Confident	73.2	Confident	53 Å²	53	53 Å²	53	28%	0.283	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-72.9	-12.8	177.6	-70.3	-4.7	0	0	0	112.4	A467 E474 P475 V476 Y481	A467-N478 HydrophobicContact CB-CB 4.25Å; E474-N478 WeakPolarHBondContact OE2-CB 3.36Å; E474-N478 PolarHBondContact OE2-ND2 3.06Å; P475-N478 PolarHBondContact O-N 3.04Å; V476-N478 PolarHBondContact O-N 3.2Å; N478-Y481 WeakPolarHBondContact O-CD1 3.21Å; N478-Y481 WeakPolarHBondContact O-CE1 3.1Å
479	R	72.7	Confident	74.3	Confident	19 Å²	19	47.5 Å²	47.5	7%	0.072	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-104.3	-13.3	-176.6	-50.7	-173.6	-137.2	167.4	6.4	113.3	V429 A467 E468 Y469 D471 G472 E474 V476 Q477 Y481 K482	V429-R479 HydrophobicContact CG1-CB 4.26Å; V429-R479 HydrophobicContact CG2-CB 3.75Å; A467-R479 HydrophobicContact CB-CG 4.38Å; E468-R479 WeakPolarHBondContact O-CD 3.27Å; Y469-R479 WeakPolarHBondContact O-CD 3.46Å; Y469-R479 PolarHBondContact O-NH1 3.24Å; D471-R479 VanDerWaalsContact C-CZ 3.41Å; D471-R479 PolarHBondContact O-NE 3.47Å; D471-R479 VanDerWaalsContact O-NE 3.11Å; D471-R479 PolarHBondContact O-NH1 2.89Å; D471-R479 PolarHBondContact O-NH2 3.19Å; G472-R479 VanDerWaalsContact C-NH2 3.35Å; G472-R479 PolarHBondContact O-NH2 3.27Å; E474-R479 PolarHBondContact O-NE 2.94Å; E474-R479 PolarHBondContact O-NH2 3.45Å; V476-R479 WeakPolarHBondContact O-CA 3.33Å; V476-R479 WeakPolarHBondContact O-CB 3.46Å; V476-R479 PolarHBondContact O-N 3.47Å; Q477-R479 PolarHBondContact O-N 3.4Å; R479-Y481 PolarHBondContact O-N 3.5Å; R479-K482 WeakPolarHBondContact O-CB 3.31Å; R479-K482 PolarHBondContact O-N 3.46Å
480	V	75.1	Confident	75.4	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.8	-34.5	-175.9	-174.9	0	0	0	0	112.5	L432 V476 K482 S483 V486	L432-V480 HydrophobicContact CB-CG2 4.21Å; L432-V480 HydrophobicContact CD2-CG2 3.22Å; L432-V480 HydrophobicContact CG-CG2 3.54Å; V476-V480 WeakPolarHBondContact O-CG2 3.25Å; V476-V480 PolarHBondContact O-N 3.35Å; V480-K482 PolarHBondContact O-N 3.43Å; V480-S483 VanDerWaalsContact O-CB 3.31Å; V480-S483 WeakPolarHBondContact O-CB 3.49Å; V480-S483 PolarHBondContact O-N 3.18Å; V480-V486 HydrophobicContact CG1-CG2 4.23Å
481	Y	76.4	Confident	76.6	Confident	5 Å²	5	36.6 Å²	36.6	2%	0.02	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-60.7	-12.6	177.8	80.7	-88.5	0	0	0	113.4	L462 P463 A467 N478 R479 W487 L513	L462-Y481 HydrophobicContact CD2-CD2 3.78Å; L462-Y481 HydrophobicContact CD2-CE2 4.01Å; P463-Y481 HydrophobicContact CG-CD1 3.8Å; P463-Y481 HydrophobicContact CG-CE1 4.1Å; A467-Y481 PolarHBondContact O-OH 3.01Å; N478-Y481 WeakPolarHBondContact O-CD1 3.21Å; N478-Y481 WeakPolarHBondContact O-CE1 3.1Å; R479-Y481 PolarHBondContact O-N 3.5Å; Y481-W487 PolarHBondContact O-NE1 3.42Å; Y481-L513 HydrophobicContact CD2-CD1 4.22Å; Y481-L513 HydrophobicContact CD2-CD2 3.79Å; Y481-L513 HydrophobicContact CE2-CD2 3.66Å; Y481-L513 WeakPolarHBondContact O-CD1 3.24Å
482	K	75.3	Confident	77.7	Confident	53 Å²	53	37.5 Å²	37.5	23%	0.23	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-94.4	-2.4	173.3	-75	-179.4	172.4	170.5	0	114.3	A467 Y469 R479 V480 L484 I515	A467-K482 WeakPolarHBondContact O-CE 3.3Å; A467-K482 PolarHBondContact O-NZ 2.62Å; Y469-K482 HydrophobicContact CD2-CB 3.64Å; Y469-K482 HydrophobicContact CE2-CB 4.33Å; Y469-K482 HydrophobicContact CG-CB 4.47Å; R479-K482 WeakPolarHBondContact O-CB 3.31Å; R479-K482 PolarHBondContact O-N 3.46Å; V480-K482 PolarHBondContact O-N 3.43Å; K482-L484 PolarHBondContact O-N 3.04Å; K482-I515 HydrophobicContact CB-CD1 4.24Å; K482-I515 HydrophobicContact CG-CD1 4.41Å; K482-I515 WeakPolarHBondContact O-CD1 3.45Å; K482-I515 WeakPolarHBondContact O-CG2 3.17Å
483	S	80.9	Confident	78.5	Confident	2 Å²	2	35 Å²	35	1%	0.014	19%	0.188	C	C	.	.			trans	-78.5	117.2	-179.7	-174.4	0	0	0	0	111.3	A433 V480 K485 V486 W487	A433-S483 WeakPolarHBondContact CB-OG 3.33Å; V480-S483 VanDerWaalsContact O-CB 3.31Å; V480-S483 WeakPolarHBondContact O-CB 3.49Å; V480-S483 PolarHBondContact O-N 3.18Å; S483-K485 PolarHBondContact O-N 3.36Å; S483-V486 PolarHBondContact O-N 2.85Å; S483-W487 VanDerWaalsContact O-CD1 3.25Å; S483-W487 PolarHBondContact O-N 3.33Å
484	L	83.4	Confident	79.4	Confident	48 Å²	48	30.5 Å²	30.5	25%	0.251	16%	0.156	S	C	.	.	H	α-helix	trans	-58.3	-35	177	-172.6	59.7	0	0	0	113.1	K482 V486 W487 S488 I515 T517 I520	K482-L484 PolarHBondContact O-N 3.04Å; L484-V486 PolarHBondContact O-N 3.49Å; L484-W487 CarbonylContact O-C 3.21Å; L484-W487 PolarHBondContact O-N 3.47Å; L484-S488 PolarHBondContact O-N 3.33Å; L484-S488 PolarHBondContact O-OG 3.14Å; L484-I515 HydrophobicContact CB-CG2 3.8Å; L484-I515 HydrophobicContact CD1-CG2 4Å; L484-I515 VanDerWaalsContact CD1-O 3.25Å; L484-I515 WeakPolarHBondContact CD1-O 3.32Å; L484-I515 HydrophobicContact CG-CG2 4.44Å; L484-T517 HydrophobicContact CD2-CG2 3.5Å; L484-T517 VanDerWaalsContact CD2-CG2 3.5Å; L484-I520 HydrophobicContact CD1-CD1 3.3Å; L484-I520 HydrophobicContact CD2-CD1 4.39Å; L484-I520 HydrophobicContact CG-CD1 4.12Å
485	K	83.2	Confident	80.2	Confident	100 Å²	100	31.5 Å²	31.5	44%	0.435	16%	0.161	S	C	.	.	H	α-helix	trans	-65	-39.8	-175.5	-66.5	174.1	-178.5	155.4	0	112.4	D430 S483 W487 S488 M489	D430-K485 IonicContact OD1-NZ 3.24Å; D430-K485 PolarHBondContact OD1-NZ 2.91Å; S483-K485 PolarHBondContact O-N 3.36Å; K485-W487 VanDerWaalsContact C-N 3.34Å; K485-S488 PolarHBondContact O-OG 3.18Å; K485-M489 PolarHBondContact O-N 2.81Å; K485-M489 VanDerWaalsContact O-N 3.16Å
486	V	85.9	Confident	80.8	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-69.2	-39.7	176.6	-174.2	0	0	0	0	109.6	A433 W436 L456 A459 T460 V480 S483 L484 L490	A433-V486 HydrophobicContact CB-CG2 3.73Å; W436-V486 HydrophobicContact CB-CG2 4.35Å; L456-V486 HydrophobicContact CD2-CG1 4Å; A459-V486 HydrophobicContact CB-CG1 3.9Å; T460-V486 HydrophobicContact CG2-CG1 3.82Å; V480-V486 HydrophobicContact CG1-CG2 4.23Å; S483-V486 PolarHBondContact O-N 2.85Å; L484-V486 PolarHBondContact O-N 3.49Å; V486-L490 VanDerWaalsContact O-CB 3.31Å; V486-L490 WeakPolarHBondContact O-CB 3.34Å; V486-L490 PolarHBondContact O-N 2.86Å
487	W	88.7	Confident	81.2	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-67.6	-39.4	176.3	-80.6	110	0	0	0	113.8	T460 Y481 S483 L484 K485 L490 A491 V506 R509 I510 L513	T460-W487 HydrophobicContact CG2-CD2 3.97Å; T460-W487 HydrophobicContact CG2-CE3 4.24Å; T460-W487 HydrophobicContact CG2-CG 4.47Å; T460-W487 HydrophobicContact CG2-CH2 4.33Å; T460-W487 HydrophobicContact CG2-CZ2 4.06Å; T460-W487 HydrophobicContact CG2-CZ3 4.43Å; Y481-W487 PolarHBondContact O-NE1 3.42Å; S483-W487 VanDerWaalsContact O-CD1 3.25Å; S483-W487 PolarHBondContact O-N 3.33Å; L484-W487 CarbonylContact O-C 3.21Å; L484-W487 PolarHBondContact O-N 3.47Å; K485-W487 VanDerWaalsContact C-N 3.34Å; W487-L490 HydrophobicContact CE3-CD2 4Å; W487-L490 HydrophobicContact CZ3-CD2 3.91Å; W487-L490 PolarHBondContact O-N 2.87Å; W487-A491 VanDerWaalsContact O-CB 3.24Å; W487-A491 WeakPolarHBondContact O-CB 3.45Å; W487-A491 PolarHBondContact O-N 3.5Å; W487-V506 HydrophobicContact CE3-CG1 3.93Å; W487-V506 HydrophobicContact CZ3-CB 4.5Å; W487-V506 HydrophobicContact CZ3-CG1 3.98Å; W487-R509 HydrophobicContact CH2-CB 3.67Å; W487-R509 HydrophobicContact CH2-CG 4.41Å; W487-R509 HydrophobicContact CZ2-CB 4.44Å; W487-R509 HydrophobicContact CZ3-CB 3.96Å; W487-I510 HydrophobicContact CB-CD1 3.92Å; W487-I510 HydrophobicContact CB-CG1 3.86Å; W487-I510 HydrophobicContact CD2-CD1 4.38Å; W487-I510 HydrophobicContact CD2-CG1 3.66Å; W487-I510 HydrophobicContact CE3-CD1 3.93Å; W487-I510 HydrophobicContact CE3-CG1 3.42Å; W487-I510 VanDerWaalsContact CE3-CG1 3.42Å; W487-I510 HydrophobicContact CG-CD1 4.42Å; W487-I510 HydrophobicContact CG-CG1 3.87Å; W487-I510 HydrophobicContact CZ3-CG1 4.2Å; W487-L513 HydrophobicContact CH2-CD1 4.49Å; W487-L513 HydrophobicContact CZ2-CD1 3.49Å; W487-L513 VanDerWaalsContact CZ2-CD1 3.49Å
488	S	85.7	Confident	81.3	Confident	41 Å²	41	33.8 Å²	33.8	29%	0.287	19%	0.186	S	C	.	.	H	α-helix	trans	-64.8	-45.8	176.7	62.2	0	0	0	0	110.2	L484 K485 L490 A491 D492	L484-S488 PolarHBondContact O-N 3.33Å; L484-S488 PolarHBondContact O-OG 3.14Å; K485-S488 PolarHBondContact O-OG 3.18Å; S488-L490 PolarHBondContact O-N 3.35Å; S488-A491 WeakPolarHBondContact O-CB 3.27Å; S488-A491 PolarHBondContact O-N 2.97Å; S488-A491 VanDerWaalsContact O-N 3.16Å; S488-D492 PolarHBondContact O-N 3.29Å
489	M	85	Confident	81.7	Confident	24 Å²	24	36 Å²	36	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-41	175.9	-173.7	178.5	-173.9	0	0	112.4	C437 G440 E441 L444 L456 K485 A491 L493	C437-M489 HydrophobicContact CB-SD 3.91Å; C437-M489 WeakPolarHBondContact O-CE 3.32Å; G440-M489 VanDerWaalsContact C-CE 3.49Å; E441-M489 HydrophobicContact CB-CE 4.45Å; E441-M489 HydrophobicContact CG-CE 3.82Å; L444-M489 HydrophobicContact CD1-CE 3.54Å; L456-M489 HydrophobicContact CD1-CE 4.37Å; L456-M489 HydrophobicContact CD1-CG 3.98Å; L456-M489 HydrophobicContact CD1-SD 4.14Å; L456-M489 HydrophobicContact CD2-SD 4.24Å; K485-M489 PolarHBondContact O-N 2.81Å; K485-M489 VanDerWaalsContact O-N 3.16Å; M489-A491 VanDerWaalsContact C-N 3.32Å; M489-L493 HydrophobicContact CE-CD1 4.21Å; M489-L493 HydrophobicContact CG-CD1 4.19Å; M489-L493 WeakPolarHBondContact O-CB 3.47Å; M489-L493 VanDerWaalsContact O-CG 3.24Å; M489-L493 WeakPolarHBondContact O-CG 3.11Å; M489-L493 PolarHBondContact O-N 3.23Å
490	L	85.3	Confident	82.1	Confident	1 Å²	1	37 Å²	37	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-40.2	174.6	179.3	65.4	0	0	0	111.3	L453 L456 R457 T460 V486 W487 S488 L493 E494 V506	L453-L490 HydrophobicContact CD2-CD1 4.22Å; L456-L490 HydrophobicContact CB-CB 4.39Å; L456-L490 HydrophobicContact CB-CD1 3.83Å; R457-L490 HydrophobicContact CG-CD1 4.14Å; T460-L490 HydrophobicContact CG2-CD2 3.76Å; V486-L490 VanDerWaalsContact O-CB 3.31Å; V486-L490 WeakPolarHBondContact O-CB 3.34Å; V486-L490 PolarHBondContact O-N 2.86Å; W487-L490 HydrophobicContact CE3-CD2 4Å; W487-L490 HydrophobicContact CZ3-CD2 3.91Å; W487-L490 PolarHBondContact O-N 2.87Å; S488-L490 PolarHBondContact O-N 3.35Å; L490-L493 PolarHBondContact O-N 3.27Å; L490-E494 HydrophobicContact CD1-CG 4.04Å; L490-E494 HydrophobicContact CG-CG 4.32Å; L490-E494 WeakPolarHBondContact O-CB 3.1Å; L490-E494 WeakPolarHBondContact O-CG 3.44Å; L490-E494 PolarHBondContact O-N 3.46Å; L490-V506 HydrophobicContact CD2-CG1 4.23Å; L490-V506 HydrophobicContact CD2-CG2 4.01Å; L490-V506 HydrophobicContact CG-CG1 4.2Å; L490-V506 HydrophobicContact CG-CG2 4.21Å
491	A	84.5	Confident	82.6	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-48.7	177.7	0	0	0	0	0	111.1	W487 S488 M489 L493 E494 E495 V506 Y507 I510	W487-A491 VanDerWaalsContact O-CB 3.24Å; W487-A491 WeakPolarHBondContact O-CB 3.45Å; W487-A491 PolarHBondContact O-N 3.5Å; S488-A491 WeakPolarHBondContact O-CB 3.27Å; S488-A491 PolarHBondContact O-N 2.97Å; S488-A491 VanDerWaalsContact O-N 3.16Å; M489-A491 VanDerWaalsContact C-N 3.32Å; A491-L493 VanDerWaalsContact C-N 3.26Å; A491-L493 PolarHBondContact O-N 3.31Å; A491-E494 PolarHBondContact O-N 3.34Å; A491-E495 WeakPolarHBondContact O-CB 3.31Å; A491-E495 WeakPolarHBondContact O-CG 3.44Å; A491-E495 PolarHBondContact O-N 2.64Å; A491-V506 HydrophobicContact CB-CG1 4.12Å; A491-Y507 HydrophobicContact CB-CE1 3.92Å; A491-I510 HydrophobicContact CB-CD1 4.25Å
492	D	86.1	Confident	82.9	Confident	86 Å²	86	45.3 Å²	45.3	46%	0.46	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-36.3	178.1	-59	-23.6	0	0	0	111.8	S488 S496	S488-D492 PolarHBondContact O-N 3.29Å; D492-S496 PolarHBondContact O-N 3.22Å; D492-S496 PolarHBondContact O-OG 3.13Å
493	L	83.6	Confident	83.4	Confident	13 Å²	13	42.9 Å²	42.9	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-74.1	-38.1	176	-72.6	176.9	0	0	0	113.8	L444 L453 L456 M489 L490 A491 E495 S496 L497	L444-L493 HydrophobicContact CD1-CD1 4.05Å; L444-L493 HydrophobicContact CD1-CD2 3.64Å; L444-L493 HydrophobicContact CD1-CG 4.28Å; L444-L493 HydrophobicContact CD2-CD1 4.08Å; L444-L493 HydrophobicContact CD2-CD2 3.25Å; L444-L493 HydrophobicContact CD2-CG 4.28Å; L444-L493 HydrophobicContact CG-CD1 4.37Å; L444-L493 HydrophobicContact CG-CD2 4.01Å; L453-L493 HydrophobicContact CD2-CB 3.91Å; L456-L493 HydrophobicContact CD1-CD1 3.26Å; M489-L493 HydrophobicContact CE-CD1 4.21Å; M489-L493 HydrophobicContact CG-CD1 4.19Å; M489-L493 WeakPolarHBondContact O-CB 3.47Å; M489-L493 VanDerWaalsContact O-CG 3.24Å; M489-L493 WeakPolarHBondContact O-CG 3.11Å; M489-L493 PolarHBondContact O-N 3.23Å; L490-L493 PolarHBondContact O-N 3.27Å; A491-L493 VanDerWaalsContact C-N 3.26Å; A491-L493 PolarHBondContact O-N 3.31Å; L493-E495 VanDerWaalsContact C-N 3.35Å; L493-S496 WeakPolarHBondContact CA-OG 3.29Å; L493-S496 PolarHBondContact O-N 2.92Å; L493-S496 PolarHBondContact O-OG 3.39Å; L493-S496 VanDerWaalsContact O-OG 3.09Å; L493-L497 HydrophobicContact CB-CD1 4.48Å; L493-L497 HydrophobicContact CD2-CD1 4.16Å; L493-L497 VanDerWaalsContact O-CB 3.28Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 PolarHBondContact O-N 3.47Å
494	E	84.3	Confident	83.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-35.5	173.8	-67.9	-89.8	-171.9	0	0	110.2	L453 R457 L490 A491 S496 G498 S502 T503 V506	L453-E494 HydrophobicContact CD2-CG 3.82Å; R457-E494 IonicContact CZ-OE1 3.97Å; R457-E494 IonicContact NE-OE1 3.42Å; R457-E494 PolarHBondContact NE-OE1 3.12Å; R457-E494 IonicContact NH2-OE1 3.45Å; R457-E494 PolarHBondContact NH2-OE1 3.01Å; R457-E494 IonicContact NH2-OE2 2.71Å; R457-E494 PolarHBondContact NH2-OE2 3.34Å; L490-E494 HydrophobicContact CD1-CG 4.04Å; L490-E494 HydrophobicContact CG-CG 4.32Å; L490-E494 WeakPolarHBondContact O-CB 3.1Å; L490-E494 WeakPolarHBondContact O-CG 3.44Å; L490-E494 PolarHBondContact O-N 3.46Å; A491-E494 PolarHBondContact O-N 3.34Å; E494-S496 VanDerWaalsContact C-N 3.25Å; E494-S496 PolarHBondContact O-N 2.99Å; E494-G498 WeakPolarHBondContact O-CA 3.09Å; E494-G498 PolarHBondContact O-N 3.01Å; E494-S502 WeakPolarHBondContact OE2-CB 3.25Å; E494-S502 PolarHBondContact OE2-OG 3.1Å; E494-T503 HydrophobicContact CB-CG2 3.69Å; E494-T503 WeakPolarHBondContact O-CG2 3.45Å; E494-V506 HydrophobicContact CG-CG2 4.12Å
495	E	84.6	Confident	83.8	Confident	68 Å²	68	44.6 Å²	44.6	32%	0.318	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-35.3	175.3	-78.1	-168.9	149.6	0	0	111.7	A491 L493 Y507 F527	A491-E495 WeakPolarHBondContact O-CB 3.31Å; A491-E495 WeakPolarHBondContact O-CG 3.44Å; A491-E495 PolarHBondContact O-N 2.64Å; L493-E495 VanDerWaalsContact C-N 3.35Å; E495-Y507 HydrophobicContact CG-CE2 4Å; E495-Y507 WeakPolarHBondContact CG-OH 3.43Å; E495-Y507 PolarHBondContact OE1-OH 3.08Å; E495-Y507 PolarHBondContact OE2-OH 3.02Å; E495-F527 HydrophobicContact CG-CD2 3.98Å; E495-F527 HydrophobicContact CG-CE2 4.29Å
496	S	82.6	Confident	83.9	Confident	88 Å²	88	40.1 Å²	40.1	62%	0.615	23%	0.23	S	C	*	.	H	α-helix	trans	-85.5	-35.9	-179.4	50.1	0	0	0	0	114.5	D492 L493 E494	D492-S496 PolarHBondContact O-N 3.22Å; D492-S496 PolarHBondContact O-OG 3.13Å; L493-S496 WeakPolarHBondContact CA-OG 3.29Å; L493-S496 PolarHBondContact O-N 2.92Å; L493-S496 PolarHBondContact O-OG 3.39Å; L493-S496 VanDerWaalsContact O-OG 3.09Å; E494-S496 VanDerWaalsContact C-N 3.25Å; E494-S496 PolarHBondContact O-N 2.99Å
497	L	78	Confident	83.9	Confident	70 Å²	70	40.2 Å²	40.2	37%	0.366	23%	0.23	S	C	.	.	H	α-helix	trans	-116.3	-25.1	-171.7	-60.3	157.5	0	0	0	113.6	Y449 L453 L493	Y449-L497 HydrophobicContact CD1-CD1 3.82Å; Y449-L497 HydrophobicContact CD1-CD2 3.93Å; Y449-L497 HydrophobicContact CD1-CG 4.44Å; Y449-L497 HydrophobicContact CD2-CD2 4.04Å; Y449-L497 HydrophobicContact CG-CD1 3.96Å; Y449-L497 HydrophobicContact CG-CD2 3.61Å; Y449-L497 HydrophobicContact CG-CG 4.41Å; L453-L497 HydrophobicContact CD1-CB 4.16Å; L453-L497 HydrophobicContact CD1-CD1 4.3Å; L453-L497 HydrophobicContact CG-CD1 4.39Å; L493-L497 HydrophobicContact CB-CD1 4.48Å; L493-L497 HydrophobicContact CD2-CD1 4.16Å; L493-L497 VanDerWaalsContact O-CB 3.28Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 PolarHBondContact O-N 3.47Å
498	G	73	Confident	83.8	Confident	29 Å²	29	42 Å²	42	30%	0.299	24%	0.24	S	C	.	.	S	Bend	trans	-78.2	170.3	-165.6	0	0	0	0	0	114	E494	E494-G498 WeakPolarHBondContact O-CA 3.09Å; E494-G498 PolarHBondContact O-N 3.01Å
499	T	81.1	Confident	83.7	Confident	100 Å²	100	45.7 Å²	45.7	61%	0.613	25%	0.248	S	C	*	.			trans	-84.8	151.2	171.2	-18.9	0	0	0	0	108.6	Q501 S502 T503	T499-Q501 PolarHBondContact O-N 3.17Å; T499-S502 PolarHBondContact N-OG 2.98Å; T499-S502 PolarHBondContact O-N 3.43Å; T499-S502 PolarHBondContact O-OG 2.87Å; T499-T503 PolarHBondContact O-N 3.22Å; T499-T503 VanDerWaalsContact O-N 3.08Å; T499-T503 PolarHBondContact O-OG1 3.08Å
500	F	82	Confident	83.8	Confident	40 Å²	40	44.5 Å²	44.5	18%	0.175	24%	0.242	C	C	.	.	H	α-helix	trans	-48.4	-34.5	174.4	176.5	-99.1	0	0	0	113.8	T503 K504 F527 L528 H531 Y533	F500-T503 WeakPolarHBondContact CA-OG1 3.31Å; F500-T503 PolarHBondContact O-OG1 2.81Å; F500-K504 HydrophobicContact CE1-CD 4.36Å; F500-K504 WeakPolarHBondContact O-CB 3.49Å; F500-K504 PolarHBondContact O-N 2.8Å; F500-F527 AromaticContact CD2-CE1 3.69Å; F500-F527 HydrophobicContact CD2-CE1 3.69Å; F500-F527 HydrophobicContact CD2-CZ 4.02Å; F500-F527 AromaticContact CE2-CE1 3.87Å; F500-F527 HydrophobicContact CE2-CE1 3.87Å; F500-L528 HydrophobicContact CE2-CD2 3.83Å; F500-L528 HydrophobicContact CZ-CD2 3.69Å; F500-H531 HydrophobicContact CD2-CB 3.78Å; F500-H531 AromaticContact CD2-CD2 3.52Å; F500-H531 AromaticContact CD2-CG 3.53Å; F500-H531 HydrophobicContact CE2-CB 3.58Å; F500-H531 AromaticContact CE2-CD2 3.89Å; F500-H531 AromaticContact CE2-CG 3.83Å; F500-Y533 AromaticContact CD1-CE2 3.93Å; F500-Y533 HydrophobicContact CD1-CE2 3.93Å; F500-Y533 HydrophobicContact CD2-CD2 4.33Å; F500-Y533 HydrophobicContact CD2-CE2 4.18Å; F500-Y533 AromaticContact CE1-CD2 3.71Å; F500-Y533 HydrophobicContact CE1-CD2 3.71Å; F500-Y533 HydrophobicContact CE1-CE1 4.28Å; F500-Y533 AromaticContact CE1-CE2 3.39Å; F500-Y533 HydrophobicContact CE1-CE2 3.39Å; F500-Y533 HydrophobicContact CE1-CG 4.26Å; F500-Y533 AromaticContact CE1-CZ 3.7Å; F500-Y533 AromaticContact CE2-CD2 3.43Å; F500-Y533 HydrophobicContact CE2-CD2 3.43Å; F500-Y533 VanDerWaalsContact CE2-CD2 3.43Å; F500-Y533 AromaticContact CE2-CE2 3.68Å; F500-Y533 HydrophobicContact CE2-CE2 3.68Å; F500-Y533 HydrophobicContact CE2-CG 4.32Å; F500-Y533 HydrophobicContact CG-CE2 4.3Å; F500-Y533 HydrophobicContact CZ-CD1 4.3Å; F500-Y533 AromaticContact CZ-CD2 3.06Å; F500-Y533 HydrophobicContact CZ-CD2 3.06Å; F500-Y533 HydrophobicContact CZ-CE1 4.46Å; F500-Y533 AromaticContact CZ-CE2 3.26Å; F500-Y533 HydrophobicContact CZ-CE2 3.26Å; F500-Y533 AromaticContact CZ-CG 3.64Å; F500-Y533 HydrophobicContact CZ-CG 3.64Å; F500-Y533 AromaticContact CZ-CZ 3.98Å
501	Q	84.9	Confident	83.7	Confident	158 Å²	158	44.8 Å²	44.8	74%	0.738	24%	0.243	S	C	*	.	H	α-helix	trans	-75.3	-33.7	178.2	-64.4	-179.7	2.8	0	0	113.2	T499 A505	T499-Q501 PolarHBondContact O-N 3.17Å; Q501-A505 VanDerWaalsContact O-CB 3.28Å; Q501-A505 WeakPolarHBondContact O-CB 3.28Å; Q501-A505 PolarHBondContact O-N 3.45Å
502	S	84	Confident	83.7	Confident	24 Å²	24	49.5 Å²	49.5	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-75.7	-42.8	-179.5	63.4	0	0	0	0	111.1	E494 T499 A505 V506	E494-S502 WeakPolarHBondContact OE2-CB 3.25Å; E494-S502 PolarHBondContact OE2-OG 3.1Å; T499-S502 PolarHBondContact N-OG 2.98Å; T499-S502 PolarHBondContact O-N 3.43Å; T499-S502 PolarHBondContact O-OG 2.87Å; S502-A505 PolarHBondContact O-N 3.05Å; S502-V506 WeakPolarHBondContact O-CG2 3.3Å; S502-V506 PolarHBondContact O-N 2.94Å
503	T	84.4	Confident	83.5	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-49.8	172.8	49.3	0	0	0	0	111.5	E494 T499 F500 A505 V506 Y507 F527	E494-T503 HydrophobicContact CB-CG2 3.69Å; E494-T503 WeakPolarHBondContact O-CG2 3.45Å; T499-T503 PolarHBondContact O-N 3.22Å; T499-T503 VanDerWaalsContact O-N 3.08Å; T499-T503 PolarHBondContact O-OG1 3.08Å; F500-T503 WeakPolarHBondContact CA-OG1 3.31Å; F500-T503 PolarHBondContact O-OG1 2.81Å; T503-A505 VanDerWaalsContact C-N 3.32Å; T503-A505 PolarHBondContact O-N 3.49Å; T503-V506 WeakPolarHBondContact O-CB 3.48Å; T503-V506 PolarHBondContact O-N 2.72Å; T503-V506 VanDerWaalsContact O-N 3.08Å; T503-Y507 VanDerWaalsContact O-CD2 3.29Å; T503-Y507 WeakPolarHBondContact O-CD2 3.49Å; T503-Y507 PolarHBondContact O-N 2.94Å; T503-F527 HydrophobicContact CG2-CE1 4.42Å; T503-F527 HydrophobicContact CG2-CE2 4.17Å; T503-F527 HydrophobicContact CG2-CZ 3.81Å; T503-F527 WeakPolarHBondContact OG1-CE1 3.16Å; T503-F527 WeakPolarHBondContact OG1-CZ 3.26Å
504	K	86.4	Confident	83.4	Confident	49 Å²	49	56.5 Å²	56.5	21%	0.213	29%	0.29	C	S	.	.	H	α-helix	trans	-57.5	-45.9	176.8	-174.8	-176.5	174	178.7	0	111.6	F500 V506 Y507 D508 Y524 E536	F500-K504 HydrophobicContact CE1-CD 4.36Å; F500-K504 WeakPolarHBondContact O-CB 3.49Å; F500-K504 PolarHBondContact O-N 2.8Å; K504-V506 VanDerWaalsContact C-N 3.28Å; K504-V506 PolarHBondContact O-N 3.49Å; K504-Y507 PolarHBondContact O-N 2.92Å; K504-D508 WeakPolarHBondContact O-CB 3.23Å; K504-D508 PolarHBondContact O-N 3.43Å; K504-Y524 HydrophobicContact CG-CE2 4.19Å; K504-Y524 WeakPolarHBondContact CG-OH 3.32Å; K504-E536 WeakPolarHBondContact CE-OE2 3.5Å; K504-E536 IonicContact NZ-OE1 3.7Å; K504-E536 PolarHBondContact NZ-OE1 3.41Å; K504-E536 IonicContact NZ-OE2 2.69Å; K504-E536 PolarHBondContact NZ-OE2 2.98Å
505	A	86.8	Confident	83.1	Confident	36 Å²	36	58.1 Å²	58.1	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-33.7	177.3	0	0	0	0	0	112.7	Q501 S502 T503 R509	Q501-A505 VanDerWaalsContact O-CB 3.28Å; Q501-A505 WeakPolarHBondContact O-CB 3.28Å; Q501-A505 PolarHBondContact O-N 3.45Å; S502-A505 PolarHBondContact O-N 3.05Å; T503-A505 VanDerWaalsContact C-N 3.32Å; T503-A505 PolarHBondContact O-N 3.49Å; A505-R509 WeakPolarHBondContact O-CB 3.33Å; A505-R509 WeakPolarHBondContact O-CD 3.11Å; A505-R509 WeakPolarHBondContact O-CG 3.42Å; A505-R509 PolarHBondContact O-N 3.31Å; A505-R509 VanDerWaalsContact O-N 3.08Å
506	V	85.9	Confident	82.8	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-49.8	175.2	166.2	0	0	0	0	110.7	W487 L490 A491 E494 S502 T503 K504 D508 R509 I510	W487-V506 HydrophobicContact CE3-CG1 3.93Å; W487-V506 HydrophobicContact CZ3-CB 4.5Å; W487-V506 HydrophobicContact CZ3-CG1 3.98Å; L490-V506 HydrophobicContact CD2-CG1 4.23Å; L490-V506 HydrophobicContact CD2-CG2 4.01Å; L490-V506 HydrophobicContact CG-CG1 4.2Å; L490-V506 HydrophobicContact CG-CG2 4.21Å; A491-V506 HydrophobicContact CB-CG1 4.12Å; E494-V506 HydrophobicContact CG-CG2 4.12Å; S502-V506 WeakPolarHBondContact O-CG2 3.3Å; S502-V506 PolarHBondContact O-N 2.94Å; T503-V506 WeakPolarHBondContact O-CB 3.48Å; T503-V506 PolarHBondContact O-N 2.72Å; T503-V506 VanDerWaalsContact O-N 3.08Å; K504-V506 VanDerWaalsContact C-N 3.28Å; K504-V506 PolarHBondContact O-N 3.49Å; V506-D508 PolarHBondContact O-N 2.99Å; V506-R509 WeakPolarHBondContact O-CB 3.41Å; V506-R509 PolarHBondContact O-N 3.41Å; V506-I510 HydrophobicContact CG1-CD1 4.06Å; V506-I510 VanDerWaalsContact O-CG1 3.31Å; V506-I510 WeakPolarHBondContact O-CG1 3.38Å; V506-I510 PolarHBondContact O-N 3.28Å
507	Y	86.1	Confident	82.8	Confident	3 Å²	3	53.6 Å²	53.6	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-42.9	176.5	-76.7	-63.7	0	0	0	113.3	A491 E495 T503 K504 R509 I510 L511 I520 Y524	A491-Y507 HydrophobicContact CB-CE1 3.92Å; E495-Y507 HydrophobicContact CG-CE2 4Å; E495-Y507 WeakPolarHBondContact CG-OH 3.43Å; E495-Y507 PolarHBondContact OE1-OH 3.08Å; E495-Y507 PolarHBondContact OE2-OH 3.02Å; T503-Y507 VanDerWaalsContact O-CD2 3.29Å; T503-Y507 WeakPolarHBondContact O-CD2 3.49Å; T503-Y507 PolarHBondContact O-N 2.94Å; K504-Y507 PolarHBondContact O-N 2.92Å; Y507-R509 VanDerWaalsContact C-N 3.28Å; Y507-R509 PolarHBondContact O-N 3.31Å; Y507-I510 HydrophobicContact CD1-CD1 4.28Å; Y507-I510 PolarHBondContact O-N 3.49Å; Y507-I510 VanDerWaalsContact O-N 3.13Å; Y507-L511 WeakPolarHBondContact O-CG 3.45Å; Y507-L511 PolarHBondContact O-N 3.26Å; Y507-I520 HydrophobicContact CD1-CG2 3.93Å; Y507-I520 HydrophobicContact CE1-CG2 3.92Å; Y507-Y524 VanDerWaalsContact CB-CE2 3.49Å; Y507-Y524 VanDerWaalsContact CB-CG 3.44Å; Y507-Y524 HydrophobicContact CD1-CD2 4.23Å; Y507-Y524 HydrophobicContact CD1-CG 4.04Å; Y507-Y524 AromaticContact CD2-CD2 3.41Å; Y507-Y524 HydrophobicContact CD2-CD2 3.41Å; Y507-Y524 VanDerWaalsContact CD2-CD2 3.41Å; Y507-Y524 HydrophobicContact CD2-CE2 4.06Å; Y507-Y524 HydrophobicContact CD2-CG 4.07Å; Y507-Y524 HydrophobicContact CE2-CD2 4.33Å; Y507-Y524 HydrophobicContact CG-CD1 4.42Å; Y507-Y524 AromaticContact CG-CD2 3.37Å; Y507-Y524 HydrophobicContact CG-CD2 3.37Å; Y507-Y524 HydrophobicContact CG-CE2 4.05Å; Y507-Y524 AromaticContact CG-CG 3.59Å; Y507-Y524 HydrophobicContact CG-CG 3.59Å
508	D	86	Confident	83.1	Confident	39 Å²	39	51.6 Å²	51.6	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-39.6	175.8	-78.6	-26.8	0	0	0	111.2	K504 V506 L511 D512 Y524 R543	K504-D508 WeakPolarHBondContact O-CB 3.23Å; K504-D508 PolarHBondContact O-N 3.43Å; V506-D508 PolarHBondContact O-N 2.99Å; D508-L511 PolarHBondContact O-N 3.4Å; D508-D512 WeakPolarHBondContact O-CB 3.05Å; D508-D512 PolarHBondContact O-N 3.09Å; D508-Y524 VanDerWaalsContact CG-OH 3.24Å; D508-Y524 PolarHBondContact OD1-OH 3.43Å; D508-Y524 PolarHBondContact OD2-OH 3.29Å; D508-R543 IonicContact OD1-NH1 3.96Å; D508-R543 PolarHBondContact OD1-NH1 3.05Å
509	R	84.2	Confident	83.7	Confident	119 Å²	119	55.4 Å²	55.4	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-39.1	174.2	-74.5	170.7	-169.5	-177.8	4.4	112.7	W487 A505 V506 Y507 L511 D512 L513	W487-R509 HydrophobicContact CH2-CB 3.67Å; W487-R509 HydrophobicContact CH2-CG 4.41Å; W487-R509 HydrophobicContact CZ2-CB 4.44Å; W487-R509 HydrophobicContact CZ3-CB 3.96Å; A505-R509 WeakPolarHBondContact O-CB 3.33Å; A505-R509 WeakPolarHBondContact O-CD 3.11Å; A505-R509 WeakPolarHBondContact O-CG 3.42Å; A505-R509 PolarHBondContact O-N 3.31Å; A505-R509 VanDerWaalsContact O-N 3.08Å; V506-R509 WeakPolarHBondContact O-CB 3.41Å; V506-R509 PolarHBondContact O-N 3.41Å; Y507-R509 VanDerWaalsContact C-N 3.28Å; Y507-R509 PolarHBondContact O-N 3.31Å; R509-L511 VanDerWaalsContact C-N 3.29Å; R509-L511 PolarHBondContact O-N 3.15Å; R509-D512 PolarHBondContact O-N 3.37Å; R509-L513 WeakPolarHBondContact O-CB 3.45Å; R509-L513 VanDerWaalsContact O-CG 3.26Å; R509-L513 WeakPolarHBondContact O-CG 3.48Å; R509-L513 PolarHBondContact O-N 3.12Å
510	I	85.8	Confident	84	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-41.4	176.7	-65.3	166.5	0	0	0	110.4	W487 A491 V506 Y507 R514 I515 A516 I520	W487-I510 HydrophobicContact CB-CD1 3.92Å; W487-I510 HydrophobicContact CB-CG1 3.86Å; W487-I510 HydrophobicContact CD2-CD1 4.38Å; W487-I510 HydrophobicContact CD2-CG1 3.66Å; W487-I510 HydrophobicContact CE3-CD1 3.93Å; W487-I510 HydrophobicContact CE3-CG1 3.42Å; W487-I510 VanDerWaalsContact CE3-CG1 3.42Å; W487-I510 HydrophobicContact CG-CD1 4.42Å; W487-I510 HydrophobicContact CG-CG1 3.87Å; W487-I510 HydrophobicContact CZ3-CG1 4.2Å; A491-I510 HydrophobicContact CB-CD1 4.25Å; V506-I510 HydrophobicContact CG1-CD1 4.06Å; V506-I510 VanDerWaalsContact O-CG1 3.31Å; V506-I510 WeakPolarHBondContact O-CG1 3.38Å; V506-I510 PolarHBondContact O-N 3.28Å; Y507-I510 HydrophobicContact CD1-CD1 4.28Å; Y507-I510 PolarHBondContact O-N 3.49Å; Y507-I510 VanDerWaalsContact O-N 3.13Å; I510-R514 PolarHBondContact O-N 3.27Å; I510-I515 PolarHBondContact O-N 3.31Å; I510-A516 HydrophobicContact CG2-CB 3.99Å; I510-I520 HydrophobicContact CD1-CG2 4.48Å; I510-I520 HydrophobicContact CG2-CG2 4.12Å
511	L	84	Confident	84.2	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-44.5	174.8	-70.2	172.4	0	0	0	112	Y507 D508 R509 L513 R514 A516 V521 Y524 R543 L547	Y507-L511 WeakPolarHBondContact O-CG 3.45Å; Y507-L511 PolarHBondContact O-N 3.26Å; D508-L511 PolarHBondContact O-N 3.4Å; R509-L511 VanDerWaalsContact C-N 3.29Å; R509-L511 PolarHBondContact O-N 3.15Å; L511-L513 VanDerWaalsContact C-N 3.28Å; L511-L513 PolarHBondContact O-N 3.42Å; L511-R514 PolarHBondContact O-N 3.2Å; L511-A516 HydrophobicContact CD2-CB 3.91Å; L511-V521 HydrophobicContact CD2-CG2 3.93Å; L511-Y524 HydrophobicContact CD1-CD1 3.82Å; L511-Y524 HydrophobicContact CD1-CE1 3.74Å; L511-R543 HydrophobicContact CD1-CB 4.35Å; L511-L547 HydrophobicContact CB-CD1 4.49Å; L511-L547 HydrophobicContact CD2-CD1 3.66Å
512	D	84.9	Confident	84.3	Confident	103 Å²	103	43.1 Å²	43.1	55%	0.551	21%	0.211	S	C	*	.	H	α-helix	trans	-60.8	-37.6	178.1	-72.2	-19.2	0	0	0	112.2	D508 R509 R514 R543	D508-D512 WeakPolarHBondContact O-CB 3.05Å; D508-D512 PolarHBondContact O-N 3.09Å; R509-D512 PolarHBondContact O-N 3.37Å; D512-R514 PolarHBondContact O-N 2.88Å; D512-R543 IonicContact OD1-CZ 3.49Å; D512-R543 IonicContact OD1-NH1 2.73Å; D512-R543 IonicContact OD1-NH2 3.86Å; D512-R543 PolarHBondContact OD1-NH2 3.09Å
513	L	81.9	Confident	84.5	Confident	40 Å²	40	43.7 Å²	43.7	21%	0.209	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.8	176.8	-70.8	174.2	0	0	0	113.6	L462 Y481 W487 R509 L511 I515	L462-L513 HydrophobicContact CD2-CD2 4.01Å; Y481-L513 HydrophobicContact CD2-CD1 4.22Å; Y481-L513 HydrophobicContact CD2-CD2 3.79Å; Y481-L513 HydrophobicContact CE2-CD2 3.66Å; Y481-L513 WeakPolarHBondContact O-CD1 3.24Å; W487-L513 HydrophobicContact CH2-CD1 4.49Å; W487-L513 HydrophobicContact CZ2-CD1 3.49Å; W487-L513 VanDerWaalsContact CZ2-CD1 3.49Å; R509-L513 WeakPolarHBondContact O-CB 3.45Å; R509-L513 VanDerWaalsContact O-CG 3.26Å; R509-L513 WeakPolarHBondContact O-CG 3.48Å; R509-L513 PolarHBondContact O-N 3.12Å; L511-L513 VanDerWaalsContact C-N 3.28Å; L511-L513 PolarHBondContact O-N 3.42Å; L513-I515 VanDerWaalsContact C-N 3.3Å; L513-I515 HydrophobicContact CB-CD1 3.45Å; L513-I515 VanDerWaalsContact CB-CD1 3.45Å; L513-I515 HydrophobicContact CB-CG1 3.79Å; L513-I515 HydrophobicContact CD1-CD1 3.82Å; L513-I515 HydrophobicContact CG-CD1 4.22Å; L513-I515 PolarHBondContact O-N 3.46Å
514	R	80.9	Confident	84.6	Confident	205 Å²	205	43.9 Å²	43.9	77%	0.774	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	33.4	-177.5	-50.9	-173	175.9	-179.3	-3.3	114.4	I510 L511 D512 L547	I510-R514 PolarHBondContact O-N 3.27Å; L511-R514 PolarHBondContact O-N 3.2Å; D512-R514 PolarHBondContact O-N 2.88Å; R514-L547 HydrophobicContact CB-CD2 4.31Å; R514-L547 HydrophobicContact CG-CD2 3.79Å
515	I	77.1	Confident	84.6	Confident	36 Å²	36	41.6 Å²	41.6	19%	0.185	20%	0.203	C	C	.	.			trans	-103.6	-6	179.7	-42	154.2	0	0	0	110.9	K482 L484 I510 L513 T517	K482-I515 HydrophobicContact CB-CD1 4.24Å; K482-I515 HydrophobicContact CG-CD1 4.41Å; K482-I515 WeakPolarHBondContact O-CD1 3.45Å; K482-I515 WeakPolarHBondContact O-CG2 3.17Å; L484-I515 HydrophobicContact CB-CG2 3.8Å; L484-I515 HydrophobicContact CD1-CG2 4Å; L484-I515 VanDerWaalsContact CD1-O 3.25Å; L484-I515 WeakPolarHBondContact CD1-O 3.32Å; L484-I515 HydrophobicContact CG-CG2 4.44Å; I510-I515 PolarHBondContact O-N 3.31Å; L513-I515 VanDerWaalsContact C-N 3.3Å; L513-I515 HydrophobicContact CB-CD1 3.45Å; L513-I515 VanDerWaalsContact CB-CD1 3.45Å; L513-I515 HydrophobicContact CB-CG1 3.79Å; L513-I515 HydrophobicContact CD1-CD1 3.82Å; L513-I515 HydrophobicContact CG-CD1 4.22Å; L513-I515 PolarHBondContact O-N 3.46Å; I515-T517 PolarHBondContact O-N 3.37Å
516	A	78.2	Confident	84.7	Confident	10 Å²	10	43.1 Å²	43.1	8%	0.083	21%	0.205	C	C	.	.			trans	-55.3	141	-177.6	0	0	0	0	0	111.7	I510 L511 V521 F548	I510-A516 HydrophobicContact CG2-CB 3.99Å; L511-A516 HydrophobicContact CD2-CB 3.91Å; A516-V521 HydrophobicContact CB-CG2 4.09Å; A516-F548 HydrophobicContact CB-CZ 4.44Å; A516-F548 WeakPolarHBondContact O-CE1 3.35Å; A516-F548 WeakPolarHBondContact O-CZ 3.41Å
517	T	84.1	Confident	84.7	Confident	51 Å²	51	43.5 Å²	43.5	31%	0.313	21%	0.206	S	C	.	.			trans	-91.8	157.2	161.2	51.9	0	0	0	0	109.3	L484 I515 Q519 I520 V521	L484-T517 HydrophobicContact CD2-CG2 3.5Å; L484-T517 VanDerWaalsContact CD2-CG2 3.5Å; I515-T517 PolarHBondContact O-N 3.37Å; T517-Q519 PolarHBondContact O-N 2.88Å; T517-Q519 VanDerWaalsContact O-N 3.16Å; T517-I520 PolarHBondContact O-N 3.09Å; T517-I520 WeakPolarHBondContact OG1-CD1 3.46Å; T517-I520 WeakPolarHBondContact OG1-CG1 3.42Å; T517-I520 PolarHBondContact OG1-N 3.24Å; T517-V521 PolarHBondContact O-N 3.36Å; T517-V521 VanDerWaalsContact O-N 3.16Å
518	P	83.7	Confident	84.8	Confident	28 Å²	28	43.3 Å²	43.3	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-52.5	-36.7	174.7	-28	35.8	0	0	0	112.4	I520 V521 I522 F548 N552 I556	P518-I520 PolarHBondContact O-N 3.29Å; P518-V521 WeakPolarHBondContact O-CB 3.41Å; P518-V521 PolarHBondContact O-N 2.72Å; P518-I522 VanDerWaalsContact O-CG1 3.28Å; P518-I522 WeakPolarHBondContact O-CG1 3.2Å; P518-I522 PolarHBondContact O-N 3.5Å; P518-F548 HydrophobicContact CG-CD1 4.33Å; P518-F548 HydrophobicContact CG-CD2 4.41Å; P518-F548 HydrophobicContact CG-CE1 4.07Å; P518-F548 HydrophobicContact CG-CE2 4.15Å; P518-F548 HydrophobicContact CG-CG 4.5Å; P518-F548 HydrophobicContact CG-CZ 3.98Å; P518-N552 HydrophobicContact CG-CB 4.01Å; P518-I556 HydrophobicContact CB-CD1 4.06Å; P518-I556 HydrophobicContact CB-CG1 4.16Å
519	Q	85.8	Confident	84.8	Confident	109 Å²	109	44 Å²	44	51%	0.509	21%	0.207	S	C	.	.	H	α-helix	trans	-62	-42.2	175.4	-171.5	61	42.2	0	0	113.1	T517 V521 I522 N523	T517-Q519 PolarHBondContact O-N 2.88Å; T517-Q519 VanDerWaalsContact O-N 3.16Å; Q519-V521 VanDerWaalsContact C-N 3.29Å; Q519-V521 PolarHBondContact O-N 2.94Å; Q519-I522 PolarHBondContact O-N 3.13Å; Q519-N523 PolarHBondContact NE2-OD1 3.41Å; Q519-N523 WeakPolarHBondContact O-CB 3.22Å; Q519-N523 VanDerWaalsContact O-CG 3.26Å; Q519-N523 PolarHBondContact O-N 3Å; Q519-N523 PolarHBondContact O-OD1 2.94Å
520	I	86.3	Confident	84.9	Confident	17 Å²	17	45.7 Å²	45.7	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-36.8	177.3	-72.1	168.4	0	0	0	110.8	L484 Y507 I510 T517 P518 N523 Y524	L484-I520 HydrophobicContact CD1-CD1 3.3Å; L484-I520 HydrophobicContact CD2-CD1 4.39Å; L484-I520 HydrophobicContact CG-CD1 4.12Å; Y507-I520 HydrophobicContact CD1-CG2 3.93Å; Y507-I520 HydrophobicContact CE1-CG2 3.92Å; I510-I520 HydrophobicContact CD1-CG2 4.48Å; I510-I520 HydrophobicContact CG2-CG2 4.12Å; T517-I520 PolarHBondContact O-N 3.09Å; T517-I520 WeakPolarHBondContact OG1-CD1 3.46Å; T517-I520 WeakPolarHBondContact OG1-CG1 3.42Å; T517-I520 PolarHBondContact OG1-N 3.24Å; P518-I520 PolarHBondContact O-N 3.29Å; I520-N523 PolarHBondContact O-N 2.92Å; I520-Y524 WeakPolarHBondContact O-CB 3.31Å; I520-Y524 PolarHBondContact O-N 3.37Å
521	V	87.4	Confident	84.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-44.4	174.3	179.8	0	0	0	0	110.8	L511 A516 T517 P518 Q519 Y524 A525 F548	L511-V521 HydrophobicContact CD2-CG2 3.93Å; A516-V521 HydrophobicContact CB-CG2 4.09Å; T517-V521 PolarHBondContact O-N 3.36Å; T517-V521 VanDerWaalsContact O-N 3.16Å; P518-V521 WeakPolarHBondContact O-CB 3.41Å; P518-V521 PolarHBondContact O-N 2.72Å; Q519-V521 VanDerWaalsContact C-N 3.29Å; Q519-V521 PolarHBondContact O-N 2.94Å; V521-Y524 PolarHBondContact O-N 3.44Å; V521-A525 WeakPolarHBondContact O-CB 3.17Å; V521-A525 PolarHBondContact O-N 3.36Å; V521-F548 HydrophobicContact CG2-CE2 3.81Å; V521-F548 HydrophobicContact CG2-CZ 4.42Å
522	I	87.2	Confident	84.8	Confident	21 Å²	21	57.3 Å²	57.3	11%	0.108	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-45.1	176.9	-65.8	164	0	0	0	110.1	P518 Q519 A525 M526	P518-I522 VanDerWaalsContact O-CG1 3.28Å; P518-I522 WeakPolarHBondContact O-CG1 3.2Å; P518-I522 PolarHBondContact O-N 3.5Å; Q519-I522 PolarHBondContact O-N 3.13Å; I522-A525 PolarHBondContact O-N 2.94Å; I522-M526 HydrophobicContact CG2-CE 4.01Å; I522-M526 HydrophobicContact CG2-CG 4.31Å; I522-M526 HydrophobicContact CG2-SD 4.1Å; I522-M526 WeakPolarHBondContact O-CB 3.3Å; I522-M526 VanDerWaalsContact O-CG 3.26Å; I522-M526 WeakPolarHBondContact O-CG 3.46Å; I522-M526 PolarHBondContact O-N 3.19Å
523	N	87.4	Confident	84.8	Confident	37 Å²	37	57.7 Å²	57.7	20%	0.198	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-47.2	176	-69.6	5	0	0	0	111.6	Q519 I520 A525 M526 F527	Q519-N523 PolarHBondContact NE2-OD1 3.41Å; Q519-N523 WeakPolarHBondContact O-CB 3.22Å; Q519-N523 VanDerWaalsContact O-CG 3.26Å; Q519-N523 PolarHBondContact O-N 3Å; Q519-N523 PolarHBondContact O-OD1 2.94Å; I520-N523 PolarHBondContact O-N 2.92Å; N523-A525 VanDerWaalsContact C-N 3.3Å; N523-A525 PolarHBondContact O-N 3.49Å; N523-M526 PolarHBondContact O-N 3.14Å; N523-M526 WeakPolarHBondContact OD1-CE 3.39Å; N523-F527 WeakPolarHBondContact O-CB 3.25Å; N523-F527 PolarHBondContact O-N 2.95Å
524	Y	86.7	Confident	84.8	Confident	6 Å²	6	57.8 Å²	57.8	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-43.6	176.5	179.9	-146.2	0	0	0	112	K504 Y507 D508 L511 I520 V521 F527 L528 A540	K504-Y524 HydrophobicContact CG-CE2 4.19Å; K504-Y524 WeakPolarHBondContact CG-OH 3.32Å; Y507-Y524 VanDerWaalsContact CB-CE2 3.49Å; Y507-Y524 VanDerWaalsContact CB-CG 3.44Å; Y507-Y524 HydrophobicContact CD1-CD2 4.23Å; Y507-Y524 HydrophobicContact CD1-CG 4.04Å; Y507-Y524 AromaticContact CD2-CD2 3.41Å; Y507-Y524 HydrophobicContact CD2-CD2 3.41Å; Y507-Y524 VanDerWaalsContact CD2-CD2 3.41Å; Y507-Y524 HydrophobicContact CD2-CE2 4.06Å; Y507-Y524 HydrophobicContact CD2-CG 4.07Å; Y507-Y524 HydrophobicContact CE2-CD2 4.33Å; Y507-Y524 HydrophobicContact CG-CD1 4.42Å; Y507-Y524 AromaticContact CG-CD2 3.37Å; Y507-Y524 HydrophobicContact CG-CD2 3.37Å; Y507-Y524 HydrophobicContact CG-CE2 4.05Å; Y507-Y524 AromaticContact CG-CG 3.59Å; Y507-Y524 HydrophobicContact CG-CG 3.59Å; D508-Y524 VanDerWaalsContact CG-OH 3.24Å; D508-Y524 PolarHBondContact OD1-OH 3.43Å; D508-Y524 PolarHBondContact OD2-OH 3.29Å; L511-Y524 HydrophobicContact CD1-CD1 3.82Å; L511-Y524 HydrophobicContact CD1-CE1 3.74Å; I520-Y524 WeakPolarHBondContact O-CB 3.31Å; I520-Y524 PolarHBondContact O-N 3.37Å; V521-Y524 PolarHBondContact O-N 3.44Å; Y524-F527 PolarHBondContact O-N 3.38Å; Y524-L528 HydrophobicContact CD1-CD1 4.44Å; Y524-L528 HydrophobicContact CD2-CD1 3.91Å; Y524-L528 HydrophobicContact CD2-CG 4.01Å; Y524-L528 HydrophobicContact CE1-CD1 4.1Å; Y524-L528 HydrophobicContact CE2-CD1 3.5Å; Y524-L528 HydrophobicContact CE2-CD2 4.04Å; Y524-L528 HydrophobicContact CE2-CG 3.74Å; Y524-L528 HydrophobicContact CG-CD1 4.37Å; Y524-L528 VanDerWaalsContact O-CG 3.29Å; Y524-L528 WeakPolarHBondContact O-CG 3.44Å; Y524-L528 PolarHBondContact O-N 3.17Å; Y524-A540 HydrophobicContact CD1-CB 3.42Å; Y524-A540 VanDerWaalsContact CD1-CB 3.42Å; Y524-A540 HydrophobicContact CE1-CB 3.57Å; Y524-A540 HydrophobicContact CG-CB 4.26Å
525	A	87.2	Confident	84.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-36.3	179	0	0	0	0	0	112.4	V521 I522 N523 E529 S537 A540 Y541	V521-A525 WeakPolarHBondContact O-CB 3.17Å; V521-A525 PolarHBondContact O-N 3.36Å; I522-A525 PolarHBondContact O-N 2.94Å; N523-A525 VanDerWaalsContact C-N 3.3Å; N523-A525 PolarHBondContact O-N 3.49Å; A525-E529 WeakPolarHBondContact O-CB 3.48Å; A525-E529 PolarHBondContact O-N 3.43Å; A525-S537 WeakPolarHBondContact O-CB 3.39Å; A525-S537 PolarHBondContact O-OG 3.33Å; A525-A540 HydrophobicContact CB-CB 4.39Å; A525-Y541 HydrophobicContact CB-CD1 3.94Å; A525-Y541 HydrophobicContact CB-CD2 3.94Å; A525-Y541 HydrophobicContact CB-CE1 3.47Å; A525-Y541 VanDerWaalsContact CB-CE1 3.47Å; A525-Y541 HydrophobicContact CB-CE2 3.46Å; A525-Y541 VanDerWaalsContact CB-CE2 3.46Å; A525-Y541 HydrophobicContact CB-CG 4.16Å
526	M	87.3	Confident	85.3	Confident	68 Å²	68	52.3 Å²	52.3	34%	0.335	25%	0.247	S	C	.	.	H	α-helix	trans	-67	-44	172.7	-71.8	-172.2	-51.9	0	0	111.5	I522 N523 L528 E529 E530	I522-M526 HydrophobicContact CG2-CE 4.01Å; I522-M526 HydrophobicContact CG2-CG 4.31Å; I522-M526 HydrophobicContact CG2-SD 4.1Å; I522-M526 WeakPolarHBondContact O-CB 3.3Å; I522-M526 VanDerWaalsContact O-CG 3.26Å; I522-M526 WeakPolarHBondContact O-CG 3.46Å; I522-M526 PolarHBondContact O-N 3.19Å; N523-M526 PolarHBondContact O-N 3.14Å; N523-M526 WeakPolarHBondContact OD1-CE 3.39Å; M526-L528 VanDerWaalsContact C-N 3.32Å; M526-L528 PolarHBondContact O-N 2.95Å; M526-E529 CarbonylContact O-C 3.57Å; M526-E529 WeakPolarHBondContact O-CA 3.3Å; M526-E529 VanDerWaalsContact O-CB 3.29Å; M526-E529 WeakPolarHBondContact O-CB 3.46Å; M526-E529 PolarHBondContact O-N 3.4Å; M526-E530 WeakPolarHBondContact O-CG 3.27Å; M526-E530 PolarHBondContact O-N 2.92Å
527	F	86.7	Confident	85.7	Confident	14 Å²	14	52 Å²	52	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-45.9	174.9	176.7	-95.8	0	0	0	111.4	E495 F500 T503 N523 Y524 E529 E530 H531	E495-F527 HydrophobicContact CG-CD2 3.98Å; E495-F527 HydrophobicContact CG-CE2 4.29Å; F500-F527 AromaticContact CD2-CE1 3.69Å; F500-F527 HydrophobicContact CD2-CE1 3.69Å; F500-F527 HydrophobicContact CD2-CZ 4.02Å; F500-F527 AromaticContact CE2-CE1 3.87Å; F500-F527 HydrophobicContact CE2-CE1 3.87Å; T503-F527 HydrophobicContact CG2-CE1 4.42Å; T503-F527 HydrophobicContact CG2-CE2 4.17Å; T503-F527 HydrophobicContact CG2-CZ 3.81Å; T503-F527 WeakPolarHBondContact OG1-CE1 3.16Å; T503-F527 WeakPolarHBondContact OG1-CZ 3.26Å; N523-F527 WeakPolarHBondContact O-CB 3.25Å; N523-F527 PolarHBondContact O-N 2.95Å; Y524-F527 PolarHBondContact O-N 3.38Å; F527-E529 VanDerWaalsContact C-N 3.31Å; F527-E529 PolarHBondContact O-N 2.8Å; F527-E530 PolarHBondContact O-N 3.07Å; F527-H531 AromaticContact CD2-CD2 3.96Å; F527-H531 AromaticContact CD2-NE2 3.98Å; F527-H531 AromaticContact CE1-CD2 3.62Å; F527-H531 AromaticContact CE1-NE2 3.97Å; F527-H531 AromaticContact CE2-CD2 3.52Å; F527-H531 AromaticContact CE2-NE2 3.19Å; F527-H531 WeakPolarHBondContact CE2-NE2 3.25Å; F527-H531 AromaticContact CZ-CD2 3.31Å; F527-H531 WeakPolarHBondContact CZ-CD2 3.2Å; F527-H531 AromaticContact CZ-NE2 3.15Å; F527-H531 WeakPolarHBondContact CZ-NE2 3.24Å; F527-H531 PolarHBondContact O-CD2 2.87Å; F527-H531 PolarHBondContact O-N 2.72Å
528	L	87.8	Confident	85.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-33.1	174.9	-68.6	173.2	0	0	0	112.6	F500 Y524 M526 K532 Y533 E536 A540	F500-L528 HydrophobicContact CE2-CD2 3.83Å; F500-L528 HydrophobicContact CZ-CD2 3.69Å; Y524-L528 HydrophobicContact CD1-CD1 4.44Å; Y524-L528 HydrophobicContact CD2-CD1 3.91Å; Y524-L528 HydrophobicContact CD2-CG 4.01Å; Y524-L528 HydrophobicContact CE1-CD1 4.1Å; Y524-L528 HydrophobicContact CE2-CD1 3.5Å; Y524-L528 HydrophobicContact CE2-CD2 4.04Å; Y524-L528 HydrophobicContact CE2-CG 3.74Å; Y524-L528 HydrophobicContact CG-CD1 4.37Å; Y524-L528 VanDerWaalsContact O-CG 3.29Å; Y524-L528 WeakPolarHBondContact O-CG 3.44Å; Y524-L528 PolarHBondContact O-N 3.17Å; M526-L528 VanDerWaalsContact C-N 3.32Å; M526-L528 PolarHBondContact O-N 2.95Å; L528-K532 PolarHBondContact O-N 3.12Å; L528-Y533 WeakPolarHBondContact O-CA 3.43Å; L528-Y533 PolarHBondContact O-N 2.88Å; L528-E536 HydrophobicContact CD1-CB 3.95Å; L528-E536 HydrophobicContact CD2-CB 4.27Å; L528-A540 HydrophobicContact CD1-CB 4.04Å
529	E	86.5	Confident	86	Confident	54 Å²	54	54.5 Å²	54.5	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-66.4	-45.9	175.2	-169.3	-173.4	168.9	0	0	111.6	A525 M526 F527 H531 K532 F534 K563	A525-E529 WeakPolarHBondContact O-CB 3.48Å; A525-E529 PolarHBondContact O-N 3.43Å; M526-E529 CarbonylContact O-C 3.57Å; M526-E529 WeakPolarHBondContact O-CA 3.3Å; M526-E529 VanDerWaalsContact O-CB 3.29Å; M526-E529 WeakPolarHBondContact O-CB 3.46Å; M526-E529 PolarHBondContact O-N 3.4Å; F527-E529 VanDerWaalsContact C-N 3.31Å; F527-E529 PolarHBondContact O-N 2.8Å; E529-H531 VanDerWaalsContact C-N 3.29Å; E529-H531 PolarHBondContact O-N 3.48Å; E529-K532 WeakPolarHBondContact O-CA 3.14Å; E529-K532 PolarHBondContact O-N 3Å; E529-F534 HydrophobicContact CG-CD1 4.08Å; E529-F534 HydrophobicContact CG-CE1 3.78Å; E529-K563 VanDerWaalsContact CD-NZ 3.3Å; E529-K563 IonicContact OE1-NZ 2.67Å; E529-K563 PolarHBondContact OE1-NZ 2.94Å; E529-K563 WeakPolarHBondContact OE2-CD 3.39Å; E529-K563 WeakPolarHBondContact OE2-CE 3.35Å; E529-K563 IonicContact OE2-NZ 3.96Å; E529-K563 PolarHBondContact OE2-NZ 3.03Å
530	E	86.4	Confident	86	Confident	153 Å²	153	49.4 Å²	49.4	72%	0.715	23%	0.225	S	C	*	.	H	α-helix	trans	-59.6	-40	177.8	-72.4	-177.8	175.1	0	0	111.8	M526 F527 K532	M526-E530 WeakPolarHBondContact O-CG 3.27Å; M526-E530 PolarHBondContact O-N 2.92Å; F527-E530 PolarHBondContact O-N 3.07Å; E530-K532 PolarHBondContact O-N 3.25Å
531	H	84.3	Confident	86	Confident	87 Å²	87	48.6 Å²	48.6	40%	0.403	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	4.9	174.6	-71.2	-67.9	0	0	0	114.6	F500 F527 E529 Y533	F500-H531 HydrophobicContact CD2-CB 3.78Å; F500-H531 AromaticContact CD2-CD2 3.52Å; F500-H531 AromaticContact CD2-CG 3.53Å; F500-H531 HydrophobicContact CE2-CB 3.58Å; F500-H531 AromaticContact CE2-CD2 3.89Å; F500-H531 AromaticContact CE2-CG 3.83Å; F527-H531 AromaticContact CD2-CD2 3.96Å; F527-H531 AromaticContact CD2-NE2 3.98Å; F527-H531 AromaticContact CE1-CD2 3.62Å; F527-H531 AromaticContact CE1-NE2 3.97Å; F527-H531 AromaticContact CE2-CD2 3.52Å; F527-H531 AromaticContact CE2-NE2 3.19Å; F527-H531 WeakPolarHBondContact CE2-NE2 3.25Å; F527-H531 AromaticContact CZ-CD2 3.31Å; F527-H531 WeakPolarHBondContact CZ-CD2 3.2Å; F527-H531 AromaticContact CZ-NE2 3.15Å; F527-H531 WeakPolarHBondContact CZ-NE2 3.24Å; F527-H531 PolarHBondContact O-CD2 2.87Å; F527-H531 PolarHBondContact O-N 2.72Å; E529-H531 VanDerWaalsContact C-N 3.29Å; E529-H531 PolarHBondContact O-N 3.48Å; H531-Y533 VanDerWaalsContact C-N 3.27Å; H531-Y533 HydrophobicContact CB-CD2 3.74Å; H531-Y533 HydrophobicContact CB-CE2 4.14Å; H531-Y533 VanDerWaalsContact O-CD2 3.32Å; H531-Y533 WeakPolarHBondContact O-CD2 3.19Å; H531-Y533 PolarHBondContact O-N 3.18Å
532	K	83.1	Confident	86	Confident	163 Å²	163	52.4 Å²	52.4	71%	0.709	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	17.8	179	-52.6	174.2	-177.7	172.3	0	115.1	L528 E529 E530 F534	L528-K532 PolarHBondContact O-N 3.12Å; E529-K532 WeakPolarHBondContact O-CA 3.14Å; E529-K532 PolarHBondContact O-N 3Å; E530-K532 PolarHBondContact O-N 3.25Å; K532-F534 VanDerWaalsContact C-N 3.29Å; K532-F534 HydrophobicContact CB-CE2 3.79Å; K532-F534 HydrophobicContact CB-CZ 4.16Å; K532-F534 HydrophobicContact CG-CE2 4.37Å; K532-F534 HydrophobicContact CG-CZ 4.35Å; K532-F534 WeakPolarHBondContact O-CD2 3.2Å; K532-F534 WeakPolarHBondContact O-CE2 3.14Å; K532-F534 PolarHBondContact O-N 3.42Å
533	Y	84.5	Confident	85.8	Confident	111 Å²	111	55.6 Å²	55.6	44%	0.435	25%	0.249	S	C	.	.			trans	-88.4	62.2	173.1	-68.9	-84.4	0	0	0	111.3	F500 L528 H531 E535 E536 S537	F500-Y533 AromaticContact CD1-CE2 3.93Å; F500-Y533 HydrophobicContact CD1-CE2 3.93Å; F500-Y533 HydrophobicContact CD2-CD2 4.33Å; F500-Y533 HydrophobicContact CD2-CE2 4.18Å; F500-Y533 AromaticContact CE1-CD2 3.71Å; F500-Y533 HydrophobicContact CE1-CD2 3.71Å; F500-Y533 HydrophobicContact CE1-CE1 4.28Å; F500-Y533 AromaticContact CE1-CE2 3.39Å; F500-Y533 HydrophobicContact CE1-CE2 3.39Å; F500-Y533 HydrophobicContact CE1-CG 4.26Å; F500-Y533 AromaticContact CE1-CZ 3.7Å; F500-Y533 AromaticContact CE2-CD2 3.43Å; F500-Y533 HydrophobicContact CE2-CD2 3.43Å; F500-Y533 VanDerWaalsContact CE2-CD2 3.43Å; F500-Y533 AromaticContact CE2-CE2 3.68Å; F500-Y533 HydrophobicContact CE2-CE2 3.68Å; F500-Y533 HydrophobicContact CE2-CG 4.32Å; F500-Y533 HydrophobicContact CG-CE2 4.3Å; F500-Y533 HydrophobicContact CZ-CD1 4.3Å; F500-Y533 AromaticContact CZ-CD2 3.06Å; F500-Y533 HydrophobicContact CZ-CD2 3.06Å; F500-Y533 HydrophobicContact CZ-CE1 4.46Å; F500-Y533 AromaticContact CZ-CE2 3.26Å; F500-Y533 HydrophobicContact CZ-CE2 3.26Å; F500-Y533 AromaticContact CZ-CG 3.64Å; F500-Y533 HydrophobicContact CZ-CG 3.64Å; F500-Y533 AromaticContact CZ-CZ 3.98Å; L528-Y533 WeakPolarHBondContact O-CA 3.43Å; L528-Y533 PolarHBondContact O-N 2.88Å; H531-Y533 VanDerWaalsContact C-N 3.27Å; H531-Y533 HydrophobicContact CB-CD2 3.74Å; H531-Y533 HydrophobicContact CB-CE2 4.14Å; H531-Y533 VanDerWaalsContact O-CD2 3.32Å; H531-Y533 WeakPolarHBondContact O-CD2 3.19Å; H531-Y533 PolarHBondContact O-N 3.18Å; Y533-E535 PolarHBondContact O-N 3.22Å; Y533-E536 PolarHBondContact O-N 3.26Å; Y533-E536 VanDerWaalsContact O-N 3.1Å; Y533-S537 PolarHBondContact O-N 3.32Å
534	F	81.6	Confident	85.7	Confident	42 Å²	42	53.8 Å²	53.8	18%	0.184	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-40.6	-172.9	-55.6	-75.5	0	0	0	114	E529 K532 E536 S537 F538 R567	E529-F534 HydrophobicContact CG-CD1 4.08Å; E529-F534 HydrophobicContact CG-CE1 3.78Å; K532-F534 VanDerWaalsContact C-N 3.29Å; K532-F534 HydrophobicContact CB-CE2 3.79Å; K532-F534 HydrophobicContact CB-CZ 4.16Å; K532-F534 HydrophobicContact CG-CE2 4.37Å; K532-F534 HydrophobicContact CG-CZ 4.35Å; K532-F534 WeakPolarHBondContact O-CD2 3.2Å; K532-F534 WeakPolarHBondContact O-CE2 3.14Å; K532-F534 PolarHBondContact O-N 3.42Å; F534-E536 VanDerWaalsContact C-N 3.25Å; F534-E536 PolarHBondContact O-N 3.4Å; F534-S537 WeakPolarHBondContact O-CB 3.15Å; F534-S537 PolarHBondContact O-N 3.3Å; F534-F538 HydrophobicContact CB-CE2 4.15Å; F534-F538 WeakPolarHBondContact O-CD2 3.5Å; F534-F538 VanDerWaalsContact O-CG 3.26Å; F534-F538 WeakPolarHBondContact O-CG 3.5Å; F534-F538 PolarHBondContact O-N 3.03Å; F534-R567 VanDerWaalsContact CE2-NH2 3.28Å
535	E	84.2	Confident	85.5	Confident	74 Å²	74	55 Å²	55	35%	0.346	25%	0.246	S	C	.	.	H	α-helix	trans	-68	-27.3	178	-67.7	-71.9	177.2	0	0	112.1	Y533 K539 Y568 K572 R575	Y533-E535 PolarHBondContact O-N 3.22Å; E535-K539 WeakPolarHBondContact O-CG 3.19Å; E535-K539 PolarHBondContact O-N 3.31Å; E535-K539 VanDerWaalsContact O-N 3.17Å; E535-Y568 PolarHBondContact OE1-OH 3.18Å; E535-K572 IonicContact OE1-NZ 3.78Å; E535-K572 PolarHBondContact OE1-NZ 3.17Å; E535-R575 IonicContact OE1-NH1 3.97Å; E535-R575 PolarHBondContact OE1-NH1 3.26Å; E535-R575 VanDerWaalsContact OE1-NH1 3.07Å; E535-R575 IonicContact OE2-CZ 3.78Å; E535-R575 IonicContact OE2-NH1 2.76Å; E535-R575 PolarHBondContact OE2-NH1 2.96Å; E535-R575 IonicContact OE2-NH2 2.72Å; E535-R575 PolarHBondContact OE2-NH2 3.41Å
536	E	85.1	Confident	85.2	Confident	53 Å²	53	59.5 Å²	59.5	25%	0.248	28%	0.277	C	S	.	.	H	α-helix	trans	-77.3	-36.9	173.1	-55.7	-163.6	148.8	0	0	111.2	K504 L528 Y533 F534 F538 K539 A540	K504-E536 WeakPolarHBondContact CE-OE2 3.5Å; K504-E536 IonicContact NZ-OE1 3.7Å; K504-E536 PolarHBondContact NZ-OE1 3.41Å; K504-E536 IonicContact NZ-OE2 2.69Å; K504-E536 PolarHBondContact NZ-OE2 2.98Å; L528-E536 HydrophobicContact CD1-CB 3.95Å; L528-E536 HydrophobicContact CD2-CB 4.27Å; Y533-E536 PolarHBondContact O-N 3.26Å; Y533-E536 VanDerWaalsContact O-N 3.1Å; F534-E536 VanDerWaalsContact C-N 3.25Å; F534-E536 PolarHBondContact O-N 3.4Å; E536-F538 VanDerWaalsContact C-N 3.3Å; E536-F538 PolarHBondContact O-N 2.76Å; E536-K539 CarbonylContact O-C 3.48Å; E536-K539 WeakPolarHBondContact O-CB 3.46Å; E536-K539 PolarHBondContact O-N 2.78Å; E536-A540 PolarHBondContact O-N 3.46Å
537	S	87.2	Confident	84.9	Confident	3 Å²	3	59 Å²	59	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-43.9	172.1	179.6	0	0	0	0	111.1	A525 Y533 F534 A540 Y541	A525-S537 WeakPolarHBondContact O-CB 3.39Å; A525-S537 PolarHBondContact O-OG 3.33Å; Y533-S537 PolarHBondContact O-N 3.32Å; F534-S537 WeakPolarHBondContact O-CB 3.15Å; F534-S537 PolarHBondContact O-N 3.3Å; S537-A540 WeakPolarHBondContact O-CB 3.31Å; S537-A540 PolarHBondContact O-N 3.19Å; S537-A540 VanDerWaalsContact O-N 3.13Å; S537-Y541 VanDerWaalsContact O-CD2 3.23Å; S537-Y541 WeakPolarHBondContact O-CD2 3.28Å; S537-Y541 PolarHBondContact O-N 3.36Å
538	F	86.4	Confident	84.6	Confident	5 Å²	5	60.2 Å²	60.2	2%	0.022	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-40.3	174.5	-58.8	-38.5	0	0	0	112.9	F534 E536 A540 Y541 E542 Y560 F564 Y568	F534-F538 HydrophobicContact CB-CE2 4.15Å; F534-F538 WeakPolarHBondContact O-CD2 3.5Å; F534-F538 VanDerWaalsContact O-CG 3.26Å; F534-F538 WeakPolarHBondContact O-CG 3.5Å; F534-F538 PolarHBondContact O-N 3.03Å; E536-F538 VanDerWaalsContact C-N 3.3Å; E536-F538 PolarHBondContact O-N 2.76Å; F538-A540 VanDerWaalsContact C-N 3.29Å; F538-A540 PolarHBondContact O-N 2.73Å; F538-Y541 HydrophobicContact CD1-CD2 4.33Å; F538-Y541 PolarHBondContact O-N 3.47Å; F538-E542 WeakPolarHBondContact O-CG 3.1Å; F538-E542 PolarHBondContact O-N 3.47Å; F538-Y560 HydrophobicContact CB-CE2 3.77Å; F538-Y560 AromaticContact CD1-CD2 3.61Å; F538-Y560 HydrophobicContact CD1-CD2 3.61Å; F538-Y560 AromaticContact CD1-CE2 3.2Å; F538-Y560 HydrophobicContact CD1-CE2 3.2Å; F538-Y560 HydrophobicContact CE1-CD2 4.14Å; F538-Y560 AromaticContact CE1-CE2 3.93Å; F538-Y560 HydrophobicContact CE1-CE2 3.93Å; F538-Y560 AromaticContact CG-CE2 3.7Å; F538-Y560 HydrophobicContact CG-CE2 3.7Å; F538-F564 HydrophobicContact CD1-CD2 4.43Å; F538-F564 HydrophobicContact CD2-CD2 4.47Å; F538-F564 HydrophobicContact CE1-CB 4.26Å; F538-F564 HydrophobicContact CE1-CD2 4Å; F538-F564 HydrophobicContact CE2-CD2 4.15Å; F538-F564 HydrophobicContact CE2-CE2 4.49Å; F538-F564 AromaticContact CZ-CD2 3.86Å; F538-F564 HydrophobicContact CZ-CD2 3.86Å; F538-Y568 HydrophobicContact CD2-CE2 4.45Å; F538-Y568 HydrophobicContact CE2-CD2 4.38Å; F538-Y568 AromaticContact CE2-CE2 3.54Å; F538-Y568 HydrophobicContact CE2-CE2 3.54Å; F538-Y568 HydrophobicContact CZ-CD2 4.5Å; F538-Y568 HydrophobicContact CZ-CE2 4.06Å
539	K	86.6	Confident	84.2	Confident	126 Å²	126	69 Å²	69	55%	0.548	32%	0.319	S	S	.	.	H	α-helix	trans	-61.6	-37.3	171	-72.5	174.7	-177.5	-178.1	0	112	E535 E536 E542 R543	E535-K539 WeakPolarHBondContact O-CG 3.19Å; E535-K539 PolarHBondContact O-N 3.31Å; E535-K539 VanDerWaalsContact O-N 3.17Å; E536-K539 CarbonylContact O-C 3.48Å; E536-K539 WeakPolarHBondContact O-CB 3.46Å; E536-K539 PolarHBondContact O-N 2.78Å; K539-E542 PolarHBondContact O-N 3.14Å; K539-R543 WeakPolarHBondContact O-CB 3.47Å; K539-R543 WeakPolarHBondContact O-CG 3.15Å; K539-R543 PolarHBondContact O-N 3.4Å
540	A	86.5	Confident	83.7	Confident	2 Å²	2	69.7 Å²	69.7	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-43.3	175.9	0	0	0	0	0	111.4	Y524 A525 L528 E536 S537 F538 R543 G544	Y524-A540 HydrophobicContact CD1-CB 3.42Å; Y524-A540 VanDerWaalsContact CD1-CB 3.42Å; Y524-A540 HydrophobicContact CE1-CB 3.57Å; Y524-A540 HydrophobicContact CG-CB 4.26Å; A525-A540 HydrophobicContact CB-CB 4.39Å; L528-A540 HydrophobicContact CD1-CB 4.04Å; E536-A540 PolarHBondContact O-N 3.46Å; S537-A540 WeakPolarHBondContact O-CB 3.31Å; S537-A540 PolarHBondContact O-N 3.19Å; S537-A540 VanDerWaalsContact O-N 3.13Å; F538-A540 VanDerWaalsContact C-N 3.29Å; F538-A540 PolarHBondContact O-N 2.73Å; A540-R543 PolarHBondContact O-N 3.29Å; A540-G544 PolarHBondContact O-N 2.89Å
541	Y	86.5	Confident	83.3	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-47.4	172.5	-71.4	-57.1	0	0	0	112.2	A525 S537 F538 R543 G544 I545 I556 Y560	A525-Y541 HydrophobicContact CB-CD1 3.94Å; A525-Y541 HydrophobicContact CB-CD2 3.94Å; A525-Y541 HydrophobicContact CB-CE1 3.47Å; A525-Y541 VanDerWaalsContact CB-CE1 3.47Å; A525-Y541 HydrophobicContact CB-CE2 3.46Å; A525-Y541 VanDerWaalsContact CB-CE2 3.46Å; A525-Y541 HydrophobicContact CB-CG 4.16Å; S537-Y541 VanDerWaalsContact O-CD2 3.23Å; S537-Y541 WeakPolarHBondContact O-CD2 3.28Å; S537-Y541 PolarHBondContact O-N 3.36Å; F538-Y541 HydrophobicContact CD1-CD2 4.33Å; F538-Y541 PolarHBondContact O-N 3.47Å; Y541-R543 VanDerWaalsContact C-N 3.35Å; Y541-R543 PolarHBondContact O-N 2.78Å; Y541-G544 CarbonylContact O-C 3.5Å; Y541-G544 WeakPolarHBondContact O-CA 3.35Å; Y541-G544 PolarHBondContact O-N 2.96Å; Y541-G544 VanDerWaalsContact O-N 3.09Å; Y541-I545 WeakPolarHBondContact O-CD1 3.19Å; Y541-I545 VanDerWaalsContact O-CG1 3.26Å; Y541-I545 WeakPolarHBondContact O-CG1 3.44Å; Y541-I545 PolarHBondContact O-N 3.29Å; Y541-I556 HydrophobicContact CD1-CG2 3.82Å; Y541-Y560 AromaticContact CD2-CD2 3.63Å; Y541-Y560 HydrophobicContact CD2-CD2 3.63Å; Y541-Y560 HydrophobicContact CD2-CE2 4.43Å; Y541-Y560 HydrophobicContact CD2-CG 4.04Å; Y541-Y560 HydrophobicContact CE2-CD2 4.41Å; Y541-Y560 HydrophobicContact CG-CD2 4.05Å; Y541-Y560 AromaticContact CG-CG 4Å; Y541-Y560 HydrophobicContact CG-CG 4Å
542	E	86.3	Confident	82.8	Confident	81 Å²	81	65.9 Å²	65.9	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-42.8	177.6	-72.5	168.9	-171.9	0	0	112	F538 K539 I545 S546 Y560	F538-E542 WeakPolarHBondContact O-CG 3.1Å; F538-E542 PolarHBondContact O-N 3.47Å; K539-E542 PolarHBondContact O-N 3.14Å; E542-I545 PolarHBondContact O-N 2.81Å; E542-S546 PolarHBondContact O-N 2.78Å; E542-Y560 HydrophobicContact CG-CE1 4.23Å; E542-Y560 PolarHBondContact OE1-OH 3.08Å
543	R	84.1	Confident	82.7	Confident	87 Å²	87	58.3 Å²	58.3	33%	0.328	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-43.3	172.9	-70.9	-175.5	81.3	-178.1	7	111	D508 L511 D512 K539 A540 Y541 S546 L547	D508-R543 IonicContact OD1-NH1 3.96Å; D508-R543 PolarHBondContact OD1-NH1 3.05Å; L511-R543 HydrophobicContact CD1-CB 4.35Å; D512-R543 IonicContact OD1-CZ 3.49Å; D512-R543 IonicContact OD1-NH1 2.73Å; D512-R543 IonicContact OD1-NH2 3.86Å; D512-R543 PolarHBondContact OD1-NH2 3.09Å; K539-R543 WeakPolarHBondContact O-CB 3.47Å; K539-R543 WeakPolarHBondContact O-CG 3.15Å; K539-R543 PolarHBondContact O-N 3.4Å; A540-R543 PolarHBondContact O-N 3.29Å; Y541-R543 VanDerWaalsContact C-N 3.35Å; Y541-R543 PolarHBondContact O-N 2.78Å; R543-S546 PolarHBondContact O-N 3.15Å; R543-S546 PolarHBondContact O-OG 3.41Å; R543-L547 WeakPolarHBondContact O-CG 3.47Å; R543-L547 PolarHBondContact O-N 2.55Å
544	G	83.9	Confident	82.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-46.8	175	0	0	0	0	0	113	A540 Y541 S546 L547 F548	A540-G544 PolarHBondContact O-N 2.89Å; Y541-G544 CarbonylContact O-C 3.5Å; Y541-G544 WeakPolarHBondContact O-CA 3.35Å; Y541-G544 PolarHBondContact O-N 2.96Å; Y541-G544 VanDerWaalsContact O-N 3.09Å; G544-S546 VanDerWaalsContact C-N 3.29Å; G544-S546 PolarHBondContact O-N 3.41Å; G544-L547 PolarHBondContact O-N 2.79Å; G544-F548 WeakPolarHBondContact O-CD2 3.16Å; G544-F548 PolarHBondContact O-N 3.4Å
545	I	82.6	Confident	82.4	Confident	30 Å²	30	56.4 Å²	56.4	15%	0.154	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-41	177.9	-68.3	158.5	0	0	0	110.6	Y541 E542 L547 F548 V553 I556 W557 Y560	Y541-I545 WeakPolarHBondContact O-CD1 3.19Å; Y541-I545 VanDerWaalsContact O-CG1 3.26Å; Y541-I545 WeakPolarHBondContact O-CG1 3.44Å; Y541-I545 PolarHBondContact O-N 3.29Å; E542-I545 PolarHBondContact O-N 2.81Å; I545-L547 PolarHBondContact O-N 3.34Å; I545-F548 PolarHBondContact O-N 3.35Å; I545-F548 VanDerWaalsContact O-O 3.12Å; I545-V553 HydrophobicContact CB-CG1 4.23Å; I545-V553 HydrophobicContact CG1-CG1 3.94Å; I545-V553 HydrophobicContact CG2-CG1 3.9Å; I545-I556 HydrophobicContact CD1-CG2 4.37Å; I545-I556 HydrophobicContact CG1-CB 4.45Å; I545-I556 HydrophobicContact CG1-CG2 3.79Å; I545-W557 HydrophobicContact CD1-CD2 3.76Å; I545-W557 HydrophobicContact CD1-CE3 3.79Å; I545-W557 HydrophobicContact CD1-CH2 3.81Å; I545-W557 HydrophobicContact CD1-CZ2 3.77Å; I545-W557 HydrophobicContact CD1-CZ3 3.82Å; I545-W557 HydrophobicContact CG1-CD2 4.35Å; I545-W557 HydrophobicContact CG1-CZ2 4.38Å; I545-W557 HydrophobicContact CG2-CZ2 3.72Å; I545-Y560 HydrophobicContact CD1-CD1 3.84Å; I545-Y560 HydrophobicContact CD1-CE1 4.32Å
546	S	82.3	Confident	82.5	Confident	95 Å²	95	52.9 Å²	52.9	66%	0.664	26%	0.263	S	S	*	.	H	α-helix	trans	-65	-22	177.8	76.7	0	0	0	0	114.4	E542 R543 G544	E542-S546 PolarHBondContact O-N 2.78Å; R543-S546 PolarHBondContact O-N 3.15Å; R543-S546 PolarHBondContact O-OG 3.41Å; G544-S546 VanDerWaalsContact C-N 3.29Å; G544-S546 PolarHBondContact O-N 3.41Å
547	L	81.3	Confident	82.5	Confident	58 Å²	58	50.9 Å²	50.9	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-89.5	-33	-178	-68.8	171.9	0	0	0	113	L511 R514 R543 G544 I545	L511-L547 HydrophobicContact CB-CD1 4.49Å; L511-L547 HydrophobicContact CD2-CD1 3.66Å; R514-L547 HydrophobicContact CB-CD2 4.31Å; R514-L547 HydrophobicContact CG-CD2 3.79Å; R543-L547 WeakPolarHBondContact O-CG 3.47Å; R543-L547 PolarHBondContact O-N 2.55Å; G544-L547 PolarHBondContact O-N 2.79Å; I545-L547 PolarHBondContact O-N 3.34Å
548	F	79.9	Confident	82.4	Confident	40 Å²	40	52.6 Å²	52.6	18%	0.175	27%	0.265	C	S	.	.			trans	-102.7	155.8	-174.5	-59.1	-68.8	0	0	0	112.8	A516 P518 V521 G544 I545 V553 I556	A516-F548 HydrophobicContact CB-CZ 4.44Å; A516-F548 WeakPolarHBondContact O-CE1 3.35Å; A516-F548 WeakPolarHBondContact O-CZ 3.41Å; P518-F548 HydrophobicContact CG-CD1 4.33Å; P518-F548 HydrophobicContact CG-CD2 4.41Å; P518-F548 HydrophobicContact CG-CE1 4.07Å; P518-F548 HydrophobicContact CG-CE2 4.15Å; P518-F548 HydrophobicContact CG-CG 4.5Å; P518-F548 HydrophobicContact CG-CZ 3.98Å; V521-F548 HydrophobicContact CG2-CE2 3.81Å; V521-F548 HydrophobicContact CG2-CZ 4.42Å; G544-F548 WeakPolarHBondContact O-CD2 3.16Å; G544-F548 PolarHBondContact O-N 3.4Å; I545-F548 PolarHBondContact O-N 3.35Å; I545-F548 VanDerWaalsContact O-O 3.12Å; F548-V553 VanDerWaalsContact C-CG2 3.44Å; F548-V553 HydrophobicContact CB-CG2 3.75Å; F548-V553 VanDerWaalsContact O-CG2 3.25Å; F548-V553 WeakPolarHBondContact O-CG2 3.45Å; F548-I556 HydrophobicContact CD2-CD1 3.35Å; F548-I556 HydrophobicContact CE2-CD1 3.74Å; F548-I556 HydrophobicContact CG-CD1 4.34Å
549	K	79.1	Confident	82.2	Confident	184 Å²	184	54.1 Å²	54.1	80%	0.8	28%	0.275	S	S	*	.			trans	-109.5	157.1	171.7	-63.1	-178.1	179.2	-177.3	0	110	N552 V553	K549-N552 PolarHBondContact O-N 2.82Å; K549-V553 WeakPolarHBondContact O-CG2 3.49Å
550	W	74.9	Confident	82.2	Confident	69 Å²	69	48.1 Å²	48.1	26%	0.261	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	134.6	169.4	-66.4	99.7	0	0	0	109.9	W557 A583 G586 C587 P588 Y591 L595	W550-W557 AromaticContact CH2-CD1 3.94Å; W550-A583 WeakPolarHBondContact CZ2-O 3.33Å; W550-G586 PolarHBondContact NE1-O 3.47Å; W550-C587 HydrophobicContact CH2-CB 4.09Å; W550-C587 HydrophobicContact CZ2-CB 3.99Å; W550-P588 HydrophobicContact CB-CG 4.32Å; W550-P588 HydrophobicContact CG-CG 4.38Å; W550-Y591 HydrophobicContact CE3-CD2 4.5Å; W550-L595 HydrophobicContact CH2-CD1 4.05Å
551	P	78.2	Confident	82.1	Confident	69 Å²	69	48.1 Å²	48.1	45%	0.448	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.6	-20.3	13.6	-15.4	33.7	0	0	0	117.3	V553 S554 Y591	P551-V553 PolarHBondContact O-N 3.31Å; P551-S554 WeakPolarHBondContact O-CB 3.48Å; P551-S554 PolarHBondContact O-N 3.44Å; P551-S554 PolarHBondContact O-OG 3.3Å; P551-Y591 HydrophobicContact CB-CE2 4.16Å
552	N	74.9	Confident	82	Confident	91 Å²	91	50.7 Å²	50.7	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.8	-169.4	-65.1	-11.5	0	0	0	114.5	P518 K549 S554	P518-N552 HydrophobicContact CG-CB 4.01Å; K549-N552 PolarHBondContact O-N 2.82Å; N552-S554 VanDerWaalsContact C-N 3.27Å
553	V	81.6	Confident	81.8	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.024	26%	0.261	C	S	.	.	H	α-helix	trans	-72.5	-20.9	176.2	-163.2	0	0	0	0	111.2	I545 F548 K549 P551 D555 I556 W557	I545-V553 HydrophobicContact CB-CG1 4.23Å; I545-V553 HydrophobicContact CG1-CG1 3.94Å; I545-V553 HydrophobicContact CG2-CG1 3.9Å; F548-V553 VanDerWaalsContact C-CG2 3.44Å; F548-V553 HydrophobicContact CB-CG2 3.75Å; F548-V553 VanDerWaalsContact O-CG2 3.25Å; F548-V553 WeakPolarHBondContact O-CG2 3.45Å; K549-V553 WeakPolarHBondContact O-CG2 3.49Å; P551-V553 PolarHBondContact O-N 3.31Å; V553-D555 PolarHBondContact O-N 2.84Å; V553-I556 PolarHBondContact O-N 3.29Å; V553-W557 HydrophobicContact CG1-CG 4.17Å; V553-W557 VanDerWaalsContact CG1-NE1 3.34Å; V553-W557 WeakPolarHBondContact O-CB 3.36Å; V553-W557 PolarHBondContact O-N 3.2Å
554	S	78.5	Confident	81.8	Confident	23 Å²	23	46.3 Å²	46.3	16%	0.161	25%	0.247	C	C	.	.	H	α-helix	trans	-56.2	-40.1	179.9	60.5	0	0	0	0	112.6	P551 N552 S558	P551-S554 WeakPolarHBondContact O-CB 3.48Å; P551-S554 PolarHBondContact O-N 3.44Å; P551-S554 PolarHBondContact O-OG 3.3Å; N552-S554 VanDerWaalsContact C-N 3.27Å; S554-S558 VanDerWaalsContact O-CB 3.31Å; S554-S558 WeakPolarHBondContact O-CB 3.46Å; S554-S558 PolarHBondContact O-N 2.82Å; S554-S558 PolarHBondContact O-OG 2.94Å
555	D	81.3	Confident	81.7	Confident	89 Å²	89	48 Å²	48	48%	0.476	26%	0.255	S	S	.	.	H	α-helix	trans	-76	-36.1	-175.7	-58.1	-12.7	0	0	0	110	V553 S558 T559	V553-D555 PolarHBondContact O-N 2.84Å; D555-S558 WeakPolarHBondContact CA-OG 3.18Å; D555-S558 PolarHBondContact O-OG 3.08Å; D555-S558 VanDerWaalsContact O-OG 3.08Å; D555-T559 WeakPolarHBondContact O-CB 3.23Å; D555-T559 VanDerWaalsContact O-CG2 3.28Å; D555-T559 WeakPolarHBondContact O-CG2 3.14Å; D555-T559 PolarHBondContact O-N 3Å; D555-T559 PolarHBondContact O-OG1 3.37Å
556	I	84.5	Confident	81.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.5	-43.7	174.3	-53.3	179.7	0	0	0	110.2	P518 Y541 I545 F548 V553 T559 Y560	P518-I556 HydrophobicContact CB-CD1 4.06Å; P518-I556 HydrophobicContact CB-CG1 4.16Å; Y541-I556 HydrophobicContact CD1-CG2 3.82Å; I545-I556 HydrophobicContact CD1-CG2 4.37Å; I545-I556 HydrophobicContact CG1-CB 4.45Å; I545-I556 HydrophobicContact CG1-CG2 3.79Å; F548-I556 HydrophobicContact CD2-CD1 3.35Å; F548-I556 HydrophobicContact CE2-CD1 3.74Å; F548-I556 HydrophobicContact CG-CD1 4.34Å; V553-I556 PolarHBondContact O-N 3.29Å; I556-T559 PolarHBondContact O-OG1 2.86Å; I556-Y560 WeakPolarHBondContact O-CB 3.22Å; I556-Y560 PolarHBondContact O-N 3.43Å
557	W	86.6	Confident	81.4	Confident	12 Å²	12	53.6 Å²	53.6	5%	0.045	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-45.9	176.6	-85.8	128.6	0	0	0	112	I545 W550 V553 T559 Y560 L561 Q582 A583	I545-W557 HydrophobicContact CD1-CD2 3.76Å; I545-W557 HydrophobicContact CD1-CE3 3.79Å; I545-W557 HydrophobicContact CD1-CH2 3.81Å; I545-W557 HydrophobicContact CD1-CZ2 3.77Å; I545-W557 HydrophobicContact CD1-CZ3 3.82Å; I545-W557 HydrophobicContact CG1-CD2 4.35Å; I545-W557 HydrophobicContact CG1-CZ2 4.38Å; I545-W557 HydrophobicContact CG2-CZ2 3.72Å; W550-W557 AromaticContact CH2-CD1 3.94Å; V553-W557 HydrophobicContact CG1-CG 4.17Å; V553-W557 VanDerWaalsContact CG1-NE1 3.34Å; V553-W557 WeakPolarHBondContact O-CB 3.36Å; V553-W557 PolarHBondContact O-N 3.2Å; W557-T559 PolarHBondContact O-N 3.18Å; W557-Y560 AromaticContact CE3-CD1 3.81Å; W557-Y560 HydrophobicContact CE3-CD1 3.81Å; W557-Y560 AromaticContact CZ3-CD1 3.66Å; W557-Y560 HydrophobicContact CZ3-CD1 3.66Å; W557-Y560 AromaticContact CZ3-CE1 3.92Å; W557-Y560 HydrophobicContact CZ3-CE1 3.92Å; W557-Y560 PolarHBondContact O-N 2.68Å; W557-L561 HydrophobicContact CB-CD1 4.46Å; W557-L561 HydrophobicContact CE3-CD1 4.43Å; W557-L561 HydrophobicContact CE3-CG 4.27Å; W557-L561 WeakPolarHBondContact O-CB 3.36Å; W557-L561 WeakPolarHBondContact O-CD1 3.45Å; W557-L561 WeakPolarHBondContact O-CG 3.27Å; W557-L561 PolarHBondContact O-N 3.18Å; W557-Q582 HydrophobicContact CH2-CB 3.93Å; W557-Q582 HydrophobicContact CZ2-CB 4.36Å; W557-A583 HydrophobicContact CD2-CB 3.7Å; W557-A583 HydrophobicContact CE3-CB 3.78Å; W557-A583 HydrophobicContact CG-CB 4.16Å; W557-A583 HydrophobicContact CH2-CB 4.24Å; W557-A583 HydrophobicContact CZ2-CB 4.16Å; W557-A583 HydrophobicContact CZ3-CB 4.05Å
558	S	83.5	Confident	81.1	Confident	39 Å²	39	52.6 Å²	52.6	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-42.3	179.7	56.6	0	0	0	0	111.9	S554 D555 T562	S554-S558 VanDerWaalsContact O-CB 3.31Å; S554-S558 WeakPolarHBondContact O-CB 3.46Å; S554-S558 PolarHBondContact O-N 2.82Å; S554-S558 PolarHBondContact O-OG 2.94Å; D555-S558 WeakPolarHBondContact CA-OG 3.18Å; D555-S558 PolarHBondContact O-OG 3.08Å; D555-S558 VanDerWaalsContact O-OG 3.08Å; S558-T562 VanDerWaalsContact O-CB 3.28Å; S558-T562 WeakPolarHBondContact O-CB 3.33Å; S558-T562 WeakPolarHBondContact O-CG2 3.37Å; S558-T562 PolarHBondContact O-N 3.35Å; S558-T562 PolarHBondContact O-OG1 3.36Å
559	T	84	Confident	80.4	Confident	37 Å²	37	52 Å²	52	23%	0.227	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-46.7	173.3	53	0	0	0	0	111.5	D555 I556 W557 L561 T562 K563	D555-T559 WeakPolarHBondContact O-CB 3.23Å; D555-T559 VanDerWaalsContact O-CG2 3.28Å; D555-T559 WeakPolarHBondContact O-CG2 3.14Å; D555-T559 PolarHBondContact O-N 3Å; D555-T559 PolarHBondContact O-OG1 3.37Å; I556-T559 PolarHBondContact O-OG1 2.86Å; W557-T559 PolarHBondContact O-N 3.18Å; T559-L561 PolarHBondContact O-N 3.48Å; T559-T562 WeakPolarHBondContact CA-OG1 3.39Å; T559-T562 PolarHBondContact O-OG1 3.06Å; T559-K563 WeakPolarHBondContact O-CB 3.47Å; T559-K563 WeakPolarHBondContact O-CG 3.4Å; T559-K563 PolarHBondContact O-N 3.39Å
560	Y	85.6	Confident	79.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-49.5	177.7	-179.4	-153.1	0	0	0	112	F538 Y541 E542 I545 I556 W557 K563 F564 L579	F538-Y560 HydrophobicContact CB-CE2 3.77Å; F538-Y560 AromaticContact CD1-CD2 3.61Å; F538-Y560 HydrophobicContact CD1-CD2 3.61Å; F538-Y560 AromaticContact CD1-CE2 3.2Å; F538-Y560 HydrophobicContact CD1-CE2 3.2Å; F538-Y560 HydrophobicContact CE1-CD2 4.14Å; F538-Y560 AromaticContact CE1-CE2 3.93Å; F538-Y560 HydrophobicContact CE1-CE2 3.93Å; F538-Y560 AromaticContact CG-CE2 3.7Å; F538-Y560 HydrophobicContact CG-CE2 3.7Å; Y541-Y560 AromaticContact CD2-CD2 3.63Å; Y541-Y560 HydrophobicContact CD2-CD2 3.63Å; Y541-Y560 HydrophobicContact CD2-CE2 4.43Å; Y541-Y560 HydrophobicContact CD2-CG 4.04Å; Y541-Y560 HydrophobicContact CE2-CD2 4.41Å; Y541-Y560 HydrophobicContact CG-CD2 4.05Å; Y541-Y560 AromaticContact CG-CG 4Å; Y541-Y560 HydrophobicContact CG-CG 4Å; E542-Y560 HydrophobicContact CG-CE1 4.23Å; E542-Y560 PolarHBondContact OE1-OH 3.08Å; I545-Y560 HydrophobicContact CD1-CD1 3.84Å; I545-Y560 HydrophobicContact CD1-CE1 4.32Å; I556-Y560 WeakPolarHBondContact O-CB 3.22Å; I556-Y560 PolarHBondContact O-N 3.43Å; W557-Y560 AromaticContact CE3-CD1 3.81Å; W557-Y560 HydrophobicContact CE3-CD1 3.81Å; W557-Y560 AromaticContact CZ3-CD1 3.66Å; W557-Y560 HydrophobicContact CZ3-CD1 3.66Å; W557-Y560 AromaticContact CZ3-CE1 3.92Å; W557-Y560 HydrophobicContact CZ3-CE1 3.92Å; W557-Y560 PolarHBondContact O-N 2.68Å; Y560-K563 PolarHBondContact O-N 3.22Å; Y560-F564 HydrophobicContact CE2-CD2 4.26Å; Y560-F564 WeakPolarHBondContact O-CB 3.28Å; Y560-F564 PolarHBondContact O-N 2.66Å; Y560-L579 HydrophobicContact CE1-CD1 4.04Å; Y560-L579 HydrophobicContact CE1-CD2 3.56Å; Y560-L579 HydrophobicContact CE1-CG 4.36Å; Y560-L579 HydrophobicContact CE2-CD1 4.16Å; Y560-L579 WeakPolarHBondContact OH-CD1 3.43Å; Y560-L579 WeakPolarHBondContact OH-CD2 3.39Å
561	L	83.8	Confident	79.7	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-47.5	-178.8	-68.4	167.5	0	0	0	111.4	W557 T559 K563 F564 I565 L579 F580 A583 L595	W557-L561 HydrophobicContact CB-CD1 4.46Å; W557-L561 HydrophobicContact CE3-CD1 4.43Å; W557-L561 HydrophobicContact CE3-CG 4.27Å; W557-L561 WeakPolarHBondContact O-CB 3.36Å; W557-L561 WeakPolarHBondContact O-CD1 3.45Å; W557-L561 WeakPolarHBondContact O-CG 3.27Å; W557-L561 PolarHBondContact O-N 3.18Å; T559-L561 PolarHBondContact O-N 3.48Å; L561-K563 VanDerWaalsContact C-N 3.33Å; L561-K563 PolarHBondContact O-N 3.39Å; L561-F564 PolarHBondContact O-N 3.43Å; L561-I565 WeakPolarHBondContact O-CB 3.4Å; L561-I565 WeakPolarHBondContact O-CD1 3.26Å; L561-I565 WeakPolarHBondContact O-CG1 3.26Å; L561-I565 PolarHBondContact O-N 3.11Å; L561-L579 HydrophobicContact CD2-CB 4.15Å; L561-F580 HydrophobicContact CB-CE1 4.43Å; L561-F580 HydrophobicContact CB-CZ 4.37Å; L561-F580 HydrophobicContact CD1-CD1 3.98Å; L561-F580 HydrophobicContact CD1-CE1 3.74Å; L561-F580 HydrophobicContact CD1-CZ 4.45Å; L561-F580 HydrophobicContact CD2-CD1 3.98Å; L561-F580 HydrophobicContact CD2-CD2 4.27Å; L561-F580 HydrophobicContact CD2-CE1 3.92Å; L561-F580 HydrophobicContact CD2-CE2 4.18Å; L561-F580 HydrophobicContact CD2-CG 4.15Å; L561-F580 HydrophobicContact CD2-CZ 4.01Å; L561-F580 HydrophobicContact CG-CE1 4.24Å; L561-A583 HydrophobicContact CD1-CB 4.28Å; L561-L595 HydrophobicContact CD1-CD2 3.64Å
562	T	84.9	Confident	79.7	Confident	56 Å²	56	52.2 Å²	52.2	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-39.9	178.5	54	0	0	0	0	112.2	S558 T559 S566	S558-T562 VanDerWaalsContact O-CB 3.28Å; S558-T562 WeakPolarHBondContact O-CB 3.33Å; S558-T562 WeakPolarHBondContact O-CG2 3.37Å; S558-T562 PolarHBondContact O-N 3.35Å; S558-T562 PolarHBondContact O-OG1 3.36Å; T559-T562 WeakPolarHBondContact CA-OG1 3.39Å; T559-T562 PolarHBondContact O-OG1 3.06Å; T562-S566 WeakPolarHBondContact O-CB 3.33Å; T562-S566 PolarHBondContact O-N 3.39Å; T562-S566 PolarHBondContact O-OG 3.3Å
563	K	82.8	Confident	79.8	Confident	72 Å²	72	49.6 Å²	49.6	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-69.6	-38.9	175.7	-67.2	-69.1	-172.4	154.2	0	112.2	E529 T559 Y560 L561 S566 R567	E529-K563 VanDerWaalsContact CD-NZ 3.3Å; E529-K563 IonicContact OE1-NZ 2.67Å; E529-K563 PolarHBondContact OE1-NZ 2.94Å; E529-K563 WeakPolarHBondContact OE2-CD 3.39Å; E529-K563 WeakPolarHBondContact OE2-CE 3.35Å; E529-K563 IonicContact OE2-NZ 3.96Å; E529-K563 PolarHBondContact OE2-NZ 3.03Å; T559-K563 WeakPolarHBondContact O-CB 3.47Å; T559-K563 WeakPolarHBondContact O-CG 3.4Å; T559-K563 PolarHBondContact O-N 3.39Å; Y560-K563 PolarHBondContact O-N 3.22Å; L561-K563 VanDerWaalsContact C-N 3.33Å; L561-K563 PolarHBondContact O-N 3.39Å; K563-S566 PolarHBondContact O-N 2.94Å; K563-R567 WeakPolarHBondContact O-CB 3.33Å; K563-R567 PolarHBondContact O-N 3.12Å; K563-R567 VanDerWaalsContact O-N 3.11Å
564	F	84.1	Confident	79.8	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-45.6	175.2	-169.5	-88.3	0	0	0	111.4	F538 Y560 L561 R567 Y568 K572 R575 A576 L579	F538-F564 HydrophobicContact CD1-CD2 4.43Å; F538-F564 HydrophobicContact CD2-CD2 4.47Å; F538-F564 HydrophobicContact CE1-CB 4.26Å; F538-F564 HydrophobicContact CE1-CD2 4Å; F538-F564 HydrophobicContact CE2-CD2 4.15Å; F538-F564 HydrophobicContact CE2-CE2 4.49Å; F538-F564 AromaticContact CZ-CD2 3.86Å; F538-F564 HydrophobicContact CZ-CD2 3.86Å; Y560-F564 HydrophobicContact CE2-CD2 4.26Å; Y560-F564 WeakPolarHBondContact O-CB 3.28Å; Y560-F564 PolarHBondContact O-N 2.66Å; L561-F564 PolarHBondContact O-N 3.43Å; F564-R567 PolarHBondContact O-N 3.26Å; F564-Y568 HydrophobicContact CD1-CD2 4.45Å; F564-Y568 AromaticContact CD2-CD2 3.93Å; F564-Y568 HydrophobicContact CD2-CD2 3.93Å; F564-Y568 HydrophobicContact CD2-CE2 4.19Å; F564-Y568 HydrophobicContact CE1-CD2 4.12Å; F564-Y568 AromaticContact CE2-CD2 3.59Å; F564-Y568 HydrophobicContact CE2-CD2 3.59Å; F564-Y568 AromaticContact CE2-CE2 3.74Å; F564-Y568 HydrophobicContact CE2-CE2 3.74Å; F564-Y568 HydrophobicContact CG-CD2 4.34Å; F564-Y568 AromaticContact CZ-CD2 3.69Å; F564-Y568 HydrophobicContact CZ-CD2 3.69Å; F564-Y568 HydrophobicContact CZ-CE2 4.18Å; F564-Y568 HydrophobicContact CZ-CG 4.46Å; F564-Y568 PolarHBondContact O-N 3.19Å; F564-K572 HydrophobicContact CZ-CB 4.41Å; F564-R575 HydrophobicContact CE2-CG 4.14Å; F564-R575 HydrophobicContact CZ-CB 4.03Å; F564-R575 HydrophobicContact CZ-CG 3.71Å; F564-A576 HydrophobicContact CD1-CB 4.11Å; F564-A576 HydrophobicContact CE1-CB 3.67Å; F564-L579 HydrophobicContact CD1-CD1 4.13Å; F564-L579 HydrophobicContact CD2-CD1 3.63Å; F564-L579 HydrophobicContact CE1-CD1 4.21Å; F564-L579 HydrophobicContact CE2-CD1 3.71Å; F564-L579 HydrophobicContact CG-CD1 3.85Å; F564-L579 HydrophobicContact CZ-CD1 4.01Å
565	I	81.9	Confident	80	Confident	34 Å²	34	57.1 Å²	57.1	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-52.8	175.7	-67.3	164	0	0	0	110.3	L561 R567 G569 F580 L602	L561-I565 WeakPolarHBondContact O-CB 3.4Å; L561-I565 WeakPolarHBondContact O-CD1 3.26Å; L561-I565 WeakPolarHBondContact O-CG1 3.26Å; L561-I565 PolarHBondContact O-N 3.11Å; I565-R567 PolarHBondContact O-N 3.3Å; I565-G569 PolarHBondContact O-N 3.34Å; I565-F580 HydrophobicContact CD1-CE2 4.33Å; I565-F580 HydrophobicContact CD1-CZ 3.85Å; I565-L602 HydrophobicContact CD1-CD1 4.35Å; I565-L602 HydrophobicContact CG1-CD1 3.63Å; I565-L602 HydrophobicContact CG2-CD1 4.44Å
566	S	80.4	Confident	80.1	Confident	102 Å²	102	53 Å²	53	71%	0.713	26%	0.263	S	S	*	.	H	α-helix	trans	-59.1	-32.2	-177.4	-60.1	0	0	0	0	112.8	T562 K563	T562-S566 WeakPolarHBondContact O-CB 3.33Å; T562-S566 PolarHBondContact O-N 3.39Å; T562-S566 PolarHBondContact O-OG 3.3Å; K563-S566 PolarHBondContact O-N 2.94Å
567	R	77.6	Confident	80.1	Confident	142 Å²	142	54.2 Å²	54.2	54%	0.536	27%	0.268	S	S	.	.	H	α-helix	trans	-86	-47.1	-177.4	-176.1	60	176.2	167.3	2	113.4	F534 K563 F564 I565	F534-R567 VanDerWaalsContact CE2-NH2 3.28Å; K563-R567 WeakPolarHBondContact O-CB 3.33Å; K563-R567 PolarHBondContact O-N 3.12Å; K563-R567 VanDerWaalsContact O-N 3.11Å; F564-R567 PolarHBondContact O-N 3.26Å; I565-R567 PolarHBondContact O-N 3.3Å
568	Y	75.4	Confident	80.1	Confident	37 Å²	37	58.1 Å²	58.1	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-92.8	-20.9	-171.6	-76	-65.4	0	0	0	114.1	E535 F538 F564 G570 R571 K572	E535-Y568 PolarHBondContact OE1-OH 3.18Å; F538-Y568 HydrophobicContact CD2-CE2 4.45Å; F538-Y568 HydrophobicContact CE2-CD2 4.38Å; F538-Y568 AromaticContact CE2-CE2 3.54Å; F538-Y568 HydrophobicContact CE2-CE2 3.54Å; F538-Y568 HydrophobicContact CZ-CD2 4.5Å; F538-Y568 HydrophobicContact CZ-CE2 4.06Å; F564-Y568 HydrophobicContact CD1-CD2 4.45Å; F564-Y568 AromaticContact CD2-CD2 3.93Å; F564-Y568 HydrophobicContact CD2-CD2 3.93Å; F564-Y568 HydrophobicContact CD2-CE2 4.19Å; F564-Y568 HydrophobicContact CE1-CD2 4.12Å; F564-Y568 AromaticContact CE2-CD2 3.59Å; F564-Y568 HydrophobicContact CE2-CD2 3.59Å; F564-Y568 AromaticContact CE2-CE2 3.74Å; F564-Y568 HydrophobicContact CE2-CE2 3.74Å; F564-Y568 HydrophobicContact CG-CD2 4.34Å; F564-Y568 AromaticContact CZ-CD2 3.69Å; F564-Y568 HydrophobicContact CZ-CD2 3.69Å; F564-Y568 HydrophobicContact CZ-CE2 4.18Å; F564-Y568 HydrophobicContact CZ-CG 4.46Å; F564-Y568 PolarHBondContact O-N 3.19Å; Y568-G570 PolarHBondContact O-N 3.1Å; Y568-R571 WeakPolarHBondContact O-CB 3.38Å; Y568-R571 PolarHBondContact O-N 3.4Å; Y568-K572 HydrophobicContact CD1-CB 4.45Å; Y568-K572 HydrophobicContact CD1-CD 3.87Å; Y568-K572 HydrophobicContact CD1-CG 4.02Å; Y568-K572 HydrophobicContact CD2-CD 4.43Å; Y568-K572 HydrophobicContact CE1-CD 3.65Å; Y568-K572 HydrophobicContact CE1-CG 4.26Å; Y568-K572 HydrophobicContact CE2-CD 4.2Å; Y568-K572 HydrophobicContact CG-CB 4.38Å; Y568-K572 HydrophobicContact CG-CD 4.28Å; Y568-K572 HydrophobicContact CG-CG 4.43Å; Y568-K572 PolarHBondContact OH-NZ 3.49Å
569	G	64.6	Low	80.1	Confident	28 Å²	28	56.5 Å²	56.5	29%	0.289	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	34.3	49.5	168.3	0	0	0	0	0	114.5	I565 W606	I565-G569 PolarHBondContact O-N 3.34Å; G569-W606 VanDerWaalsContact O-CE3 3.26Å; G569-W606 WeakPolarHBondContact O-CH2 3.26Å; G569-W606 WeakPolarHBondContact O-CZ3 3.26Å
570	G	67.6	Low	80.1	Confident	23 Å²	23	54.8 Å²	54.8	24%	0.237	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	97	-13.3	-179.9	0	0	0	0	0	118.5	Y568 K572 L573	Y568-G570 PolarHBondContact O-N 3.1Å; G570-K572 PolarHBondContact O-N 3.04Å; G570-L573 WeakPolarHBondContact O-CG 3.37Å
571	R	72.3	Confident	80.1	Confident	227 Å²	227	57.3 Å²	57.3	86%	0.857	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.5	-178.4	-66.4	-174.9	-177	-170.1	1.3	114.3	Y568	Y568-R571 WeakPolarHBondContact O-CB 3.38Å; Y568-R571 PolarHBondContact O-N 3.4Å
572	K	77.1	Confident	80.1	Confident	75 Å²	75	62.3 Å²	62.3	33%	0.326	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	57.9	-176.9	-67	-174.4	179.1	172	0	110.3	E535 F564 Y568 G570 R575 A576	E535-K572 IonicContact OE1-NZ 3.78Å; E535-K572 PolarHBondContact OE1-NZ 3.17Å; F564-K572 HydrophobicContact CZ-CB 4.41Å; Y568-K572 HydrophobicContact CD1-CB 4.45Å; Y568-K572 HydrophobicContact CD1-CD 3.87Å; Y568-K572 HydrophobicContact CD1-CG 4.02Å; Y568-K572 HydrophobicContact CD2-CD 4.43Å; Y568-K572 HydrophobicContact CE1-CD 3.65Å; Y568-K572 HydrophobicContact CE1-CG 4.26Å; Y568-K572 HydrophobicContact CE2-CD 4.2Å; Y568-K572 HydrophobicContact CG-CB 4.38Å; Y568-K572 HydrophobicContact CG-CD 4.28Å; Y568-K572 HydrophobicContact CG-CG 4.43Å; Y568-K572 PolarHBondContact OH-NZ 3.49Å; G570-K572 PolarHBondContact O-N 3.04Å; K572-R575 HydrophobicContact CB-CB 4.2Å; K572-R575 PolarHBondContact O-N 3.01Å; K572-A576 PolarHBondContact O-N 2.87Å
573	L	78	Confident	79.8	Confident	36 Å²	36	59.7 Å²	59.7	19%	0.188	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-43.3	-177.4	-73.8	166.7	0	0	0	113.2	G570 R575 A576 R577 L602 W606	G570-L573 WeakPolarHBondContact O-CG 3.37Å; L573-R575 VanDerWaalsContact C-N 3.32Å; L573-R575 PolarHBondContact O-N 2.93Å; L573-A576 WeakPolarHBondContact O-CA 3.22Å; L573-A576 VanDerWaalsContact O-CB 3.29Å; L573-A576 WeakPolarHBondContact O-CB 3.37Å; L573-A576 PolarHBondContact O-N 3.28Å; L573-R577 WeakPolarHBondContact O-CG 3.38Å; L573-R577 PolarHBondContact O-N 3.12Å; L573-L602 HydrophobicContact CD2-CD2 4.21Å; L573-L602 HydrophobicContact CD2-CG 4.42Å; L573-W606 HydrophobicContact CD1-CB 4.17Å; L573-W606 WeakPolarHBondContact CD1-O 3.47Å; L573-W606 HydrophobicContact CD2-CB 3.57Å; L573-W606 HydrophobicContact CD2-CG 4.49Å; L573-W606 HydrophobicContact CG-CB 4.4Å
574	E	81.4	Confident	79.7	Confident	120 Å²	120	57.1 Å²	57.1	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-61.7	-41.1	178.8	-55.5	-55.8	160.9	0	0	111.7	A576 R577 D578	E574-A576 VanDerWaalsContact C-N 3.32Å; E574-A576 PolarHBondContact O-N 3.3Å; E574-R577 WeakPolarHBondContact O-CB 3.49Å; E574-R577 PolarHBondContact O-N 3.18Å; E574-R577 IonicContact OE1-NH1 3.91Å; E574-R577 PolarHBondContact OE1-NH1 2.87Å; E574-R577 WeakPolarHBondContact OE2-CD 3.36Å; E574-R577 IonicContact OE2-CZ 3.23Å; E574-R577 IonicContact OE2-NH1 3.82Å; E574-R577 PolarHBondContact OE2-NH1 3.07Å; E574-D578 VanDerWaalsContact O-CG 3.25Å; E574-D578 PolarHBondContact O-N 2.92Å
575	R	82.8	Confident	79.3	Confident	66 Å²	66	63 Å²	63	25%	0.249	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-36.7	173.2	-174.9	176.7	173.7	-172.7	-3.8	111.9	E535 F564 K572 L573 R577 D578 L579	E535-R575 IonicContact OE1-NH1 3.97Å; E535-R575 PolarHBondContact OE1-NH1 3.26Å; E535-R575 VanDerWaalsContact OE1-NH1 3.07Å; E535-R575 IonicContact OE2-CZ 3.78Å; E535-R575 IonicContact OE2-NH1 2.76Å; E535-R575 PolarHBondContact OE2-NH1 2.96Å; E535-R575 IonicContact OE2-NH2 2.72Å; E535-R575 PolarHBondContact OE2-NH2 3.41Å; F564-R575 HydrophobicContact CE2-CG 4.14Å; F564-R575 HydrophobicContact CZ-CB 4.03Å; F564-R575 HydrophobicContact CZ-CG 3.71Å; K572-R575 HydrophobicContact CB-CB 4.2Å; K572-R575 PolarHBondContact O-N 3.01Å; L573-R575 VanDerWaalsContact C-N 3.32Å; L573-R575 PolarHBondContact O-N 2.93Å; R575-R577 VanDerWaalsContact C-N 3.34Å; R575-D578 PolarHBondContact O-N 3.48Å; R575-L579 VanDerWaalsContact O-CG 3.25Å; R575-L579 WeakPolarHBondContact O-CG 3.19Å; R575-L579 PolarHBondContact O-N 3.46Å
576	A	83.8	Confident	78.8	Confident	3 Å²	3	63.9 Å²	63.9	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-61.5	-45.7	174.3	0	0	0	0	0	110.6	F564 K572 L573 E574 L579 F580 L602	F564-A576 HydrophobicContact CD1-CB 4.11Å; F564-A576 HydrophobicContact CE1-CB 3.67Å; K572-A576 PolarHBondContact O-N 2.87Å; L573-A576 WeakPolarHBondContact O-CA 3.22Å; L573-A576 VanDerWaalsContact O-CB 3.29Å; L573-A576 WeakPolarHBondContact O-CB 3.37Å; L573-A576 PolarHBondContact O-N 3.28Å; E574-A576 VanDerWaalsContact C-N 3.32Å; E574-A576 PolarHBondContact O-N 3.3Å; A576-L579 WeakPolarHBondContact O-CB 3.43Å; A576-L579 PolarHBondContact O-N 3.21Å; A576-F580 WeakPolarHBondContact O-CD2 3.44Å; A576-F580 PolarHBondContact O-N 2.82Å; A576-L602 HydrophobicContact CB-CD1 4.03Å; A576-L602 HydrophobicContact CB-CD2 3.94Å
577	R	84.7	Confident	78.4	Confident	25 Å²	25	60.2 Å²	60.2	9%	0.094	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-49.6	176.5	-70.4	170.3	-179.9	155.2	4.8	111.2	L573 E574 R575 L579 F580 E581 Y599 E603	L573-R577 WeakPolarHBondContact O-CG 3.38Å; L573-R577 PolarHBondContact O-N 3.12Å; E574-R577 WeakPolarHBondContact O-CB 3.49Å; E574-R577 PolarHBondContact O-N 3.18Å; E574-R577 IonicContact OE1-NH1 3.91Å; E574-R577 PolarHBondContact OE1-NH1 2.87Å; E574-R577 WeakPolarHBondContact OE2-CD 3.36Å; E574-R577 IonicContact OE2-CZ 3.23Å; E574-R577 IonicContact OE2-NH1 3.82Å; E574-R577 PolarHBondContact OE2-NH1 3.07Å; R575-R577 VanDerWaalsContact C-N 3.34Å; R577-L579 PolarHBondContact O-N 2.9Å; R577-F580 CarbonylContact O-C 3.55Å; R577-F580 PolarHBondContact O-N 2.84Å; R577-E581 WeakPolarHBondContact O-CG 3.39Å; R577-E581 PolarHBondContact O-N 3.16Å; R577-Y599 HydrophobicContact CG-CE2 4.01Å; R577-E603 WeakPolarHBondContact CG-OE1 3.32Å; R577-E603 IonicContact CZ-OE1 3.4Å; R577-E603 IonicContact CZ-OE2 3.02Å; R577-E603 IonicContact NE-OE1 3.19Å; R577-E603 PolarHBondContact NE-OE1 3.31Å; R577-E603 IonicContact NE-OE2 3.41Å; R577-E603 IonicContact NH2-OE1 3.31Å; R577-E603 PolarHBondContact NH2-OE1 3.38Å; R577-E603 IonicContact NH2-OE2 3.17Å; R577-E603 PolarHBondContact NH2-OE2 3.21Å
578	D	86	Confident	78.4	Confident	94 Å²	94	55.7 Å²	55.7	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-40	177.5	-65.2	-21.3	0	0	0	111.7	E574 R575 Q582	E574-D578 VanDerWaalsContact O-CG 3.25Å; E574-D578 PolarHBondContact O-N 2.92Å; R575-D578 PolarHBondContact O-N 3.48Å; D578-Q582 WeakPolarHBondContact O-CB 3.4Å; D578-Q582 WeakPolarHBondContact O-CG 3.41Å; D578-Q582 PolarHBondContact O-N 2.9Å
579	L	84.4	Confident	78.3	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-68	-39.7	175.6	-69.7	176.7	0	0	0	112.8	Y560 L561 F564 R575 A576 R577 A583	Y560-L579 HydrophobicContact CE1-CD1 4.04Å; Y560-L579 HydrophobicContact CE1-CD2 3.56Å; Y560-L579 HydrophobicContact CE1-CG 4.36Å; Y560-L579 HydrophobicContact CE2-CD1 4.16Å; Y560-L579 WeakPolarHBondContact OH-CD1 3.43Å; Y560-L579 WeakPolarHBondContact OH-CD2 3.39Å; L561-L579 HydrophobicContact CD2-CB 4.15Å; F564-L579 HydrophobicContact CD1-CD1 4.13Å; F564-L579 HydrophobicContact CD2-CD1 3.63Å; F564-L579 HydrophobicContact CE1-CD1 4.21Å; F564-L579 HydrophobicContact CE2-CD1 3.71Å; F564-L579 HydrophobicContact CG-CD1 3.85Å; F564-L579 HydrophobicContact CZ-CD1 4.01Å; R575-L579 VanDerWaalsContact O-CG 3.25Å; R575-L579 WeakPolarHBondContact O-CG 3.19Å; R575-L579 PolarHBondContact O-N 3.46Å; A576-L579 WeakPolarHBondContact O-CB 3.43Å; A576-L579 PolarHBondContact O-N 3.21Å; R577-L579 PolarHBondContact O-N 2.9Å; L579-A583 WeakPolarHBondContact O-CB 3.25Å; L579-A583 PolarHBondContact O-N 3.33Å
580	F	83.7	Confident	78.8	Confident	1 Å²	1	62.8 Å²	62.8	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-43.1	174.6	-84.1	-70.3	0	0	0	111.7	L561 I565 A576 R577 A583 L584 L598 Y599 L602	L561-F580 HydrophobicContact CB-CE1 4.43Å; L561-F580 HydrophobicContact CB-CZ 4.37Å; L561-F580 HydrophobicContact CD1-CD1 3.98Å; L561-F580 HydrophobicContact CD1-CE1 3.74Å; L561-F580 HydrophobicContact CD1-CZ 4.45Å; L561-F580 HydrophobicContact CD2-CD1 3.98Å; L561-F580 HydrophobicContact CD2-CD2 4.27Å; L561-F580 HydrophobicContact CD2-CE1 3.92Å; L561-F580 HydrophobicContact CD2-CE2 4.18Å; L561-F580 HydrophobicContact CD2-CG 4.15Å; L561-F580 HydrophobicContact CD2-CZ 4.01Å; L561-F580 HydrophobicContact CG-CE1 4.24Å; I565-F580 HydrophobicContact CD1-CE2 4.33Å; I565-F580 HydrophobicContact CD1-CZ 3.85Å; A576-F580 WeakPolarHBondContact O-CD2 3.44Å; A576-F580 PolarHBondContact O-N 2.82Å; R577-F580 CarbonylContact O-C 3.55Å; R577-F580 PolarHBondContact O-N 2.84Å; F580-A583 PolarHBondContact O-N 3.49Å; F580-L584 WeakPolarHBondContact O-CB 3.33Å; F580-L584 WeakPolarHBondContact O-CG 3.37Å; F580-L584 PolarHBondContact O-N 2.83Å; F580-L598 HydrophobicContact CE1-CB 3.98Å; F580-L598 HydrophobicContact CZ-CB 4.2Å; F580-Y599 HydrophobicContact CB-CD1 4.21Å; F580-Y599 HydrophobicContact CB-CD2 3.87Å; F580-Y599 HydrophobicContact CB-CE1 4.37Å; F580-Y599 HydrophobicContact CB-CE2 4.09Å; F580-Y599 HydrophobicContact CB-CG 3.95Å; F580-Y599 HydrophobicContact CD1-CD2 4.34Å; F580-Y599 HydrophobicContact CD1-CG 4.09Å; F580-Y599 AromaticContact CD2-CD2 3.68Å; F580-Y599 HydrophobicContact CD2-CD2 3.68Å; F580-Y599 HydrophobicContact CD2-CE2 4.26Å; F580-Y599 HydrophobicContact CD2-CG 4.25Å; F580-Y599 HydrophobicContact CE2-CD2 4.31Å; F580-Y599 AromaticContact CG-CD2 3.72Å; F580-Y599 HydrophobicContact CG-CD2 3.72Å; F580-Y599 HydrophobicContact CG-CE2 4.35Å; F580-Y599 AromaticContact CG-CG 3.85Å; F580-Y599 HydrophobicContact CG-CG 3.85Å; F580-L602 HydrophobicContact CD2-CD2 4.35Å; F580-L602 HydrophobicContact CE2-CB 4.26Å; F580-L602 HydrophobicContact CE2-CD1 4.18Å; F580-L602 HydrophobicContact CE2-CD2 4.08Å; F580-L602 HydrophobicContact CE2-CG 4.39Å
581	E	84.7	Confident	79.1	Confident	54 Å²	54	66.3 Å²	66.3	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.3	-61.3	-67.4	163.8	0	0	110.1	R577 A583 L584 D585 Y599 R618	R577-E581 WeakPolarHBondContact O-CG 3.39Å; R577-E581 PolarHBondContact O-N 3.16Å; E581-A583 VanDerWaalsContact C-N 3.31Å; E581-A583 PolarHBondContact O-N 3.42Å; E581-L584 CarbonylContact O-C 3.6Å; E581-L584 PolarHBondContact O-N 3.03Å; E581-L584 VanDerWaalsContact O-N 3.11Å; E581-D585 WeakPolarHBondContact O-CB 3.17Å; E581-D585 PolarHBondContact O-N 3.2Å; E581-Y599 PolarHBondContact OE1-OH 3.48Å; E581-R618 IonicContact OE1-CZ 3Å; E581-R618 IonicContact OE1-NH1 2.68Å; E581-R618 PolarHBondContact OE1-NH1 3.32Å; E581-R618 IonicContact OE1-NH2 3.96Å; E581-R618 IonicContact OE2-NH1 3.93Å; E581-R618 PolarHBondContact OE2-NH1 3.26Å
582	Q	83.4	Confident	79.3	Confident	105 Å²	105	55.7 Å²	55.7	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-36.8	172.1	-75.4	172.7	31	0	0	113.5	W557 D578 L584	W557-Q582 HydrophobicContact CH2-CB 3.93Å; W557-Q582 HydrophobicContact CZ2-CB 4.36Å; D578-Q582 WeakPolarHBondContact O-CB 3.4Å; D578-Q582 WeakPolarHBondContact O-CG 3.41Å; D578-Q582 PolarHBondContact O-N 2.9Å; Q582-L584 VanDerWaalsContact C-N 3.34Å
583	A	80.2	Confident	79.5	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-71.7	-31.3	176.7	0	0	0	0	0	112.1	W550 W557 L561 L579 F580 E581 L595	W550-A583 WeakPolarHBondContact CZ2-O 3.33Å; W557-A583 HydrophobicContact CD2-CB 3.7Å; W557-A583 HydrophobicContact CE3-CB 3.78Å; W557-A583 HydrophobicContact CG-CB 4.16Å; W557-A583 HydrophobicContact CH2-CB 4.24Å; W557-A583 HydrophobicContact CZ2-CB 4.16Å; W557-A583 HydrophobicContact CZ3-CB 4.05Å; L561-A583 HydrophobicContact CD1-CB 4.28Å; L579-A583 WeakPolarHBondContact O-CB 3.25Å; L579-A583 PolarHBondContact O-N 3.33Å; F580-A583 PolarHBondContact O-N 3.49Å; E581-A583 VanDerWaalsContact C-N 3.31Å; E581-A583 PolarHBondContact O-N 3.42Å; A583-L595 HydrophobicContact CB-CD1 4.4Å
584	L	79.2	Confident	79.7	Confident	19 Å²	19	56.9 Å²	56.9	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-80.6	-31	178.4	-68.6	171.2	0	0	0	112.1	F580 E581 Q582 G586 C587 L595 Y596 Y599	F580-L584 WeakPolarHBondContact O-CB 3.33Å; F580-L584 WeakPolarHBondContact O-CG 3.37Å; F580-L584 PolarHBondContact O-N 2.83Å; E581-L584 CarbonylContact O-C 3.6Å; E581-L584 PolarHBondContact O-N 3.03Å; E581-L584 VanDerWaalsContact O-N 3.11Å; Q582-L584 VanDerWaalsContact C-N 3.34Å; L584-G586 VanDerWaalsContact C-N 3.28Å; L584-G586 PolarHBondContact O-N 3.5Å; L584-C587 PolarHBondContact O-N 3.17Å; L584-C587 VanDerWaalsContact O-N 3.1Å; L584-L595 HydrophobicContact CD2-CB 4Å; L584-L595 HydrophobicContact CD2-CD1 4.42Å; L584-Y596 HydrophobicContact CD1-CD1 4.21Å; L584-Y596 HydrophobicContact CD1-CE1 3.64Å; L584-Y596 HydrophobicContact CD2-CD1 4.33Å; L584-Y596 HydrophobicContact CD2-CD2 4.06Å; L584-Y596 HydrophobicContact CD2-CE1 4Å; L584-Y596 HydrophobicContact CD2-CE2 3.68Å; L584-Y596 HydrophobicContact CD2-CG 4.35Å; L584-Y596 HydrophobicContact CG-CE1 4.46Å; L584-Y599 HydrophobicContact CD1-CD1 4Å; L584-Y599 HydrophobicContact CD1-CE1 4.29Å
585	D	76.2	Confident	79.8	Confident	127 Å²	127	51.7 Å²	51.7	68%	0.679	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	79.9	174.2	-73.4	-18.1	0	0	0	110.9	E581	E581-D585 WeakPolarHBondContact O-CB 3.17Å; E581-D585 PolarHBondContact O-N 3.2Å
586	G	71.2	Confident	79.8	Confident	52 Å²	52	49.9 Å²	49.9	54%	0.536	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	119.2	5.5	-179.8	0	0	0	0	0	114.7	W550 L584 P588	W550-G586 PolarHBondContact NE1-O 3.47Å; L584-G586 VanDerWaalsContact C-N 3.28Å; L584-G586 PolarHBondContact O-N 3.5Å; G586-P588 WeakPolarHBondContact O-CD 3.45Å
587	C	71.8	Confident	79.9	Confident	25 Å²	25	51.8 Å²	51.8	17%	0.169	28%	0.276	C	S	.	.			trans	-73.1	127.4	177.9	-174.8	0	0	0	0	111.9	W550 L584 L595	W550-C587 HydrophobicContact CH2-CB 4.09Å; W550-C587 HydrophobicContact CZ2-CB 3.99Å; L584-C587 PolarHBondContact O-N 3.17Å; L584-C587 VanDerWaalsContact O-N 3.1Å; C587-L595 HydrophobicContact CB-CD1 4.29Å
588	P	77.5	Confident	79.8	Confident	47 Å²	47	52.2 Å²	52.2	31%	0.305	28%	0.28	S	S	.	.			trans	-62.7	148.8	166.4	-21.4	33.6	0	0	0	111.9	W550 G586 K590 Y591 A592	W550-P588 HydrophobicContact CB-CG 4.32Å; W550-P588 HydrophobicContact CG-CG 4.38Å; G586-P588 WeakPolarHBondContact O-CD 3.45Å; P588-K590 PolarHBondContact O-N 3.35Å; P588-Y591 PolarHBondContact O-N 3.25Å; P588-Y591 VanDerWaalsContact O-N 3.16Å; P588-A592 PolarHBondContact O-N 3.04Å
589	P	73.9	Confident	79.7	Confident	69 Å²	69	48.1 Å²	48.1	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-21.6	-174.9	23.6	-34.3	0	0	0	113.8
590	K	74.9	Confident	79.7	Confident	146 Å²	146	47.9 Å²	47.9	64%	0.635	26%	0.256	S	S	*	.	H	α-helix	trans	-66.3	-38.8	178.8	-61.2	-172	178.6	-174.6	0	113.6	P588	P588-K590 PolarHBondContact O-N 3.35Å
591	Y	73.1	Confident	79.7	Confident	97 Å²	97	52.3 Å²	52.3	38%	0.38	28%	0.277	S	S	.	.	H	α-helix	trans	-96.9	-10.6	-177.8	-61.6	-70.6	0	0	0	112.5	W550 P551 P588 K593 T594	W550-Y591 HydrophobicContact CE3-CD2 4.5Å; P551-Y591 HydrophobicContact CB-CE2 4.16Å; P588-Y591 PolarHBondContact O-N 3.25Å; P588-Y591 VanDerWaalsContact O-N 3.16Å; Y591-K593 VanDerWaalsContact C-N 3.33Å; Y591-K593 PolarHBondContact O-N 3.01Å; Y591-T594 PolarHBondContact O-N 3.32Å
592	A	78.2	Confident	79.6	Confident	4 Å²	4	50 Å²	50	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-39.6	-177.7	0	0	0	0	0	112.4	P588 T594 L595 Y596	P588-A592 PolarHBondContact O-N 3.04Å; A592-T594 VanDerWaalsContact C-N 3.31Å; A592-T594 PolarHBondContact O-N 3.33Å; A592-L595 PolarHBondContact O-N 3.1Å; A592-Y596 HydrophobicContact CB-CD2 3.95Å; A592-Y596 HydrophobicContact CB-CE2 3.98Å; A592-Y596 WeakPolarHBondContact O-CB 3.37Å; A592-Y596 WeakPolarHBondContact O-CD2 3.31Å; A592-Y596 PolarHBondContact O-N 2.82Å
593	K	79.8	Confident	79.5	Confident	50 Å²	50	45 Å²	45	22%	0.217	24%	0.243	C	C	.	.	H	α-helix	trans	-52.6	-47.6	-179.7	-178.3	172.9	179	174.8	0	111.9	Y591 L597 V623 D630 M631	Y591-K593 VanDerWaalsContact C-N 3.33Å; Y591-K593 PolarHBondContact O-N 3.01Å; K593-L597 HydrophobicContact CG-CD1 3.92Å; K593-L597 HydrophobicContact CG-CG 4.48Å; K593-L597 WeakPolarHBondContact O-CB 3.42Å; K593-L597 WeakPolarHBondContact O-CG 3.28Å; K593-L597 PolarHBondContact O-N 3.21Å; K593-V623 HydrophobicContact CB-CG2 4.41Å; K593-D630 IonicContact NZ-OD2 2.87Å; K593-D630 PolarHBondContact NZ-OD2 2.81Å; K593-M631 HydrophobicContact CG-SD 4.2Å
594	T	83.3	Confident	79.6	Confident	85 Å²	85	47.6 Å²	47.6	52%	0.521	26%	0.255	S	S	.	.	H	α-helix	trans	-66.8	-44.1	-178.5	-51.4	0	0	0	0	111.8	Y591 A592 L597 L598	Y591-T594 PolarHBondContact O-N 3.32Å; A592-T594 VanDerWaalsContact C-N 3.31Å; A592-T594 PolarHBondContact O-N 3.33Å; T594-L597 PolarHBondContact O-N 3.5Å; T594-L598 HydrophobicContact CG2-CD1 4.24Å; T594-L598 WeakPolarHBondContact O-CB 3.37Å; T594-L598 VanDerWaalsContact O-CG 3.31Å; T594-L598 WeakPolarHBondContact O-CG 3.46Å; T594-L598 PolarHBondContact O-N 2.82Å
595	L	82.3	Confident	79.7	Confident	11 Å²	11	53 Å²	53	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-43	179.2	-65.2	176.3	0	0	0	111.8	W550 L561 A583 L584 C587 A592 L598 Y599	W550-L595 HydrophobicContact CH2-CD1 4.05Å; L561-L595 HydrophobicContact CD1-CD2 3.64Å; A583-L595 HydrophobicContact CB-CD1 4.4Å; L584-L595 HydrophobicContact CD2-CB 4Å; L584-L595 HydrophobicContact CD2-CD1 4.42Å; C587-L595 HydrophobicContact CB-CD1 4.29Å; A592-L595 PolarHBondContact O-N 3.1Å; L595-L598 PolarHBondContact O-N 2.92Å; L595-Y599 WeakPolarHBondContact O-CB 3.46Å; L595-Y599 PolarHBondContact O-N 3.27Å
596	Y	84.1	Confident	79.6	Confident	29 Å²	29	52.7 Å²	52.7	11%	0.114	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-38	176.7	-82.3	-65.2	0	0	0	112.6	L584 A592 Y599 A600 V615 R618 A619 A622	L584-Y596 HydrophobicContact CD1-CD1 4.21Å; L584-Y596 HydrophobicContact CD1-CE1 3.64Å; L584-Y596 HydrophobicContact CD2-CD1 4.33Å; L584-Y596 HydrophobicContact CD2-CD2 4.06Å; L584-Y596 HydrophobicContact CD2-CE1 4Å; L584-Y596 HydrophobicContact CD2-CE2 3.68Å; L584-Y596 HydrophobicContact CD2-CG 4.35Å; L584-Y596 HydrophobicContact CG-CE1 4.46Å; A592-Y596 HydrophobicContact CB-CD2 3.95Å; A592-Y596 HydrophobicContact CB-CE2 3.98Å; A592-Y596 WeakPolarHBondContact O-CB 3.37Å; A592-Y596 WeakPolarHBondContact O-CD2 3.31Å; A592-Y596 PolarHBondContact O-N 2.82Å; Y596-Y599 PolarHBondContact O-N 3.2Å; Y596-A600 WeakPolarHBondContact O-CB 3.46Å; Y596-A600 PolarHBondContact O-N 2.97Å; Y596-V615 HydrophobicContact CD1-CG1 4.03Å; Y596-R618 HydrophobicContact CE1-CB 4.25Å; Y596-A619 HydrophobicContact CD1-CB 3.85Å; Y596-A619 HydrophobicContact CD2-CB 4.16Å; Y596-A619 HydrophobicContact CG-CB 3.64Å; Y596-A622 HydrophobicContact CD2-CB 4.38Å; Y596-A622 HydrophobicContact CE2-CB 3.43Å; Y596-A622 VanDerWaalsContact CE2-CB 3.43Å
597	L	84.8	Confident	79.8	Confident	43 Å²	43	51.5 Å²	51.5	23%	0.225	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-42	175	-72.6	173.1	0	0	0	111.5	K593 T594 A600 Q601 M631 I634	K593-L597 HydrophobicContact CG-CD1 3.92Å; K593-L597 HydrophobicContact CG-CG 4.48Å; K593-L597 WeakPolarHBondContact O-CB 3.42Å; K593-L597 WeakPolarHBondContact O-CG 3.28Å; K593-L597 PolarHBondContact O-N 3.21Å; T594-L597 PolarHBondContact O-N 3.5Å; L597-A600 PolarHBondContact O-N 3.07Å; L597-Q601 WeakPolarHBondContact O-CB 3.35Å; L597-Q601 VanDerWaalsContact O-CG 3.23Å; L597-Q601 WeakPolarHBondContact O-CG 3.45Å; L597-Q601 PolarHBondContact O-N 3.37Å; L597-M631 HydrophobicContact CD2-CE 4.33Å; L597-M631 HydrophobicContact CD2-SD 4.42Å; L597-I634 HydrophobicContact CD2-CD1 4.11Å
598	L	83.5	Confident	80.2	Confident	34 Å²	34	55 Å²	55	18%	0.178	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-40.8	174.5	-71.9	172.2	0	0	0	112	F580 T594 L595 Q601 L602	F580-L598 HydrophobicContact CE1-CB 3.98Å; F580-L598 HydrophobicContact CZ-CB 4.2Å; T594-L598 HydrophobicContact CG2-CD1 4.24Å; T594-L598 WeakPolarHBondContact O-CB 3.37Å; T594-L598 VanDerWaalsContact O-CG 3.31Å; T594-L598 WeakPolarHBondContact O-CG 3.46Å; T594-L598 PolarHBondContact O-N 2.82Å; L595-L598 PolarHBondContact O-N 2.92Å; L598-Q601 PolarHBondContact O-N 3.48Å; L598-L602 PolarHBondContact O-N 3.44Å
599	Y	84.2	Confident	80.2	Confident	7 Å²	7	54.6 Å²	54.6	3%	0.027	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-44	177	-173.4	-160.8	0	0	0	111.2	R577 F580 E581 L584 L595 Y596 L602 E603 V615	R577-Y599 HydrophobicContact CG-CE2 4.01Å; F580-Y599 HydrophobicContact CB-CD1 4.21Å; F580-Y599 HydrophobicContact CB-CD2 3.87Å; F580-Y599 HydrophobicContact CB-CE1 4.37Å; F580-Y599 HydrophobicContact CB-CE2 4.09Å; F580-Y599 HydrophobicContact CB-CG 3.95Å; F580-Y599 HydrophobicContact CD1-CD2 4.34Å; F580-Y599 HydrophobicContact CD1-CG 4.09Å; F580-Y599 AromaticContact CD2-CD2 3.68Å; F580-Y599 HydrophobicContact CD2-CD2 3.68Å; F580-Y599 HydrophobicContact CD2-CE2 4.26Å; F580-Y599 HydrophobicContact CD2-CG 4.25Å; F580-Y599 HydrophobicContact CE2-CD2 4.31Å; F580-Y599 AromaticContact CG-CD2 3.72Å; F580-Y599 HydrophobicContact CG-CD2 3.72Å; F580-Y599 HydrophobicContact CG-CE2 4.35Å; F580-Y599 AromaticContact CG-CG 3.85Å; F580-Y599 HydrophobicContact CG-CG 3.85Å; E581-Y599 PolarHBondContact OE1-OH 3.48Å; L584-Y599 HydrophobicContact CD1-CD1 4Å; L584-Y599 HydrophobicContact CD1-CE1 4.29Å; L595-Y599 WeakPolarHBondContact O-CB 3.46Å; L595-Y599 PolarHBondContact O-N 3.27Å; Y596-Y599 PolarHBondContact O-N 3.2Å; Y599-L602 HydrophobicContact CD2-CD2 4.47Å; Y599-L602 PolarHBondContact O-N 3.26Å; Y599-E603 HydrophobicContact CD2-CG 4.1Å; Y599-E603 HydrophobicContact CE2-CG 3.91Å; Y599-E603 WeakPolarHBondContact O-CG 3.41Å; Y599-E603 PolarHBondContact O-N 2.92Å; Y599-V615 HydrophobicContact CD1-CB 4.27Å; Y599-V615 HydrophobicContact CD1-CG1 3.53Å; Y599-V615 HydrophobicContact CD1-CG2 3.62Å; Y599-V615 HydrophobicContact CD2-CG2 4.49Å; Y599-V615 HydrophobicContact CE1-CB 4.49Å; Y599-V615 HydrophobicContact CE1-CG1 4.21Å; Y599-V615 HydrophobicContact CE1-CG2 3.43Å; Y599-V615 VanDerWaalsContact CE1-CG2 3.43Å; Y599-V615 HydrophobicContact CE2-CG2 4.3Å; Y599-V615 HydrophobicContact CG-CG1 3.94Å; Y599-V615 HydrophobicContact CG-CG2 4.18Å
600	A	83.1	Confident	80.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-40.8	177.3	0	0	0	0	0	111.8	Y596 L597 E603 E604 V615 Y616	Y596-A600 WeakPolarHBondContact O-CB 3.46Å; Y596-A600 PolarHBondContact O-N 2.97Å; L597-A600 PolarHBondContact O-N 3.07Å; A600-E603 CarbonylContact O-C 3.58Å; A600-E603 PolarHBondContact O-N 2.71Å; A600-E604 WeakPolarHBondContact O-CB 3.2Å; A600-E604 VanDerWaalsContact O-CG 3.32Å; A600-E604 WeakPolarHBondContact O-CG 3.31Å; A600-E604 PolarHBondContact O-N 3.45Å; A600-V615 HydrophobicContact CB-CG1 4.02Å; A600-Y616 HydrophobicContact CB-CD1 4.09Å; A600-Y616 HydrophobicContact CB-CE1 3.49Å; A600-Y616 VanDerWaalsContact CB-CE1 3.49Å; A600-Y616 HydrophobicContact CB-CE2 4.02Å; A600-Y616 VanDerWaalsContact CB-CZ 3.44Å
601	Q	84	Confident	80.8	Confident	94 Å²	94	57.5 Å²	57.5	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-42.7	174.2	-77.1	173.4	-7.7	0	0	112.1	L597 L598 E603 E604 E605	L597-Q601 WeakPolarHBondContact O-CB 3.35Å; L597-Q601 VanDerWaalsContact O-CG 3.23Å; L597-Q601 WeakPolarHBondContact O-CG 3.45Å; L597-Q601 PolarHBondContact O-N 3.37Å; L598-Q601 PolarHBondContact O-N 3.48Å; Q601-E603 VanDerWaalsContact C-N 3.33Å; Q601-E603 PolarHBondContact O-N 3.05Å; Q601-E604 PolarHBondContact O-N 3.09Å; Q601-E605 WeakPolarHBondContact O-CG 3.22Å; Q601-E605 PolarHBondContact O-N 3.37Å
602	L	82.9	Confident	81.3	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-44	174.3	176.1	119.7	0	0	0	111.4	I565 L573 A576 F580 L598 Y599 W606	I565-L602 HydrophobicContact CD1-CD1 4.35Å; I565-L602 HydrophobicContact CG1-CD1 3.63Å; I565-L602 HydrophobicContact CG2-CD1 4.44Å; L573-L602 HydrophobicContact CD2-CD2 4.21Å; L573-L602 HydrophobicContact CD2-CG 4.42Å; A576-L602 HydrophobicContact CB-CD1 4.03Å; A576-L602 HydrophobicContact CB-CD2 3.94Å; F580-L602 HydrophobicContact CD2-CD2 4.35Å; F580-L602 HydrophobicContact CE2-CB 4.26Å; F580-L602 HydrophobicContact CE2-CD1 4.18Å; F580-L602 HydrophobicContact CE2-CD2 4.08Å; F580-L602 HydrophobicContact CE2-CG 4.39Å; L598-L602 PolarHBondContact O-N 3.44Å; Y599-L602 HydrophobicContact CD2-CD2 4.47Å; Y599-L602 PolarHBondContact O-N 3.26Å; L602-W606 PolarHBondContact O-N 2.8Å; L602-W606 VanDerWaalsContact O-N 3.07Å
603	E	82.3	Confident	81.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.3	-30.7	177.2	-69.2	-63.6	153.5	0	0	113.1	R577 Y599 A600 Q601 G607 H611 A612 V615	R577-E603 WeakPolarHBondContact CG-OE1 3.32Å; R577-E603 IonicContact CZ-OE1 3.4Å; R577-E603 IonicContact CZ-OE2 3.02Å; R577-E603 IonicContact NE-OE1 3.19Å; R577-E603 PolarHBondContact NE-OE1 3.31Å; R577-E603 IonicContact NE-OE2 3.41Å; R577-E603 IonicContact NH2-OE1 3.31Å; R577-E603 PolarHBondContact NH2-OE1 3.38Å; R577-E603 IonicContact NH2-OE2 3.17Å; R577-E603 PolarHBondContact NH2-OE2 3.21Å; Y599-E603 HydrophobicContact CD2-CG 4.1Å; Y599-E603 HydrophobicContact CE2-CG 3.91Å; Y599-E603 WeakPolarHBondContact O-CG 3.41Å; Y599-E603 PolarHBondContact O-N 2.92Å; A600-E603 CarbonylContact O-C 3.58Å; A600-E603 PolarHBondContact O-N 2.71Å; Q601-E603 VanDerWaalsContact C-N 3.33Å; Q601-E603 PolarHBondContact O-N 3.05Å; E603-G607 CarbonylContact O-C 3.58Å; E603-G607 VanDerWaalsContact O-C 3.28Å; E603-G607 WeakPolarHBondContact O-CA 3.46Å; E603-G607 PolarHBondContact O-N 2.86Å; E603-G607 WeakPolarHBondContact OE2-CA 3.12Å; E603-H611 HydrophobicContact CG-CB 4.44Å; E603-H611 WeakPolarHBondContact OE2-CB 3.48Å; E603-A612 HydrophobicContact CB-CB 3.88Å; E603-V615 HydrophobicContact CG-CG2 4.38Å
604	E	81.5	Confident	81.7	Confident	54 Å²	54	53 Å²	53	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-68.8	-42.4	174.8	-78.6	-172.8	157.9	0	0	111.9	A600 Q601 A612 Y616 R638	A600-E604 WeakPolarHBondContact O-CB 3.2Å; A600-E604 VanDerWaalsContact O-CG 3.32Å; A600-E604 WeakPolarHBondContact O-CG 3.31Å; A600-E604 PolarHBondContact O-N 3.45Å; Q601-E604 PolarHBondContact O-N 3.09Å; E604-A612 HydrophobicContact CG-CB 4.11Å; E604-Y616 HydrophobicContact CG-CE2 4.44Å; E604-Y616 WeakPolarHBondContact OE1-CE2 3.42Å; E604-Y616 PolarHBondContact OE1-OH 2.98Å; E604-R638 WeakPolarHBondContact OE1-CD 3.38Å; E604-R638 VanDerWaalsContact OE1-CG 3.27Å; E604-R638 WeakPolarHBondContact OE1-CG 2.88Å; E604-R638 IonicContact OE1-CZ 2.97Å; E604-R638 IonicContact OE1-NE 3.05Å; E604-R638 PolarHBondContact OE1-NE 2.92Å; E604-R638 IonicContact OE1-NH2 2.76Å; E604-R638 IonicContact OE2-CZ 2.85Å; E604-R638 VanDerWaalsContact OE2-CZ 3.28Å; E604-R638 IonicContact OE2-NE 3.03Å; E604-R638 PolarHBondContact OE2-NE 3.46Å; E604-R638 IonicContact OE2-NH2 2.83Å; E604-R638 PolarHBondContact OE2-NH2 3.25Å
605	E	82	Confident	81.8	Confident	133 Å²	133	49 Å²	49	62%	0.621	24%	0.24	S	C	*	.	H	α-helix	trans	-78.3	-40.8	-176.1	-71.7	-178.4	178.2	0	0	113.1	Q601	Q601-E605 WeakPolarHBondContact O-CG 3.22Å; Q601-E605 PolarHBondContact O-N 3.37Å
606	W	74.4	Confident	81.9	Confident	120 Å²	120	48.7 Å²	48.7	46%	0.455	24%	0.238	S	C	.	.	H	α-helix	trans	-124.2	-18.6	-167.9	-55.7	100.7	0	0	0	113.5	G569 L573 L602	G569-W606 VanDerWaalsContact O-CE3 3.26Å; G569-W606 WeakPolarHBondContact O-CH2 3.26Å; G569-W606 WeakPolarHBondContact O-CZ3 3.26Å; L573-W606 HydrophobicContact CD1-CB 4.17Å; L573-W606 WeakPolarHBondContact CD1-O 3.47Å; L573-W606 HydrophobicContact CD2-CB 3.57Å; L573-W606 HydrophobicContact CD2-CG 4.49Å; L573-W606 HydrophobicContact CG-CB 4.4Å; L602-W606 PolarHBondContact O-N 2.8Å; L602-W606 VanDerWaalsContact O-N 3.07Å
607	G	75.3	Confident	81.9	Confident	27 Å²	27	48.8 Å²	48.8	28%	0.278	24%	0.241	S	C	.	.	S	Bend	trans	-94.9	-166	-170.6	0	0	0	0	0	114.5	E603	E603-G607 CarbonylContact O-C 3.58Å; E603-G607 VanDerWaalsContact O-C 3.28Å; E603-G607 WeakPolarHBondContact O-CA 3.46Å; E603-G607 PolarHBondContact O-N 2.86Å; E603-G607 WeakPolarHBondContact OE2-CA 3.12Å
608	L	79.2	Confident	81.9	Confident	98 Å²	98	51.5 Å²	51.5	51%	0.513	25%	0.248	S	C	.	.			trans	-89.1	130.1	173.3	-75.9	142.3	0	0	0	108.1	R610 H611 A612	L608-R610 PolarHBondContact O-N 3.14Å; L608-H611 HydrophobicContact CB-CB 4.4Å; L608-H611 WeakPolarHBondContact O-CA 2.91Å; L608-H611 WeakPolarHBondContact O-CB 3.39Å; L608-H611 PolarHBondContact O-N 2.86Å; L608-A612 PolarHBondContact O-N 3.23Å
609	A	78	Confident	81.9	Confident	40 Å²	40	49.9 Å²	49.9	33%	0.331	24%	0.24	S	C	.	.	H	α-helix	trans	-48.7	-32.4	172	0	0	0	0	0	113.6	A612 M613 I642 Y643	A609-A612 PolarHBondContact O-N 2.68Å; A609-M613 WeakPolarHBondContact O-CG 3.29Å; A609-M613 PolarHBondContact O-N 3.16Å; A609-I642 HydrophobicContact CB-CG2 3.68Å; A609-Y643 HydrophobicContact CB-CE2 4.44Å
610	R	80.9	Confident	81.7	Confident	197 Å²	197	49.8 Å²	49.8	74%	0.743	24%	0.24	S	C	*	.	H	α-helix	trans	-65.9	-39.9	175	-69.9	-174.7	179.2	-176.5	0.3	112.7	L608 A614 Y643	L608-R610 PolarHBondContact O-N 3.14Å; R610-A614 PolarHBondContact O-N 3.44Å; R610-Y643 WeakPolarHBondContact CA-OH 3.36Å; R610-Y643 WeakPolarHBondContact CG-OH 3.43Å; R610-Y643 PolarHBondContact N-OH 3.42Å
611	H	81	Confident	81.6	Confident	78 Å²	78	58.9 Å²	58.9	36%	0.361	27%	0.274	S	S	.	.	H	α-helix	trans	-71.4	-40.9	176.3	-70.5	-29	0	0	0	110.9	E603 L608 M613 A614 V615	E603-H611 HydrophobicContact CG-CB 4.44Å; E603-H611 WeakPolarHBondContact OE2-CB 3.48Å; L608-H611 HydrophobicContact CB-CB 4.4Å; L608-H611 WeakPolarHBondContact O-CA 2.91Å; L608-H611 WeakPolarHBondContact O-CB 3.39Å; L608-H611 PolarHBondContact O-N 2.86Å; H611-M613 VanDerWaalsContact C-N 3.3Å; H611-M613 PolarHBondContact O-N 3.02Å; H611-A614 CarbonylContact O-C 3.55Å; H611-A614 PolarHBondContact O-N 3.34Å; H611-A614 VanDerWaalsContact O-N 3.07Å; H611-V615 VanDerWaalsContact O-CG2 3.32Å; H611-V615 WeakPolarHBondContact O-CG2 3.24Å; H611-V615 PolarHBondContact O-N 3.03Å
612	A	82.7	Confident	81.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.2	-46.5	172.2	0	0	0	0	0	111.7	E603 E604 L608 A609 A614 V615 Y616	E603-A612 HydrophobicContact CB-CB 3.88Å; E604-A612 HydrophobicContact CG-CB 4.11Å; L608-A612 PolarHBondContact O-N 3.23Å; A609-A612 PolarHBondContact O-N 2.68Å; A612-A614 PolarHBondContact O-N 3.1Å; A612-V615 PolarHBondContact O-N 3.15Å; A612-Y616 WeakPolarHBondContact O-CD2 3.4Å; A612-Y616 PolarHBondContact O-N 3.48Å
613	M	80.9	Confident	81.1	Confident	18 Å²	18	56 Å²	56	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-37.9	175.7	-66.9	-57.9	146.3	0	0	113.5	A609 H611 V615 Y616 D617 Y635 R638 A639 I642 Y643	A609-M613 WeakPolarHBondContact O-CG 3.29Å; A609-M613 PolarHBondContact O-N 3.16Å; H611-M613 VanDerWaalsContact C-N 3.3Å; H611-M613 PolarHBondContact O-N 3.02Å; M613-V615 VanDerWaalsContact C-N 3.3Å; M613-V615 PolarHBondContact O-N 2.89Å; M613-Y616 PolarHBondContact O-N 3.35Å; M613-Y616 HydrophobicContact SD-CD2 4.36Å; M613-D617 WeakPolarHBondContact O-CB 3.24Å; M613-D617 PolarHBondContact O-N 3.28Å; M613-Y635 HydrophobicContact CB-CE2 4.34Å; M613-Y635 HydrophobicContact SD-CD2 4.02Å; M613-Y635 HydrophobicContact SD-CE2 3.57Å; M613-Y635 VanDerWaalsContact SD-CE2 3.57Å; M613-R638 HydrophobicContact CE-CB 4.23Å; M613-A639 HydrophobicContact CE-CB 4.48Å; M613-A639 HydrophobicContact SD-CB 4.07Å; M613-I642 HydrophobicContact CE-CB 3.91Å; M613-I642 HydrophobicContact CE-CD1 3.28Å; M613-I642 HydrophobicContact CE-CG1 4.08Å; M613-I642 HydrophobicContact CE-CG2 4.27Å; M613-Y643 HydrophobicContact CE-CD2 4.13Å; M613-Y643 HydrophobicContact CE-CE2 4.14Å; M613-Y643 HydrophobicContact CG-CD2 3.94Å; M613-Y643 HydrophobicContact CG-CE2 3.41Å; M613-Y643 VanDerWaalsContact CG-CE2 3.41Å; M613-Y643 HydrophobicContact SD-CD2 4.4Å; M613-Y643 HydrophobicContact SD-CE2 4.38Å
614	A	85	Confident	81	Confident	39 Å²	39	59.8 Å²	59.8	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-34.8	175.2	0	0	0	0	0	111.9	R610 H611 A612 R618	R610-A614 PolarHBondContact O-N 3.44Å; H611-A614 CarbonylContact O-C 3.55Å; H611-A614 PolarHBondContact O-N 3.34Å; H611-A614 VanDerWaalsContact O-N 3.07Å; A612-A614 PolarHBondContact O-N 3.1Å; A614-R618 WeakPolarHBondContact O-CB 3.36Å; A614-R618 WeakPolarHBondContact O-CG 3.47Å; A614-R618 PolarHBondContact O-N 3.37Å
615	V	85.5	Confident	80.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-68.3	-42.6	173.5	174.7	0	0	0	0	110.3	Y596 Y599 A600 E603 H611 A612 M613 R618 A619	Y596-V615 HydrophobicContact CD1-CG1 4.03Å; Y599-V615 HydrophobicContact CD1-CB 4.27Å; Y599-V615 HydrophobicContact CD1-CG1 3.53Å; Y599-V615 HydrophobicContact CD1-CG2 3.62Å; Y599-V615 HydrophobicContact CD2-CG2 4.49Å; Y599-V615 HydrophobicContact CE1-CB 4.49Å; Y599-V615 HydrophobicContact CE1-CG1 4.21Å; Y599-V615 HydrophobicContact CE1-CG2 3.43Å; Y599-V615 VanDerWaalsContact CE1-CG2 3.43Å; Y599-V615 HydrophobicContact CE2-CG2 4.3Å; Y599-V615 HydrophobicContact CG-CG1 3.94Å; Y599-V615 HydrophobicContact CG-CG2 4.18Å; A600-V615 HydrophobicContact CB-CG1 4.02Å; E603-V615 HydrophobicContact CG-CG2 4.38Å; H611-V615 VanDerWaalsContact O-CG2 3.32Å; H611-V615 WeakPolarHBondContact O-CG2 3.24Å; H611-V615 PolarHBondContact O-N 3.03Å; A612-V615 PolarHBondContact O-N 3.15Å; M613-V615 VanDerWaalsContact C-N 3.3Å; M613-V615 PolarHBondContact O-N 2.89Å; V615-R618 PolarHBondContact O-N 2.9Å; V615-A619 VanDerWaalsContact O-CB 3.27Å; V615-A619 WeakPolarHBondContact O-CB 3.48Å; V615-A619 PolarHBondContact O-N 2.92Å
616	Y	84.8	Confident	80.5	Confident	5 Å²	5	59.5 Å²	59.5	2%	0.02	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-42.7	173.8	-74.1	-56.6	0	0	0	112.8	A600 E604 A612 M613 R618 A619 T620 I634 Y635 R638	A600-Y616 HydrophobicContact CB-CD1 4.09Å; A600-Y616 HydrophobicContact CB-CE1 3.49Å; A600-Y616 VanDerWaalsContact CB-CE1 3.49Å; A600-Y616 HydrophobicContact CB-CE2 4.02Å; A600-Y616 VanDerWaalsContact CB-CZ 3.44Å; E604-Y616 HydrophobicContact CG-CE2 4.44Å; E604-Y616 WeakPolarHBondContact OE1-CE2 3.42Å; E604-Y616 PolarHBondContact OE1-OH 2.98Å; A612-Y616 WeakPolarHBondContact O-CD2 3.4Å; A612-Y616 PolarHBondContact O-N 3.48Å; M613-Y616 PolarHBondContact O-N 3.35Å; M613-Y616 HydrophobicContact SD-CD2 4.36Å; Y616-R618 VanDerWaalsContact C-N 3.32Å; Y616-R618 PolarHBondContact O-N 3.49Å; Y616-A619 WeakPolarHBondContact O-CB 3.12Å; Y616-A619 PolarHBondContact O-N 3.48Å; Y616-T620 WeakPolarHBondContact O-CG2 3.26Å; Y616-T620 PolarHBondContact O-N 3.31Å; Y616-I634 HydrophobicContact CD1-CG2 4.49Å; Y616-I634 HydrophobicContact CE1-CG2 3.86Å; Y616-Y635 HydrophobicContact CD2-CD2 4.33Å; Y616-Y635 HydrophobicContact CG-CD2 4.02Å; Y616-R638 HydrophobicContact CD2-CB 4.48Å; Y616-R638 HydrophobicContact CE2-CB 3.97Å; Y616-R638 HydrophobicContact CE2-CG 3.95Å
617	D	84.2	Confident	80.7	Confident	32 Å²	32	56 Å²	56	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-31.6	176.5	-161.6	56.5	0	0	0	112.4	M613 T620 K654	M613-D617 WeakPolarHBondContact O-CB 3.24Å; M613-D617 PolarHBondContact O-N 3.28Å; D617-T620 PolarHBondContact O-OG1 2.8Å; D617-K654 IonicContact OD1-NZ 3.18Å; D617-K654 PolarHBondContact OD1-NZ 3.02Å; D617-K654 IonicContact OD2-NZ 2.81Å; D617-K654 PolarHBondContact OD2-NZ 3.03Å
618	R	85.1	Confident	81	Confident	99 Å²	99	56.1 Å²	56.1	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-70.4	-41.4	169.8	-79.1	-170.3	-93.9	166.1	-4.8	111.4	E581 Y596 A614 V615 Y616 T620 R621 A622	E581-R618 IonicContact OE1-CZ 3Å; E581-R618 IonicContact OE1-NH1 2.68Å; E581-R618 PolarHBondContact OE1-NH1 3.32Å; E581-R618 IonicContact OE1-NH2 3.96Å; E581-R618 IonicContact OE2-NH1 3.93Å; E581-R618 PolarHBondContact OE2-NH1 3.26Å; Y596-R618 HydrophobicContact CE1-CB 4.25Å; A614-R618 WeakPolarHBondContact O-CB 3.36Å; A614-R618 WeakPolarHBondContact O-CG 3.47Å; A614-R618 PolarHBondContact O-N 3.37Å; V615-R618 PolarHBondContact O-N 2.9Å; Y616-R618 VanDerWaalsContact C-N 3.32Å; Y616-R618 PolarHBondContact O-N 3.49Å; R618-T620 VanDerWaalsContact C-N 3.35Å; R618-T620 PolarHBondContact O-N 2.87Å; R618-R621 PolarHBondContact O-N 3.24Å; R618-A622 PolarHBondContact O-N 3.38Å
619	A	83.2	Confident	81.1	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-37.9	-179.6	0	0	0	0	0	112.2	Y596 V615 Y616 R621 A622 V623 M631	Y596-A619 HydrophobicContact CD1-CB 3.85Å; Y596-A619 HydrophobicContact CD2-CB 4.16Å; Y596-A619 HydrophobicContact CG-CB 3.64Å; V615-A619 VanDerWaalsContact O-CB 3.27Å; V615-A619 WeakPolarHBondContact O-CB 3.48Å; V615-A619 PolarHBondContact O-N 2.92Å; Y616-A619 WeakPolarHBondContact O-CB 3.12Å; Y616-A619 PolarHBondContact O-N 3.48Å; A619-R621 PolarHBondContact O-N 2.98Å; A619-A622 PolarHBondContact O-N 2.87Å; A619-V623 VanDerWaalsContact O-CB 3.25Å; A619-V623 WeakPolarHBondContact O-CB 3.39Å; A619-V623 WeakPolarHBondContact O-CG2 3.37Å; A619-V623 PolarHBondContact O-N 3.48Å; A619-V623 VanDerWaalsContact O-N 3.13Å; A619-M631 HydrophobicContact CB-CE 3.68Å
620	T	79.6	Confident	81.5	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-28	176.6	54.4	0	0	0	0	113	Y616 D617 R618 M631 F632 Y635	Y616-T620 WeakPolarHBondContact O-CG2 3.26Å; Y616-T620 PolarHBondContact O-N 3.31Å; D617-T620 PolarHBondContact O-OG1 2.8Å; R618-T620 VanDerWaalsContact C-N 3.35Å; R618-T620 PolarHBondContact O-N 2.87Å; T620-M631 HydrophobicContact CG2-CB 4.19Å; T620-F632 HydrophobicContact CG2-CD1 3.97Å; T620-F632 HydrophobicContact CG2-CD2 4.36Å; T620-F632 HydrophobicContact CG2-CE1 3.96Å; T620-F632 HydrophobicContact CG2-CE2 4.34Å; T620-F632 HydrophobicContact CG2-CG 4.18Å; T620-F632 HydrophobicContact CG2-CZ 4.15Å; T620-Y635 HydrophobicContact CG2-CD1 4.27Å
621	R	81.4	Confident	81.5	Confident	191 Å²	191	45.6 Å²	45.6	72%	0.721	24%	0.239	S	C	*	.	H	α-helix	trans	-84.8	-37.2	177	-63	179.1	-178.3	-170.2	-2.9	113.3	R618 A619	R618-R621 PolarHBondContact O-N 3.24Å; A619-R621 PolarHBondContact O-N 2.98Å
622	A	78.8	Confident	81.6	Confident	36 Å²	36	42 Å²	42	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-83.5	-17.6	-173.4	0	0	0	0	0	113.9	Y596 R618 A619	Y596-A622 HydrophobicContact CD2-CB 4.38Å; Y596-A622 HydrophobicContact CE2-CB 3.43Å; Y596-A622 VanDerWaalsContact CE2-CB 3.43Å; R618-A622 PolarHBondContact O-N 3.38Å; A619-A622 PolarHBondContact O-N 2.87Å
623	V	77.9	Confident	81.8	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.024	23%	0.229	C	C	.	.	S	Bend	trans	-84.4	149	-177.3	169.6	0	0	0	0	111.4	K593 A619 Q627 Q628 M631	K593-V623 HydrophobicContact CB-CG2 4.41Å; A619-V623 VanDerWaalsContact O-CB 3.25Å; A619-V623 WeakPolarHBondContact O-CB 3.39Å; A619-V623 WeakPolarHBondContact O-CG2 3.37Å; A619-V623 PolarHBondContact O-N 3.48Å; A619-V623 VanDerWaalsContact O-N 3.13Å; V623-Q627 HydrophobicContact CG1-CB 3.3Å; V623-Q627 HydrophobicContact CG1-CG 4.43Å; V623-Q628 PolarHBondContact O-NE2 2.89Å; V623-M631 HydrophobicContact CB-CG 4.16Å; V623-M631 HydrophobicContact CG1-CG 3.9Å; V623-M631 HydrophobicContact CG2-CG 4.03Å
624	E	80.2	Confident	82.1	Confident	78 Å²	78	44.8 Å²	44.8	36%	0.364	24%	0.237	S	C	.	.			trans	-55.4	141.4	177.5	-171.4	169.9	-158.5	0	0	112.4	A626 Q627 Q628	E624-A626 PolarHBondContact O-N 3.42Å; E624-Q627 WeakPolarHBondContact O-CA 2.98Å; E624-Q627 PolarHBondContact O-N 3.49Å; E624-Q628 PolarHBondContact O-N 3.2Å
625	P	75.2	Confident	82.1	Confident	99 Å²	99	43.9 Å²	43.9	64%	0.643	23%	0.225	S	C	*	.	H	α-helix	trans	-50.9	-37.7	-174.9	-30.5	36	0	0	0	115.2	Q627 Q628	P625-Q627 PolarHBondContact O-N 2.95Å; P625-Q628 WeakPolarHBondContact O-CB 2.93Å; P625-Q628 PolarHBondContact O-N 2.95Å
626	A	77.7	Confident	82.1	Confident	83 Å²	83	44.6 Å²	44.6	69%	0.686	23%	0.229	S	C	*	.	H	α-helix	trans	-62.9	-31.6	177.4	0	0	0	0	0	113.2	E624	E624-A626 PolarHBondContact O-N 3.42Å
627	Q	79.3	Confident	82.2	Confident	46 Å²	46	51.1 Å²	51.1	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-95.7	-6.4	-177	-63.6	177.3	17.9	0	0	112.3	V623 E624 P625 Y629 D630 M631	V623-Q627 HydrophobicContact CG1-CB 3.3Å; V623-Q627 HydrophobicContact CG1-CG 4.43Å; E624-Q627 WeakPolarHBondContact O-CA 2.98Å; E624-Q627 PolarHBondContact O-N 3.49Å; P625-Q627 PolarHBondContact O-N 2.95Å; Q627-Y629 VanDerWaalsContact C-N 3.33Å; Q627-Y629 PolarHBondContact O-N 3.18Å; Q627-D630 PolarHBondContact O-N 3.49Å; Q627-M631 WeakPolarHBondContact O-CG 3.36Å; Q627-M631 PolarHBondContact O-N 2.71Å
628	Q	80.7	Confident	82.2	Confident	30 Å²	30	53.3 Å²	53.3	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-39.9	178.7	-72.1	175.5	-6.1	0	0	111.6	V623 E624 P625 D630 M631 F632	V623-Q628 PolarHBondContact O-NE2 2.89Å; E624-Q628 PolarHBondContact O-N 3.2Å; P625-Q628 WeakPolarHBondContact O-CB 2.93Å; P625-Q628 PolarHBondContact O-N 2.95Å; Q628-D630 VanDerWaalsContact C-N 3.34Å; Q628-D630 PolarHBondContact O-N 2.97Å; Q628-M631 PolarHBondContact O-N 3.31Å; Q628-M631 VanDerWaalsContact O-N 3.14Å; Q628-F632 HydrophobicContact CB-CD2 4.34Å; Q628-F632 HydrophobicContact CB-CE2 4.39Å; Q628-F632 WeakPolarHBondContact O-CD2 3.45Å; Q628-F632 PolarHBondContact O-N 2.83Å
629	Y	82.2	Confident	82.2	Confident	40 Å²	40	48.6 Å²	48.6	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-57.4	-45.7	176.2	178.7	-102.8	0	0	0	112.3	Q627 M631 F632 N633 L659 H663 E666 R670	Q627-Y629 VanDerWaalsContact C-N 3.33Å; Q627-Y629 PolarHBondContact O-N 3.18Å; Y629-M631 VanDerWaalsContact C-N 3.34Å; Y629-M631 PolarHBondContact O-N 3.16Å; Y629-F632 PolarHBondContact O-N 3.26Å; Y629-N633 VanDerWaalsContact CD1-ND2 3.29Å; Y629-N633 WeakPolarHBondContact CD1-ND2 3.46Å; Y629-N633 WeakPolarHBondContact CE1-ND2 3.48Å; Y629-N633 VanDerWaalsContact CZ-ND2 3.3Å; Y629-N633 PolarHBondContact O-N 2.72Å; Y629-N633 PolarHBondContact O-ND2 3.23Å; Y629-L659 HydrophobicContact CD2-CD2 3.7Å; Y629-L659 HydrophobicContact CG-CD2 4.41Å; Y629-H663 HydrophobicContact CD2-CB 3.88Å; Y629-H663 AromaticContact CD2-CG 3.84Å; Y629-H663 AromaticContact CD2-ND1 3.72Å; Y629-H663 HydrophobicContact CE2-CB 4.29Å; Y629-H663 AromaticContact CE2-ND1 3.94Å; Y629-E666 PolarHBondContact OH-OE2 3.32Å; Y629-R670 PolarHBondContact OH-NH2 3.42Å; Y629-R670 VanDerWaalsContact OH-NH2 3.11Å
630	D	84.6	Confident	82.3	Confident	72 Å²	72	50.5 Å²	50.5	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-45	175.4	-70.9	-12.7	0	0	0	111.3	K593 Q627 Q628 N633 I634	K593-D630 IonicContact NZ-OD2 2.87Å; K593-D630 PolarHBondContact NZ-OD2 2.81Å; Q627-D630 PolarHBondContact O-N 3.49Å; Q628-D630 VanDerWaalsContact C-N 3.34Å; Q628-D630 PolarHBondContact O-N 2.97Å; D630-N633 PolarHBondContact O-N 2.98Å; D630-I634 WeakPolarHBondContact O-CG1 3.39Å; D630-I634 PolarHBondContact O-N 3.08Å
631	M	82.1	Confident	82.6	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-40.9	-180	-70.1	-53.8	-52	0	0	112.3	K593 L597 A619 T620 V623 Q627 Q628 Y629 I634 Y635	K593-M631 HydrophobicContact CG-SD 4.2Å; L597-M631 HydrophobicContact CD2-CE 4.33Å; L597-M631 HydrophobicContact CD2-SD 4.42Å; A619-M631 HydrophobicContact CB-CE 3.68Å; T620-M631 HydrophobicContact CG2-CB 4.19Å; V623-M631 HydrophobicContact CB-CG 4.16Å; V623-M631 HydrophobicContact CG1-CG 3.9Å; V623-M631 HydrophobicContact CG2-CG 4.03Å; Q627-M631 WeakPolarHBondContact O-CG 3.36Å; Q627-M631 PolarHBondContact O-N 2.71Å; Q628-M631 PolarHBondContact O-N 3.31Å; Q628-M631 VanDerWaalsContact O-N 3.14Å; Y629-M631 VanDerWaalsContact C-N 3.34Å; Y629-M631 PolarHBondContact O-N 3.16Å; M631-I634 PolarHBondContact O-N 2.8Å; M631-I634 HydrophobicContact SD-CD1 4.38Å; M631-Y635 VanDerWaalsContact O-CB 3.27Å; M631-Y635 WeakPolarHBondContact O-CB 3.47Å; M631-Y635 PolarHBondContact O-N 3Å
632	F	83.8	Confident	82.6	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-38.5	174	-82.9	-71.3	0	0	0	111.7	T620 Q628 Y629 Y635 I636 I651 K654 A655 V658 L659 M667	T620-F632 HydrophobicContact CG2-CD1 3.97Å; T620-F632 HydrophobicContact CG2-CD2 4.36Å; T620-F632 HydrophobicContact CG2-CE1 3.96Å; T620-F632 HydrophobicContact CG2-CE2 4.34Å; T620-F632 HydrophobicContact CG2-CG 4.18Å; T620-F632 HydrophobicContact CG2-CZ 4.15Å; Q628-F632 HydrophobicContact CB-CD2 4.34Å; Q628-F632 HydrophobicContact CB-CE2 4.39Å; Q628-F632 WeakPolarHBondContact O-CD2 3.45Å; Q628-F632 PolarHBondContact O-N 2.83Å; Y629-F632 PolarHBondContact O-N 3.26Å; F632-Y635 PolarHBondContact O-N 3.34Å; F632-I636 WeakPolarHBondContact O-CB 3.36Å; F632-I636 WeakPolarHBondContact O-CD1 3.25Å; F632-I636 WeakPolarHBondContact O-CG1 3.2Å; F632-I636 PolarHBondContact O-N 2.93Å; F632-I651 HydrophobicContact CD1-CG2 4.32Å; F632-K654 HydrophobicContact CE1-CB 4.48Å; F632-A655 HydrophobicContact CD1-CB 3.92Å; F632-A655 HydrophobicContact CE1-CB 4.14Å; F632-A655 HydrophobicContact CG-CB 4.28Å; F632-V658 HydrophobicContact CE2-CB 4.27Å; F632-V658 HydrophobicContact CE2-CG1 4.07Å; F632-V658 HydrophobicContact CZ-CB 4.16Å; F632-V658 HydrophobicContact CZ-CG1 4.29Å; F632-V658 HydrophobicContact CZ-CG2 4.49Å; F632-L659 HydrophobicContact CD2-CD1 3.45Å; F632-L659 VanDerWaalsContact CD2-CD1 3.45Å; F632-L659 HydrophobicContact CD2-CG 4.27Å; F632-L659 HydrophobicContact CE2-CD1 3.65Å; F632-L659 HydrophobicContact CE2-CG 4.48Å; F632-L659 HydrophobicContact CG-CD1 3.98Å; F632-L659 HydrophobicContact CZ-CD1 4.32Å; F632-M667 HydrophobicContact CB-CE 3.73Å
633	N	86.5	Confident	82.6	Confident	25 Å²	25	52.5 Å²	52.5	13%	0.134	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-41.4	174.4	-76.3	-48.2	0	0	0	112.2	Y629 D630 K637 R670	Y629-N633 VanDerWaalsContact CD1-ND2 3.29Å; Y629-N633 WeakPolarHBondContact CD1-ND2 3.46Å; Y629-N633 WeakPolarHBondContact CE1-ND2 3.48Å; Y629-N633 VanDerWaalsContact CZ-ND2 3.3Å; Y629-N633 PolarHBondContact O-N 2.72Å; Y629-N633 PolarHBondContact O-ND2 3.23Å; D630-N633 PolarHBondContact O-N 2.98Å; N633-K637 WeakPolarHBondContact O-CB 3.49Å; N633-K637 VanDerWaalsContact O-CG 3.26Å; N633-K637 WeakPolarHBondContact O-CG 3.4Å; N633-K637 PolarHBondContact O-N 3.43Å; N633-R670 PolarHBondContact OD1-NH1 2.85Å
634	I	86	Confident	82.8	Confident	51 Å²	51	53.6 Å²	53.6	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-47.6	174.6	-66.8	166.8	0	0	0	109.5	L597 Y616 D630 M631 I636 K637 R638	L597-I634 HydrophobicContact CD2-CD1 4.11Å; Y616-I634 HydrophobicContact CD1-CG2 4.49Å; Y616-I634 HydrophobicContact CE1-CG2 3.86Å; D630-I634 WeakPolarHBondContact O-CG1 3.39Å; D630-I634 PolarHBondContact O-N 3.08Å; M631-I634 PolarHBondContact O-N 2.8Å; M631-I634 HydrophobicContact SD-CD1 4.38Å; I634-I636 PolarHBondContact O-N 2.9Å; I634-K637 PolarHBondContact O-N 3.34Å; I634-R638 HydrophobicContact CG2-CG 4.28Å; I634-R638 WeakPolarHBondContact O-CB 3.26Å; I634-R638 WeakPolarHBondContact O-CG 3.19Å; I634-R638 PolarHBondContact O-N 3.31Å
635	Y	85.1	Confident	82.8	Confident	21 Å²	21	53.2 Å²	53.2	8%	0.082	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-42	179.7	-176.5	-147.9	0	0	0	112.3	M613 Y616 T620 M631 F632 R638 A639 I651	M613-Y635 HydrophobicContact CB-CE2 4.34Å; M613-Y635 HydrophobicContact SD-CD2 4.02Å; M613-Y635 HydrophobicContact SD-CE2 3.57Å; M613-Y635 VanDerWaalsContact SD-CE2 3.57Å; Y616-Y635 HydrophobicContact CD2-CD2 4.33Å; Y616-Y635 HydrophobicContact CG-CD2 4.02Å; T620-Y635 HydrophobicContact CG2-CD1 4.27Å; M631-Y635 VanDerWaalsContact O-CB 3.27Å; M631-Y635 WeakPolarHBondContact O-CB 3.47Å; M631-Y635 PolarHBondContact O-N 3Å; F632-Y635 PolarHBondContact O-N 3.34Å; Y635-R638 PolarHBondContact O-N 3.18Å; Y635-A639 WeakPolarHBondContact O-CB 3.47Å; Y635-A639 PolarHBondContact O-N 3.25Å; Y635-I651 HydrophobicContact CD1-CB 4.35Å; Y635-I651 HydrophobicContact CD1-CD1 3.97Å; Y635-I651 HydrophobicContact CD1-CG1 4.08Å; Y635-I651 HydrophobicContact CD1-CG2 3.39Å; Y635-I651 HydrophobicContact CD2-CD1 4.08Å; Y635-I651 HydrophobicContact CE1-CB 4.18Å; Y635-I651 HydrophobicContact CE1-CD1 3.7Å; Y635-I651 HydrophobicContact CE1-CG1 3.57Å; Y635-I651 HydrophobicContact CE1-CG2 3.66Å; Y635-I651 HydrophobicContact CE2-CD1 3.82Å; Y635-I651 HydrophobicContact CE2-CG1 4.5Å; Y635-I651 HydrophobicContact CG-CD1 4.15Å; Y635-I651 HydrophobicContact CG-CG2 4.18Å
636	I	85.4	Confident	83.1	Confident	15 Å²	15	52.4 Å²	52.4	8%	0.077	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-45.6	175.5	-70.1	165.4	0	0	0	111	F632 I634 R638 A639 A640 T648 I651 Y652 M667	F632-I636 WeakPolarHBondContact O-CB 3.36Å; F632-I636 WeakPolarHBondContact O-CD1 3.25Å; F632-I636 WeakPolarHBondContact O-CG1 3.2Å; F632-I636 PolarHBondContact O-N 2.93Å; I634-I636 PolarHBondContact O-N 2.9Å; I636-R638 PolarHBondContact O-N 3.26Å; I636-A639 PolarHBondContact O-N 3.32Å; I636-A640 VanDerWaalsContact O-CB 3.23Å; I636-A640 WeakPolarHBondContact O-CB 3.27Å; I636-A640 PolarHBondContact O-N 3.13Å; I636-T648 HydrophobicContact CG2-CG2 4.37Å; I636-I651 HydrophobicContact CD1-CG2 4.34Å; I636-I651 HydrophobicContact CG1-CB 4.32Å; I636-I651 HydrophobicContact CG1-CG2 3.53Å; I636-Y652 HydrophobicContact CD1-CD1 4.06Å; I636-Y652 HydrophobicContact CD1-CE1 3.7Å; I636-Y652 HydrophobicContact CG2-CE2 4.29Å; I636-M667 HydrophobicContact CD1-CE 3.33Å; I636-M667 HydrophobicContact CD1-SD 4.09Å
637	K	86.8	Confident	83.2	Confident	142 Å²	142	53.5 Å²	53.5	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-59.4	-47.4	177.7	-75.6	175.1	-177.7	-178.7	0	111	N633 I634 A640 E641	N633-K637 WeakPolarHBondContact O-CB 3.49Å; N633-K637 VanDerWaalsContact O-CG 3.26Å; N633-K637 WeakPolarHBondContact O-CG 3.4Å; N633-K637 PolarHBondContact O-N 3.43Å; I634-K637 PolarHBondContact O-N 3.34Å; K637-A640 PolarHBondContact O-N 2.98Å; K637-E641 WeakPolarHBondContact O-CG 3.48Å; K637-E641 PolarHBondContact O-N 3.09Å
638	R	84.2	Confident	83.4	Confident	77 Å²	77	51.5 Å²	51.5	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-69.2	-40.7	-179.8	-66.1	-50.8	-151.1	-167.4	6.8	113.3	E604 M613 Y616 I634 Y635 I636 A640 E641 I642	E604-R638 WeakPolarHBondContact OE1-CD 3.38Å; E604-R638 VanDerWaalsContact OE1-CG 3.27Å; E604-R638 WeakPolarHBondContact OE1-CG 2.88Å; E604-R638 IonicContact OE1-CZ 2.97Å; E604-R638 IonicContact OE1-NE 3.05Å; E604-R638 PolarHBondContact OE1-NE 2.92Å; E604-R638 IonicContact OE1-NH2 2.76Å; E604-R638 IonicContact OE2-CZ 2.85Å; E604-R638 VanDerWaalsContact OE2-CZ 3.28Å; E604-R638 IonicContact OE2-NE 3.03Å; E604-R638 PolarHBondContact OE2-NE 3.46Å; E604-R638 IonicContact OE2-NH2 2.83Å; E604-R638 PolarHBondContact OE2-NH2 3.25Å; M613-R638 HydrophobicContact CE-CB 4.23Å; Y616-R638 HydrophobicContact CD2-CB 4.48Å; Y616-R638 HydrophobicContact CE2-CB 3.97Å; Y616-R638 HydrophobicContact CE2-CG 3.95Å; I634-R638 HydrophobicContact CG2-CG 4.28Å; I634-R638 WeakPolarHBondContact O-CB 3.26Å; I634-R638 WeakPolarHBondContact O-CG 3.19Å; I634-R638 PolarHBondContact O-N 3.31Å; Y635-R638 PolarHBondContact O-N 3.18Å; I636-R638 PolarHBondContact O-N 3.26Å; R638-A640 VanDerWaalsContact C-N 3.31Å; R638-A640 PolarHBondContact O-N 3.15Å; R638-E641 WeakPolarHBondContact CD-OE2 3.5Å; R638-E641 IonicContact CZ-OE2 3.31Å; R638-E641 IonicContact NE-OE2 3.89Å; R638-E641 IonicContact NH1-OE1 2.89Å; R638-E641 IonicContact NH1-OE2 3.43Å; R638-E641 PolarHBondContact NH1-OE2 3.35Å; R638-E641 PolarHBondContact O-N 3.13Å; R638-I642 WeakPolarHBondContact O-CB 3.35Å; R638-I642 WeakPolarHBondContact O-CG1 3.2Å; R638-I642 PolarHBondContact O-N 3.49Å
639	A	85	Confident	83.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-37.1	175.5	0	0	0	0	0	112.1	M613 Y635 I636 Y643 G644 T648 I651	M613-A639 HydrophobicContact CE-CB 4.48Å; M613-A639 HydrophobicContact SD-CB 4.07Å; Y635-A639 WeakPolarHBondContact O-CB 3.47Å; Y635-A639 PolarHBondContact O-N 3.25Å; I636-A639 PolarHBondContact O-N 3.32Å; A639-Y643 PolarHBondContact O-N 2.93Å; A639-G644 PolarHBondContact O-N 3.2Å; A639-T648 HydrophobicContact CB-CG2 4.44Å; A639-I651 HydrophobicContact CB-CD1 3.12Å
640	A	85.5	Confident	83.8	Confident	41 Å²	41	51.8 Å²	51.8	34%	0.339	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-39.5	174	0	0	0	0	0	112.1	I636 K637 R638 G644 T648	I636-A640 VanDerWaalsContact O-CB 3.23Å; I636-A640 WeakPolarHBondContact O-CB 3.27Å; I636-A640 PolarHBondContact O-N 3.13Å; K637-A640 PolarHBondContact O-N 2.98Å; R638-A640 VanDerWaalsContact C-N 3.31Å; R638-A640 PolarHBondContact O-N 3.15Å; A640-G644 WeakPolarHBondContact O-CA 3.4Å; A640-G644 PolarHBondContact O-N 2.89Å; A640-T648 HydrophobicContact CB-CG2 3.91Å
641	E	85.6	Confident	83.8	Confident	131 Å²	131	48.7 Å²	48.7	61%	0.612	26%	0.255	S	S	*	.	H	α-helix	trans	-67.2	-42.4	177.4	-75.6	170.6	-178.3	0	0	112.7	K637 R638	K637-E641 WeakPolarHBondContact O-CG 3.48Å; K637-E641 PolarHBondContact O-N 3.09Å; R638-E641 WeakPolarHBondContact CD-OE2 3.5Å; R638-E641 IonicContact CZ-OE2 3.31Å; R638-E641 IonicContact NE-OE2 3.89Å; R638-E641 IonicContact NH1-OE1 2.89Å; R638-E641 IonicContact NH1-OE2 3.43Å; R638-E641 PolarHBondContact NH1-OE2 3.35Å; R638-E641 PolarHBondContact O-N 3.13Å
642	I	82.7	Confident	84.1	Confident	68 Å²	68	49.7 Å²	49.7	35%	0.349	26%	0.258	S	S	.	.	H	α-helix	trans	-89.9	-47.7	-169.8	-69.1	168.3	0	0	0	112.6	A609 M613 R638	A609-I642 HydrophobicContact CB-CG2 3.68Å; M613-I642 HydrophobicContact CE-CB 3.91Å; M613-I642 HydrophobicContact CE-CD1 3.28Å; M613-I642 HydrophobicContact CE-CG1 4.08Å; M613-I642 HydrophobicContact CE-CG2 4.27Å; R638-I642 WeakPolarHBondContact O-CB 3.35Å; R638-I642 WeakPolarHBondContact O-CG1 3.2Å; R638-I642 PolarHBondContact O-N 3.49Å
643	Y	78.7	Confident	84.2	Confident	74 Å²	74	54.8 Å²	54.8	29%	0.29	28%	0.282	S	S	.	.	H	α-helix	trans	-109.2	-7.5	-170.3	-73.2	-73.4	0	0	0	113.5	A609 R610 M613 A639 H647	A609-Y643 HydrophobicContact CB-CE2 4.44Å; R610-Y643 WeakPolarHBondContact CA-OH 3.36Å; R610-Y643 WeakPolarHBondContact CG-OH 3.43Å; R610-Y643 PolarHBondContact N-OH 3.42Å; M613-Y643 HydrophobicContact CE-CD2 4.13Å; M613-Y643 HydrophobicContact CE-CE2 4.14Å; M613-Y643 HydrophobicContact CG-CD2 3.94Å; M613-Y643 HydrophobicContact CG-CE2 3.41Å; M613-Y643 VanDerWaalsContact CG-CE2 3.41Å; M613-Y643 HydrophobicContact SD-CD2 4.4Å; M613-Y643 HydrophobicContact SD-CE2 4.38Å; A639-Y643 PolarHBondContact O-N 2.93Å; Y643-H647 VanDerWaalsContact CB-CD2 3.46Å; Y643-H647 WeakPolarHBondContact CB-CD2 3.42Å
644	G	81.4	Confident	84.1	Confident	28 Å²	28	57 Å²	57	29%	0.289	29%	0.291	S	S	.	.			trans	81.2	175.6	-176.4	0	0	0	0	0	113.9	A639 A640 T646 H647	A639-G644 PolarHBondContact O-N 3.2Å; A640-G644 WeakPolarHBondContact O-CA 3.4Å; A640-G644 PolarHBondContact O-N 2.89Å; G644-T646 PolarHBondContact O-N 3.18Å; G644-T646 VanDerWaalsContact O-N 3.12Å; G644-H647 PolarHBondContact O-N 2.91Å
645	V	81.3	Confident	84	Confident	69 Å²	69	54.6 Å²	54.6	42%	0.418	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.5	-170.1	-168.8	0	0	0	0	113.4	T648 M674 L678	V645-T648 PolarHBondContact O-OG1 3.23Å; V645-M674 HydrophobicContact CG1-CG 3.39Å; V645-M674 HydrophobicContact CG1-SD 3.57Å; V645-M674 VanDerWaalsContact CG1-SD 3.57Å; V645-L678 HydrophobicContact CG1-CD1 4.17Å; V645-L678 HydrophobicContact CG1-CD2 4.45Å
646	T	80.5	Confident	83.9	Confident	82 Å²	82	55 Å²	55	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-34	177.8	53.1	0	0	0	0	112.2	G644 R649	G644-T646 PolarHBondContact O-N 3.18Å; G644-T646 VanDerWaalsContact O-N 3.12Å; T646-R649 WeakPolarHBondContact O-CB 3.5Å; T646-R649 WeakPolarHBondContact O-CG 3.4Å
647	H	79.4	Confident	83.8	Confident	106 Å²	106	61.9 Å²	61.9	49%	0.491	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.7	179.8	-84.1	-86.9	0	0	0	113.1	Y643 G644 R649 G650	Y643-H647 VanDerWaalsContact CB-CD2 3.46Å; Y643-H647 WeakPolarHBondContact CB-CD2 3.42Å; G644-H647 PolarHBondContact O-N 2.91Å; H647-R649 PolarHBondContact O-N 2.93Å; H647-G650 PolarHBondContact O-N 2.74Å
648	T	83.9	Confident	83.6	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-21.8	175.8	52.3	0	0	0	0	112.3	I636 A639 A640 V645 G650 I651 Y652 M674	I636-T648 HydrophobicContact CG2-CG2 4.37Å; A639-T648 HydrophobicContact CB-CG2 4.44Å; A640-T648 HydrophobicContact CB-CG2 3.91Å; V645-T648 PolarHBondContact O-OG1 3.23Å; T648-G650 PolarHBondContact O-N 2.85Å; T648-I651 WeakPolarHBondContact O-CB 3.1Å; T648-I651 PolarHBondContact O-N 3.3Å; T648-I651 VanDerWaalsContact O-N 3.11Å; T648-Y652 WeakPolarHBondContact O-CD2 3.32Å; T648-Y652 PolarHBondContact O-N 3.05Å; T648-M674 PolarHBondContact OG1-SD 3.07Å
649	R	85.6	Confident	83.3	Confident	44 Å²	44	56 Å²	56	17%	0.166	30%	0.297	C	S	.	.	H	α-helix	trans	-54.8	-49.9	176.8	-65.4	179.4	164.2	159.7	-5.7	112.9	T646 H647 I651 Y652 Q653 F671 M674 E675 E680 R683	T646-R649 WeakPolarHBondContact O-CB 3.5Å; T646-R649 WeakPolarHBondContact O-CG 3.4Å; H647-R649 PolarHBondContact O-N 2.93Å; R649-I651 PolarHBondContact O-N 3.31Å; R649-Y652 PolarHBondContact O-N 3.11Å; R649-Q653 WeakPolarHBondContact O-CG 3.29Å; R649-Q653 PolarHBondContact O-N 3.08Å; R649-F671 HydrophobicContact CB-CE2 4.28Å; R649-F671 HydrophobicContact CG-CE2 4.18Å; R649-M674 HydrophobicContact CG-CE 3.69Å; R649-E675 WeakPolarHBondContact CD-OE1 3.37Å; R649-E675 WeakPolarHBondContact CG-OE1 3.46Å; R649-E675 IonicContact CZ-OE1 3.64Å; R649-E675 IonicContact CZ-OE2 3.71Å; R649-E675 IonicContact NE-OE1 2.82Å; R649-E675 PolarHBondContact NE-OE1 2.97Å; R649-E675 IonicContact NE-OE2 3.98Å; R649-E675 PolarHBondContact NE-OE2 3.11Å; R649-E675 IonicContact NH2-OE1 3.28Å; R649-E675 IonicContact NH2-OE2 3.95Å; R649-E675 PolarHBondContact NH2-OE2 3.21Å; R649-E680 IonicContact CZ-OE1 2.87Å; R649-E680 IonicContact CZ-OE2 3.83Å; R649-E680 IonicContact NH1-OE1 2.85Å; R649-E680 PolarHBondContact NH1-OE1 3.04Å; R649-E680 IonicContact NH2-OE1 3.78Å; R649-E680 PolarHBondContact NH2-OE1 3.35Å; R649-E680 IonicContact NH2-OE2 3.67Å; R649-E680 PolarHBondContact NH2-OE2 3.2Å; R649-R683 VanDerWaalsContact NH1-NH1 3.11Å
650	G	86.1	Confident	83	Confident	33 Å²	33	59 Å²	59	34%	0.34	32%	0.318	S	S	.	.	H	α-helix	trans	-67.1	-28.3	179.3	0	0	0	0	0	112.6	H647 T648 K654	H647-G650 PolarHBondContact O-N 2.74Å; T648-G650 PolarHBondContact O-N 2.85Å; G650-K654 WeakPolarHBondContact O-CG 3.34Å; G650-K654 PolarHBondContact O-N 3.12Å; G650-K654 VanDerWaalsContact O-N 3.14Å
651	I	85.2	Confident	82.4	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-75.1	-42	176.8	-55.2	175.2	0	0	0	110.5	F632 Y635 I636 A639 T648 R649 Q653 K654 A655	F632-I651 HydrophobicContact CD1-CG2 4.32Å; Y635-I651 HydrophobicContact CD1-CB 4.35Å; Y635-I651 HydrophobicContact CD1-CD1 3.97Å; Y635-I651 HydrophobicContact CD1-CG1 4.08Å; Y635-I651 HydrophobicContact CD1-CG2 3.39Å; Y635-I651 HydrophobicContact CD2-CD1 4.08Å; Y635-I651 HydrophobicContact CE1-CB 4.18Å; Y635-I651 HydrophobicContact CE1-CD1 3.7Å; Y635-I651 HydrophobicContact CE1-CG1 3.57Å; Y635-I651 HydrophobicContact CE1-CG2 3.66Å; Y635-I651 HydrophobicContact CE2-CD1 3.82Å; Y635-I651 HydrophobicContact CE2-CG1 4.5Å; Y635-I651 HydrophobicContact CG-CD1 4.15Å; Y635-I651 HydrophobicContact CG-CG2 4.18Å; I636-I651 HydrophobicContact CD1-CG2 4.34Å; I636-I651 HydrophobicContact CG1-CB 4.32Å; I636-I651 HydrophobicContact CG1-CG2 3.53Å; A639-I651 HydrophobicContact CB-CD1 3.12Å; T648-I651 WeakPolarHBondContact O-CB 3.1Å; T648-I651 PolarHBondContact O-N 3.3Å; T648-I651 VanDerWaalsContact O-N 3.11Å; R649-I651 PolarHBondContact O-N 3.31Å; I651-Q653 VanDerWaalsContact C-N 3.34Å; I651-K654 PolarHBondContact O-N 2.99Å; I651-A655 VanDerWaalsContact O-CB 3.23Å; I651-A655 WeakPolarHBondContact O-CB 3.3Å; I651-A655 PolarHBondContact O-N 3.31Å
652	Y	86.4	Confident	82.1	Confident	22 Å²	22	62.6 Å²	62.6	9%	0.086	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-40.7	174.2	-80.8	-66.1	0	0	0	111.9	I636 T648 R649 A655 I656 M667 R670 F671 M674	I636-Y652 HydrophobicContact CD1-CD1 4.06Å; I636-Y652 HydrophobicContact CD1-CE1 3.7Å; I636-Y652 HydrophobicContact CG2-CE2 4.29Å; T648-Y652 WeakPolarHBondContact O-CD2 3.32Å; T648-Y652 PolarHBondContact O-N 3.05Å; R649-Y652 PolarHBondContact O-N 3.11Å; Y652-A655 WeakPolarHBondContact O-CB 3.45Å; Y652-A655 PolarHBondContact O-N 3.25Å; Y652-I656 WeakPolarHBondContact O-CD1 3.37Å; Y652-I656 WeakPolarHBondContact O-CG1 3.38Å; Y652-I656 PolarHBondContact O-N 3.18Å; Y652-M667 HydrophobicContact CE1-SD 4.28Å; Y652-R670 HydrophobicContact CE1-CB 4.04Å; Y652-F671 HydrophobicContact CD1-CB 3.93Å; Y652-F671 HydrophobicContact CD1-CG 4.46Å; Y652-F671 HydrophobicContact CD2-CB 4.39Å; Y652-F671 AromaticContact CD2-CD2 3.64Å; Y652-F671 HydrophobicContact CD2-CD2 3.64Å; Y652-F671 HydrophobicContact CD2-CE2 4.37Å; Y652-F671 HydrophobicContact CD2-CG 4.34Å; Y652-F671 HydrophobicContact CE1-CB 4.47Å; Y652-F671 HydrophobicContact CG-CB 3.9Å; Y652-F671 AromaticContact CG-CD2 3.66Å; Y652-F671 HydrophobicContact CG-CD2 3.66Å; Y652-F671 HydrophobicContact CG-CE2 4.49Å; Y652-F671 AromaticContact CG-CG 3.95Å; Y652-F671 HydrophobicContact CG-CG 3.95Å; Y652-M674 HydrophobicContact CD2-CE 4.14Å; Y652-M674 HydrophobicContact CD2-SD 3.95Å; Y652-M674 HydrophobicContact CE2-CE 4.36Å; Y652-M674 HydrophobicContact CE2-SD 3.58Å; Y652-M674 VanDerWaalsContact CE2-SD 3.58Å
653	Q	86.3	Confident	81.9	Confident	109 Å²	109	62.5 Å²	62.5	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-52.1	174.5	-73.1	173.2	-22.8	0	0	111.8	R649 I651 A655 I656 E657	R649-Q653 WeakPolarHBondContact O-CG 3.29Å; R649-Q653 PolarHBondContact O-N 3.08Å; I651-Q653 VanDerWaalsContact C-N 3.34Å; Q653-A655 PolarHBondContact O-N 2.82Å; Q653-I656 PolarHBondContact O-N 2.91Å; Q653-I656 VanDerWaalsContact O-N 3.12Å; Q653-E657 WeakPolarHBondContact O-CG 3.09Å; Q653-E657 PolarHBondContact O-N 3.34Å; Q653-E657 VanDerWaalsContact O-N 3.12Å
654	K	84.9	Confident	82.1	Confident	72 Å²	72	59.1 Å²	59.1	31%	0.313	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-37.9	174.7	-75.1	176.7	170	-173	0	112.5	D617 F632 G650 I651 E657 V658	D617-K654 IonicContact OD1-NZ 3.18Å; D617-K654 PolarHBondContact OD1-NZ 3.02Å; D617-K654 IonicContact OD2-NZ 2.81Å; D617-K654 PolarHBondContact OD2-NZ 3.03Å; F632-K654 HydrophobicContact CE1-CB 4.48Å; G650-K654 WeakPolarHBondContact O-CG 3.34Å; G650-K654 PolarHBondContact O-N 3.12Å; G650-K654 VanDerWaalsContact O-N 3.14Å; I651-K654 PolarHBondContact O-N 2.99Å; K654-E657 PolarHBondContact O-N 3.17Å; K654-V658 WeakPolarHBondContact O-CB 2.93Å; K654-V658 VanDerWaalsContact O-CG2 3.31Å; K654-V658 WeakPolarHBondContact O-CG2 3.38Å; K654-V658 PolarHBondContact O-N 3.31Å; K654-V658 VanDerWaalsContact O-N 3.15Å
655	A	84.6	Confident	82	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-45.6	177.4	0	0	0	0	0	110.8	F632 I651 Y652 Q653 E657 V658 L659 M667	F632-A655 HydrophobicContact CD1-CB 3.92Å; F632-A655 HydrophobicContact CE1-CB 4.14Å; F632-A655 HydrophobicContact CG-CB 4.28Å; I651-A655 VanDerWaalsContact O-CB 3.23Å; I651-A655 WeakPolarHBondContact O-CB 3.3Å; I651-A655 PolarHBondContact O-N 3.31Å; Y652-A655 WeakPolarHBondContact O-CB 3.45Å; Y652-A655 PolarHBondContact O-N 3.25Å; Q653-A655 PolarHBondContact O-N 2.82Å; A655-E657 PolarHBondContact O-N 3.28Å; A655-V658 PolarHBondContact O-N 3.37Å; A655-L659 VanDerWaalsContact C-CD1 3.42Å; A655-L659 HydrophobicContact CB-CD1 3.55Å; A655-L659 VanDerWaalsContact O-CB 3.32Å; A655-L659 WeakPolarHBondContact O-CB 3.25Å; A655-L659 WeakPolarHBondContact O-CD1 3.22Å; A655-L659 PolarHBondContact O-N 2.92Å; A655-M667 HydrophobicContact CB-CE 3.7Å; A655-M667 HydrophobicContact CB-CG 4.42Å
656	I	82.4	Confident	82.1	Confident	30 Å²	30	62.2 Å²	62.2	15%	0.154	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-32.6	179.9	-66.9	163.3	0	0	0	111.8	Y652 Q653 C668 F671 F690	Y652-I656 WeakPolarHBondContact O-CD1 3.37Å; Y652-I656 WeakPolarHBondContact O-CG1 3.38Å; Y652-I656 PolarHBondContact O-N 3.18Å; Q653-I656 PolarHBondContact O-N 2.91Å; Q653-I656 VanDerWaalsContact O-N 3.12Å; I656-C668 HydrophobicContact CD1-CB 4.46Å; I656-C668 WeakPolarHBondContact CD1-SG 3.42Å; I656-C668 VanDerWaalsContact CG1-SG 3.53Å; I656-F671 HydrophobicContact CD1-CD1 3.98Å; I656-F690 HydrophobicContact CG2-CD1 4.3Å; I656-F690 HydrophobicContact CG2-CE1 3.37Å; I656-F690 HydrophobicContact CG2-CZ 3.85Å
657	E	84.3	Confident	82.3	Confident	160 Å²	160	58.3 Å²	58.3	75%	0.748	29%	0.292	S	S	*	.	H	α-helix	trans	-74	-35.2	177.3	-69.9	171.1	-176.6	0	0	113.7	Q653 K654 A655	Q653-E657 WeakPolarHBondContact O-CG 3.09Å; Q653-E657 PolarHBondContact O-N 3.34Å; Q653-E657 VanDerWaalsContact O-N 3.12Å; K654-E657 PolarHBondContact O-N 3.17Å; A655-E657 PolarHBondContact O-N 3.28Å
658	V	81.8	Confident	82.5	Confident	77 Å²	77	53.3 Å²	53.3	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-96.3	-32.1	-170.9	175.8	0	0	0	0	112.8	F632 K654 A655	F632-V658 HydrophobicContact CE2-CB 4.27Å; F632-V658 HydrophobicContact CE2-CG1 4.07Å; F632-V658 HydrophobicContact CZ-CB 4.16Å; F632-V658 HydrophobicContact CZ-CG1 4.29Å; F632-V658 HydrophobicContact CZ-CG2 4.49Å; K654-V658 WeakPolarHBondContact O-CB 2.93Å; K654-V658 VanDerWaalsContact O-CG2 3.31Å; K654-V658 WeakPolarHBondContact O-CG2 3.38Å; K654-V658 PolarHBondContact O-N 3.31Å; K654-V658 VanDerWaalsContact O-N 3.15Å; A655-V658 PolarHBondContact O-N 3.37Å
659	L	78.3	Confident	82.5	Confident	17 Å²	17	55.9 Å²	55.9	9%	0.089	28%	0.282	C	S	.	.	S	Bend	trans	-79.6	153.8	-174.5	-77.7	101.1	0	0	0	112.9	Y629 F632 A655 H663	Y629-L659 HydrophobicContact CD2-CD2 3.7Å; Y629-L659 HydrophobicContact CG-CD2 4.41Å; F632-L659 HydrophobicContact CD2-CD1 3.45Å; F632-L659 VanDerWaalsContact CD2-CD1 3.45Å; F632-L659 HydrophobicContact CD2-CG 4.27Å; F632-L659 HydrophobicContact CE2-CD1 3.65Å; F632-L659 HydrophobicContact CE2-CG 4.48Å; F632-L659 HydrophobicContact CG-CD1 3.98Å; F632-L659 HydrophobicContact CZ-CD1 4.32Å; A655-L659 VanDerWaalsContact C-CD1 3.42Å; A655-L659 HydrophobicContact CB-CD1 3.55Å; A655-L659 VanDerWaalsContact O-CB 3.32Å; A655-L659 WeakPolarHBondContact O-CB 3.25Å; A655-L659 WeakPolarHBondContact O-CD1 3.22Å; A655-L659 PolarHBondContact O-N 2.92Å; L659-H663 HydrophobicContact CB-CB 4.08Å; L659-H663 HydrophobicContact CD2-CB 3.36Å; L659-H663 HydrophobicContact CG-CB 4.34Å
660	S	78.3	Confident	82.5	Confident	66 Å²	66	58.6 Å²	58.6	46%	0.462	29%	0.293	S	S	.	.			trans	-62.3	155.2	171.2	61.5	0	0	0	0	112.3	E662 H663 A664	S660-E662 PolarHBondContact O-N 2.98Å; S660-H663 PolarHBondContact O-N 3.22Å; S660-H663 PolarHBondContact OG-CD2 2.92Å; S660-A664 WeakPolarHBondContact O-CB 3.36Å; S660-A664 PolarHBondContact O-N 3.11Å
661	D	73.9	Confident	82.5	Confident	117 Å²	117	57.8 Å²	57.8	63%	0.626	28%	0.279	S	S	*	.	H	α-helix	trans	-50.4	-34.6	-175.2	-62.2	-9.8	0	0	0	114.1	R665 I694	D661-R665 VanDerWaalsContact O-CG 3.26Å; D661-R665 WeakPolarHBondContact O-CG 3.26Å; D661-R665 PolarHBondContact O-N 3.22Å; D661-I694 HydrophobicContact CB-CG2 4.14Å
662	E	77.4	Confident	82.5	Confident	129 Å²	129	57.4 Å²	57.4	60%	0.603	28%	0.278	S	S	*	.	H	α-helix	trans	-67.3	-49.9	178.1	-61.1	-166.4	156.2	0	0	112.3	S660 R665	S660-E662 PolarHBondContact O-N 2.98Å; E662-R665 PolarHBondContact O-N 2.89Å
663	H	80.2	Confident	82.5	Confident	66 Å²	66	60.3 Å²	60.3	31%	0.306	30%	0.295	S	S	.	.	H	α-helix	trans	-75.2	-31.1	-179.8	-61.1	-53.2	0	0	0	111.8	Y629 L659 S660 R665 E666 M667	Y629-H663 HydrophobicContact CD2-CB 3.88Å; Y629-H663 AromaticContact CD2-CG 3.84Å; Y629-H663 AromaticContact CD2-ND1 3.72Å; Y629-H663 HydrophobicContact CE2-CB 4.29Å; Y629-H663 AromaticContact CE2-ND1 3.94Å; L659-H663 HydrophobicContact CB-CB 4.08Å; L659-H663 HydrophobicContact CD2-CB 3.36Å; L659-H663 HydrophobicContact CG-CB 4.34Å; S660-H663 PolarHBondContact O-N 3.22Å; S660-H663 PolarHBondContact OG-CD2 2.92Å; H663-R665 VanDerWaalsContact C-N 3.29Å; H663-R665 PolarHBondContact O-N 2.91Å; H663-E666 PolarHBondContact O-N 3.09Å; H663-M667 VanDerWaalsContact O-CG 3.26Å; H663-M667 WeakPolarHBondContact O-CG 3.46Å; H663-M667 PolarHBondContact O-N 3.47Å
664	A	81.3	Confident	82.5	Confident	3 Å²	3	56 Å²	56	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-40.3	172.8	0	0	0	0	0	111	S660 M667 C668	S660-A664 WeakPolarHBondContact O-CB 3.36Å; S660-A664 PolarHBondContact O-N 3.11Å; A664-M667 PolarHBondContact O-N 2.9Å; A664-C668 WeakPolarHBondContact O-CB 3.36Å; A664-C668 PolarHBondContact O-N 3.23Å; A664-C668 PolarHBondContact O-SG 3.16Å
665	R	79.3	Confident	82.6	Confident	77 Å²	77	52.5 Å²	52.5	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-46.4	175.1	-73.2	178.1	-53.4	179.5	3.9	112.7	D661 E662 H663 M667 C668 L669 I694	D661-R665 VanDerWaalsContact O-CG 3.26Å; D661-R665 WeakPolarHBondContact O-CG 3.26Å; D661-R665 PolarHBondContact O-N 3.22Å; E662-R665 PolarHBondContact O-N 2.89Å; H663-R665 VanDerWaalsContact C-N 3.29Å; H663-R665 PolarHBondContact O-N 2.91Å; R665-M667 VanDerWaalsContact C-N 3.34Å; R665-C668 PolarHBondContact O-N 2.79Å; R665-L669 PolarHBondContact O-N 3.11Å; R665-I694 HydrophobicContact CG-CG2 3.85Å
666	E	83.9	Confident	82.6	Confident	86 Å²	86	54.3 Å²	54.3	40%	0.402	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177.6	-66.8	-172	172.4	0	0	111.7	Y629 H663 L669 R670	Y629-E666 PolarHBondContact OH-OE2 3.32Å; H663-E666 PolarHBondContact O-N 3.09Å; E666-L669 PolarHBondContact O-N 3.42Å; E666-R670 WeakPolarHBondContact O-CG 3.46Å; E666-R670 PolarHBondContact O-N 2.87Å
667	M	84	Confident	82.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-40.3	177.6	-68	-60.4	-119	0	0	111.5	F632 I636 Y652 A655 H663 A664 R665 R670 F671	F632-M667 HydrophobicContact CB-CE 3.73Å; I636-M667 HydrophobicContact CD1-CE 3.33Å; I636-M667 HydrophobicContact CD1-SD 4.09Å; Y652-M667 HydrophobicContact CE1-SD 4.28Å; A655-M667 HydrophobicContact CB-CE 3.7Å; A655-M667 HydrophobicContact CB-CG 4.42Å; H663-M667 VanDerWaalsContact O-CG 3.26Å; H663-M667 WeakPolarHBondContact O-CG 3.46Å; H663-M667 PolarHBondContact O-N 3.47Å; A664-M667 PolarHBondContact O-N 2.9Å; R665-M667 VanDerWaalsContact C-N 3.34Å; M667-R670 PolarHBondContact O-N 2.87Å; M667-F671 VanDerWaalsContact O-CB 3.23Å; M667-F671 WeakPolarHBondContact O-CB 3.45Å; M667-F671 PolarHBondContact O-N 2.88Å
668	C	84	Confident	82.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-38.7	176.9	-64.6	0	0	0	0	112.6	I656 A664 R665 F671 A672 I687 C691	I656-C668 HydrophobicContact CD1-CB 4.46Å; I656-C668 WeakPolarHBondContact CD1-SG 3.42Å; I656-C668 VanDerWaalsContact CG1-SG 3.53Å; A664-C668 WeakPolarHBondContact O-CB 3.36Å; A664-C668 PolarHBondContact O-N 3.23Å; A664-C668 PolarHBondContact O-SG 3.16Å; R665-C668 PolarHBondContact O-N 2.79Å; C668-F671 PolarHBondContact O-N 3.46Å; C668-A672 WeakPolarHBondContact O-CB 3.36Å; C668-A672 PolarHBondContact O-N 2.86Å; C668-I687 HydrophobicContact CB-CG2 4.15Å; C668-I687 WeakPolarHBondContact O-CG2 3.39Å; C668-C691 WeakPolarHBondContact CB-SG 3.36Å
669	L	85.6	Confident	82.7	Confident	58 Å²	58	56 Å²	56	30%	0.304	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-46.5	174.4	-79.8	174.9	0	0	0	111.3	R665 E666 F671 A672 D673 Y688 F703	R665-L669 PolarHBondContact O-N 3.11Å; E666-L669 PolarHBondContact O-N 3.42Å; L669-F671 VanDerWaalsContact C-N 3.29Å; L669-F671 PolarHBondContact O-N 2.8Å; L669-A672 PolarHBondContact O-N 3.16Å; L669-D673 PolarHBondContact O-N 3.31Å; L669-Y688 HydrophobicContact CD2-CE1 4.49Å; L669-F703 HydrophobicContact CD2-CD2 3.82Å; L669-F703 HydrophobicContact CD2-CE2 4.28Å
670	R	85.4	Confident	83	Confident	102 Å²	102	58.3 Å²	58.3	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-36.8	175.1	-68.6	-179.1	-171	166.2	10.1	112	Y629 N633 Y652 E666 M667 M674	Y629-R670 PolarHBondContact OH-NH2 3.42Å; Y629-R670 VanDerWaalsContact OH-NH2 3.11Å; N633-R670 PolarHBondContact OD1-NH1 2.85Å; Y652-R670 HydrophobicContact CE1-CB 4.04Å; E666-R670 WeakPolarHBondContact O-CG 3.46Å; E666-R670 PolarHBondContact O-N 2.87Å; M667-R670 PolarHBondContact O-N 2.87Å; R670-M674 WeakPolarHBondContact O-CB 3.39Å; R670-M674 PolarHBondContact O-N 2.94Å
671	F	86.2	Confident	83.3	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.066	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-43	176.6	-173.5	-139	0	0	0	111.6	R649 Y652 I656 M667 C668 L669 M674 E675 I687	R649-F671 HydrophobicContact CB-CE2 4.28Å; R649-F671 HydrophobicContact CG-CE2 4.18Å; Y652-F671 HydrophobicContact CD1-CB 3.93Å; Y652-F671 HydrophobicContact CD1-CG 4.46Å; Y652-F671 HydrophobicContact CD2-CB 4.39Å; Y652-F671 AromaticContact CD2-CD2 3.64Å; Y652-F671 HydrophobicContact CD2-CD2 3.64Å; Y652-F671 HydrophobicContact CD2-CE2 4.37Å; Y652-F671 HydrophobicContact CD2-CG 4.34Å; Y652-F671 HydrophobicContact CE1-CB 4.47Å; Y652-F671 HydrophobicContact CG-CB 3.9Å; Y652-F671 AromaticContact CG-CD2 3.66Å; Y652-F671 HydrophobicContact CG-CD2 3.66Å; Y652-F671 HydrophobicContact CG-CE2 4.49Å; Y652-F671 AromaticContact CG-CG 3.95Å; Y652-F671 HydrophobicContact CG-CG 3.95Å; I656-F671 HydrophobicContact CD1-CD1 3.98Å; M667-F671 VanDerWaalsContact O-CB 3.23Å; M667-F671 WeakPolarHBondContact O-CB 3.45Å; M667-F671 PolarHBondContact O-N 2.88Å; C668-F671 PolarHBondContact O-N 3.46Å; L669-F671 VanDerWaalsContact C-N 3.29Å; L669-F671 PolarHBondContact O-N 2.8Å; F671-M674 HydrophobicContact CD2-CE 3.53Å; F671-M674 HydrophobicContact CE2-CE 3.55Å; F671-M674 WeakPolarHBondContact O-CB 3.42Å; F671-M674 PolarHBondContact O-N 3.38Å; F671-E675 HydrophobicContact CD2-CG 4.4Å; F671-E675 HydrophobicContact CE2-CG 4.09Å; F671-E675 WeakPolarHBondContact CE2-OE1 3.45Å; F671-E675 HydrophobicContact CZ-CG 4.42Å; F671-E675 WeakPolarHBondContact O-CG 3.43Å; F671-E675 PolarHBondContact O-N 3.17Å; F671-I687 HydrophobicContact CB-CD1 4.46Å; F671-I687 HydrophobicContact CD1-CB 4.48Å; F671-I687 HydrophobicContact CD1-CD1 3.22Å; F671-I687 HydrophobicContact CD1-CG1 3.53Å; F671-I687 HydrophobicContact CD1-CG2 4.09Å; F671-I687 HydrophobicContact CD2-CD1 4.3Å; F671-I687 HydrophobicContact CE1-CD1 3.31Å; F671-I687 HydrophobicContact CE1-CG1 3.56Å; F671-I687 HydrophobicContact CE2-CD1 4.34Å; F671-I687 HydrophobicContact CG-CD1 3.74Å; F671-I687 HydrophobicContact CG-CG1 4.47Å; F671-I687 HydrophobicContact CZ-CD1 3.88Å
672	A	84.6	Confident	83.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-44.3	175.3	0	0	0	0	0	111.9	C668 L669 M674 E675 C676 I687 Y688	C668-A672 WeakPolarHBondContact O-CB 3.36Å; C668-A672 PolarHBondContact O-N 2.86Å; L669-A672 PolarHBondContact O-N 3.16Å; A672-M674 VanDerWaalsContact C-N 3.29Å; A672-M674 PolarHBondContact O-N 2.88Å; A672-E675 PolarHBondContact O-N 2.87Å; A672-C676 WeakPolarHBondContact O-CB 3.38Å; A672-C676 PolarHBondContact O-N 2.92Å; A672-C676 PolarHBondContact O-SG 3.49Å; A672-I687 HydrophobicContact CB-CB 4.29Å; A672-I687 HydrophobicContact CB-CG2 3.86Å; A672-Y688 HydrophobicContact CB-CD2 4.47Å; A672-Y688 HydrophobicContact CB-CE1 4.26Å; A672-Y688 HydrophobicContact CB-CE2 3.99Å
673	D	87	Confident	84.1	Confident	83 Å²	83	57.6 Å²	57.6	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-37.3	176.1	-80.1	-15.4	0	0	0	112.2	L669 K677	L669-D673 PolarHBondContact O-N 3.31Å; D673-K677 VanDerWaalsContact O-CG 3.28Å; D673-K677 WeakPolarHBondContact O-CG 3.3Å; D673-K677 PolarHBondContact O-N 3.45Å; D673-K677 VanDerWaalsContact O-N 3.09Å
674	M	85.7	Confident	84.4	Confident	17 Å²	17	54.5 Å²	54.5	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-48.4	175.4	-176.4	-165.6	78.5	0	0	111.3	V645 T648 R649 Y652 R670 F671 A672 C676 K677 L678	V645-M674 HydrophobicContact CG1-CG 3.39Å; V645-M674 HydrophobicContact CG1-SD 3.57Å; V645-M674 VanDerWaalsContact CG1-SD 3.57Å; T648-M674 PolarHBondContact OG1-SD 3.07Å; R649-M674 HydrophobicContact CG-CE 3.69Å; Y652-M674 HydrophobicContact CD2-CE 4.14Å; Y652-M674 HydrophobicContact CD2-SD 3.95Å; Y652-M674 HydrophobicContact CE2-CE 4.36Å; Y652-M674 HydrophobicContact CE2-SD 3.58Å; Y652-M674 VanDerWaalsContact CE2-SD 3.58Å; R670-M674 WeakPolarHBondContact O-CB 3.39Å; R670-M674 PolarHBondContact O-N 2.94Å; F671-M674 HydrophobicContact CD2-CE 3.53Å; F671-M674 HydrophobicContact CE2-CE 3.55Å; F671-M674 WeakPolarHBondContact O-CB 3.42Å; F671-M674 PolarHBondContact O-N 3.38Å; A672-M674 VanDerWaalsContact C-N 3.29Å; A672-M674 PolarHBondContact O-N 2.88Å; M674-C676 VanDerWaalsContact C-N 3.32Å; M674-C676 PolarHBondContact O-N 2.92Å; M674-K677 PolarHBondContact O-N 2.93Å; M674-L678 HydrophobicContact CG-CD1 4.4Å; M674-L678 WeakPolarHBondContact O-CG 3.49Å; M674-L678 PolarHBondContact O-N 3.21Å; M674-L678 VanDerWaalsContact O-N 3.1Å
675	E	86.1	Confident	84.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-35.2	177.8	-67.8	-58.4	160.1	0	0	112.2	R649 F671 A672 K677 L678 G679 E680 R683 A684 I687	R649-E675 WeakPolarHBondContact CD-OE1 3.37Å; R649-E675 WeakPolarHBondContact CG-OE1 3.46Å; R649-E675 IonicContact CZ-OE1 3.64Å; R649-E675 IonicContact CZ-OE2 3.71Å; R649-E675 IonicContact NE-OE1 2.82Å; R649-E675 PolarHBondContact NE-OE1 2.97Å; R649-E675 IonicContact NE-OE2 3.98Å; R649-E675 PolarHBondContact NE-OE2 3.11Å; R649-E675 IonicContact NH2-OE1 3.28Å; R649-E675 IonicContact NH2-OE2 3.95Å; R649-E675 PolarHBondContact NH2-OE2 3.21Å; F671-E675 HydrophobicContact CD2-CG 4.4Å; F671-E675 HydrophobicContact CE2-CG 4.09Å; F671-E675 WeakPolarHBondContact CE2-OE1 3.45Å; F671-E675 HydrophobicContact CZ-CG 4.42Å; F671-E675 WeakPolarHBondContact O-CG 3.43Å; F671-E675 PolarHBondContact O-N 3.17Å; A672-E675 PolarHBondContact O-N 2.87Å; E675-K677 VanDerWaalsContact C-N 3.34Å; E675-K677 PolarHBondContact O-N 2.95Å; E675-L678 PolarHBondContact O-N 2.9Å; E675-G679 PolarHBondContact O-N 2.95Å; E675-E680 PolarHBondContact O-N 3.37Å; E675-E680 VanDerWaalsContact O-N 3.17Å; E675-R683 HydrophobicContact CB-CB 4.43Å; E675-R683 HydrophobicContact CG-CB 4.2Å; E675-A684 HydrophobicContact CB-CB 4.17Å; E675-I687 HydrophobicContact CB-CD1 4.25Å; E675-I687 HydrophobicContact CG-CD1 3.64Å
676	C	84.9	Confident	85.1	Confident	37 Å²	37	56.1 Å²	56.1	25%	0.25	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-42.5	172.3	-70.7	0	0	0	0	111.7	A672 M674 L678 G679 A684 F710	A672-C676 WeakPolarHBondContact O-CB 3.38Å; A672-C676 PolarHBondContact O-N 2.92Å; A672-C676 PolarHBondContact O-SG 3.49Å; M674-C676 VanDerWaalsContact C-N 3.32Å; M674-C676 PolarHBondContact O-N 2.92Å; C676-L678 VanDerWaalsContact C-N 3.28Å; C676-L678 PolarHBondContact O-N 2.9Å; C676-G679 PolarHBondContact O-N 3.35Å; C676-A684 WeakPolarHBondContact SG-CB 3.36Å; C676-F710 WeakPolarHBondContact SG-CE2 3.26Å
677	K	84	Confident	85.2	Confident	181 Å²	181	52.7 Å²	52.7	79%	0.787	27%	0.271	S	S	*	.	H	α-helix	trans	-67.6	-27.8	177.4	-73.3	169.5	-175.6	171.8	0	112.8	D673 M674 E675 G679	D673-K677 VanDerWaalsContact O-CG 3.28Å; D673-K677 WeakPolarHBondContact O-CG 3.3Å; D673-K677 PolarHBondContact O-N 3.45Å; D673-K677 VanDerWaalsContact O-N 3.09Å; M674-K677 PolarHBondContact O-N 2.93Å; E675-K677 VanDerWaalsContact C-N 3.34Å; E675-K677 PolarHBondContact O-N 2.95Å; K677-G679 VanDerWaalsContact C-N 3.29Å
678	L	84.5	Confident	85.4	Confident	72 Å²	72	53 Å²	53	38%	0.377	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6.5	175.7	-66	173.6	0	0	0	113.1	V645 M674 E675 C676 E680	V645-L678 HydrophobicContact CG1-CD1 4.17Å; V645-L678 HydrophobicContact CG1-CD2 4.45Å; M674-L678 HydrophobicContact CG-CD1 4.4Å; M674-L678 WeakPolarHBondContact O-CG 3.49Å; M674-L678 PolarHBondContact O-N 3.21Å; M674-L678 VanDerWaalsContact O-N 3.1Å; E675-L678 PolarHBondContact O-N 2.9Å; C676-L678 VanDerWaalsContact C-N 3.28Å; C676-L678 PolarHBondContact O-N 2.9Å; L678-E680 VanDerWaalsContact C-N 3.31Å
679	G	81.4	Confident	85.4	Confident	51 Å²	51	55.2 Å²	55.2	53%	0.526	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	4	179.8	0	0	0	0	0	114.5	E675 C676 K677 I681	E675-G679 PolarHBondContact O-N 2.95Å; C676-G679 PolarHBondContact O-N 3.35Å; K677-G679 VanDerWaalsContact C-N 3.29Å; G679-I681 VanDerWaalsContact C-N 3.32Å; G679-I681 PolarHBondContact O-N 2.76Å; G679-I681 VanDerWaalsContact O-N 3.08Å
680	E	85.4	Confident	85.3	Confident	65 Å²	65	56.6 Å²	56.6	30%	0.304	29%	0.291	S	S	.	.			trans	-87.3	72.7	178.7	-67.5	-172.6	-154.3	0	0	110.8	R649 E675 L678 D682 R683 A684	R649-E680 IonicContact CZ-OE1 2.87Å; R649-E680 IonicContact CZ-OE2 3.83Å; R649-E680 IonicContact NH1-OE1 2.85Å; R649-E680 PolarHBondContact NH1-OE1 3.04Å; R649-E680 IonicContact NH2-OE1 3.78Å; R649-E680 PolarHBondContact NH2-OE1 3.35Å; R649-E680 IonicContact NH2-OE2 3.67Å; R649-E680 PolarHBondContact NH2-OE2 3.2Å; E675-E680 PolarHBondContact O-N 3.37Å; E675-E680 VanDerWaalsContact O-N 3.17Å; L678-E680 VanDerWaalsContact C-N 3.31Å; E680-D682 VanDerWaalsContact C-N 3.26Å; E680-D682 PolarHBondContact O-N 2.68Å; E680-R683 HydrophobicContact CB-CB 4.26Å; E680-R683 HydrophobicContact CB-CG 4.35Å; E680-R683 PolarHBondContact O-N 3.23Å; E680-R683 IonicContact OE1-NH1 3.73Å; E680-R683 WeakPolarHBondContact OE2-CD 3.35Å; E680-R683 IonicContact OE2-CZ 3.03Å; E680-R683 IonicContact OE2-NE 3.04Å; E680-R683 PolarHBondContact OE2-NE 2.73Å; E680-R683 IonicContact OE2-NH1 3.25Å; E680-R683 PolarHBondContact OE2-NH1 2.97Å; E680-R683 IonicContact OE2-NH2 3.99Å; E680-A684 PolarHBondContact O-N 3.41Å; E680-A684 VanDerWaalsContact O-N 3.08Å
681	I	84.8	Confident	85.2	Confident	51 Å²	51	51.9 Å²	51.9	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-36.9	-175.6	-61.8	167	0	0	0	111.4	G679 R683 A684 R685 F710 H714	G679-I681 VanDerWaalsContact C-N 3.32Å; G679-I681 PolarHBondContact O-N 2.76Å; G679-I681 VanDerWaalsContact O-N 3.08Å; I681-R683 PolarHBondContact O-N 3.25Å; I681-A684 PolarHBondContact O-N 3.22Å; I681-R685 WeakPolarHBondContact O-CB 3.46Å; I681-R685 PolarHBondContact O-N 2.76Å; I681-F710 HydrophobicContact CG2-CE1 4.46Å; I681-F710 HydrophobicContact CG2-CE2 4.14Å; I681-F710 HydrophobicContact CG2-CZ 3.6Å; I681-F710 WeakPolarHBondContact O-CZ 3.26Å; I681-H714 HydrophobicContact CD1-CB 4.09Å; I681-H714 WeakPolarHBondContact CD1-ND1 3.34Å; I681-H714 HydrophobicContact CG1-CB 4.47Å; I681-H714 HydrophobicContact CG2-CB 3.67Å
682	D	85	Confident	84.9	Confident	123 Å²	123	51.3 Å²	51.3	66%	0.658	27%	0.271	S	S	*	.	H	α-helix	trans	-68.1	-34.9	-179.4	-62.8	-42.1	0	0	0	112.6	E680 R685 A686	E680-D682 VanDerWaalsContact C-N 3.26Å; E680-D682 PolarHBondContact O-N 2.68Å; D682-R685 PolarHBondContact O-N 2.91Å; D682-R685 IonicContact OD1-NH1 3.8Å; D682-R685 PolarHBondContact OD1-NH1 3.38Å; D682-A686 PolarHBondContact O-N 3.41Å
683	R	83.5	Confident	84.7	Confident	123 Å²	123	57.5 Å²	57.5	46%	0.464	30%	0.3	S	S	.	.	H	α-helix	trans	-70.3	-43.3	173.3	-67.7	-157.4	-177	149.1	-5.3	111.2	R649 E675 E680 I681 R685 A686 I687	R649-R683 VanDerWaalsContact NH1-NH1 3.11Å; E675-R683 HydrophobicContact CB-CB 4.43Å; E675-R683 HydrophobicContact CG-CB 4.2Å; E680-R683 HydrophobicContact CB-CB 4.26Å; E680-R683 HydrophobicContact CB-CG 4.35Å; E680-R683 PolarHBondContact O-N 3.23Å; E680-R683 IonicContact OE1-NH1 3.73Å; E680-R683 WeakPolarHBondContact OE2-CD 3.35Å; E680-R683 IonicContact OE2-CZ 3.03Å; E680-R683 IonicContact OE2-NE 3.04Å; E680-R683 PolarHBondContact OE2-NE 2.73Å; E680-R683 IonicContact OE2-NH1 3.25Å; E680-R683 PolarHBondContact OE2-NH1 2.97Å; E680-R683 IonicContact OE2-NH2 3.99Å; I681-R683 PolarHBondContact O-N 3.25Å; R683-R685 VanDerWaalsContact C-N 3.26Å; R683-R685 PolarHBondContact O-N 2.87Å; R683-A686 WeakPolarHBondContact O-CB 3.22Å; R683-A686 PolarHBondContact O-N 3.27Å; R683-A686 VanDerWaalsContact O-N 3.16Å; R683-I687 WeakPolarHBondContact O-CD1 3.18Å; R683-I687 VanDerWaalsContact O-CG1 3.25Å; R683-I687 WeakPolarHBondContact O-CG1 3.35Å; R683-I687 PolarHBondContact O-N 3.13Å
684	A	86.1	Confident	84.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.5	-43.2	172.8	0	0	0	0	0	111.4	E675 C676 E680 I681 I687 Y688 F710	E675-A684 HydrophobicContact CB-CB 4.17Å; C676-A684 WeakPolarHBondContact SG-CB 3.36Å; E680-A684 PolarHBondContact O-N 3.41Å; E680-A684 VanDerWaalsContact O-N 3.08Å; I681-A684 PolarHBondContact O-N 3.22Å; A684-I687 PolarHBondContact O-N 3.4Å; A684-Y688 WeakPolarHBondContact O-CD2 3.36Å; A684-Y688 PolarHBondContact O-N 3Å; A684-F710 HydrophobicContact CB-CE2 3.72Å; A684-F710 HydrophobicContact CB-CZ 3.77Å
685	R	87.4	Confident	83.4	Confident	53 Å²	53	54.9 Å²	54.9	20%	0.2	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-40.7	176.1	-168.6	177.1	-63.2	108.1	-2.3	112.6	I681 D682 R683 I687 Y688 S689 F710 E711	I681-R685 WeakPolarHBondContact O-CB 3.46Å; I681-R685 PolarHBondContact O-N 2.76Å; D682-R685 PolarHBondContact O-N 2.91Å; D682-R685 IonicContact OD1-NH1 3.8Å; D682-R685 PolarHBondContact OD1-NH1 3.38Å; R683-R685 VanDerWaalsContact C-N 3.26Å; R683-R685 PolarHBondContact O-N 2.87Å; R685-I687 VanDerWaalsContact C-N 3.34Å; R685-Y688 PolarHBondContact O-N 3.47Å; R685-S689 WeakPolarHBondContact O-CB 3.35Å; R685-S689 PolarHBondContact O-N 3.11Å; R685-F710 HydrophobicContact CB-CE1 3.98Å; R685-F710 HydrophobicContact CB-CZ 4.29Å; R685-F710 HydrophobicContact CG-CE1 4.4Å; R685-E711 WeakPolarHBondContact CD-OE1 3.48Å; R685-E711 WeakPolarHBondContact CG-OE1 3.48Å; R685-E711 IonicContact NE-OE1 3.84Å; R685-E711 PolarHBondContact NE-OE1 3.47Å; R685-E711 IonicContact NE-OE2 3.64Å; R685-E711 IonicContact NH2-OE2 3.58Å
686	A	87.5	Confident	82.8	Confident	61 Å²	61	55.3 Å²	55.3	50%	0.504	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-40.7	174.1	0	0	0	0	0	111.9	D682 R683 S689 F690	D682-A686 PolarHBondContact O-N 3.41Å; R683-A686 WeakPolarHBondContact O-CB 3.22Å; R683-A686 PolarHBondContact O-N 3.27Å; R683-A686 VanDerWaalsContact O-N 3.16Å; A686-S689 WeakPolarHBondContact O-CB 3.13Å; A686-S689 PolarHBondContact O-N 3.37Å; A686-F690 PolarHBondContact O-N 3.29Å
687	I	86.8	Confident	82.2	Confident	15 Å²	15	54.2 Å²	54.2	8%	0.077	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-44.4	175.6	-62.1	158	0	0	0	110.6	C668 F671 A672 E675 R683 A684 R685 S689 F690 C691	C668-I687 HydrophobicContact CB-CG2 4.15Å; C668-I687 WeakPolarHBondContact O-CG2 3.39Å; F671-I687 HydrophobicContact CB-CD1 4.46Å; F671-I687 HydrophobicContact CD1-CB 4.48Å; F671-I687 HydrophobicContact CD1-CD1 3.22Å; F671-I687 HydrophobicContact CD1-CG1 3.53Å; F671-I687 HydrophobicContact CD1-CG2 4.09Å; F671-I687 HydrophobicContact CD2-CD1 4.3Å; F671-I687 HydrophobicContact CE1-CD1 3.31Å; F671-I687 HydrophobicContact CE1-CG1 3.56Å; F671-I687 HydrophobicContact CE2-CD1 4.34Å; F671-I687 HydrophobicContact CG-CD1 3.74Å; F671-I687 HydrophobicContact CG-CG1 4.47Å; F671-I687 HydrophobicContact CZ-CD1 3.88Å; A672-I687 HydrophobicContact CB-CB 4.29Å; A672-I687 HydrophobicContact CB-CG2 3.86Å; E675-I687 HydrophobicContact CB-CD1 4.25Å; E675-I687 HydrophobicContact CG-CD1 3.64Å; R683-I687 WeakPolarHBondContact O-CD1 3.18Å; R683-I687 VanDerWaalsContact O-CG1 3.25Å; R683-I687 WeakPolarHBondContact O-CG1 3.35Å; R683-I687 PolarHBondContact O-N 3.13Å; A684-I687 PolarHBondContact O-N 3.4Å; R685-I687 VanDerWaalsContact C-N 3.34Å; I687-S689 VanDerWaalsContact C-N 3.31Å; I687-S689 PolarHBondContact O-N 3.17Å; I687-F690 PolarHBondContact O-N 3.17Å; I687-C691 WeakPolarHBondContact O-CB 3.41Å; I687-C691 PolarHBondContact O-N 3.44Å; I687-C691 PolarHBondContact O-SG 2.96Å
688	Y	86.9	Confident	81.4	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-39.1	174.3	-77.7	-62.8	0	0	0	112.2	L669 A672 A684 R685 C691 S692 F703 W707 F710	L669-Y688 HydrophobicContact CD2-CE1 4.49Å; A672-Y688 HydrophobicContact CB-CD2 4.47Å; A672-Y688 HydrophobicContact CB-CE1 4.26Å; A672-Y688 HydrophobicContact CB-CE2 3.99Å; A684-Y688 WeakPolarHBondContact O-CD2 3.36Å; A684-Y688 PolarHBondContact O-N 3Å; R685-Y688 PolarHBondContact O-N 3.47Å; Y688-C691 PolarHBondContact O-N 3.31Å; Y688-S692 WeakPolarHBondContact O-CB 3.25Å; Y688-S692 PolarHBondContact O-N 2.75Å; Y688-F703 AromaticContact CD1-CE2 3.69Å; Y688-F703 HydrophobicContact CD1-CE2 3.69Å; Y688-F703 AromaticContact CD1-CZ 3.92Å; Y688-F703 HydrophobicContact CD1-CZ 3.92Å; Y688-F703 HydrophobicContact CE1-CE2 4.19Å; Y688-W707 HydrophobicContact CD1-CB 3.89Å; Y688-W707 AromaticContact CD1-CG 3.98Å; Y688-W707 HydrophobicContact CD1-CG 3.98Å; Y688-W707 AromaticContact CD2-CD1 4Å; Y688-W707 HydrophobicContact CE1-CB 4.3Å; Y688-W707 HydrophobicContact CG-CB 4.34Å; Y688-W707 AromaticContact CG-CD1 3.64Å; Y688-W707 AromaticContact CG-CG 3.95Å; Y688-W707 HydrophobicContact CG-CG 3.95Å; Y688-F710 AromaticContact CD2-CD1 3.78Å; Y688-F710 HydrophobicContact CD2-CD1 3.78Å; Y688-F710 HydrophobicContact CD2-CD2 4.36Å; Y688-F710 HydrophobicContact CD2-CE1 4.02Å; Y688-F710 AromaticContact CD2-CG 3.96Å; Y688-F710 HydrophobicContact CD2-CG 3.96Å; Y688-F710 HydrophobicContact CD2-CZ 4.4Å; Y688-F710 HydrophobicContact CE2-CB 3.91Å; Y688-F710 AromaticContact CE2-CD1 3.88Å; Y688-F710 HydrophobicContact CE2-CD1 3.88Å; Y688-F710 AromaticContact CE2-CD2 3.7Å; Y688-F710 HydrophobicContact CE2-CD2 3.7Å; Y688-F710 HydrophobicContact CE2-CE1 4.32Å; Y688-F710 HydrophobicContact CE2-CE2 4.17Å; Y688-F710 AromaticContact CE2-CG 3.54Å; Y688-F710 HydrophobicContact CE2-CG 3.54Å; Y688-F710 HydrophobicContact CE2-CZ 4.44Å
689	S	84.2	Confident	80.8	Confident	45 Å²	45	50.8 Å²	50.8	32%	0.315	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-42.7	174.3	-177.5	0	0	0	0	111.9	R685 A686 I687 S692	R685-S689 WeakPolarHBondContact O-CB 3.35Å; R685-S689 PolarHBondContact O-N 3.11Å; A686-S689 WeakPolarHBondContact O-CB 3.13Å; A686-S689 PolarHBondContact O-N 3.37Å; I687-S689 VanDerWaalsContact C-N 3.31Å; I687-S689 PolarHBondContact O-N 3.17Å; S689-S692 WeakPolarHBondContact O-CB 3.29Å; S689-S692 PolarHBondContact O-N 3.02Å; S689-S692 PolarHBondContact O-OG 2.99Å
690	F	84.8	Confident	80.4	Confident	88 Å²	88	49.3 Å²	49.3	39%	0.386	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-47.6	174.4	-179.5	-97.8	0	0	0	111.9	I656 A686 I687 S692 Q693 I694	I656-F690 HydrophobicContact CG2-CD1 4.3Å; I656-F690 HydrophobicContact CG2-CE1 3.37Å; I656-F690 HydrophobicContact CG2-CZ 3.85Å; A686-F690 PolarHBondContact O-N 3.29Å; I687-F690 PolarHBondContact O-N 3.17Å; F690-S692 PolarHBondContact O-N 3.24Å; F690-S692 VanDerWaalsContact O-N 3.16Å; F690-Q693 WeakPolarHBondContact O-CB 3.37Å; F690-Q693 PolarHBondContact O-N 3.35Å; F690-Q693 VanDerWaalsContact O-N 3.08Å; F690-I694 HydrophobicContact CD1-CD1 4.26Å; F690-I694 HydrophobicContact CE1-CD1 3.64Å; F690-I694 HydrophobicContact CZ-CD1 4.13Å
691	C	81.9	Confident	80	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-56.2	-34.2	175.3	-68.3	0	0	0	0	112.7	C668 I687 Y688 Q693 I694 C695 F703	C668-C691 WeakPolarHBondContact CB-SG 3.36Å; I687-C691 WeakPolarHBondContact O-CB 3.41Å; I687-C691 PolarHBondContact O-N 3.44Å; I687-C691 PolarHBondContact O-SG 2.96Å; Y688-C691 PolarHBondContact O-N 3.31Å; C691-Q693 PolarHBondContact O-N 3.34Å; C691-I694 PolarHBondContact O-N 3.46Å; C691-C695 VanDerWaalsContact O-CB 3.29Å; C691-C695 WeakPolarHBondContact O-CB 3.03Å; C691-C695 PolarHBondContact O-N 3.48Å; C691-C695 PolarHBondContact O-SG 3.41Å; C691-C695 VanDerWaalsContact O-SG 3.32Å; C691-F703 HydrophobicContact CB-CD2 4.23Å; C691-F703 HydrophobicContact CB-CE1 4.2Å; C691-F703 HydrophobicContact CB-CE2 3.21Å; C691-F703 HydrophobicContact CB-CZ 3.21Å
692	S	80	Confident	79.8	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-21.6	-178.5	78.5	0	0	0	0	113.5	Y688 S689 F690 I726	Y688-S692 WeakPolarHBondContact O-CB 3.25Å; Y688-S692 PolarHBondContact O-N 2.75Å; S689-S692 WeakPolarHBondContact O-CB 3.29Å; S689-S692 PolarHBondContact O-N 3.02Å; S689-S692 PolarHBondContact O-OG 2.99Å; F690-S692 PolarHBondContact O-N 3.24Å; F690-S692 VanDerWaalsContact O-N 3.16Å; S692-I726 WeakPolarHBondContact OG-CG2 3.24Å
693	Q	79.9	Confident	79.8	Confident	131 Å²	131	43.4 Å²	43.4	61%	0.612	24%	0.238	S	C	*	.	H	α-helix	trans	-75.9	-25.9	175.2	-59.1	179.5	3.2	0	0	112.4	F690 C691 Y734	F690-Q693 WeakPolarHBondContact O-CB 3.37Å; F690-Q693 PolarHBondContact O-N 3.35Å; F690-Q693 VanDerWaalsContact O-N 3.08Å; C691-Q693 PolarHBondContact O-N 3.34Å; Q693-Y734 PolarHBondContact O-OH 2.91Å
694	I	76.2	Confident	79.8	Confident	41 Å²	41	37.8 Å²	37.8	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-96.6	-20.3	-177.3	-50.9	172	0	0	0	110.5	D661 R665 F690 C691	D661-I694 HydrophobicContact CB-CG2 4.14Å; R665-I694 HydrophobicContact CG-CG2 3.85Å; F690-I694 HydrophobicContact CD1-CD1 4.26Å; F690-I694 HydrophobicContact CE1-CD1 3.64Å; F690-I694 HydrophobicContact CZ-CD1 4.13Å; C691-I694 PolarHBondContact O-N 3.46Å
695	C	70.3	Confident	79.7	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.027	25%	0.245	C	C	.	.			trans	-103.5	104.2	-170.7	-74	0	0	0	0	113.5	C691 P697 T700 F703 W704	C691-C695 VanDerWaalsContact O-CB 3.29Å; C691-C695 WeakPolarHBondContact O-CB 3.03Å; C691-C695 PolarHBondContact O-N 3.48Å; C691-C695 PolarHBondContact O-SG 3.41Å; C691-C695 VanDerWaalsContact O-SG 3.32Å; C695-P697 WeakPolarHBondContact O-CD 3.46Å; C695-T700 WeakPolarHBondContact CB-OG1 3.44Å; C695-F703 HydrophobicContact CB-CD1 3.68Å; C695-F703 HydrophobicContact CB-CE1 4.07Å; C695-F703 HydrophobicContact CB-CG 4.16Å; C695-W704 PolarHBondContact O-NE1 3.14Å
696	D	73.4	Confident	79.6	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.043	25%	0.252	C	S	.	.			trans	-64.1	120.8	170.1	175.7	6.6	0	0	0	111.9	R698 T699 T700 Y734 F740	D696-R698 PolarHBondContact O-N 3.49Å; D696-R698 PolarHBondContact OD1-N 2.98Å; D696-T699 PolarHBondContact O-N 3.25Å; D696-T699 PolarHBondContact O-OG1 3.44Å; D696-T700 PolarHBondContact O-N 3.2Å; D696-T700 PolarHBondContact O-OG1 3.25Å; D696-Y734 HydrophobicContact CB-CD2 3.99Å; D696-Y734 HydrophobicContact CB-CE2 3.95Å; D696-Y734 HydrophobicContact CB-CG 4.32Å; D696-F740 WeakPolarHBondContact OD2-CE1 3.39Å
697	P	72.4	Confident	79.6	Confident	15 Å²	15	41.4 Å²	41.4	10%	0.097	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-23.1	175	-26	32.3	0	0	0	116.6	C695 W704 V730 Q731	C695-P697 WeakPolarHBondContact O-CD 3.46Å; P697-W704 VanDerWaalsContact CA-NE1 3.29Å; P697-W704 HydrophobicContact CG-CH2 4.47Å; P697-W704 HydrophobicContact CG-CZ2 3.64Å; P697-V730 HydrophobicContact CG-CB 4.34Å; P697-V730 HydrophobicContact CG-CG1 3.98Å; P697-Q731 HydrophobicContact CB-CB 4.46Å; P697-Q731 HydrophobicContact CG-CB 4.1Å
698	R	66.7	Low	79.5	Confident	95 Å²	95	46 Å²	46	36%	0.358	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-39.5	-178.7	-62.9	173.2	171	-152.5	-5	112.9	D696 N735	D696-R698 PolarHBondContact O-N 3.49Å; D696-R698 PolarHBondContact OD1-N 2.98Å; R698-N735 PolarHBondContact NE-OD1 2.89Å; R698-N735 VanDerWaalsContact NE-OD1 3.14Å; R698-N735 PolarHBondContact NH2-OD1 3.47Å
699	T	71.2	Confident	79.5	Confident	85 Å²	85	49.3 Å²	49.3	52%	0.521	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-37.4	-178.7	48.4	0	0	0	0	112.7	D696 G701	D696-T699 PolarHBondContact O-N 3.25Å; D696-T699 PolarHBondContact O-OG1 3.44Å; T699-G701 PolarHBondContact O-N 3.21Å
700	T	73.4	Confident	79.6	Confident	20 Å²	20	47.6 Å²	47.6	12%	0.123	25%	0.253	C	S	.	.			trans	-104.8	52.4	-172.4	59.4	0	0	0	0	111.7	C695 D696 A702 F703 W704	C695-T700 WeakPolarHBondContact CB-OG1 3.44Å; D696-T700 PolarHBondContact O-N 3.2Å; D696-T700 PolarHBondContact O-OG1 3.25Å; T700-A702 PolarHBondContact O-N 3.2Å; T700-A702 VanDerWaalsContact O-N 3.16Å; T700-F703 PolarHBondContact O-N 3.46Å; T700-F703 VanDerWaalsContact O-N 3.14Å; T700-W704 VanDerWaalsContact O-CD1 3.24Å; T700-W704 PolarHBondContact O-N 3.44Å
701	G	76.9	Confident	79.7	Confident	36 Å²	36	43.5 Å²	43.5	37%	0.371	24%	0.236	S	C	.	.	H	α-helix	trans	-55.5	-32.9	178.9	0	0	0	0	0	113.6	T699 W704 Q705	T699-G701 PolarHBondContact O-N 3.21Å; G701-W704 PolarHBondContact O-N 3.43Å; G701-Q705 WeakPolarHBondContact O-CG 3.29Å; G701-Q705 PolarHBondContact O-N 2.87Å
702	A	82	Confident	79.9	Confident	70 Å²	70	48 Å²	48	58%	0.579	26%	0.263	S	S	*	.	H	α-helix	trans	-62.4	-44.2	177.3	0	0	0	0	0	112.8	T700 W704 Q705 T706	T700-A702 PolarHBondContact O-N 3.2Å; T700-A702 VanDerWaalsContact O-N 3.16Å; A702-W704 VanDerWaalsContact C-N 3.31Å; A702-W704 PolarHBondContact O-N 3.25Å; A702-Q705 WeakPolarHBondContact O-CB 3.46Å; A702-Q705 PolarHBondContact O-N 3.39Å; A702-Q705 VanDerWaalsContact O-N 3.15Å; A702-T706 PolarHBondContact O-N 3.44Å; A702-T706 PolarHBondContact O-OG1 3.28Å
703	F	83.8	Confident	80.2	Confident	9 Å²	9	56.8 Å²	56.8	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-42.4	177.1	170.2	-95.8	0	0	0	111.8	L669 Y688 C691 C695 T700 Q705 T706 W707	L669-F703 HydrophobicContact CD2-CD2 3.82Å; L669-F703 HydrophobicContact CD2-CE2 4.28Å; Y688-F703 AromaticContact CD1-CE2 3.69Å; Y688-F703 HydrophobicContact CD1-CE2 3.69Å; Y688-F703 AromaticContact CD1-CZ 3.92Å; Y688-F703 HydrophobicContact CD1-CZ 3.92Å; Y688-F703 HydrophobicContact CE1-CE2 4.19Å; C691-F703 HydrophobicContact CB-CD2 4.23Å; C691-F703 HydrophobicContact CB-CE1 4.2Å; C691-F703 HydrophobicContact CB-CE2 3.21Å; C691-F703 HydrophobicContact CB-CZ 3.21Å; C695-F703 HydrophobicContact CB-CD1 3.68Å; C695-F703 HydrophobicContact CB-CE1 4.07Å; C695-F703 HydrophobicContact CB-CG 4.16Å; T700-F703 PolarHBondContact O-N 3.46Å; T700-F703 VanDerWaalsContact O-N 3.14Å; F703-Q705 VanDerWaalsContact C-N 3.31Å; F703-Q705 PolarHBondContact O-N 2.98Å; F703-T706 WeakPolarHBondContact CA-OG1 3.4Å; F703-T706 PolarHBondContact O-N 3.49Å; F703-T706 PolarHBondContact O-OG1 3.47Å; F703-W707 HydrophobicContact CE1-CE3 4.04Å; F703-W707 HydrophobicContact CZ-CE3 4.36Å; F703-W707 WeakPolarHBondContact O-CB 3.2Å; F703-W707 PolarHBondContact O-N 3.07Å
704	W	83.7	Confident	80.2	Confident	5 Å²	5	54.5 Å²	54.5	2%	0.019	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-28.2	178.7	-69.4	96.6	0	0	0	112.6	C695 P697 T700 G701 A702 W707 K708 M723 I726 R727 V730	C695-W704 PolarHBondContact O-NE1 3.14Å; P697-W704 VanDerWaalsContact CA-NE1 3.29Å; P697-W704 HydrophobicContact CG-CH2 4.47Å; P697-W704 HydrophobicContact CG-CZ2 3.64Å; T700-W704 VanDerWaalsContact O-CD1 3.24Å; T700-W704 PolarHBondContact O-N 3.44Å; G701-W704 PolarHBondContact O-N 3.43Å; A702-W704 VanDerWaalsContact C-N 3.31Å; A702-W704 PolarHBondContact O-N 3.25Å; W704-W707 AromaticContact CE3-CE3 3.78Å; W704-W707 HydrophobicContact CE3-CE3 3.78Å; W704-W707 HydrophobicContact CE3-CZ3 4.07Å; W704-W707 HydrophobicContact CH2-CE3 4.24Å; W704-W707 AromaticContact CH2-CZ3 3.75Å; W704-W707 HydrophobicContact CH2-CZ3 3.75Å; W704-W707 AromaticContact CZ3-CE3 3.54Å; W704-W707 HydrophobicContact CZ3-CE3 3.54Å; W704-W707 HydrophobicContact CZ3-CH2 4.49Å; W704-W707 AromaticContact CZ3-CZ3 3.32Å; W704-W707 HydrophobicContact CZ3-CZ3 3.32Å; W704-K708 VanDerWaalsContact O-CB 3.23Å; W704-K708 WeakPolarHBondContact O-CB 3.22Å; W704-K708 PolarHBondContact O-N 3.22Å; W704-M723 HydrophobicContact CE3-SD 4.49Å; W704-I726 HydrophobicContact CH2-CG2 4.37Å; W704-R727 HydrophobicContact CD2-CG 4.2Å; W704-R727 HydrophobicContact CE3-CB 3.82Å; W704-R727 HydrophobicContact CE3-CG 3.7Å; W704-R727 VanDerWaalsContact CH2-CA 3.44Å; W704-R727 HydrophobicContact CH2-CB 3.92Å; W704-R727 HydrophobicContact CH2-CG 4.19Å; W704-R727 VanDerWaalsContact CZ3-CA 3.41Å; W704-R727 HydrophobicContact CZ3-CB 3.35Å; W704-R727 HydrophobicContact CZ3-CG 3.7Å; W704-V730 HydrophobicContact CH2-CB 4.37Å; W704-V730 HydrophobicContact CH2-CG2 4.43Å; W704-V730 HydrophobicContact CZ2-CB 4.32Å; W704-V730 HydrophobicContact CZ2-CG1 4.19Å
705	Q	84.4	Confident	80.4	Confident	128 Å²	128	53.8 Å²	53.8	60%	0.598	29%	0.287	S	S	*	.	H	α-helix	trans	-70.5	-46.3	170.5	-72.8	174.6	-4.8	0	0	111.1	G701 A702 F703 W707 K708 D709	G701-Q705 WeakPolarHBondContact O-CG 3.29Å; G701-Q705 PolarHBondContact O-N 2.87Å; A702-Q705 WeakPolarHBondContact O-CB 3.46Å; A702-Q705 PolarHBondContact O-N 3.39Å; A702-Q705 VanDerWaalsContact O-N 3.15Å; F703-Q705 VanDerWaalsContact C-N 3.31Å; F703-Q705 PolarHBondContact O-N 2.98Å; Q705-W707 VanDerWaalsContact C-N 3.32Å; Q705-W707 PolarHBondContact O-N 3.06Å; Q705-K708 WeakPolarHBondContact O-CB 3.35Å; Q705-K708 PolarHBondContact O-N 2.87Å; Q705-D709 WeakPolarHBondContact O-CB 3.39Å; Q705-D709 VanDerWaalsContact O-CG 3.28Å; Q705-D709 PolarHBondContact O-N 3.39Å
706	T	85.2	Confident	80.8	Confident	58 Å²	58	59.2 Å²	59.2	36%	0.356	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-40.1	177.3	50	0	0	0	0	111.9	A702 F703 D709 F710	A702-T706 PolarHBondContact O-N 3.44Å; A702-T706 PolarHBondContact O-OG1 3.28Å; F703-T706 WeakPolarHBondContact CA-OG1 3.4Å; F703-T706 PolarHBondContact O-N 3.49Å; F703-T706 PolarHBondContact O-OG1 3.47Å; T706-D709 PolarHBondContact O-N 3.13Å; T706-F710 WeakPolarHBondContact O-CB 3.4Å; T706-F710 PolarHBondContact O-N 3.31Å
707	W	86.5	Confident	81	Confident	5 Å²	5	65.5 Å²	65.5	2%	0.019	35%	0.345	C	S	.	.	H	α-helix	trans	-68.9	-38.2	175.6	-172.3	17.3	0	0	0	112	Y688 F703 W704 Q705 F710 E711 M723 I726	Y688-W707 HydrophobicContact CD1-CB 3.89Å; Y688-W707 AromaticContact CD1-CG 3.98Å; Y688-W707 HydrophobicContact CD1-CG 3.98Å; Y688-W707 AromaticContact CD2-CD1 4Å; Y688-W707 HydrophobicContact CE1-CB 4.3Å; Y688-W707 HydrophobicContact CG-CB 4.34Å; Y688-W707 AromaticContact CG-CD1 3.64Å; Y688-W707 AromaticContact CG-CG 3.95Å; Y688-W707 HydrophobicContact CG-CG 3.95Å; F703-W707 HydrophobicContact CE1-CE3 4.04Å; F703-W707 HydrophobicContact CZ-CE3 4.36Å; F703-W707 WeakPolarHBondContact O-CB 3.2Å; F703-W707 PolarHBondContact O-N 3.07Å; W704-W707 AromaticContact CE3-CE3 3.78Å; W704-W707 HydrophobicContact CE3-CE3 3.78Å; W704-W707 HydrophobicContact CE3-CZ3 4.07Å; W704-W707 HydrophobicContact CH2-CE3 4.24Å; W704-W707 AromaticContact CH2-CZ3 3.75Å; W704-W707 HydrophobicContact CH2-CZ3 3.75Å; W704-W707 AromaticContact CZ3-CE3 3.54Å; W704-W707 HydrophobicContact CZ3-CE3 3.54Å; W704-W707 HydrophobicContact CZ3-CH2 4.49Å; W704-W707 AromaticContact CZ3-CZ3 3.32Å; W704-W707 HydrophobicContact CZ3-CZ3 3.32Å; Q705-W707 VanDerWaalsContact C-N 3.32Å; Q705-W707 PolarHBondContact O-N 3.06Å; W707-F710 WeakPolarHBondContact O-CB 3.38Å; W707-F710 PolarHBondContact O-N 3.49Å; W707-E711 PolarHBondContact NE1-OE1 2.87Å; W707-E711 PolarHBondContact O-N 2.96Å; W707-M723 HydrophobicContact CD2-CG 3.7Å; W707-M723 HydrophobicContact CE3-CG 3.89Å; W707-M723 HydrophobicContact CG-CG 4.26Å; W707-M723 HydrophobicContact CH2-CG 4.16Å; W707-M723 HydrophobicContact CZ2-CB 4.14Å; W707-M723 HydrophobicContact CZ2-CG 3.97Å; W707-M723 HydrophobicContact CZ3-CG 4.12Å; W707-I726 HydrophobicContact CH2-CB 4.08Å; W707-I726 HydrophobicContact CH2-CD1 3.86Å; W707-I726 HydrophobicContact CH2-CG2 3.88Å; W707-I726 HydrophobicContact CZ2-CD1 4.35Å; W707-I726 HydrophobicContact CZ3-CG2 4.12Å
708	K	85.1	Confident	81.5	Confident	111 Å²	111	69.7 Å²	69.7	48%	0.483	37%	0.367	S	S	.	.	H	α-helix	trans	-61.9	-45.5	173	-177.2	-174.8	176.5	-169.3	0	111.5	W704 Q705 F710 E711 V712 M723	W704-K708 VanDerWaalsContact O-CB 3.23Å; W704-K708 WeakPolarHBondContact O-CB 3.22Å; W704-K708 PolarHBondContact O-N 3.22Å; Q705-K708 WeakPolarHBondContact O-CB 3.35Å; Q705-K708 PolarHBondContact O-N 2.87Å; K708-F710 VanDerWaalsContact C-N 3.28Å; K708-F710 PolarHBondContact O-N 3.08Å; K708-E711 PolarHBondContact O-N 2.8Å; K708-V712 HydrophobicContact CG-CG2 4.39Å; K708-V712 WeakPolarHBondContact O-CB 3.39Å; K708-V712 WeakPolarHBondContact O-CG2 3.42Å; K708-V712 PolarHBondContact O-N 3.12Å; K708-M723 HydrophobicContact CB-CE 4.11Å; K708-M723 HydrophobicContact CG-CE 4.14Å
709	D	88	Confident	82.1	Confident	76 Å²	76	66.8 Å²	66.8	41%	0.406	36%	0.359	S	S	.	.	H	α-helix	trans	-64.8	-35.4	178.6	-69.8	-11.6	0	0	0	111.5	Q705 T706 V712 R713	Q705-D709 WeakPolarHBondContact O-CB 3.39Å; Q705-D709 VanDerWaalsContact O-CG 3.28Å; Q705-D709 PolarHBondContact O-N 3.39Å; T706-D709 PolarHBondContact O-N 3.13Å; D709-V712 PolarHBondContact O-N 3.44Å; D709-R713 VanDerWaalsContact O-CG 3.27Å; D709-R713 WeakPolarHBondContact O-CG 3.33Å; D709-R713 PolarHBondContact O-N 2.83Å; D709-R713 VanDerWaalsContact O-N 3.13Å
710	F	86.6	Confident	82.7	Confident	9 Å²	9	65.3 Å²	65.3	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-62.2	-50.7	172.2	170.7	-95.5	0	0	0	112	C676 I681 A684 R685 Y688 T706 W707 K708 V712 R713 H714	C676-F710 WeakPolarHBondContact SG-CE2 3.26Å; I681-F710 HydrophobicContact CG2-CE1 4.46Å; I681-F710 HydrophobicContact CG2-CE2 4.14Å; I681-F710 HydrophobicContact CG2-CZ 3.6Å; I681-F710 WeakPolarHBondContact O-CZ 3.26Å; A684-F710 HydrophobicContact CB-CE2 3.72Å; A684-F710 HydrophobicContact CB-CZ 3.77Å; R685-F710 HydrophobicContact CB-CE1 3.98Å; R685-F710 HydrophobicContact CB-CZ 4.29Å; R685-F710 HydrophobicContact CG-CE1 4.4Å; Y688-F710 AromaticContact CD2-CD1 3.78Å; Y688-F710 HydrophobicContact CD2-CD1 3.78Å; Y688-F710 HydrophobicContact CD2-CD2 4.36Å; Y688-F710 HydrophobicContact CD2-CE1 4.02Å; Y688-F710 AromaticContact CD2-CG 3.96Å; Y688-F710 HydrophobicContact CD2-CG 3.96Å; Y688-F710 HydrophobicContact CD2-CZ 4.4Å; Y688-F710 HydrophobicContact CE2-CB 3.91Å; Y688-F710 AromaticContact CE2-CD1 3.88Å; Y688-F710 HydrophobicContact CE2-CD1 3.88Å; Y688-F710 AromaticContact CE2-CD2 3.7Å; Y688-F710 HydrophobicContact CE2-CD2 3.7Å; Y688-F710 HydrophobicContact CE2-CE1 4.32Å; Y688-F710 HydrophobicContact CE2-CE2 4.17Å; Y688-F710 AromaticContact CE2-CG 3.54Å; Y688-F710 HydrophobicContact CE2-CG 3.54Å; Y688-F710 HydrophobicContact CE2-CZ 4.44Å; T706-F710 WeakPolarHBondContact O-CB 3.4Å; T706-F710 PolarHBondContact O-N 3.31Å; W707-F710 WeakPolarHBondContact O-CB 3.38Å; W707-F710 PolarHBondContact O-N 3.49Å; K708-F710 VanDerWaalsContact C-N 3.28Å; K708-F710 PolarHBondContact O-N 3.08Å; F710-V712 VanDerWaalsContact C-N 3.3Å; F710-V712 PolarHBondContact O-N 3.43Å; F710-R713 PolarHBondContact O-N 2.95Å; F710-H714 AromaticContact CD2-CD2 3.78Å; F710-H714 AromaticContact CE2-CD2 3.86Å; F710-H714 PolarHBondContact O-CD2 3.14Å; F710-H714 PolarHBondContact O-N 2.9Å
711	E	86.9	Confident	83.1	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.009	37%	0.365	C	S	.	.	H	α-helix	trans	-67.7	-29.7	178.4	-69.2	-62.7	157.5	0	0	112.5	R685 W707 K708 R713 G715 T719 I720 M723	R685-E711 WeakPolarHBondContact CD-OE1 3.48Å; R685-E711 WeakPolarHBondContact CG-OE1 3.48Å; R685-E711 IonicContact NE-OE1 3.84Å; R685-E711 PolarHBondContact NE-OE1 3.47Å; R685-E711 IonicContact NE-OE2 3.64Å; R685-E711 IonicContact NH2-OE2 3.58Å; W707-E711 PolarHBondContact NE1-OE1 2.87Å; W707-E711 PolarHBondContact O-N 2.96Å; K708-E711 PolarHBondContact O-N 2.8Å; E711-R713 VanDerWaalsContact C-N 3.32Å; E711-G715 WeakPolarHBondContact O-CA 3.41Å; E711-G715 PolarHBondContact O-N 2.82Å; E711-T719 WeakPolarHBondContact OE2-CB 3.32Å; E711-T719 PolarHBondContact OE2-OG1 3.31Å; E711-I720 HydrophobicContact CB-CG1 4.01Å; E711-M723 HydrophobicContact CG-CB 4.36Å
712	V	85.7	Confident	83.4	Confident	97 Å²	97	72.9 Å²	72.9	59%	0.588	37%	0.367	S	S	*	.	H	α-helix	trans	-67.4	-33.3	173.4	168.4	0	0	0	0	111.7	K708 D709 F710	K708-V712 HydrophobicContact CG-CG2 4.39Å; K708-V712 WeakPolarHBondContact O-CB 3.39Å; K708-V712 WeakPolarHBondContact O-CG2 3.42Å; K708-V712 PolarHBondContact O-N 3.12Å; D709-V712 PolarHBondContact O-N 3.44Å; F710-V712 VanDerWaalsContact C-N 3.3Å; F710-V712 PolarHBondContact O-N 3.43Å
713	R	84.9	Confident	83.4	Confident	187 Å²	187	69.7 Å²	69.7	71%	0.706	34%	0.34	S	S	*	.	H	α-helix	trans	-81.9	-32.5	179.2	-70.3	173.1	-164	168	7.9	113.3	D709 F710 E711	D709-R713 VanDerWaalsContact O-CG 3.27Å; D709-R713 WeakPolarHBondContact O-CG 3.33Å; D709-R713 PolarHBondContact O-N 2.83Å; D709-R713 VanDerWaalsContact O-N 3.13Å; F710-R713 PolarHBondContact O-N 2.95Å; E711-R713 VanDerWaalsContact C-N 3.32Å
714	H	81.5	Confident	83.4	Confident	84 Å²	84	72.3 Å²	72.3	39%	0.389	35%	0.354	S	S	.	.	H	α-helix	trans	-128.3	-1.7	-165.5	-61.1	-67.3	0	0	0	115	I681 F710	I681-H714 HydrophobicContact CD1-CB 4.09Å; I681-H714 WeakPolarHBondContact CD1-ND1 3.34Å; I681-H714 HydrophobicContact CG1-CB 4.47Å; I681-H714 HydrophobicContact CG2-CB 3.67Å; F710-H714 AromaticContact CD2-CD2 3.78Å; F710-H714 AromaticContact CE2-CD2 3.86Å; F710-H714 PolarHBondContact O-CD2 3.14Å; F710-H714 PolarHBondContact O-N 2.9Å
715	G	79.7	Confident	83.5	Confident	25 Å²	25	79.5 Å²	79.5	26%	0.258	38%	0.381	S	S	.	.			trans	-105.5	167.1	-170.3	0	0	0	0	0	115.5	E711 T719	E711-G715 WeakPolarHBondContact O-CA 3.41Å; E711-G715 PolarHBondContact O-N 2.82Å; G715-T719 WeakPolarHBondContact CA-OG1 3.33Å
716	N	78.1	Confident	83.5	Confident	118 Å²	118	74.8 Å²	74.8	63%	0.631	36%	0.36	S	S	*	.			trans	-99.8	168.4	169	-68.3	-25.8	0	0	0	109.3	D718 T719 I720	N716-D718 PolarHBondContact O-N 2.92Å; N716-D718 VanDerWaalsContact O-N 3.09Å; N716-T719 HydrophobicContact CB-CG2 4.44Å; N716-T719 PolarHBondContact N-OG1 3.09Å; N716-T719 PolarHBondContact O-N 3.17Å; N716-T719 PolarHBondContact O-OG1 2.7Å; N716-I720 PolarHBondContact O-N 2.87Å; N716-I720 VanDerWaalsContact O-N 3.12Å
717	E	78.8	Confident	83.4	Confident	140 Å²	140	76.4 Å²	76.4	65%	0.654	36%	0.359	S	S	*	.	H	α-helix	trans	-52.5	-35.8	173.3	-67.7	-168	179.9	0	0	112.5	R721	E717-R721 WeakPolarHBondContact O-CB 3.22Å; E717-R721 WeakPolarHBondContact O-CG 3.18Å; E717-R721 PolarHBondContact O-N 3.09Å; E717-R721 IonicContact OE2-CZ 2.78Å; E717-R721 IonicContact OE2-NH2 2.77Å; E717-R721 PolarHBondContact OE2-NH2 2.85Å
718	D	82.2	Confident	83.2	Confident	104 Å²	104	83.9 Å²	83.9	56%	0.556	39%	0.388	S	S	*	.	H	α-helix	trans	-69.7	-35.9	179.1	-63.2	-35.8	0	0	0	112.9	N716 R721 E722	N716-D718 PolarHBondContact O-N 2.92Å; N716-D718 VanDerWaalsContact O-N 3.09Å; D718-R721 PolarHBondContact O-N 2.94Å; D718-R721 IonicContact OD1-CZ 3.21Å; D718-R721 IonicContact OD1-NH1 3.37Å; D718-R721 PolarHBondContact OD1-NH1 3.38Å; D718-E722 WeakPolarHBondContact O-CB 3.32Å; D718-E722 PolarHBondContact O-N 3.39Å
719	T	79.5	Confident	83.1	Confident	33 Å²	33	81.5 Å²	81.5	20%	0.202	39%	0.385	C	S	.	.	H	α-helix	trans	-73.4	-34.9	178.5	69.1	0	0	0	0	111.3	E711 G715 N716 E722 M723	E711-T719 WeakPolarHBondContact OE2-CB 3.32Å; E711-T719 PolarHBondContact OE2-OG1 3.31Å; G715-T719 WeakPolarHBondContact CA-OG1 3.33Å; N716-T719 HydrophobicContact CB-CG2 4.44Å; N716-T719 PolarHBondContact N-OG1 3.09Å; N716-T719 PolarHBondContact O-N 3.17Å; N716-T719 PolarHBondContact O-OG1 2.7Å; T719-E722 PolarHBondContact O-N 2.74Å; T719-M723 PolarHBondContact O-N 2.68Å
720	I	82.8	Confident	82.8	Confident	55 Å²	55	78.5 Å²	78.5	28%	0.282	37%	0.369	S	S	.	.	H	α-helix	trans	-66.5	-41.8	172.2	-63.8	169.8	0	0	0	110.6	E711 N716 E722 M723 L724	E711-I720 HydrophobicContact CB-CG1 4.01Å; N716-I720 PolarHBondContact O-N 2.87Å; N716-I720 VanDerWaalsContact O-N 3.12Å; I720-E722 VanDerWaalsContact C-N 3.31Å; I720-E722 PolarHBondContact O-N 3.19Å; I720-M723 PolarHBondContact O-N 3.32Å; I720-L724 HydrophobicContact CG2-CD1 4.35Å; I720-L724 WeakPolarHBondContact O-CG 3.27Å; I720-L724 PolarHBondContact O-N 3.29Å
721	R	83.3	Confident	82.5	Confident	128 Å²	128	81.5 Å²	81.5	48%	0.483	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-41.1	174.6	-74.7	170.1	-163.2	165.9	1.7	111.3	E717 D718 L724 R725	E717-R721 WeakPolarHBondContact O-CB 3.22Å; E717-R721 WeakPolarHBondContact O-CG 3.18Å; E717-R721 PolarHBondContact O-N 3.09Å; E717-R721 IonicContact OE2-CZ 2.78Å; E717-R721 IonicContact OE2-NH2 2.77Å; E717-R721 PolarHBondContact OE2-NH2 2.85Å; D718-R721 PolarHBondContact O-N 2.94Å; D718-R721 IonicContact OD1-CZ 3.21Å; D718-R721 IonicContact OD1-NH1 3.37Å; D718-R721 PolarHBondContact OD1-NH1 3.38Å; R721-L724 PolarHBondContact O-N 3.47Å; R721-R725 WeakPolarHBondContact O-CG 3.37Å; R721-R725 PolarHBondContact O-N 3.31Å
722	E	82.2	Confident	82	Confident	86 Å²	86	83.7 Å²	83.7	40%	0.402	40%	0.402	S	S	.	.	H	α-helix	trans	-66.4	-44.2	177.8	-165.7	55.3	-146.1	0	0	111.7	D718 T719 I720 L724 R725 I726	D718-E722 WeakPolarHBondContact O-CB 3.32Å; D718-E722 PolarHBondContact O-N 3.39Å; T719-E722 PolarHBondContact O-N 2.74Å; I720-E722 VanDerWaalsContact C-N 3.31Å; I720-E722 PolarHBondContact O-N 3.19Å; E722-L724 VanDerWaalsContact C-N 3.28Å; E722-L724 PolarHBondContact O-N 2.94Å; E722-R725 WeakPolarHBondContact O-CA 3.39Å; E722-R725 WeakPolarHBondContact O-CB 3.28Å; E722-R725 PolarHBondContact O-N 3.4Å; E722-R725 WeakPolarHBondContact OE2-CD 3.5Å; E722-R725 IonicContact OE2-NH1 2.75Å; E722-R725 PolarHBondContact OE2-NH1 3.42Å; E722-I726 HydrophobicContact CG-CD1 4.26Å; E722-I726 WeakPolarHBondContact O-CG1 3.5Å; E722-I726 PolarHBondContact O-N 3.35Å
723	M	82	Confident	81.5	Confident	4 Å²	4	82.5 Å²	82.5	2%	0.02	40%	0.395	C	S	.	.	H	α-helix	trans	-56.2	-43	171.4	178.2	-81.4	-69.3	0	0	111.8	W704 W707 K708 E711 T719 I720 R725 I726 R727	W704-M723 HydrophobicContact CE3-SD 4.49Å; W707-M723 HydrophobicContact CD2-CG 3.7Å; W707-M723 HydrophobicContact CE3-CG 3.89Å; W707-M723 HydrophobicContact CG-CG 4.26Å; W707-M723 HydrophobicContact CH2-CG 4.16Å; W707-M723 HydrophobicContact CZ2-CB 4.14Å; W707-M723 HydrophobicContact CZ2-CG 3.97Å; W707-M723 HydrophobicContact CZ3-CG 4.12Å; K708-M723 HydrophobicContact CB-CE 4.11Å; K708-M723 HydrophobicContact CG-CE 4.14Å; E711-M723 HydrophobicContact CG-CB 4.36Å; T719-M723 PolarHBondContact O-N 2.68Å; I720-M723 PolarHBondContact O-N 3.32Å; M723-R725 VanDerWaalsContact C-N 3.31Å; M723-R725 PolarHBondContact O-N 3.3Å; M723-I726 PolarHBondContact O-N 3.01Å; M723-R727 VanDerWaalsContact O-CB 3.31Å; M723-R727 WeakPolarHBondContact O-CB 3.18Å; M723-R727 PolarHBondContact O-N 2.72Å
724	L	84	Confident	80.6	Confident	64 Å²	64	75.8 Å²	75.8	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-69.2	-26.3	176.7	-71.2	175.2	0	0	0	113.4	I720 R721 E722 R728	I720-L724 HydrophobicContact CG2-CD1 4.35Å; I720-L724 WeakPolarHBondContact O-CG 3.27Å; I720-L724 PolarHBondContact O-N 3.29Å; R721-L724 PolarHBondContact O-N 3.47Å; E722-L724 VanDerWaalsContact C-N 3.28Å; E722-L724 PolarHBondContact O-N 2.94Å; L724-R728 WeakPolarHBondContact O-CB 3.27Å; L724-R728 WeakPolarHBondContact O-CG 3.41Å; L724-R728 PolarHBondContact O-N 3.43Å; L724-R728 VanDerWaalsContact O-N 3.16Å; L724-R728 PolarHBondContact O-NE 3.19Å
725	R	85.9	Confident	79.9	Confident	155 Å²	155	75 Å²	75	59%	0.585	37%	0.368	S	S	*	.	H	α-helix	trans	-72.3	-48.1	171.7	-76.5	171.6	177.1	-177.8	-1.5	110.5	R721 E722 M723 R727 R728 S729	R721-R725 WeakPolarHBondContact O-CG 3.37Å; R721-R725 PolarHBondContact O-N 3.31Å; E722-R725 WeakPolarHBondContact O-CA 3.39Å; E722-R725 WeakPolarHBondContact O-CB 3.28Å; E722-R725 PolarHBondContact O-N 3.4Å; E722-R725 WeakPolarHBondContact OE2-CD 3.5Å; E722-R725 IonicContact OE2-NH1 2.75Å; E722-R725 PolarHBondContact OE2-NH1 3.42Å; M723-R725 VanDerWaalsContact C-N 3.31Å; M723-R725 PolarHBondContact O-N 3.3Å; R725-R727 VanDerWaalsContact C-N 3.29Å; R725-R727 PolarHBondContact O-N 3.42Å; R725-R728 CarbonylContact O-C 3.59Å; R725-R728 PolarHBondContact O-N 2.85Å; R725-S729 PolarHBondContact O-N 3.17Å; R725-S729 PolarHBondContact O-OG 3.29Å
726	I	84.6	Confident	79.1	Confident	30 Å²	30	79 Å²	79	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-60.1	-42.9	175.9	-63.3	167.3	0	0	0	109.9	S692 W704 W707 E722 M723 R728 S729 V730	S692-I726 WeakPolarHBondContact OG-CG2 3.24Å; W704-I726 HydrophobicContact CH2-CG2 4.37Å; W707-I726 HydrophobicContact CH2-CB 4.08Å; W707-I726 HydrophobicContact CH2-CD1 3.86Å; W707-I726 HydrophobicContact CH2-CG2 3.88Å; W707-I726 HydrophobicContact CZ2-CD1 4.35Å; W707-I726 HydrophobicContact CZ3-CG2 4.12Å; E722-I726 HydrophobicContact CG-CD1 4.26Å; E722-I726 WeakPolarHBondContact O-CG1 3.5Å; E722-I726 PolarHBondContact O-N 3.35Å; M723-I726 PolarHBondContact O-N 3.01Å; I726-R728 VanDerWaalsContact C-N 3.3Å; I726-R728 PolarHBondContact O-N 2.88Å; I726-S729 WeakPolarHBondContact CA-OG 3.37Å; I726-S729 PolarHBondContact O-N 3.04Å; I726-S729 PolarHBondContact O-OG 3.33Å; I726-V730 HydrophobicContact CG2-CG2 3.97Å; I726-V730 VanDerWaalsContact O-CB 3.3Å; I726-V730 WeakPolarHBondContact O-CB 3.48Å; I726-V730 WeakPolarHBondContact O-CG2 3.22Å; I726-V730 PolarHBondContact O-N 3.47Å
727	R	83.9	Confident	78.1	Confident	92 Å²	92	78 Å²	78	35%	0.347	38%	0.38	S	S	.	.	H	α-helix	trans	-57	-43.9	173.6	-171.5	175.6	170.4	175.8	-0.1	112.5	W704 M723 R725 Q731	W704-R727 HydrophobicContact CD2-CG 4.2Å; W704-R727 HydrophobicContact CE3-CB 3.82Å; W704-R727 HydrophobicContact CE3-CG 3.7Å; W704-R727 VanDerWaalsContact CH2-CA 3.44Å; W704-R727 HydrophobicContact CH2-CB 3.92Å; W704-R727 HydrophobicContact CH2-CG 4.19Å; W704-R727 VanDerWaalsContact CZ3-CA 3.41Å; W704-R727 HydrophobicContact CZ3-CB 3.35Å; W704-R727 HydrophobicContact CZ3-CG 3.7Å; M723-R727 VanDerWaalsContact O-CB 3.31Å; M723-R727 WeakPolarHBondContact O-CB 3.18Å; M723-R727 PolarHBondContact O-N 2.72Å; R725-R727 VanDerWaalsContact C-N 3.29Å; R725-R727 PolarHBondContact O-N 3.42Å; R727-Q731 WeakPolarHBondContact O-CB 3.39Å; R727-Q731 PolarHBondContact O-N 2.86Å
728	R	82.1	Confident	76.5	Confident	162 Å²	162	76.7 Å²	76.7	61%	0.611	38%	0.381	S	S	*	.	H	α-helix	trans	-71.5	-37.7	178.7	-80.8	-177.6	-104.5	-174	-10	112.4	L724 R725 I726 A732	L724-R728 WeakPolarHBondContact O-CB 3.27Å; L724-R728 WeakPolarHBondContact O-CG 3.41Å; L724-R728 PolarHBondContact O-N 3.43Å; L724-R728 VanDerWaalsContact O-N 3.16Å; L724-R728 PolarHBondContact O-NE 3.19Å; R725-R728 CarbonylContact O-C 3.59Å; R725-R728 PolarHBondContact O-N 2.85Å; I726-R728 VanDerWaalsContact C-N 3.3Å; I726-R728 PolarHBondContact O-N 2.88Å; R728-A732 VanDerWaalsContact O-CB 3.22Å; R728-A732 WeakPolarHBondContact O-CB 3.49Å; R728-A732 PolarHBondContact O-N 3.49Å
729	S	83.2	Confident	75.3	Confident	61 Å²	61	78.6 Å²	78.6	43%	0.427	39%	0.391	S	S	.	.	H	α-helix	trans	-67.7	-47.6	177.2	64.2	0	0	0	0	110.5	R725 I726 Q731 A732 T733	R725-S729 PolarHBondContact O-N 3.17Å; R725-S729 PolarHBondContact O-OG 3.29Å; I726-S729 WeakPolarHBondContact CA-OG 3.37Å; I726-S729 PolarHBondContact O-N 3.04Å; I726-S729 PolarHBondContact O-OG 3.33Å; S729-Q731 PolarHBondContact O-N 3.06Å; S729-A732 CarbonylContact O-C 3.51Å; S729-A732 WeakPolarHBondContact O-CA 3.41Å; S729-A732 WeakPolarHBondContact O-CB 3.34Å; S729-A732 PolarHBondContact O-N 3.23Å; S729-T733 WeakPolarHBondContact O-CG2 3.46Å; S729-T733 PolarHBondContact O-N 3.22Å; S729-T733 PolarHBondContact O-OG1 3.44Å
730	V	80.3	Confident	74.2	Confident	13 Å²	13	80.4 Å²	80.4	8%	0.079	40%	0.396	C	S	.	.	H	α-helix	trans	-62.8	-43	176.5	178.3	0	0	0	0	110.5	P697 W704 I726 A732 T733 Y734	P697-V730 HydrophobicContact CG-CB 4.34Å; P697-V730 HydrophobicContact CG-CG1 3.98Å; W704-V730 HydrophobicContact CH2-CB 4.37Å; W704-V730 HydrophobicContact CH2-CG2 4.43Å; W704-V730 HydrophobicContact CZ2-CB 4.32Å; W704-V730 HydrophobicContact CZ2-CG1 4.19Å; I726-V730 HydrophobicContact CG2-CG2 3.97Å; I726-V730 VanDerWaalsContact O-CB 3.3Å; I726-V730 WeakPolarHBondContact O-CB 3.48Å; I726-V730 WeakPolarHBondContact O-CG2 3.22Å; I726-V730 PolarHBondContact O-N 3.47Å; V730-A732 VanDerWaalsContact C-N 3.28Å; V730-A732 PolarHBondContact O-N 3.04Å; V730-T733 VanDerWaalsContact CA-OG1 3.32Å; V730-T733 WeakPolarHBondContact CA-OG1 3.23Å; V730-T733 PolarHBondContact O-N 3.45Å; V730-T733 PolarHBondContact O-OG1 3.4Å; V730-Y734 HydrophobicContact CG1-CD2 3.61Å; V730-Y734 HydrophobicContact CG1-CE2 3.37Å; V730-Y734 WeakPolarHBondContact O-CD2 3.39Å; V730-Y734 PolarHBondContact O-N 3.49Å
731	Q	79.9	Confident	72.2	Confident	72 Å²	72	82.9 Å²	82.9	34%	0.336	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-37.6	173.4	-171.9	173.3	8.9	0	0	111.6	P697 R727 S729 N735	P697-Q731 HydrophobicContact CB-CB 4.46Å; P697-Q731 HydrophobicContact CG-CB 4.1Å; R727-Q731 WeakPolarHBondContact O-CB 3.39Å; R727-Q731 PolarHBondContact O-N 2.86Å; S729-Q731 PolarHBondContact O-N 3.06Å; Q731-N735 WeakPolarHBondContact O-CB 3.29Å; Q731-N735 PolarHBondContact O-N 2.94Å; Q731-N735 PolarHBondContact O-ND2 3.29Å; Q731-N735 PolarHBondContact O-OD1 3.45Å
732	A	76.7	Confident	70.6	Confident	47 Å²	47	79.7 Å²	79.7	39%	0.388	41%	0.409	S	S	.	.	H	α-helix	trans	-68.9	-41.6	176.6	0	0	0	0	0	112.3	R728 S729 V730 Y734 N735 T736	R728-A732 VanDerWaalsContact O-CB 3.22Å; R728-A732 WeakPolarHBondContact O-CB 3.49Å; R728-A732 PolarHBondContact O-N 3.49Å; S729-A732 CarbonylContact O-C 3.51Å; S729-A732 WeakPolarHBondContact O-CA 3.41Å; S729-A732 WeakPolarHBondContact O-CB 3.34Å; S729-A732 PolarHBondContact O-N 3.23Å; V730-A732 VanDerWaalsContact C-N 3.28Å; V730-A732 PolarHBondContact O-N 3.04Å; A732-Y734 VanDerWaalsContact C-N 3.32Å; A732-Y734 PolarHBondContact O-N 3.35Å; A732-N735 PolarHBondContact O-N 3.23Å; A732-T736 PolarHBondContact O-N 2.95Å; A732-T736 PolarHBondContact O-OG1 3.4Å; A732-T736 VanDerWaalsContact O-OG1 3.12Å
733	T	76	Confident	69.4	Low	73 Å²	73	78.1 Å²	78.1	45%	0.448	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-36.9	177.7	53.1	0	0	0	0	111.8	S729 V730 T736 Q737	S729-T733 WeakPolarHBondContact O-CG2 3.46Å; S729-T733 PolarHBondContact O-N 3.22Å; S729-T733 PolarHBondContact O-OG1 3.44Å; V730-T733 VanDerWaalsContact CA-OG1 3.32Å; V730-T733 WeakPolarHBondContact CA-OG1 3.23Å; V730-T733 PolarHBondContact O-N 3.45Å; V730-T733 PolarHBondContact O-OG1 3.4Å; T733-T736 PolarHBondContact O-OG1 2.9Å; T733-Q737 WeakPolarHBondContact O-CG 3.35Å
734	Y	66.2	Low	68.1	Low	46 Å²	46	81.6 Å²	81.6	18%	0.18	42%	0.424	C	S	.	.	H	α-helix	trans	-79.1	-27.2	173.9	-70.3	-64.6	0	0	0	113	Q693 D696 V730 A732	Q693-Y734 PolarHBondContact O-OH 2.91Å; D696-Y734 HydrophobicContact CB-CD2 3.99Å; D696-Y734 HydrophobicContact CB-CE2 3.95Å; D696-Y734 HydrophobicContact CB-CG 4.32Å; V730-Y734 HydrophobicContact CG1-CD2 3.61Å; V730-Y734 HydrophobicContact CG1-CE2 3.37Å; V730-Y734 WeakPolarHBondContact O-CD2 3.39Å; V730-Y734 PolarHBondContact O-N 3.49Å; A732-Y734 VanDerWaalsContact C-N 3.32Å; A732-Y734 PolarHBondContact O-N 3.35Å
735	N	65.6	Low	66.3	Low	67 Å²	67	85 Å²	85	36%	0.358	44%	0.44	S	S	.	.	H	α-helix	trans	-72.5	-32.8	176.8	-74.6	-3.8	0	0	0	113.4	R698 Q731 A732 Q737	R698-N735 PolarHBondContact NE-OD1 2.89Å; R698-N735 VanDerWaalsContact NE-OD1 3.14Å; R698-N735 PolarHBondContact NH2-OD1 3.47Å; Q731-N735 WeakPolarHBondContact O-CB 3.29Å; Q731-N735 PolarHBondContact O-N 2.94Å; Q731-N735 PolarHBondContact O-ND2 3.29Å; Q731-N735 PolarHBondContact O-OD1 3.45Å; A732-N735 PolarHBondContact O-N 3.23Å; N735-Q737 VanDerWaalsContact C-N 3.28Å
736	T	63.8	Low	64.5	Low	108 Å²	108	84.1 Å²	84.1	66%	0.663	45%	0.445	S	S	*	.	S	Bend	trans	-77.6	-15.7	178.7	49.1	0	0	0	0	112.8	A732 T733 V738	A732-T736 PolarHBondContact O-N 2.95Å; A732-T736 PolarHBondContact O-OG1 3.4Å; A732-T736 VanDerWaalsContact O-OG1 3.12Å; T733-T736 PolarHBondContact O-OG1 2.9Å; T736-V738 VanDerWaalsContact C-N 3.35Å; T736-V738 PolarHBondContact O-N 2.91Å
737	Q	57.6	Low	63.1	Low	99 Å²	99	89.9 Å²	89.9	46%	0.463	47%	0.47	S	S	.	.			trans	-78.8	82.9	174.7	-69.8	173.9	3.7	0	0	110.2	T733 N735 N739 F740	T733-Q737 WeakPolarHBondContact O-CG 3.35Å; N735-Q737 VanDerWaalsContact C-N 3.28Å; Q737-N739 PolarHBondContact O-N 3.28Å; Q737-F740 WeakPolarHBondContact O-CB 3.44Å; Q737-F740 PolarHBondContact O-N 2.85Å
738	V	45.4	Very low	61.5	Low	112 Å²	112	89.9 Å²	89.9	68%	0.679	48%	0.479	S	S	*	.	H	α-helix	trans	-49.9	-28.4	175.8	177.9	0	0	0	0	112.4	T736 F740 M741	T736-V738 VanDerWaalsContact C-N 3.35Å; T736-V738 PolarHBondContact O-N 2.91Å; V738-F740 VanDerWaalsContact C-N 3.25Å; V738-F740 PolarHBondContact O-N 3.21Å; V738-M741 PolarHBondContact O-N 3.48Å
739	N	56.9	Low	59.7	Low	144 Å²	144	86.5 Å²	86.5	77%	0.77	48%	0.48	S	S	*	.	H	α-helix	trans	-63.4	-25.8	176.5	-67.7	-15.7	0	0	0	113.9	Q737 S743	Q737-N739 PolarHBondContact O-N 3.28Å; N739-S743 PolarHBondContact O-N 3.48Å
740	F	55.6	Low	57.7	Low	71 Å²	71	86.1 Å²	86.1	31%	0.311	49%	0.487	S	S	.	.	H	α-helix	trans	-80.1	-32.8	-177.7	-156.7	-98.9	0	0	0	112.7	D696 Q737 V738 A742 S743 Q744	D696-F740 WeakPolarHBondContact OD2-CE1 3.39Å; Q737-F740 WeakPolarHBondContact O-CB 3.44Å; Q737-F740 PolarHBondContact O-N 2.85Å; V738-F740 VanDerWaalsContact C-N 3.25Å; V738-F740 PolarHBondContact O-N 3.21Å; F740-A742 PolarHBondContact O-N 3.4Å; F740-S743 PolarHBondContact O-N 3.39Å; F740-Q744 WeakPolarHBondContact O-CB 3.45Å; F740-Q744 PolarHBondContact O-N 3.36Å
741	M	40.4	Very low	55.9	Low	107 Å²	107	89.7 Å²	89.7	53%	0.527	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-37.9	176.1	-81.7	-172.6	162.6	0	0	112.5	V738 Q744 M745	V738-M741 PolarHBondContact O-N 3.48Å; M741-Q744 PolarHBondContact O-N 2.9Å; M741-M745 PolarHBondContact O-N 3.38Å; M741-M745 VanDerWaalsContact O-N 3.12Å
742	A	49.7	Very low	53.7	Low	61 Å²	61	90.4 Å²	90.4	50%	0.504	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-43	176.6	0	0	0	0	0	112	F740 Q744 L746	F740-A742 PolarHBondContact O-N 3.4Å; A742-Q744 VanDerWaalsContact C-N 3.33Å; A742-Q744 PolarHBondContact O-N 3.02Å; A742-L746 WeakPolarHBondContact O-CD1 3.48Å; A742-L746 PolarHBondContact O-N 3.29Å
743	S	57	Low	51.9	Low	53 Å²	53	94.1 Å²	94.1	37%	0.371	55%	0.548	S	S	.	.	H	α-helix	trans	-63.7	-37.2	175.5	179.3	0	0	0	0	112.5	N739 F740 L746 K747	N739-S743 PolarHBondContact O-N 3.48Å; F740-S743 PolarHBondContact O-N 3.39Å; S743-L746 PolarHBondContact O-N 3.03Å; S743-K747 PolarHBondContact O-N 3.36Å
744	Q	54.6	Low	50	Low	77 Å²	77	93.8 Å²	93.8	36%	0.36	56%	0.56	S	S	.	*	H	α-helix	trans	-72.8	-39.7	-178.8	-157.7	173.2	25	0	0	112.5	F740 M741 A742 L746 K747 V748	F740-Q744 WeakPolarHBondContact O-CB 3.45Å; F740-Q744 PolarHBondContact O-N 3.36Å; M741-Q744 PolarHBondContact O-N 2.9Å; A742-Q744 VanDerWaalsContact C-N 3.33Å; A742-Q744 PolarHBondContact O-N 3.02Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; Q744-L746 PolarHBondContact O-N 2.63Å; Q744-K747 PolarHBondContact O-N 2.83Å; Q744-V748 WeakPolarHBondContact O-CG2 3.49Å; Q744-V748 PolarHBondContact O-N 3.26Å
745	M	46	Very low	48.4	Very low	136 Å²	136	97.3 Å²	97.3	67%	0.67	59%	0.586	S	S	*	*	H	α-helix	trans	-62.5	-35.4	174.7	-78.1	-76.1	-90.3	0	0	112.4	M741 V748 S749	M741-M745 PolarHBondContact O-N 3.38Å; M741-M745 VanDerWaalsContact O-N 3.12Å; M745-V748 VanDerWaalsContact O-CG2 3.31Å; M745-V748 WeakPolarHBondContact O-CG2 3.31Å; M745-S749 PolarHBondContact O-N 3.34Å; M745-S749 PolarHBondContact O-OG 3.41Å
746	L	50	Low	46.8	Very low	135 Å²	135	101 Å²	101	71%	0.707	61%	0.61	S	S	*	*	H	α-helix	trans	-66.1	-37.1	174.1	-80.1	156.7	0	0	0	112.5	A742 S743 Q744 G750	A742-L746 WeakPolarHBondContact O-CD1 3.48Å; A742-L746 PolarHBondContact O-N 3.29Å; S743-L746 PolarHBondContact O-N 3.03Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; Q744-L746 PolarHBondContact O-N 2.63Å; L746-G750 PolarHBondContact O-N 2.88Å
747	K	55	Low	45.4	Very low	152 Å²	152	101.4 Å²	101.4	66%	0.661	62%	0.618	S	S	*	*	H	α-helix	trans	-72.8	-34.4	179.4	-72.4	-177.4	-179.6	-176.1	0	113.7	S743 Q744 G750 S751	S743-K747 PolarHBondContact O-N 3.36Å; Q744-K747 PolarHBondContact O-N 2.83Å; K747-G750 PolarHBondContact O-N 3.13Å; K747-S751 PolarHBondContact O-N 3.49Å; K747-S751 PolarHBondContact O-OG 3.14Å
748	V	50.3	Low	44.1	Very low	91 Å²	91	104.5 Å²	104.5	55%	0.552	64%	0.638	S	S	*	*	H	α-helix	trans	-71.8	-34.3	175.2	-82.1	0	0	0	0	112.6	Q744 M745 G750 S751	Q744-V748 WeakPolarHBondContact O-CG2 3.49Å; Q744-V748 PolarHBondContact O-N 3.26Å; M745-V748 VanDerWaalsContact O-CG2 3.31Å; M745-V748 WeakPolarHBondContact O-CG2 3.31Å; V748-G750 VanDerWaalsContact C-N 3.32Å; V748-G750 PolarHBondContact O-N 3.05Å; V748-S751 PolarHBondContact O-N 2.9Å
749	S	42.6	Very low	43.7	Very low	91 Å²	91	107.6 Å²	107.6	64%	0.636	65%	0.649	S	S	*	*	H	α-helix	trans	-67.1	-31.4	173.7	-62.2	0	0	0	0	113.1	M745 T753	M745-S749 PolarHBondContact O-N 3.34Å; M745-S749 PolarHBondContact O-OG 3.41Å; S749-T753 PolarHBondContact O-OG1 2.66Å
750	G	42.5	Very low	42.7	Very low	54 Å²	54	105.5 Å²	105.5	56%	0.557	65%	0.652	S	S	*	*	H	α-helix	trans	-75.7	-17	175.6	0	0	0	0	0	115.1	L746 K747 V748	L746-G750 PolarHBondContact O-N 2.88Å; K747-G750 PolarHBondContact O-N 3.13Å; V748-G750 VanDerWaalsContact C-N 3.32Å; V748-G750 PolarHBondContact O-N 3.05Å
751	S	41.1	Very low	41.6	Very low	88 Å²	88	108.7 Å²	108.7	62%	0.615	68%	0.68	S	S	*	*	H	α-helix	trans	-91.8	-20.3	-176.2	-56.5	0	0	0	0	113.6	K747 V748 T753	K747-S751 PolarHBondContact O-N 3.49Å; K747-S751 PolarHBondContact O-OG 3.14Å; V748-S751 PolarHBondContact O-N 2.9Å; S751-T753 VanDerWaalsContact C-N 3.32Å; S751-T753 PolarHBondContact O-N 2.67Å
752	A	35.2	Very low	41.1	Very low	87 Å²	87	106.6 Å²	106.6	72%	0.719	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-8.6	-178.9	0	0	0	0	0	114.2
753	T	39.2	Very low	40.4	Very low	125 Å²	125	113.3 Å²	113.3	77%	0.767	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-2.6	-173.8	13.6	0	0	0	0	114	S749 S751	S749-T753 PolarHBondContact O-OG1 2.66Å; S751-T753 VanDerWaalsContact C-N 3.32Å; S751-T753 PolarHBondContact O-N 2.67Å
754	G	35.4	Very low	39.1	Very low	66 Å²	66	116.3 Å²	116.3	68%	0.68	73%	0.728	S	S	*	*	S	Bend	trans	-113.4	4.9	-164.9	0	0	0	0	0	118.1
755	T	32	Very low	38.3	Very low	120 Å²	120	116.1 Å²	116.1	74%	0.736	75%	0.746	S	S	*	*			trans	-119.1	74.2	-171.7	50.1	0	0	0	0	113.7
756	V	31.6	Very low	37.7	Very low	143 Å²	143	118.2 Å²	118.2	87%	0.867	76%	0.756	S	S	*	*	S	Bend	trans	-154.6	128.7	151.7	-142.5	0	0	0	0	111
757	S	35.6	Very low	37.4	Very low	118 Å²	118	116.7 Å²	116.7	83%	0.825	75%	0.749	S	S	*	*			trans	78	87.7	160.5	84.9	0	0	0	0	120.4
758	D	30.2	Very low	36.6	Very low	164 Å²	164	114.5 Å²	114.5	88%	0.877	74%	0.744	S	S	*	*			trans	-137.8	93.2	157.5	-151.6	12.5	0	0	0	108.9
759	L	37.1	Very low	36.1	Very low	177 Å²	177	117.2 Å²	117.2	93%	0.927	75%	0.753	S	S	*	*			trans	-160.2	93.8	173.7	-82.7	179.2	0	0	0	110.6
760	A	35.3	Very low	36.5	Very low	99 Å²	99	119.2 Å²	119.2	82%	0.818	75%	0.75	S	S	*	*				151.9	133.2	124	0	0	0	0	0	113.5
761	P	32.6	Very low	36.6	Very low	139 Å²	139	120.8 Å²	120.8	90%	0.903	75%	0.745	S	S	*	*			trans	-104.4	132.5	-166.8	18.5	2.6	0	0	0	113.9
762	G	30.8	Very low	37	Very low	63 Å²	63	122.4 Å²	122.4	65%	0.649	75%	0.746	S	S	*	*			trans	160.9	131.4	167.9	0	0	0	0	0	112.6
763	Q	33.9	Very low	37.8	Very low	202 Å²	202	124 Å²	124	94%	0.944	74%	0.739	S	S	*	*			trans	86.3	76.8	179.5	-53	175.6	1	0	0	115.5
764	S	29.7	Very low	38.5	Very low	116 Å²	116	123 Å²	123	81%	0.811	73%	0.725	S	S	*	*			trans	-150.9	91	174.1	-39.6	0	0	0	0	110.1
765	G	37.2	Very low	39	Very low	72 Å²	72	127.4 Å²	127.4	74%	0.742	72%	0.722	S	S	*	*	S	Bend	trans	-167.9	-1.8	178	0	0	0	0	0	116.1
766	M	35	Very low	39.8	Very low	181 Å²	181	124.4 Å²	124.4	89%	0.892	71%	0.709	S	S	*	*	S	Bend	trans	-126.4	-4.3	-176.8	-158.2	151.7	160.4	0	0	113.5
767	D	43.9	Very low	41.1	Very low	102 Å²	102	124.3 Å²	124.3	55%	0.545	70%	0.699	S	S	.	*	S	Bend	trans	-110.1	-9.4	-176.6	-86.1	-30	0	0	0	114.7	M769 K770 L771	D767-M769 VanDerWaalsContact C-N 3.28Å; D767-M769 PolarHBondContact O-N 3.49Å; D767-K770 PolarHBondContact O-N 3.04Å; D767-L771 HydrophobicContact CB-CD1 4.39Å; D767-L771 WeakPolarHBondContact O-CB 3.17Å; D767-L771 PolarHBondContact O-N 2.72Å
768	D	38.2	Very low	41.9	Very low	106 Å²	106	123.7 Å²	123.7	57%	0.567	68%	0.683	S	S	*	*	H	α-helix	trans	-66.2	-28.5	-175.1	-73.4	-30.9	0	0	0	113.7	L772	D768-L772 VanDerWaalsContact O-CB 3.31Å; D768-L772 WeakPolarHBondContact O-CB 3.25Å; D768-L772 WeakPolarHBondContact O-CD1 3.44Å; D768-L772 WeakPolarHBondContact O-CG 3.27Å; D768-L772 PolarHBondContact O-N 3.4Å
769	M	39.6	Very low	42.6	Very low	148 Å²	148	121.1 Å²	121.1	73%	0.729	67%	0.669	S	S	*	*	H	α-helix	trans	-79.4	-34.9	177	-155.9	-177.5	-68.2	0	0	111.9	D767 L772 E773	D767-M769 VanDerWaalsContact C-N 3.28Å; D767-M769 PolarHBondContact O-N 3.49Å; M769-L772 PolarHBondContact O-N 3.31Å; M769-E773 WeakPolarHBondContact O-CB 3.45Å; M769-E773 PolarHBondContact O-N 2.63Å
770	K	50.2	Low	43.2	Very low	133 Å²	133	115.3 Å²	115.3	58%	0.578	65%	0.646	S	S	*	*	H	α-helix	trans	-72.5	-33.4	172.3	-106	178	178	174.7	0	112.3	D767 Q774	D767-K770 PolarHBondContact O-N 3.04Å; K770-Q774 WeakPolarHBondContact O-CB 3.36Å; K770-Q774 VanDerWaalsContact O-CG 3.24Å; K770-Q774 WeakPolarHBondContact O-CG 3.23Å; K770-Q774 PolarHBondContact O-N 3.35Å
771	L	45.5	Very low	44.1	Very low	88 Å²	88	112.4 Å²	112.4	46%	0.461	62%	0.623	S	S	.	*	H	α-helix	trans	-72.3	-32.5	173.5	-117.8	113.8	0	0	0	111.8	D767 R775	D767-L771 HydrophobicContact CB-CD1 4.39Å; D767-L771 WeakPolarHBondContact O-CB 3.17Å; D767-L771 PolarHBondContact O-N 2.72Å; L771-R775 VanDerWaalsContact O-CB 3.25Å; L771-R775 WeakPolarHBondContact O-CB 3.41Å; L771-R775 PolarHBondContact O-N 2.99Å
772	L	48	Very low	44.6	Very low	121 Å²	121	110.4 Å²	110.4	63%	0.634	60%	0.601	S	S	*	*	H	α-helix	trans	-72.3	-40.2	172.4	-91.2	160	0	0	0	112.4	D768 M769 R775 A776	D768-L772 VanDerWaalsContact O-CB 3.31Å; D768-L772 WeakPolarHBondContact O-CB 3.25Å; D768-L772 WeakPolarHBondContact O-CD1 3.44Å; D768-L772 WeakPolarHBondContact O-CG 3.27Å; D768-L772 PolarHBondContact O-N 3.4Å; M769-L772 PolarHBondContact O-N 3.31Å; L772-R775 PolarHBondContact O-N 2.92Å; L772-A776 WeakPolarHBondContact O-CB 3.34Å; L772-A776 PolarHBondContact O-N 3.34Å
773	E	53.3	Low	45.2	Very low	122 Å²	122	110.3 Å²	110.3	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-68	-41.7	172.1	-80.4	179.8	156.4	0	0	111.9	M769 R775 A776 E777	M769-E773 WeakPolarHBondContact O-CB 3.45Å; M769-E773 PolarHBondContact O-N 2.63Å; E773-R775 VanDerWaalsContact C-N 3.35Å; E773-R775 PolarHBondContact O-N 2.99Å; E773-A776 PolarHBondContact O-N 3.38Å; E773-E777 WeakPolarHBondContact O-CB 3.47Å; E773-E777 WeakPolarHBondContact O-CG 3.45Å; E773-E777 PolarHBondContact O-N 3.45Å
774	Q	53.1	Low	45.8	Very low	102 Å²	102	108.1 Å²	108.1	48%	0.477	58%	0.584	S	S	.	*	H	α-helix	trans	-66.6	-33.1	172.4	-77.5	179.6	-2.1	0	0	112.4	K770 Q778	K770-Q774 WeakPolarHBondContact O-CB 3.36Å; K770-Q774 VanDerWaalsContact O-CG 3.24Å; K770-Q774 WeakPolarHBondContact O-CG 3.23Å; K770-Q774 PolarHBondContact O-N 3.35Å; Q774-Q778 WeakPolarHBondContact O-CB 3.46Å; Q774-Q778 WeakPolarHBondContact O-CG 3.43Å; Q774-Q778 PolarHBondContact O-N 2.99Å
775	R	46.1	Very low	46.6	Very low	159 Å²	159	112.3 Å²	112.3	60%	0.6	58%	0.582	S	S	*	*	H	α-helix	trans	-69.7	-36.6	171.1	-107.5	179.6	168.4	137.6	-3.1	112.3	L771 L772 E773 L779	L771-R775 VanDerWaalsContact O-CB 3.25Å; L771-R775 WeakPolarHBondContact O-CB 3.41Å; L771-R775 PolarHBondContact O-N 2.99Å; L772-R775 PolarHBondContact O-N 2.92Å; E773-R775 VanDerWaalsContact C-N 3.35Å; E773-R775 PolarHBondContact O-N 2.99Å; R775-L779 VanDerWaalsContact O-CB 3.24Å; R775-L779 WeakPolarHBondContact O-CB 2.6Å; R775-L779 WeakPolarHBondContact O-CD1 3.18Å; R775-L779 WeakPolarHBondContact O-CG 3.04Å; R775-L779 PolarHBondContact O-N 2.98Å
776	A	49	Very low	46.7	Very low	58 Å²	58	115.5 Å²	115.5	48%	0.479	58%	0.582	S	S	.	*	H	α-helix	trans	-70.6	-39.6	176.6	0	0	0	0	0	111.6	L772 E773 A780	L772-A776 WeakPolarHBondContact O-CB 3.34Å; L772-A776 PolarHBondContact O-N 3.34Å; E773-A776 PolarHBondContact O-N 3.38Å; A776-A780 VanDerWaalsContact O-CB 3.27Å; A776-A780 WeakPolarHBondContact O-CB 3.19Å; A776-A780 PolarHBondContact O-N 3.13Å
777	E	59.3	Low	46.9	Very low	140 Å²	140	114 Å²	114	65%	0.654	57%	0.573	S	S	*	*	H	α-helix	trans	-70.1	-36.2	171.6	-75	-177.6	162.7	0	0	112.2	E773 A780 A781	E773-E777 WeakPolarHBondContact O-CB 3.47Å; E773-E777 WeakPolarHBondContact O-CG 3.45Å; E773-E777 PolarHBondContact O-N 3.45Å; E777-A780 PolarHBondContact O-N 3.25Å; E777-A781 WeakPolarHBondContact O-CB 3.42Å; E777-A781 PolarHBondContact O-N 3.29Å
778	Q	52.5	Low	46.6	Very low	106 Å²	106	114.8 Å²	114.8	50%	0.495	58%	0.584	S	S	.	*	H	α-helix	trans	-68.5	-41.5	173.3	-78	167.8	7.2	0	0	111.7	Q774 A780 A781 E782	Q774-Q778 WeakPolarHBondContact O-CB 3.46Å; Q774-Q778 WeakPolarHBondContact O-CG 3.43Å; Q774-Q778 PolarHBondContact O-N 2.99Å; Q778-A780 VanDerWaalsContact C-N 3.34Å; Q778-A781 CarbonylContact O-C 3.57Å; Q778-A781 PolarHBondContact O-N 3.33Å; Q778-E782 WeakPolarHBondContact O-CB 3.4Å; Q778-E782 WeakPolarHBondContact O-CG 3.19Å; Q778-E782 PolarHBondContact O-N 3.14Å
779	L	45.1	Very low	46.4	Very low	110 Å²	110	115.4 Å²	115.4	58%	0.576	59%	0.594	S	S	*	*	H	α-helix	trans	-67.6	-33.2	174.4	-77	164.3	0	0	0	112.2	R775 A783	R775-L779 VanDerWaalsContact O-CB 3.24Å; R775-L779 WeakPolarHBondContact O-CB 2.6Å; R775-L779 WeakPolarHBondContact O-CD1 3.18Å; R775-L779 WeakPolarHBondContact O-CG 3.04Å; R775-L779 PolarHBondContact O-N 2.98Å; L779-A783 VanDerWaalsContact O-CB 3.25Å; L779-A783 WeakPolarHBondContact O-CB 3.38Å; L779-A783 PolarHBondContact O-N 2.93Å
780	A	49.5	Very low	46.1	Very low	54 Å²	54	120.5 Å²	120.5	45%	0.446	61%	0.605	S	S	.	*	H	α-helix	trans	-72.8	-37.7	172	0	0	0	0	0	112.3	A776 E777 Q778 A783 E784	A776-A780 VanDerWaalsContact O-CB 3.27Å; A776-A780 WeakPolarHBondContact O-CB 3.19Å; A776-A780 PolarHBondContact O-N 3.13Å; E777-A780 PolarHBondContact O-N 3.25Å; Q778-A780 VanDerWaalsContact C-N 3.34Å; A780-A783 PolarHBondContact O-N 3.46Å; A780-E784 WeakPolarHBondContact O-CG 3.4Å; A780-E784 PolarHBondContact O-N 2.83Å
781	A	54.4	Low	45.2	Very low	39 Å²	39	118.8 Å²	118.8	32%	0.322	62%	0.615	S	S	.	*	H	α-helix	trans	-74.7	-26.7	174.6	0	0	0	0	0	113	E777 Q778 R785	E777-A781 WeakPolarHBondContact O-CB 3.42Å; E777-A781 PolarHBondContact O-N 3.29Å; Q778-A781 CarbonylContact O-C 3.57Å; Q778-A781 PolarHBondContact O-N 3.33Å; A781-R785 WeakPolarHBondContact O-CB 3.39Å; A781-R785 WeakPolarHBondContact O-CD 3.4Å; A781-R785 WeakPolarHBondContact O-CG 3.25Å; A781-R785 PolarHBondContact O-N 2.92Å
782	E	42	Very low	44.8	Very low	96 Å²	96	123.6 Å²	123.6	45%	0.449	64%	0.635	S	S	.	*	H	α-helix	trans	-72.9	-41	169.3	-76.8	169.8	178.2	0	0	110.1	Q778 E784 R785 D786	Q778-E782 WeakPolarHBondContact O-CB 3.4Å; Q778-E782 WeakPolarHBondContact O-CG 3.19Å; Q778-E782 PolarHBondContact O-N 3.14Å; E782-E784 VanDerWaalsContact C-N 3.32Å; E782-E784 PolarHBondContact O-N 3.33Å; E782-R785 CarbonylContact O-C 3.56Å; E782-R785 PolarHBondContact O-N 3.41Å; E782-D786 WeakPolarHBondContact O-CB 3.29Å; E782-D786 PolarHBondContact O-N 3.44Å
783	A	43.5	Very low	44	Very low	62 Å²	62	122.7 Å²	122.7	51%	0.512	64%	0.639	S	S	.	*	H	α-helix	trans	-66.1	-28.4	171.8	0	0	0	0	0	113.9	L779 A780	L779-A783 VanDerWaalsContact O-CB 3.25Å; L779-A783 WeakPolarHBondContact O-CB 3.38Å; L779-A783 PolarHBondContact O-N 2.93Å; A780-A783 PolarHBondContact O-N 3.46Å
784	E	46	Very low	43	Very low	156 Å²	156	125.8 Å²	125.8	73%	0.729	65%	0.651	S	S	*	*	H	α-helix	trans	-80.3	-22.3	169.7	-75.8	-174.5	167.8	0	0	113.2	A780 E782	A780-E784 WeakPolarHBondContact O-CG 3.4Å; A780-E784 PolarHBondContact O-N 2.83Å; E782-E784 VanDerWaalsContact C-N 3.32Å; E782-E784 PolarHBondContact O-N 3.33Å
785	R	46.7	Very low	41.9	Very low	204 Å²	204	127.5 Å²	127.5	77%	0.77	66%	0.662	S	S	*	*	H	α-helix	trans	-83.4	-21.3	173.8	-80.6	171.4	177.8	178.4	1.8	113.4	A781 E782 Q787	A781-R785 WeakPolarHBondContact O-CB 3.39Å; A781-R785 WeakPolarHBondContact O-CD 3.4Å; A781-R785 WeakPolarHBondContact O-CG 3.25Å; A781-R785 PolarHBondContact O-N 2.92Å; E782-R785 CarbonylContact O-C 3.56Å; E782-R785 PolarHBondContact O-N 3.41Å; R785-Q787 VanDerWaalsContact C-N 3.35Å
786	D	40.4	Very low	41.3	Very low	138 Å²	138	129.3 Å²	129.3	74%	0.738	67%	0.674	S	S	*	*	S	Bend	trans	-87.8	4.9	178.1	-73.7	-24.6	0	0	0	114.1	E782	E782-D786 WeakPolarHBondContact O-CB 3.29Å; E782-D786 PolarHBondContact O-N 3.44Å
787	Q	38.8	Very low	40.2	Very low	150 Å²	150	135.6 Å²	135.6	70%	0.701	69%	0.691	S	S	*	*	S	Bend	trans	-79.9	123.8	162.5	-76.4	-175	8.9	0	0	110.4	R785	R785-Q787 VanDerWaalsContact C-N 3.35Å
788	P	37.1	Very low	39	Very low	119 Å²	119	134.8 Å²	134.8	77%	0.773	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-68	137.2	-172.3	26.8	-33.4	0	0	0	111.4
789	P	35	Very low	37.8	Very low	119 Å²	119	141.4 Å²	141.4	77%	0.773	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-71.1	134	179.6	28.7	-32.6	0	0	0	110.6	A791	P789-A791 PolarHBondContact O-N 3.31Å
790	R	31.9	Very low	37.1	Very low	255 Å²	255	140.5 Å²	140.5	96%	0.962	72%	0.719	S	S	*	*			trans	-59.7	98.1	161.1	-82.4	-178.9	172	173.8	-1.2	109	Q792	R790-Q792 PolarHBondContact O-N 3Å
791	A	33	Very low	36.2	Very low	97 Å²	97	144 Å²	144	80%	0.802	73%	0.73	S	S	*	*			trans	-71.3	122.5	176.4	0	0	0	0	0	112	P789	P789-A791 PolarHBondContact O-N 3.31Å
792	Q	36.9	Very low	35.3	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	75%	0.752	S	S	*	*			trans	-90.3	110.7	156.3	-79.5	179.6	-15.6	0	0	109.5	R790	R790-Q792 PolarHBondContact O-N 3Å
793	S	31	Very low	35.4	Very low	102 Å²	102	144.6 Å²	144.6	71%	0.713	75%	0.748	S	S	*	*			trans	49.1	108.3	145.9	64.1	0	0	0	0	121.1
794	K	31.8	Very low	35.1	Very low	187 Å²	187	151 Å²	151	81%	0.813	76%	0.759	S	S	*	*				170.9	104.8	105.3	-97.2	173.3	174.8	172.2	0	113.8
795	I	30.3	Very low	34.8	Very low	139 Å²	139	151.8 Å²	151.8	71%	0.713	76%	0.763	S	S	*	*			trans	54.4	111.8	136.5	-41.4	166.6	0	0	0	119
796	F	32.3	Very low	34.6	Very low	196 Å²	196	148.3 Å²	148.3	86%	0.86	76%	0.756	S	S	*	*				-176.9	108.3	115.5	-111.3	-87.6	0	0	0	113.8
797	F	26.8	Very low	34.7	Very low	191 Å²	191	147.1 Å²	147.1	84%	0.838	75%	0.748	S	S	*	*			trans	30.5	116.2	141.6	-143.6	-118.5	0	0	0	123.2
798	V	33.9	Very low	34.9	Very low	123 Å²	123	142.8 Å²	142.8	75%	0.745	74%	0.739	S	S	*	*			trans	107.4	132.4	147.9	-178.5	0	0	0	0	119
799	R	27.6	Very low	35.2	Very low	244 Å²	244	143.7 Å²	143.7	92%	0.921	73%	0.732	S	S	*	*			trans	-70.9	143	-166.8	-63.3	165.7	167.8	162.9	-5.5	115.2
800	S	29.9	Very low	35.6	Very low	91 Å²	91	143.2 Å²	143.2	64%	0.636	72%	0.723	S	S	*	*			trans	-164	4.5	153	80.7	0	0	0	0	122.1
801	D	30.7	Very low	36.1	Very low	127 Å²	127	135 Å²	135	68%	0.679	71%	0.709	S	S	*	*			trans	-112.2	16.8	-166.2	-73.9	-23.9	0	0	0	117.6	S803	D801-S803 PolarHBondContact O-N 3.34Å
802	A	35.3	Very low	36.7	Very low	94 Å²	94	138.6 Å²	138.6	78%	0.777	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	15	170.7	0	0	0	0	0	114.2
803	S	44.9	Very low	36.7	Very low	55 Å²	55	136.8 Å²	136.8	39%	0.385	70%	0.701	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.5	-5.7	-170.8	57.2	0	0	0	0	115.1	D801 L807	D801-S803 PolarHBondContact O-N 3.34Å; S803-L807 WeakPolarHBondContact O-CB 3.27Å; S803-L807 WeakPolarHBondContact O-CD1 3.45Å; S803-L807 PolarHBondContact O-N 3.36Å
804	R	38	Very low	37	Very low	196 Å²	196	136.1 Å²	136.1	74%	0.74	70%	0.702	S	S	*	*	H	α-helix	trans	-86.2	-30.6	-170.9	-113.7	175.5	172	170.3	-3.6	114.6	A808	R804-A808 PolarHBondContact O-N 3.23Å
805	E	39.1	Very low	37.4	Very low	173 Å²	173	133.1 Å²	133.1	81%	0.808	70%	0.695	S	S	*	*	H	α-helix	trans	-77.6	-39.7	171.8	-83.3	172.9	150.5	0	0	111.4	L807 A808 E809	E805-L807 VanDerWaalsContact C-N 3.3Å; E805-L807 PolarHBondContact O-N 3.18Å; E805-A808 PolarHBondContact O-N 3.07Å; E805-E809 PolarHBondContact O-N 3.09Å
806	E	42.6	Very low	37.6	Very low	131 Å²	131	132.3 Å²	132.3	61%	0.612	70%	0.698	S	S	*	*	H	α-helix	trans	-63.6	-31.6	173.2	-74.7	-176	160.4	0	0	112.8	L810	E806-L810 WeakPolarHBondContact O-CB 3.47Å; E806-L810 WeakPolarHBondContact O-CD1 3.46Å; E806-L810 WeakPolarHBondContact O-CG 3.49Å; E806-L810 PolarHBondContact O-N 2.91Å
807	L	42.5	Very low	37.8	Very low	112 Å²	112	131.3 Å²	131.3	59%	0.586	70%	0.696	S	S	*	*	H	α-helix	trans	-72.8	-27.2	175.1	-101	157.1	0	0	0	113.8	S803 E805 A811	S803-L807 WeakPolarHBondContact O-CB 3.27Å; S803-L807 WeakPolarHBondContact O-CD1 3.45Å; S803-L807 PolarHBondContact O-N 3.36Å; E805-L807 VanDerWaalsContact C-N 3.3Å; E805-L807 PolarHBondContact O-N 3.18Å; L807-A811 PolarHBondContact O-N 2.93Å
808	A	41.8	Very low	38.3	Very low	60 Å²	60	131 Å²	131	50%	0.496	70%	0.697	S	S	.	*	H	α-helix	trans	-78.2	-34.7	177.2	0	0	0	0	0	111.6	R804 E805	R804-A808 PolarHBondContact O-N 3.23Å; E805-A808 PolarHBondContact O-N 3.07Å
809	E	45	Very low	38.7	Very low	137 Å²	137	133 Å²	133	64%	0.64	70%	0.702	S	S	*	*	H	α-helix	trans	-74.6	-34.7	173.6	-69.5	-173.6	157.9	0	0	112.4	E805 A811 Q812	E805-E809 PolarHBondContact O-N 3.09Å; E809-A811 VanDerWaalsContact C-N 3.32Å; E809-A811 PolarHBondContact O-N 3.23Å; E809-Q812 PolarHBondContact O-N 2.92Å
810	L	42.3	Very low	39	Very low	110 Å²	110	130 Å²	130	58%	0.576	70%	0.699	S	S	*	*	H	α-helix	trans	-67.6	-26.8	174.1	-86.3	163.1	0	0	0	113.8	E806 Q812	E806-L810 WeakPolarHBondContact O-CB 3.47Å; E806-L810 WeakPolarHBondContact O-CD1 3.46Å; E806-L810 WeakPolarHBondContact O-CG 3.49Å; E806-L810 PolarHBondContact O-N 2.91Å; L810-Q812 VanDerWaalsContact C-N 3.32Å
811	A	43.4	Very low	39.4	Very low	81 Å²	81	134.3 Å²	134.3	67%	0.669	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-17.7	178.3	0	0	0	0	0	113.6	L807 E809	L807-A811 PolarHBondContact O-N 2.93Å; E809-A811 VanDerWaalsContact C-N 3.32Å; E809-A811 PolarHBondContact O-N 3.23Å
812	Q	45.6	Very low	39.8	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.813	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-9.8	177.2	-69.9	-177.4	-8.4	0	0	113.4	E809 L810	E809-Q812 PolarHBondContact O-N 2.92Å; L810-Q812 VanDerWaalsContact C-N 3.32Å
813	Q	37	Very low	40	Very low	150 Å²	150	135.8 Å²	135.8	70%	0.701	72%	0.718	S	S	*	*	S	Bend	trans	-98.9	2.6	-175.3	-75.3	-177.8	-9.8	0	0	115.2
814	A	36.9	Very low	39.8	Very low	88 Å²	88	140.2 Å²	140.2	73%	0.727	74%	0.737	S	S	*	*			trans	-99.8	88.5	-179	0	0	0	0	0	112.4
815	N	40	Very low	39.9	Very low	124 Å²	124	139.8 Å²	139.8	66%	0.663	74%	0.744	S	S	*	*				150	83.6	128.7	-161.7	21.4	0	0	0	113.9
816	P	34.6	Very low	39.9	Very low	121 Å²	121	138.8 Å²	138.8	79%	0.786	74%	0.744	S	S	*	*			trans	-108.9	41.5	171.1	39.7	-29	0	0	0	113.5
817	E	35.9	Very low	39.8	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.822	75%	0.754	S	S	*	*			trans	-143.8	64.6	174.5	-71.7	-166.4	161.7	0	0	113.3
818	E	38.2	Very low	39.7	Very low	184 Å²	184	142 Å²	142	86%	0.86	76%	0.76	S	S	*	*			trans	-125.1	120.1	158.7	-145.4	167.4	-165.4	0	0	110.8
819	I	40.7	Very low	39.7	Very low	165 Å²	165	146.6 Å²	146.6	85%	0.846	77%	0.771	S	S	*	*			trans	-69.1	143.7	-156.8	-68.8	158.5	0	0	0	114.9
820	Q	35.3	Very low	39.3	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	77%	0.774	S	S	*	*			trans	-69.7	142.5	169.6	-79.3	159.2	-45.6	0	0	114.8
821	L	37.9	Very low	39.2	Very low	180 Å²	180	147 Å²	147	94%	0.942	78%	0.775	S	S	*	*			trans	-150.1	125.8	144	-73.2	168.6	0	0	0	103.9
822	G	38.8	Very low	38.8	Very low	65 Å²	65	150.1 Å²	150.1	67%	0.67	78%	0.78	S	S	*	*			cis	136.2	159.4	30.4	0	0	0	0	0	106.3
823	E	39.1	Very low	38.6	Very low	187 Å²	187	151.3 Å²	151.3	87%	0.874	79%	0.786	S	S	*	*			trans	94.6	80	-175.5	-56.5	-179.8	-174.1	0	0	113.7
824	D	41.7	Very low	38.6	Very low	148 Å²	148	148.9 Å²	148.9	79%	0.791	78%	0.783	S	S	*	*				86.8	135	51.7	-62.8	-34.3	0	0	0	114.8
825	E	40.2	Very low	38.6	Very low	188 Å²	188	152.1 Å²	152.1	88%	0.879	79%	0.788	S	S	*	*			trans	115.1	115.3	147	-76	167.8	-162.3	0	0	120.1
826	D	39.4	Very low	38.6	Very low	152 Å²	152	154.8 Å²	154.8	81%	0.813	80%	0.796	S	S	*	*			trans	-88.6	-178.4	-171.5	-57.8	-68.5	0	0	0	114.1
827	E	39.5	Very low	38.7	Very low	175 Å²	175	154.7 Å²	154.7	82%	0.818	79%	0.794	S	S	*	*			trans	158	103.6	138.5	-85.5	178.1	-171	0	0	109.1
828	D	40.1	Very low	38.8	Very low	134 Å²	134	157.5 Å²	157.5	72%	0.717	80%	0.797	S	S	*	*				85.3	142.5	87.4	-70.1	-23.9	0	0	0	112.5
829	E	41.3	Very low	38.7	Very low	158 Å²	158	156.2 Å²	156.2	74%	0.738	80%	0.795	S	S	*	*			cis	-179.1	164.5	20.1	-132.4	-177.5	173.6	0	0	113
830	M	37.8	Very low	38.7	Very low	141 Å²	141	157.2 Å²	157.2	70%	0.695	80%	0.796	S	S	*	*			trans	81.3	139.8	147.2	-65.1	169.2	84.5	0	0	122
831	D	39.3	Very low	39.1	Very low	113 Å²	113	158 Å²	158	60%	0.604	80%	0.799	S	S	*	*			cis	-174.1	127.1	-2.5	-98	-19.1	0	0	0	108.6
832	L	36.5	Very low	39.1	Very low	147 Å²	147	158.2 Å²	158.2	77%	0.77	80%	0.796	S	S	*	*				80.8	122.1	94.8	-69.8	174.2	0	0	0	119.4
833	E	39.4	Very low	39.2	Very low	199 Å²	199	160.4 Å²	160.4	93%	0.93	80%	0.801	S	S	*	*				-177.7	125.9	116.7	-99.7	-174.5	-171.9	0	0	113.9
834	P	38.2	Very low	39.2	Very low	99 Å²	99	157.5 Å²	157.5	64%	0.643	80%	0.795	S	S	*	*			trans	-125.6	155.8	173.1	38.8	-25.5	0	0	0	115.5
835	N	36.9	Very low	39.3	Very low	156 Å²	156	155.8 Å²	155.8	83%	0.834	79%	0.793	S	S	*	*			trans	148.8	126.2	142.1	-82.7	-30	0	0	0	114
836	E	39.6	Very low	39.5	Very low	180 Å²	180	151.7 Å²	151.7	84%	0.841	79%	0.791	S	S	*	*				-176.4	123	124.3	-104	-174.6	-174.9	0	0	112.3
837	V	36.2	Very low	39.8	Very low	120 Å²	120	148.9 Å²	148.9	73%	0.727	79%	0.788	S	S	*	*			trans	-90.1	138	174.2	173.2	0	0	0	0	109.2	L839	V837-L839 HydrophobicContact CG1-CD1 4.2Å; V837-L839 HydrophobicContact CG1-CG 4.26Å
838	R	39.3	Very low	40.2	Very low	235 Å²	235	146.9 Å²	146.9	89%	0.887	79%	0.788	S	S	*	*			trans	-127.6	112.6	160.6	-81	-173.8	179.5	174.2	1.5	111.2
839	L	35	Very low	40.2	Very low	157 Å²	157	149.9 Å²	149.9	82%	0.822	80%	0.795	S	S	*	*			trans	-104.6	122.6	169.6	-83.3	154.9	0	0	0	108.6	V837	V837-L839 HydrophobicContact CG1-CD1 4.2Å; V837-L839 HydrophobicContact CG1-CG 4.26Å
840	E	42.1	Very low	40	Very low	186 Å²	186	145.7 Å²	145.7	87%	0.869	79%	0.794	S	S	*	*			trans	-150.7	98.6	157.8	-69	-168.8	161.5	0	0	108.9
841	Q	43.1	Very low	40	Very low	197 Å²	197	145 Å²	145	92%	0.921	80%	0.803	S	S	*	*				88.9	125.9	97.4	-76.4	-172	11.6	0	0	116.4
842	Q	37.5	Very low	40.1	Very low	186 Å²	186	147.5 Å²	147.5	87%	0.869	82%	0.816	S	S	*	*			trans	-73.4	158.6	-168.3	-70.1	172.4	-25	0	0	115.9
843	S	41.3	Very low	40.6	Very low	111 Å²	111	149.1 Å²	149.1	78%	0.776	82%	0.817	S	S	*	*				-146.4	123.1	129.1	59.2	0	0	0	0	111.4
844	V	39.5	Very low	40.9	Very low	125 Å²	125	149 Å²	149	76%	0.758	82%	0.816	S	S	*	*			trans	-106.5	118.5	169.3	175.3	0	0	0	0	107.3
845	P	43.6	Very low	40.7	Very low	113 Å²	113	154.6 Å²	154.6	73%	0.734	84%	0.841	S	S	*	*			trans	-116.6	112	167.7	-3.2	25.7	0	0	0	114.8
846	A	43.3	Very low	40.9	Very low	102 Å²	102	154.6 Å²	154.6	84%	0.843	84%	0.841	S	S	*	*	S	Bend		73.4	43	128.2	0	0	0	0	0	123.5
847	A	46.3	Very low	41	Very low	92 Å²	92	153.2 Å²	153.2	76%	0.76	84%	0.841	S	S	*	*			trans	-133.9	17.7	160.3	0	0	0	0	0	115.6	F849	A847-F849 PolarHBondContact O-N 3.06Å
848	V	48.3	Very low	41.2	Very low	134 Å²	134	155.1 Å²	155.1	81%	0.812	85%	0.847	S	S	*	*			trans	-72.7	26.9	170.4	178.9	0	0	0	0	112.1
849	F	39.6	Very low	41.4	Very low	196 Å²	196	150.4 Å²	150.4	86%	0.86	85%	0.845	S	S	*	*	S	Bend	trans	-134.2	114	174.4	-75.9	-77.9	0	0	0	110.8	A847	A847-F849 PolarHBondContact O-N 3.06Å
850	G	38.3	Very low	41.8	Very low	70 Å²	70	149.9 Å²	149.9	72%	0.722	85%	0.846	S	S	*	*			trans	80.9	87	136.6	0	0	0	0	0	117.3	L852	G850-L852 VanDerWaalsContact C-N 3.29Å; G850-L852 PolarHBondContact O-N 2.92Å
851	S	37.8	Very low	41.7	Very low	126 Å²	126	147.5 Å²	147.5	88%	0.881	85%	0.845	S	S	*	*			trans	-67.4	93.5	134.8	54.8	0	0	0	0	108.6
852	L	39.9	Very low	41.6	Very low	166 Å²	166	144 Å²	144	87%	0.869	84%	0.839	S	S	*	*			trans	-151.2	117.3	161.1	-104.7	153.9	0	0	0	109.5	G850	G850-L852 VanDerWaalsContact C-N 3.29Å; G850-L852 PolarHBondContact O-N 2.92Å
853	K	47.7	Very low	42	Very low	182 Å²	182	140.8 Å²	140.8	79%	0.791	84%	0.837	S	S	*	*			trans	-67.4	150.4	173.8	-72.3	170.7	163.3	-179.4	0	111.1	D855	K853-D855 VanDerWaalsContact C-N 3.29Å; K853-D855 PolarHBondContact O-N 3.11Å
854	E	44.8	Very low	42	Very low	195 Å²	195	143.3 Å²	143.3	91%	0.911	84%	0.842	S	S	*	*			trans	-74.3	93.6	134.4	-75.6	-176.1	155.7	0	0	107.3
855	D	35	Very low	42.2	Very low	218 Å²	218	144.9 Å²	144.9	100%	1.166	85%	0.85	S	S	*	*				169.6	0	127.7	-88.5	-5.5	0	0	0	109.5	K853	K853-D855 VanDerWaalsContact C-N 3.29Å; K853-D855 PolarHBondContact O-N 3.11Å

Retrieved 855 of 855 residues in 294.7 ms (Link to these results)

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