A0A087Y5I7_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087Y5I7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 952 aa.

						>A0A087Y5I7_POEFO|A0A087Y5I7
MAALGPKLSSGGTVKIRFNSMDLGTTKWKEGTFEILEKDNKVSLSLRYSSGGAARTFQLNQNVKSFTQNLNRIMLTLKDNSVITLDKMPAQLVQRTKEYLEKLKQGKSVLKSSHGSANFGVLGNRPMKNENSPSGDRQTTPRRQSADGRDDSTPRKPLSSPSRAASTPTRSGLSENRGEKRKRLLNSEGDLTEDYPKENDSSSNNKATSDPSRKFLLSCKDKLKQTEENRSSAPLGSAPLQPTSFYGSRSGTKDYGQSHSFLDRASGAAQTSTTKRSLMLPNHSTPFKKVRPSLDYGWNKQRPSSLAQPQPPLQGFSNLGNTCYMNAILQSLFSLPSFSNDMLKQSITWKKVPVNALLRRFAHLMVKKDVACPETKKDLLRKVKNAISSTAERFSGNVQNDAHEFLSQCLDQLKDDVEKMNKSLAIDTAASSSSSVTCDNPPEAVATPGDEADTSRIYTCPVAVNMEFEVQHTITCKCCGEVVNKREQFNDLSIDLPRRKKTLPLRSIQDSLDLFFRMEEIEYSCEKCSGKSATVTHKFSKLPRVLILHLKRYSFNAQLSLNSKLGQQVLIPRYLTLLSHCTDGTRPPVSLSWTPQPATSRTLKTSQSINSSTTPQRRVGGKSSSCSSVLLDSDYEDEPTRKVNVSRRRRLSVCLPEEDDRPEEKPAAAAMDSTEFGGINDDEMLAAVLEMSREEAGLPAAAPLEDEPTSSPDTGFGDSDVHDLAYHTELLETDSKQPADVLDSLDLTMDENKENQTPEGVQPQGELDWVQQYNLDQEREEQELQQALAQSLQEHEAQEMREDDDLKRATELSLQEFNNSLPELLGSDDDSGNEDVLDMEYTEAEAETLKRNAEAGELANSYRLISVVSHIGSSSSSGHYISDVYDMKKQSWLTYNDLDVSRTQEAAVQRDRDRSGYIFFYMHKDVFEQLSEVERSGSSSASEAGRNVLQPL
					

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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	35.2	Very low	61.1	Low	244 Å²	244	89.6 Å²	89.6	100%	1.202	59%	0.59	S	S	*	*				0	141.6	0	-55.7	-179.5	-155	0	0	107.4
2	A	35.1	Very low	62.6	Low	98 Å²	98	85.1 Å²	85.1	81%	0.81	57%	0.571	S	S	*	*			trans	-78.2	140.4	170.9	0	0	0	0	0	109.9
3	A	38.5	Very low	64.3	Low	103 Å²	103	84.8 Å²	84.8	85%	0.851	57%	0.565	S	S	*	*			trans	-75.8	130.4	172.6	0	0	0	0	0	109.8	G5	A3-G5 PolarHBondContact O-N 2.79Å
4	L	49	Very low	66.2	Low	138 Å²	138	78.9 Å²	78.9	72%	0.723	53%	0.525	S	S	*	.			trans	-83.5	106.4	175.8	-68.4	171.3	0	0	0	109.4	K38	L4-K38 HydrophobicContact CD1-CG 4.39Å
5	G	49.5	Very low	67.9	Low	59 Å²	59	77.5 Å²	77.5	61%	0.608	51%	0.508	S	S	*	.			trans	-74.6	159.6	170.5	0	0	0	0	0	112.7	A3	A3-G5 PolarHBondContact O-N 2.79Å
6	P	66.9	Low	69.4	Low	59 Å²	59	72.8 Å²	72.8	38%	0.383	48%	0.476	S	S	.	.			trans	-63.1	140.7	173.5	28	-34.7	0	0	0	110.8	L8 E34 L36	P6-L8 VanDerWaalsContact C-N 3.34Å; P6-E34 HydrophobicContact CB-CB 4.38Å; P6-L36 HydrophobicContact CB-CD2 3.78Å
7	K	75.7	Confident	70.6	Confident	123 Å²	123	72.9 Å²	72.9	54%	0.535	47%	0.465	S	S	.	.	S	Bend	trans	-73.2	-29.6	177.7	-87	-158.9	179	-178.2	0	112.9	I35 E37 Y99	K7-I35 PolarHBondContact N-O 2.99Å; K7-I35 VanDerWaalsContact N-O 3.09Å; K7-E37 HydrophobicContact CD-CB 4.04Å; K7-E37 WeakPolarHBondContact CD-OE2 3.46Å; K7-E37 VanDerWaalsContact CE-CD 3.44Å; K7-E37 WeakPolarHBondContact CE-OE1 3.35Å; K7-E37 VanDerWaalsContact CE-OE2 3.28Å; K7-E37 WeakPolarHBondContact CE-OE2 3.41Å; K7-E37 HydrophobicContact CG-CB 4.42Å; K7-E37 IonicContact NZ-OE1 3.3Å; K7-E37 PolarHBondContact NZ-OE1 3.25Å; K7-E37 IonicContact NZ-OE2 2.7Å; K7-E37 PolarHBondContact NZ-OE2 3.07Å; K7-Y99 HydrophobicContact CD-CE2 4.06Å
8	L	82.1	Confident	71.6	Confident	21 Å²	21	69.8 Å²	69.8	11%	0.11	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	126.4	173.1	-170.3	149.9	0	0	0	107.4	P6 F33 I35 L92 R95 T96	P6-L8 VanDerWaalsContact C-N 3.34Å; L8-F33 HydrophobicContact CD2-CE2 3.59Å; L8-F33 HydrophobicContact CD2-CZ 3.95Å; L8-I35 HydrophobicContact CB-CB 4.37Å; L8-I35 HydrophobicContact CD2-CD1 4.29Å; L8-I35 PolarHBondContact O-N 3.42Å; L8-L92 HydrophobicContact CD2-CD1 3.83Å; L8-L92 HydrophobicContact CG-CD1 4.38Å; L8-R95 HydrophobicContact CD1-CB 3.95Å; L8-T96 WeakPolarHBondContact CD2-OG1 3.41Å
9	S	83.8	Confident	72.3	Confident	46 Å²	46	69.3 Å²	69.3	32%	0.322	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.4	176.6	-174.1	0	0	0	0	108.9	G11 E34	S9-G11 VanDerWaalsContact C-N 3.25Å; S9-G11 PolarHBondContact O-N 3.3Å; S9-E34 WeakPolarHBondContact CB-OE1 3.42Å; S9-E34 WeakPolarHBondContact OG-CG 3.32Å; S9-E34 PolarHBondContact OG-OE1 3.05Å
10	S	82.5	Confident	72.8	Confident	11 Å²	11	66.6 Å²	66.6	8%	0.077	42%	0.42	C	S	.	.			trans	-63.7	-25.5	-175.8	43.8	0	0	0	0	114.7	G12 T32 F33	S10-G12 PolarHBondContact O-N 3.35Å; S10-T32 WeakPolarHBondContact OG-CA 3.49Å; S10-T32 VanDerWaalsContact OG-CB 3.31Å; S10-T32 WeakPolarHBondContact OG-CB 3.27Å; S10-F33 WeakPolarHBondContact CB-O 3.32Å; S10-F33 PolarHBondContact N-O 3.06Å; S10-F33 PolarHBondContact OG-N 2.66Å; S10-F33 PolarHBondContact OG-O 3.18Å
11	G	73.6	Confident	72.6	Confident	84 Å²	84	71.3 Å²	71.3	87%	0.866	44%	0.439	S	S	*	.			trans	67.3	-11.6	179.8	0	0	0	0	0	115.8	S9	S9-G11 VanDerWaalsContact C-N 3.25Å; S9-G11 PolarHBondContact O-N 3.3Å
12	G	78.9	Confident	74	Confident	35 Å²	35	66.9 Å²	66.9	36%	0.361	42%	0.42	S	S	.	.	S	Bend	trans	-170.7	175.7	-178.5	0	0	0	0	0	112.1	S10 V14	S10-G12 PolarHBondContact O-N 3.35Å; G12-V14 PolarHBondContact O-N 3.3Å
13	T	85.8	Confident	75.6	Confident	81 Å²	81	67.2 Å²	67.2	50%	0.497	41%	0.408	S	S	.	.			trans	-72.9	124.6	-171.4	-51.5	0	0	0	0	112.8	E30 G31	T13-E30 HydrophobicContact CG2-CB 3.69Å; T13-E30 HydrophobicContact CG2-CG 4.17Å; T13-G31 WeakPolarHBondContact CA-O 2.88Å
14	V	90.4	Very high	77.2	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.012	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	160.9	172.4	-61	0	0	0	0	111.1	G12 I16 E30 G31 F33 M88	G12-V14 PolarHBondContact O-N 3.3Å; V14-I16 HydrophobicContact CG2-CD1 4.22Å; V14-I16 HydrophobicContact CG2-CG1 3.88Å; V14-E30 WeakPolarHBondContact O-CA 3.05Å; V14-G31 VanDerWaalsContact CG2-O 3.31Å; V14-G31 WeakPolarHBondContact CG2-O 3.36Å; V14-G31 PolarHBondContact N-O 2.67Å; V14-G31 PolarHBondContact O-N 3.47Å; V14-F33 HydrophobicContact CG1-CD1 4.4Å; V14-F33 HydrophobicContact CG1-CE1 4.37Å; V14-F33 HydrophobicContact CG2-CD1 3.99Å; V14-M88 HydrophobicContact CB-CG 4.38Å; V14-M88 HydrophobicContact CG1-CG 3.7Å
15	K	91.4	Very high	78.7	Confident	59 Å²	59	61.4 Å²	61.4	26%	0.257	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.7	169.4	-73.8	-162.3	173.9	-155.5	0	110.8	W28 E30 L85 D86 K87	K15-W28 HydrophobicContact CB-CE3 3.87Å; K15-W28 HydrophobicContact CB-CZ3 4.07Å; K15-E30 WeakPolarHBondContact CE-OE1 3.3Å; K15-E30 HydrophobicContact CG-CG 3.87Å; K15-E30 IonicContact NZ-OE1 2.7Å; K15-E30 PolarHBondContact NZ-OE1 3.23Å; K15-L85 CarbonylContact O-C 3.53Å; K15-L85 WeakPolarHBondContact O-CA 3.14Å; K15-D86 HydrophobicContact CB-CB 4.16Å; K15-D86 PolarHBondContact N-O 2.99Å; K15-D86 PolarHBondContact O-N 3.38Å; K15-K87 HydrophobicContact CD-CD 4.29Å; K15-K87 HydrophobicContact CG-CD 4.35Å; K15-K87 HydrophobicContact CG-CG 4.47Å
16	I	92.6	Very high	80.4	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.6	-175.4	-52.8	-177.9	0	0	0	108.7	V14 K29 L46 Y48 T84 L85	V14-I16 HydrophobicContact CG2-CD1 4.22Å; V14-I16 HydrophobicContact CG2-CG1 3.88Å; I16-K29 PolarHBondContact N-O 2.84Å; I16-K29 PolarHBondContact O-N 3.08Å; I16-L46 HydrophobicContact CD1-CB 4.24Å; I16-L46 HydrophobicContact CD1-CD2 4.42Å; I16-L46 HydrophobicContact CG2-CD1 3.84Å; I16-Y48 HydrophobicContact CB-CE1 3.97Å; I16-Y48 HydrophobicContact CD1-CD1 4.38Å; I16-Y48 HydrophobicContact CD1-CE1 4.14Å; I16-Y48 HydrophobicContact CG2-CE1 3.81Å; I16-T84 WeakPolarHBondContact CA-O 3.4Å; I16-L85 HydrophobicContact CB-CD2 4.49Å; I16-L85 HydrophobicContact CD1-CD2 4.4Å; I16-L85 HydrophobicContact CG1-CD2 3.93Å; I16-L85 HydrophobicContact CG2-CD2 4.22Å
17	R	89.9	Confident	81.2	Confident	75 Å²	75	66.5 Å²	66.5	28%	0.283	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135.8	170.2	159	175	-88.5	179	-10.5	109.2	T25 T26 W28 T84	R17-T25 HydrophobicContact CG-CG2 4.36Å; R17-T26 PolarHBondContact NE-O 3.29Å; R17-T26 PolarHBondContact NH2-O 3.42Å; R17-W28 HydrophobicContact CB-CD2 3.85Å; R17-W28 HydrophobicContact CB-CE3 3.4Å; R17-W28 HydrophobicContact CB-CH2 4.25Å; R17-W28 HydrophobicContact CB-CZ3 3.63Å; R17-T84 PolarHBondContact N-O 3.04Å; R17-T84 PolarHBondContact O-N 2.92Å
18	F	88.9	Confident	81.9	Confident	16 Å²	16	65 Å²	65	7%	0.07	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.6	172	-174	-108.6	0	0	0	110.2	L23 T26 F57 S81 V82 I83	F18-L23 HydrophobicContact CD1-CD1 4.36Å; F18-L23 HydrophobicContact CE1-CD1 4.04Å; F18-T26 WeakPolarHBondContact CA-OG1 3.42Å; F18-T26 HydrophobicContact CB-CG2 4.2Å; F18-T26 PolarHBondContact N-OG1 3.11Å; F18-T26 WeakPolarHBondContact O-CB 3.35Å; F18-T26 PolarHBondContact O-N 2.81Å; F18-T26 PolarHBondContact O-OG1 3.41Å; F18-F57 HydrophobicContact CD2-CE1 4.37Å; F18-F57 HydrophobicContact CD2-CZ 4.25Å; F18-F57 AromaticContact CE2-CE1 3.75Å; F18-F57 HydrophobicContact CE2-CE1 3.75Å; F18-F57 HydrophobicContact CE2-CZ 4.07Å; F18-F57 HydrophobicContact CZ-CE1 4.34Å; F18-S81 WeakPolarHBondContact CZ-OG 3.36Å; F18-V82 CarbonylContact C-O 3.56Å; F18-V82 WeakPolarHBondContact CA-O 3.34Å; F18-I83 HydrophobicContact CD2-CG1 3.84Å; F18-I83 HydrophobicContact CE2-CG1 4.1Å
19	N	83.4	Confident	82.2	Confident	60 Å²	60	69 Å²	69	32%	0.321	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131	167.7	-175.1	55.1	0	0	0	109.5	G24 T25 S81 V82	N19-G24 WeakPolarHBondContact CA-O 3.27Å; N19-G24 VanDerWaalsContact OD1-C 3.26Å; N19-G24 PolarHBondContact OD1-O 3.31Å; N19-T25 WeakPolarHBondContact OD1-CA 3.45Å; N19-T25 WeakPolarHBondContact OD1-CB 3.45Å; N19-T25 PolarHBondContact OD1-N 3.07Å; N19-T25 VanDerWaalsContact OD1-N 3.09Å; N19-T25 PolarHBondContact OD1-OG1 2.95Å; N19-S81 CarbonylContact O-C 3.53Å; N19-S81 WeakPolarHBondContact O-CA 3.29Å; N19-V82 HydrophobicContact CB-CB 4.44Å; N19-V82 PolarHBondContact N-O 3.34Å; N19-V82 PolarHBondContact O-N 2.63Å
20	S	83	Confident	82.6	Confident	15 Å²	15	71.4 Å²	71.4	11%	0.105	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	162.3	177.5	-175.5	0	0	0	0	109.6	D22 L23 G24 S81	S20-D22 PolarHBondContact O-N 3.31Å; S20-L23 PolarHBondContact O-N 3.46Å; S20-G24 PolarHBondContact N-O 3.14Å; S20-G24 VanDerWaalsContact O-CA 3.27Å; S20-G24 WeakPolarHBondContact O-CA 3.39Å; S20-G24 PolarHBondContact O-N 3.19Å; S20-S81 VanDerWaalsContact CB-OG 3.24Å; S20-S81 WeakPolarHBondContact CB-OG 3.28Å; S20-S81 PolarHBondContact OG-OG 2.79Å
21	M	68.8	Low	83	Confident	167 Å²	167	70.9 Å²	70.9	82%	0.823	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-43.7	-176.8	-71.4	172.9	58.8	0	0	112.1	L23	M21-L23 VanDerWaalsContact C-N 3.34Å; M21-L23 PolarHBondContact O-N 3.18Å
22	D	65.2	Low	83.8	Confident	151 Å²	151	68.8 Å²	68.8	81%	0.807	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.7	-175.4	-54.2	-36.3	0	0	0	114.3	S20	S20-D22 PolarHBondContact O-N 3.31Å
23	L	67.3	Low	84.4	Confident	105 Å²	105	67.1 Å²	67.1	55%	0.55	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-5.3	-171.8	-65.4	-179.2	0	0	0	114.1	F18 S20 M21	F18-L23 HydrophobicContact CD1-CD1 4.36Å; F18-L23 HydrophobicContact CE1-CD1 4.04Å; S20-L23 PolarHBondContact O-N 3.46Å; M21-L23 VanDerWaalsContact C-N 3.34Å; M21-L23 PolarHBondContact O-N 3.18Å
24	G	71.8	Confident	84.7	Confident	33 Å²	33	65.6 Å²	65.6	34%	0.34	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.4	-164.6	-172.2	0	0	0	0	0	114.1	N19 S20 T26	N19-G24 WeakPolarHBondContact CA-O 3.27Å; N19-G24 VanDerWaalsContact OD1-C 3.26Å; N19-G24 PolarHBondContact OD1-O 3.31Å; S20-G24 PolarHBondContact N-O 3.14Å; S20-G24 VanDerWaalsContact O-CA 3.27Å; S20-G24 WeakPolarHBondContact O-CA 3.39Å; S20-G24 PolarHBondContact O-N 3.19Å; G24-T26 PolarHBondContact O-N 3.09Å
25	T	82.3	Confident	84.6	Confident	85 Å²	85	65.6 Å²	65.6	52%	0.521	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	107.6	175	-54.4	0	0	0	0	110.5	R17 N19	R17-T25 HydrophobicContact CG-CG2 4.36Å; N19-T25 WeakPolarHBondContact OD1-CA 3.45Å; N19-T25 WeakPolarHBondContact OD1-CB 3.45Å; N19-T25 PolarHBondContact OD1-N 3.07Å; N19-T25 VanDerWaalsContact OD1-N 3.09Å; N19-T25 PolarHBondContact OD1-OG1 2.95Å
26	T	84.2	Confident	84.3	Confident	44 Å²	44	65.8 Å²	65.8	27%	0.27	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65.4	152.4	177.8	59.7	0	0	0	0	113	R17 F18 G24	R17-T26 PolarHBondContact NE-O 3.29Å; R17-T26 PolarHBondContact NH2-O 3.42Å; F18-T26 WeakPolarHBondContact CA-OG1 3.42Å; F18-T26 HydrophobicContact CB-CG2 4.2Å; F18-T26 PolarHBondContact N-OG1 3.11Å; F18-T26 WeakPolarHBondContact O-CB 3.35Å; F18-T26 PolarHBondContact O-N 2.81Å; F18-T26 PolarHBondContact O-OG1 3.41Å; G24-T26 PolarHBondContact O-N 3.09Å
27	K	84.9	Confident	83.9	Confident	182 Å²	182	69.2 Å²	69.2	79%	0.791	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-63.4	142.4	167.8	-65.3	-175.5	179.8	-178.6	0	109.6	K29	K27-K29 PolarHBondContact O-N 2.6Å
28	W	88.8	Confident	83.3	Confident	91 Å²	91	71.8 Å²	71.8	35%	0.345	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-54.7	134.6	173.6	-70.1	112.1	0	0	0	111.2	K15 R17 T84 D86	K15-W28 HydrophobicContact CB-CE3 3.87Å; K15-W28 HydrophobicContact CB-CZ3 4.07Å; R17-W28 HydrophobicContact CB-CD2 3.85Å; R17-W28 HydrophobicContact CB-CE3 3.4Å; R17-W28 HydrophobicContact CB-CH2 4.25Å; R17-W28 HydrophobicContact CB-CZ3 3.63Å; W28-T84 HydrophobicContact CH2-CG2 3.47Å; W28-T84 VanDerWaalsContact CH2-CG2 3.47Å; W28-T84 HydrophobicContact CZ3-CG2 3.7Å; W28-D86 HydrophobicContact CH2-CB 3.59Å; W28-D86 WeakPolarHBondContact CH2-OD2 3.41Å; W28-D86 HydrophobicContact CZ3-CB 3.63Å
29	K	89.6	Confident	82.4	Confident	106 Å²	106	77.4 Å²	77.4	46%	0.461	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.5	172.5	-65.2	-171.6	177.7	-170.2	0	109.7	I16 K27 Y48	I16-K29 PolarHBondContact N-O 2.84Å; I16-K29 PolarHBondContact O-N 3.08Å; K27-K29 PolarHBondContact O-N 2.6Å; K29-Y48 HydrophobicContact CB-CD1 3.59Å; K29-Y48 HydrophobicContact CB-CE1 3.97Å; K29-Y48 HydrophobicContact CD-CD1 3.87Å; K29-Y48 HydrophobicContact CD-CE1 4.13Å; K29-Y48 HydrophobicContact CD-CG 4.3Å; K29-Y48 HydrophobicContact CG-CD1 4.38Å
30	E	91.7	Very high	81.7	Confident	95 Å²	95	81.5 Å²	81.5	44%	0.444	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	146.5	172.6	-76.9	170.7	-161.7	0	0	110.3	T13 V14 K15 S49	T13-E30 HydrophobicContact CG2-CB 3.69Å; T13-E30 HydrophobicContact CG2-CG 4.17Å; V14-E30 WeakPolarHBondContact O-CA 3.05Å; K15-E30 WeakPolarHBondContact CE-OE1 3.3Å; K15-E30 HydrophobicContact CG-CG 3.87Å; K15-E30 IonicContact NZ-OE1 2.7Å; K15-E30 PolarHBondContact NZ-OE1 3.23Å; E30-S49 PolarHBondContact O-N 3.33Å; E30-S49 PolarHBondContact O-OG 2.73Å
31	G	90.6	Very high	81.5	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	180	-179.5	-175.5	0	0	0	0	0	113.2	T13 V14 R47 S49	T13-G31 WeakPolarHBondContact CA-O 2.88Å; V14-G31 VanDerWaalsContact CG2-O 3.31Å; V14-G31 WeakPolarHBondContact CG2-O 3.36Å; V14-G31 PolarHBondContact N-O 2.67Å; V14-G31 PolarHBondContact O-N 3.47Å; G31-R47 CarbonylContact C-O 3.59Å; G31-R47 WeakPolarHBondContact CA-O 3.48Å; G31-S49 WeakPolarHBondContact CA-OG 3.32Å; G31-S49 PolarHBondContact N-OG 2.71Å
32	T	90.9	Very high	82.3	Confident	41 Å²	41	79.3 Å²	79.3	25%	0.252	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	155.9	170.3	54.5	0	0	0	0	110.4	S10 R47	S10-T32 WeakPolarHBondContact OG-CA 3.49Å; S10-T32 VanDerWaalsContact OG-CB 3.31Å; S10-T32 WeakPolarHBondContact OG-CB 3.27Å; T32-R47 PolarHBondContact N-O 2.85Å; T32-R47 PolarHBondContact O-N 3.33Å
33	F	91.3	Very high	83.5	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.2	167.6	80.7	-92.3	0	0	0	112	L8 S10 V14 I35 L44 S45 L46 L85 M88 L92 T96	L8-F33 HydrophobicContact CD2-CE2 3.59Å; L8-F33 HydrophobicContact CD2-CZ 3.95Å; S10-F33 WeakPolarHBondContact CB-O 3.32Å; S10-F33 PolarHBondContact N-O 3.06Å; S10-F33 PolarHBondContact OG-N 2.66Å; S10-F33 PolarHBondContact OG-O 3.18Å; V14-F33 HydrophobicContact CG1-CD1 4.4Å; V14-F33 HydrophobicContact CG1-CE1 4.37Å; V14-F33 HydrophobicContact CG2-CD1 3.99Å; F33-I35 HydrophobicContact CD2-CG1 4.34Å; F33-I35 HydrophobicContact CE2-CD1 4.38Å; F33-I35 HydrophobicContact CE2-CG1 4.32Å; F33-L44 HydrophobicContact CB-CD1 4.04Å; F33-L44 HydrophobicContact CD2-CD1 3.62Å; F33-L44 HydrophobicContact CE2-CD1 4.49Å; F33-L44 HydrophobicContact CG-CD1 4.19Å; F33-S45 CarbonylContact C-O 3.55Å; F33-S45 VanDerWaalsContact CA-O 3.28Å; F33-S45 WeakPolarHBondContact CA-O 3.44Å; F33-L46 HydrophobicContact CB-CD2 3.47Å; F33-L46 VanDerWaalsContact CB-CD2 3.47Å; F33-L85 HydrophobicContact CD1-CD1 3.85Å; F33-L85 HydrophobicContact CD2-CD1 4.29Å; F33-L85 HydrophobicContact CE1-CD1 4.05Å; F33-L85 HydrophobicContact CE2-CD1 4.47Å; F33-L85 HydrophobicContact CG-CD1 3.99Å; F33-L85 HydrophobicContact CZ-CD1 4.36Å; F33-M88 HydrophobicContact CE1-CE 3.64Å; F33-M88 HydrophobicContact CE1-CG 4.31Å; F33-M88 HydrophobicContact CE1-SD 3.94Å; F33-M88 HydrophobicContact CZ-CE 3.56Å; F33-M88 HydrophobicContact CZ-SD 4.35Å; F33-L92 HydrophobicContact CE1-CD2 3.91Å; F33-L92 HydrophobicContact CZ-CD2 4.01Å; F33-L92 HydrophobicContact CZ-CG 4.28Å; F33-T96 HydrophobicContact CE2-CG2 4.41Å; F33-T96 HydrophobicContact CZ-CG2 4.46Å
34	E	91.3	Very high	84.5	Confident	48 Å²	48	68.7 Å²	68.7	22%	0.224	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.5	175.4	-48.9	-159.6	102.7	0	0	110.3	P6 S9 L36 S45	P6-E34 HydrophobicContact CB-CB 4.38Å; S9-E34 WeakPolarHBondContact CB-OE1 3.42Å; S9-E34 WeakPolarHBondContact OG-CG 3.32Å; S9-E34 PolarHBondContact OG-OE1 3.05Å; E34-L36 HydrophobicContact CB-CD2 4.46Å; E34-S45 PolarHBondContact N-O 3.16Å; E34-S45 PolarHBondContact O-N 3.38Å
35	I	89.1	Confident	85.4	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.3	174.3	-56.4	-179	0	0	0	108.6	K7 L8 F33 V42 S43 L44 L59 T96 Y99	K7-I35 PolarHBondContact N-O 2.99Å; K7-I35 VanDerWaalsContact N-O 3.09Å; L8-I35 HydrophobicContact CB-CB 4.37Å; L8-I35 HydrophobicContact CD2-CD1 4.29Å; L8-I35 PolarHBondContact O-N 3.42Å; F33-I35 HydrophobicContact CD2-CG1 4.34Å; F33-I35 HydrophobicContact CE2-CD1 4.38Å; F33-I35 HydrophobicContact CE2-CG1 4.32Å; I35-V42 HydrophobicContact CG2-CG1 3.57Å; I35-S43 WeakPolarHBondContact CA-O 3.49Å; I35-L44 HydrophobicContact CG1-CD1 3.91Å; I35-L59 HydrophobicContact CG2-CD1 4.38Å; I35-T96 HydrophobicContact CD1-CG2 4.2Å; I35-Y99 HydrophobicContact CD1-CD1 4.23Å; I35-Y99 HydrophobicContact CG2-CD1 4.2Å; I35-Y99 HydrophobicContact CG2-CE1 3.52Å
36	L	85.9	Confident	85.8	Confident	64 Å²	64	63.8 Å²	63.8	34%	0.335	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.7	-174.6	-57.5	178.4	0	0	0	109.3	P6 E34 V42 S43	P6-L36 HydrophobicContact CB-CD2 3.78Å; E34-L36 HydrophobicContact CB-CD2 4.46Å; L36-V42 WeakPolarHBondContact O-CA 3.31Å; L36-S43 PolarHBondContact N-O 2.87Å; L36-S43 PolarHBondContact O-N 2.82Å; L36-S43 PolarHBondContact O-OG 3.01Å
37	E	83.1	Confident	86	Confident	74 Å²	74	68.6 Å²	68.6	35%	0.346	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.4	174.5	-179.2	177.6	127.6	0	0	109.3	K7 K41 V42 Y99	K7-E37 HydrophobicContact CD-CB 4.04Å; K7-E37 WeakPolarHBondContact CD-OE2 3.46Å; K7-E37 VanDerWaalsContact CE-CD 3.44Å; K7-E37 WeakPolarHBondContact CE-OE1 3.35Å; K7-E37 VanDerWaalsContact CE-OE2 3.28Å; K7-E37 WeakPolarHBondContact CE-OE2 3.41Å; K7-E37 HydrophobicContact CG-CB 4.42Å; K7-E37 IonicContact NZ-OE1 3.3Å; K7-E37 PolarHBondContact NZ-OE1 3.25Å; K7-E37 IonicContact NZ-OE2 2.7Å; K7-E37 PolarHBondContact NZ-OE2 3.07Å; E37-K41 WeakPolarHBondContact CA-O 3.47Å; E37-V42 HydrophobicContact CB-CG2 3.99Å; E37-V42 HydrophobicContact CG-CG2 3.75Å; E37-Y99 PolarHBondContact OE2-OH 2.81Å
38	K	76.9	Confident	86.2	Confident	128 Å²	128	61.5 Å²	61.5	56%	0.557	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148	135.1	178.3	-176.3	-179.7	176	-166.7	0	109.8	L4 N40 K41	L4-K38 HydrophobicContact CD1-CG 4.39Å; K38-N40 VanDerWaalsContact C-N 3.33Å; K38-N40 PolarHBondContact O-N 3.4Å; K38-K41 PolarHBondContact N-O 2.85Å; K38-K41 WeakPolarHBondContact O-CA 3.48Å; K38-K41 WeakPolarHBondContact O-CB 3.41Å; K38-K41 PolarHBondContact O-N 3.33Å; K38-K41 VanDerWaalsContact O-O 3.1Å
39	D	70.8	Confident	86	Confident	135 Å²	135	60.8 Å²	60.8	72%	0.722	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	48	173.2	-47.7	-26.1	0	0	0	113.4	K41	D39-K41 PolarHBondContact O-N 3.14Å; D39-K41 VanDerWaalsContact O-N 3.16Å
40	N	69.6	Low	85.4	Confident	146 Å²	146	60.1 Å²	60.1	78%	0.781	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	18.2	-173.5	-77.6	-2.7	0	0	0	116.2	K38 N60	K38-N40 VanDerWaalsContact C-N 3.33Å; K38-N40 PolarHBondContact O-N 3.4Å; N40-N60 PolarHBondContact O-ND2 2.97Å
41	K	77.3	Confident	84.1	Confident	132 Å²	132	58 Å²	58	57%	0.574	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	124	168.4	-61	-173.9	-179	-173.5	0	110.2	E37 K38 D39	E37-K41 WeakPolarHBondContact CA-O 3.47Å; K38-K41 PolarHBondContact N-O 2.85Å; K38-K41 WeakPolarHBondContact O-CA 3.48Å; K38-K41 WeakPolarHBondContact O-CB 3.41Å; K38-K41 PolarHBondContact O-N 3.33Å; K38-K41 VanDerWaalsContact O-O 3.1Å; D39-K41 PolarHBondContact O-N 3.14Å; D39-K41 VanDerWaalsContact O-N 3.16Å
42	V	86.6	Confident	83.1	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.5	169.8	-171.4	0	0	0	0	110.1	I35 L36 E37 L59 N60 Y99 L103	I35-V42 HydrophobicContact CG2-CG1 3.57Å; L36-V42 WeakPolarHBondContact O-CA 3.31Å; E37-V42 HydrophobicContact CB-CG2 3.99Å; E37-V42 HydrophobicContact CG-CG2 3.75Å; V42-L59 HydrophobicContact CG1-CD1 4.29Å; V42-L59 PolarHBondContact O-N 3.38Å; V42-N60 VanDerWaalsContact CB-OD1 3.26Å; V42-N60 WeakPolarHBondContact CB-OD1 3.35Å; V42-N60 WeakPolarHBondContact CG2-OD1 3.24Å; V42-N60 PolarHBondContact N-ND2 2.77Å; V42-Y99 HydrophobicContact CG1-CE1 3.91Å; V42-Y99 WeakPolarHBondContact CG1-OH 3.34Å; V42-L103 HydrophobicContact CB-CD1 4.35Å; V42-L103 HydrophobicContact CB-CD2 4.47Å; V42-L103 HydrophobicContact CG1-CD1 4.07Å; V42-L103 HydrophobicContact CG2-CD2 3.94Å
43	S	89.1	Confident	82.3	Confident	26 Å²	26	63.7 Å²	63.7	18%	0.182	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145.3	-178.3	60.3	0	0	0	0	112.2	I35 L36 F57	I35-S43 WeakPolarHBondContact CA-O 3.49Å; L36-S43 PolarHBondContact N-O 2.87Å; L36-S43 PolarHBondContact O-N 2.82Å; L36-S43 PolarHBondContact O-OG 3.01Å; S43-F57 CarbonylContact C-O 3.54Å; S43-F57 VanDerWaalsContact CA-O 3.23Å; S43-F57 WeakPolarHBondContact CA-O 3.48Å
44	L	90	Very high	81.8	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.037	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	110.9	173.9	174.5	64	0	0	0	108.6	F33 I35 L46 T56 F57 L59 L75 I83	F33-L44 HydrophobicContact CB-CD1 4.04Å; F33-L44 HydrophobicContact CD2-CD1 3.62Å; F33-L44 HydrophobicContact CE2-CD1 4.49Å; F33-L44 HydrophobicContact CG-CD1 4.19Å; I35-L44 HydrophobicContact CG1-CD1 3.91Å; L44-L46 HydrophobicContact CD1-CD2 3.88Å; L44-L46 HydrophobicContact CD2-CD2 4.09Å; L44-L46 HydrophobicContact CG-CD2 3.73Å; L44-L46 HydrophobicContact CG-CG 4.37Å; L44-T56 CarbonylContact O-C 3.54Å; L44-T56 WeakPolarHBondContact O-CA 3.47Å; L44-F57 PolarHBondContact N-O 3.18Å; L44-F57 PolarHBondContact O-N 2.89Å; L44-L59 HydrophobicContact CB-CD1 4.07Å; L44-L59 HydrophobicContact CB-CD2 3.92Å; L44-L59 HydrophobicContact CB-CG 4Å; L44-L59 HydrophobicContact CD2-CD2 4.48Å; L44-L75 HydrophobicContact CD2-CD2 4.44Å; L44-I83 HydrophobicContact CD2-CD1 4.22Å; L44-I83 HydrophobicContact CD2-CG2 4.42Å
45	S	89.6	Confident	81.5	Confident	13 Å²	13	69.1 Å²	69.1	9%	0.091	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.7	175.5	-176.2	0	0	0	0	110.1	F33 E34	F33-S45 CarbonylContact C-O 3.55Å; F33-S45 VanDerWaalsContact CA-O 3.28Å; F33-S45 WeakPolarHBondContact CA-O 3.44Å; E34-S45 PolarHBondContact N-O 3.16Å; E34-S45 PolarHBondContact O-N 3.38Å
46	L	90.4	Very high	81.4	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.4	178.1	-53.2	-172.9	0	0	0	110.2	I16 F33 L44 A54 R55 F57 I83 L85	I16-L46 HydrophobicContact CD1-CB 4.24Å; I16-L46 HydrophobicContact CD1-CD2 4.42Å; I16-L46 HydrophobicContact CG2-CD1 3.84Å; F33-L46 HydrophobicContact CB-CD2 3.47Å; F33-L46 VanDerWaalsContact CB-CD2 3.47Å; L44-L46 HydrophobicContact CD1-CD2 3.88Å; L44-L46 HydrophobicContact CD2-CD2 4.09Å; L44-L46 HydrophobicContact CG-CD2 3.73Å; L44-L46 HydrophobicContact CG-CG 4.37Å; L46-A54 CarbonylContact O-C 3.5Å; L46-A54 VanDerWaalsContact O-CA 3.26Å; L46-A54 WeakPolarHBondContact O-CA 3.37Å; L46-R55 PolarHBondContact N-O 3.01Å; L46-R55 PolarHBondContact O-N 2.89Å; L46-F57 HydrophobicContact CD1-CD2 4.21Å; L46-F57 HydrophobicContact CD1-CE2 3.7Å; L46-F57 HydrophobicContact CG-CD2 4.33Å; L46-F57 HydrophobicContact CG-CE2 4.15Å; L46-I83 HydrophobicContact CD1-CG2 4.03Å; L46-L85 HydrophobicContact CD2-CD2 4.07Å
47	R	88.6	Confident	81.4	Confident	145 Å²	145	71.8 Å²	71.8	55%	0.547	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.2	-179.6	-176.1	-166.8	-61.2	-107.2	5.3	109.9	G31 T32 A54	G31-R47 CarbonylContact C-O 3.59Å; G31-R47 WeakPolarHBondContact CA-O 3.48Å; T32-R47 PolarHBondContact N-O 2.85Å; T32-R47 PolarHBondContact O-N 3.33Å; R47-A54 HydrophobicContact CB-CB 4.49Å
48	Y	89.8	Confident	81.6	Confident	33 Å²	33	72.9 Å²	72.9	13%	0.129	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.9	-177.9	-56.8	-79	0	0	0	112.1	I16 K29 S50 G51 R55	I16-Y48 HydrophobicContact CB-CE1 3.97Å; I16-Y48 HydrophobicContact CD1-CD1 4.38Å; I16-Y48 HydrophobicContact CD1-CE1 4.14Å; I16-Y48 HydrophobicContact CG2-CE1 3.81Å; K29-Y48 HydrophobicContact CB-CD1 3.59Å; K29-Y48 HydrophobicContact CB-CE1 3.97Å; K29-Y48 HydrophobicContact CD-CD1 3.87Å; K29-Y48 HydrophobicContact CD-CE1 4.13Å; K29-Y48 HydrophobicContact CD-CG 4.3Å; K29-Y48 HydrophobicContact CG-CD1 4.38Å; Y48-S50 PolarHBondContact O-N 2.86Å; Y48-G51 PolarHBondContact O-N 3.5Å; Y48-G51 VanDerWaalsContact O-N 3.09Å; Y48-R55 HydrophobicContact CE2-CG 4.26Å
49	S	84.1	Confident	81.9	Confident	77 Å²	77	67 Å²	67	54%	0.538	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.6	178.9	-53.8	0	0	0	0	113	E30 G31 G51	E30-S49 PolarHBondContact O-N 3.33Å; E30-S49 PolarHBondContact O-OG 2.73Å; G31-S49 WeakPolarHBondContact CA-OG 3.32Å; G31-S49 PolarHBondContact N-OG 2.71Å; S49-G51 PolarHBondContact O-N 2.96Å
50	S	76.7	Confident	82.4	Confident	92 Å²	92	62.5 Å²	62.5	64%	0.643	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-0.1	172.6	63.2	0	0	0	0	114.5	Y48	Y48-S50 PolarHBondContact O-N 2.86Å
51	G	64.1	Low	82.5	Confident	49 Å²	49	64 Å²	64	51%	0.505	37%	0.37	S	S	.	.			trans	75.5	169.5	-168	0	0	0	0	0	113.4	Y48 S49	Y48-G51 PolarHBondContact O-N 3.5Å; Y48-G51 VanDerWaalsContact O-N 3.09Å; S49-G51 PolarHBondContact O-N 2.96Å
52	G	70.4	Confident	82.7	Confident	69 Å²	69	60 Å²	60	71%	0.711	36%	0.355	S	S	*	.			trans	119.3	169.7	-175.7	0	0	0	0	0	113
53	A	73.9	Confident	82.6	Confident	92 Å²	92	61 Å²	61	76%	0.76	36%	0.361	S	S	*	.			trans	-64.1	139.4	175.1	0	0	0	0	0	111.2
54	A	81.2	Confident	82.3	Confident	43 Å²	43	64.5 Å²	64.5	36%	0.355	37%	0.373	S	S	.	.			trans	-66.8	135.3	175.3	0	0	0	0	0	110.5	L46 R47	L46-A54 CarbonylContact O-C 3.5Å; L46-A54 VanDerWaalsContact O-CA 3.26Å; L46-A54 WeakPolarHBondContact O-CA 3.37Å; R47-A54 HydrophobicContact CB-CB 4.49Å
55	R	84.4	Confident	82	Confident	120 Å²	120	66.5 Å²	66.5	45%	0.453	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.6	176.5	-75.3	-168.8	171	-151.6	-4.9	109.7	L46 Y48 F57	L46-R55 PolarHBondContact N-O 3.01Å; L46-R55 PolarHBondContact O-N 2.89Å; Y48-R55 HydrophobicContact CE2-CG 4.26Å; R55-F57 HydrophobicContact CB-CE2 3.82Å; R55-F57 HydrophobicContact CB-CZ 4.3Å
56	T	87.4	Confident	81.9	Confident	86 Å²	86	67.4 Å²	67.4	53%	0.528	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.4	-178.6	-56.2	0	0	0	0	110.8	L44	L44-T56 CarbonylContact O-C 3.54Å; L44-T56 WeakPolarHBondContact O-CA 3.47Å
57	F	85.6	Confident	81.6	Confident	35 Å²	35	71 Å²	71	15%	0.154	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.1	177.2	-59.8	-94.1	0	0	0	109.4	F18 S43 L44 L46 R55 L59 L77 I83	F18-F57 HydrophobicContact CD2-CE1 4.37Å; F18-F57 HydrophobicContact CD2-CZ 4.25Å; F18-F57 AromaticContact CE2-CE1 3.75Å; F18-F57 HydrophobicContact CE2-CE1 3.75Å; F18-F57 HydrophobicContact CE2-CZ 4.07Å; F18-F57 HydrophobicContact CZ-CE1 4.34Å; S43-F57 CarbonylContact C-O 3.54Å; S43-F57 VanDerWaalsContact CA-O 3.23Å; S43-F57 WeakPolarHBondContact CA-O 3.48Å; L44-F57 PolarHBondContact N-O 3.18Å; L44-F57 PolarHBondContact O-N 2.89Å; L46-F57 HydrophobicContact CD1-CD2 4.21Å; L46-F57 HydrophobicContact CD1-CE2 3.7Å; L46-F57 HydrophobicContact CG-CD2 4.33Å; L46-F57 HydrophobicContact CG-CE2 4.15Å; R55-F57 HydrophobicContact CB-CE2 3.82Å; R55-F57 HydrophobicContact CB-CZ 4.3Å; F57-L59 PolarHBondContact O-N 2.74Å; F57-L77 HydrophobicContact CB-CD1 4.5Å; F57-L77 HydrophobicContact CD1-CD1 3.92Å; F57-I83 HydrophobicContact CB-CD1 4.15Å; F57-I83 HydrophobicContact CD1-CD1 3.79Å; F57-I83 HydrophobicContact CD2-CD1 3.69Å; F57-I83 HydrophobicContact CE1-CD1 4.03Å; F57-I83 HydrophobicContact CE2-CD1 3.96Å; F57-I83 HydrophobicContact CG-CD1 3.6Å; F57-I83 HydrophobicContact CZ-CD1 4.11Å; F57-I83 HydrophobicContact CZ-CG1 4.48Å
58	Q	86.8	Confident	81.4	Confident	97 Å²	97	67.2 Å²	67.2	45%	0.453	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.5	173.2	-171.7	175.2	-64.9	0	0	109.4	N62	Q58-N62 WeakPolarHBondContact O-CB 3.19Å; Q58-N62 PolarHBondContact O-ND2 2.91Å
59	L	83.9	Confident	80.9	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.021	42%	0.419	C	S	.	.			trans	-92.3	-36.6	-179.7	-63.5	-176.3	0	0	0	112.4	I35 V42 L44 F57 Q61 N62 V63 L75 L100 L103	I35-L59 HydrophobicContact CG2-CD1 4.38Å; V42-L59 HydrophobicContact CG1-CD1 4.29Å; V42-L59 PolarHBondContact O-N 3.38Å; L44-L59 HydrophobicContact CB-CD1 4.07Å; L44-L59 HydrophobicContact CB-CD2 3.92Å; L44-L59 HydrophobicContact CB-CG 4Å; L44-L59 HydrophobicContact CD2-CD2 4.48Å; F57-L59 PolarHBondContact O-N 2.74Å; L59-Q61 PolarHBondContact O-N 2.89Å; L59-Q61 VanDerWaalsContact O-N 3.16Å; L59-N62 PolarHBondContact O-N 3.06Å; L59-V63 HydrophobicContact CB-CG2 4.2Å; L59-V63 HydrophobicContact CD2-CG2 3.96Å; L59-V63 PolarHBondContact O-N 3.04Å; L59-L75 HydrophobicContact CD2-CD1 4.45Å; L59-L75 HydrophobicContact CD2-CD2 3.7Å; L59-L100 HydrophobicContact CD1-CD2 3.94Å; L59-L103 HydrophobicContact CB-CD1 4.22Å; L59-L103 HydrophobicContact CD1-CD1 4.2Å
60	N	80.6	Confident	80.4	Confident	42 Å²	42	73.9 Å²	73.9	23%	0.225	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	122.2	-175.4	-81	5.4	0	0	0	111.4	N40 V42 N62	N40-N60 PolarHBondContact O-ND2 2.97Å; V42-N60 VanDerWaalsContact CB-OD1 3.26Å; V42-N60 WeakPolarHBondContact CB-OD1 3.35Å; V42-N60 WeakPolarHBondContact CG2-OD1 3.24Å; V42-N60 PolarHBondContact N-ND2 2.77Å; N60-N62 PolarHBondContact O-N 3.34Å; N60-N62 VanDerWaalsContact O-N 3.13Å
61	Q	72.6	Confident	80.9	Confident	177 Å²	177	73.7 Å²	73.7	83%	0.827	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	8.2	-176.5	-56.9	179.3	-7.8	0	0	115.9	L59 K78	L59-Q61 PolarHBondContact O-N 2.89Å; L59-Q61 VanDerWaalsContact O-N 3.16Å; Q61-K78 WeakPolarHBondContact O-CD 3.32Å; Q61-K78 WeakPolarHBondContact O-CE 3.33Å; Q61-K78 PolarHBondContact O-NZ 2.88Å
62	N	82	Confident	82	Confident	49 Å²	49	74.7 Å²	74.7	26%	0.262	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-12.7	-172.5	-166	29.4	0	0	0	114.4	Q58 L59 N60 K64 L77 K78	Q58-N62 WeakPolarHBondContact O-CB 3.19Å; Q58-N62 PolarHBondContact O-ND2 2.91Å; L59-N62 PolarHBondContact O-N 3.06Å; N60-N62 PolarHBondContact O-N 3.34Å; N60-N62 VanDerWaalsContact O-N 3.13Å; N62-K64 PolarHBondContact O-N 3.19Å; N62-L77 CarbonylContact O-C 3.43Å; N62-L77 VanDerWaalsContact O-CA 3.29Å; N62-L77 WeakPolarHBondContact O-CA 3.26Å; N62-K78 PolarHBondContact O-N 3.06Å
63	V	84.4	Confident	83.1	Confident	24 Å²	24	71.6 Å²	71.6	15%	0.145	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.9	171.7	-176.7	0	0	0	0	109.5	L59 F66 L75 L77	L59-V63 HydrophobicContact CB-CG2 4.2Å; L59-V63 HydrophobicContact CD2-CG2 3.96Å; L59-V63 PolarHBondContact O-N 3.04Å; V63-F66 HydrophobicContact CG1-CD1 4.33Å; V63-L75 HydrophobicContact CG1-CD1 3.8Å; V63-L75 HydrophobicContact CG1-CG 4.24Å; V63-L75 HydrophobicContact CG2-CD1 3.85Å; V63-L75 HydrophobicContact CG2-CD2 4.38Å; V63-L75 HydrophobicContact CG2-CG 4.35Å; V63-L77 HydrophobicContact CG2-CD2 4.41Å
64	K	82.3	Confident	83.8	Confident	99 Å²	99	69.9 Å²	69.9	43%	0.43	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-53.2	175.8	-177.6	169.6	176.6	171.5	0	110	N62 T76 K78 N80	N62-K64 PolarHBondContact O-N 3.19Å; K64-T76 HydrophobicContact CB-CG2 4.47Å; K64-T76 WeakPolarHBondContact CB-O 3.26Å; K64-T76 PolarHBondContact N-O 3.46Å; K64-K78 HydrophobicContact CB-CG 4.21Å; K64-N80 PolarHBondContact NZ-OD1 3.12Å
65	S	83.9	Confident	84.3	Confident	48 Å²	48	68.1 Å²	68.1	34%	0.336	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	166.1	173.6	61.9	0	0	0	0	110.9	T76	S65-T76 PolarHBondContact N-O 3.17Å; S65-T76 PolarHBondContact O-N 3.27Å; S65-T76 VanDerWaalsContact O-O 3.1Å; S65-T76 WeakPolarHBondContact OG-CB 3.48Å
66	F	86.6	Confident	84.5	Confident	33 Å²	33	63.8 Å²	63.8	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.5	165.4	70.1	-94.4	0	0	0	109.7	V63 M74 L75 K97 L100 E101	V63-F66 HydrophobicContact CG1-CD1 4.33Å; F66-M74 CarbonylContact C-O 3.52Å; F66-M74 WeakPolarHBondContact CA-O 3.28Å; F66-M74 VanDerWaalsContact CB-O 3.26Å; F66-M74 WeakPolarHBondContact CB-O 3.46Å; F66-L75 HydrophobicContact CB-CD1 4.22Å; F66-K97 HydrophobicContact CE2-CB 4.03Å; F66-K97 HydrophobicContact CE2-CD 4.44Å; F66-K97 HydrophobicContact CE2-CG 3.82Å; F66-K97 HydrophobicContact CZ-CG 4.18Å; F66-L100 HydrophobicContact CD1-CB 3.83Å; F66-L100 HydrophobicContact CD1-CD1 4.36Å; F66-L100 HydrophobicContact CD2-CD1 4.32Å; F66-L100 HydrophobicContact CE1-CB 3.49Å; F66-L100 VanDerWaalsContact CE1-CB 3.49Å; F66-L100 HydrophobicContact CE2-CB 4.36Å; F66-L100 HydrophobicContact CG-CB 4.4Å; F66-L100 HydrophobicContact CG-CD1 4.17Å; F66-L100 HydrophobicContact CZ-CB 3.79Å; F66-E101 HydrophobicContact CE1-CG 4.48Å; F66-E101 HydrophobicContact CZ-CB 4.36Å; F66-E101 HydrophobicContact CZ-CG 3.94Å
67	T	83.9	Confident	84.6	Confident	77 Å²	77	59.9 Å²	59.9	47%	0.472	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.5	176.7	57	0	0	0	0	110.4	I73 M74	T67-I73 WeakPolarHBondContact O-CA 3.27Å; T67-M74 PolarHBondContact N-O 3.26Å; T67-M74 PolarHBondContact O-N 3.18Å
68	Q	84.1	Confident	84.5	Confident	65 Å²	65	64.2 Å²	64.2	30%	0.304	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.5	-176.7	162.7	173.4	-27.7	0	0	110.1	R72 V93	Q68-R72 WeakPolarHBondContact CA-O 3.36Å; Q68-V93 HydrophobicContact CG-CG1 3.51Å
69	N	80.6	Confident	84.3	Confident	101 Å²	101	63.9 Å²	63.9	54%	0.54	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	166.8	162.1	-59	6.9	0	0	0	108	N71 R72	N69-N71 VanDerWaalsContact C-N 3.28Å; N69-N71 PolarHBondContact O-N 2.66Å; N69-R72 HydrophobicContact CB-CB 4.41Å; N69-R72 PolarHBondContact N-O 2.85Å; N69-R72 PolarHBondContact O-N 3.08Å
70	L	73.8	Confident	84.2	Confident	150 Å²	150	67.8 Å²	67.8	79%	0.785	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.7	-47.8	-171.3	-67.6	170.1	0	0	0	115.6
71	N	86.4	Confident	84.5	Confident	88 Å²	88	65.8 Å²	65.8	47%	0.471	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	18.1	-179.1	-64.8	-20.3	0	0	0	113.8	N69 K87 M88	N69-N71 VanDerWaalsContact C-N 3.28Å; N69-N71 PolarHBondContact O-N 2.66Å; N71-K87 PolarHBondContact O-N 2.78Å; N71-K87 VanDerWaalsContact O-N 3.11Å; N71-M88 VanDerWaalsContact CA-O 3.28Å; N71-M88 WeakPolarHBondContact CA-O 3.14Å; N71-M88 WeakPolarHBondContact CB-O 3.36Å; N71-M88 PolarHBondContact O-N 3.35Å
72	R	88.3	Confident	85.3	Confident	70 Å²	70	58.5 Å²	58.5	26%	0.264	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	136.9	-169.6	-179.1	-179.8	172.7	-177.6	0	112.9	Q68 N69 M74 T84 L85 D86	Q68-R72 WeakPolarHBondContact CA-O 3.36Å; N69-R72 HydrophobicContact CB-CB 4.41Å; N69-R72 PolarHBondContact N-O 2.85Å; N69-R72 PolarHBondContact O-N 3.08Å; R72-M74 PolarHBondContact NH2-SD 2.98Å; R72-T84 HydrophobicContact CG-CG2 4.14Å; R72-T84 PolarHBondContact NH2-OG1 2.87Å; R72-L85 CarbonylContact C-O 3.54Å; R72-L85 VanDerWaalsContact CA-O 3.29Å; R72-L85 WeakPolarHBondContact CA-O 3.47Å; R72-L85 WeakPolarHBondContact CG-O 3.41Å; R72-D86 HydrophobicContact CB-CB 4.45Å; R72-D86 HydrophobicContact CG-CB 4.07Å
73	I	91.8	Very high	85.8	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.3	167.3	-62.6	-176.7	0	0	0	109.5	T67 L85 M88 V93 T96 L100	T67-I73 WeakPolarHBondContact O-CA 3.27Å; I73-L85 PolarHBondContact N-O 3.26Å; I73-L85 PolarHBondContact O-N 2.88Å; I73-L85 VanDerWaalsContact O-O 3.1Å; I73-M88 HydrophobicContact CB-SD 4.32Å; I73-M88 HydrophobicContact CD1-CE 3.91Å; I73-M88 HydrophobicContact CD1-SD 4.28Å; I73-M88 HydrophobicContact CG1-CE 4.38Å; I73-M88 HydrophobicContact CG1-SD 4.16Å; I73-V93 HydrophobicContact CD1-CG1 4.14Å; I73-V93 HydrophobicContact CG1-CG1 3.88Å; I73-T96 HydrophobicContact CD1-CG2 3.61Å; I73-L100 HydrophobicContact CG2-CD1 4.45Å
74	M	90.1	Very high	86.2	Confident	56 Å²	56	55.4 Å²	55.4	28%	0.276	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.6	165	-61.6	177.7	57.8	0	0	108.5	F66 T67 R72 V82 I83 T84	F66-M74 CarbonylContact C-O 3.52Å; F66-M74 WeakPolarHBondContact CA-O 3.28Å; F66-M74 VanDerWaalsContact CB-O 3.26Å; F66-M74 WeakPolarHBondContact CB-O 3.46Å; T67-M74 PolarHBondContact N-O 3.26Å; T67-M74 PolarHBondContact O-N 3.18Å; R72-M74 PolarHBondContact NH2-SD 2.98Å; M74-V82 HydrophobicContact CB-CG1 4.39Å; M74-V82 HydrophobicContact CE-CG1 3.76Å; M74-I83 CarbonylContact C-O 3.52Å; M74-I83 WeakPolarHBondContact CA-O 3.41Å; M74-T84 HydrophobicContact CG-CG2 4.3Å
75	L	91.2	Very high	86.7	Confident	6 Å²	6	51 Å²	51	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.5	179.1	-175.9	106.9	0	0	0	108.6	L44 L59 V63 F66 L77 V82 I83 L100	L44-L75 HydrophobicContact CD2-CD2 4.44Å; L59-L75 HydrophobicContact CD2-CD1 4.45Å; L59-L75 HydrophobicContact CD2-CD2 3.7Å; V63-L75 HydrophobicContact CG1-CD1 3.8Å; V63-L75 HydrophobicContact CG1-CG 4.24Å; V63-L75 HydrophobicContact CG2-CD1 3.85Å; V63-L75 HydrophobicContact CG2-CD2 4.38Å; V63-L75 HydrophobicContact CG2-CG 4.35Å; F66-L75 HydrophobicContact CB-CD1 4.22Å; L75-L77 HydrophobicContact CD2-CD2 3.67Å; L75-L77 HydrophobicContact CD2-CG 4.22Å; L75-V82 WeakPolarHBondContact O-CA 3.48Å; L75-I83 HydrophobicContact CB-CB 4.41Å; L75-I83 HydrophobicContact CD2-CD1 4.11Å; L75-I83 PolarHBondContact N-O 3.45Å; L75-I83 PolarHBondContact O-N 2.87Å; L75-L100 HydrophobicContact CD1-CD1 3.67Å; L75-L100 HydrophobicContact CD1-CD2 3.59Å; L75-L100 HydrophobicContact CD1-CG 4.26Å
76	T	88.5	Confident	87	Confident	29 Å²	29	50.7 Å²	50.7	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.3	176.2	-54.5	0	0	0	0	108.8	K64 S65 V82	K64-T76 HydrophobicContact CB-CG2 4.47Å; K64-T76 WeakPolarHBondContact CB-O 3.26Å; K64-T76 PolarHBondContact N-O 3.46Å; S65-T76 PolarHBondContact N-O 3.17Å; S65-T76 PolarHBondContact O-N 3.27Å; S65-T76 VanDerWaalsContact O-O 3.1Å; S65-T76 WeakPolarHBondContact OG-CB 3.48Å; T76-V82 HydrophobicContact CG2-CG2 4.2Å
77	L	88.5	Confident	87.1	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	169	175.2	-64.5	178.5	0	0	0	110.9	F57 N62 V63 L75 D79 N80 S81 I83	F57-L77 HydrophobicContact CB-CD1 4.5Å; F57-L77 HydrophobicContact CD1-CD1 3.92Å; N62-L77 CarbonylContact O-C 3.43Å; N62-L77 VanDerWaalsContact O-CA 3.29Å; N62-L77 WeakPolarHBondContact O-CA 3.26Å; V63-L77 HydrophobicContact CG2-CD2 4.41Å; L75-L77 HydrophobicContact CD2-CD2 3.67Å; L75-L77 HydrophobicContact CD2-CG 4.22Å; L77-D79 VanDerWaalsContact C-N 3.3Å; L77-D79 WeakPolarHBondContact CB-OD1 3.45Å; L77-D79 PolarHBondContact O-N 3.32Å; L77-N80 PolarHBondContact O-N 3.09Å; L77-N80 VanDerWaalsContact O-N 3.14Å; L77-S81 PolarHBondContact N-O 2.87Å; L77-I83 HydrophobicContact CD1-CD1 4.02Å
78	K	84.4	Confident	87.3	Confident	127 Å²	127	52.2 Å²	52.2	55%	0.552	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.8	-176.1	-81.4	-176.1	171.4	174.4	0	114.6	Q61 N62 K64 N80	Q61-K78 WeakPolarHBondContact O-CD 3.32Å; Q61-K78 WeakPolarHBondContact O-CE 3.33Å; Q61-K78 PolarHBondContact O-NZ 2.88Å; N62-K78 PolarHBondContact O-N 3.06Å; K64-K78 HydrophobicContact CB-CG 4.21Å; K78-N80 PolarHBondContact O-N 3.42Å
79	D	83.6	Confident	87.5	Confident	90 Å²	90	52.9 Å²	52.9	48%	0.481	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	13.1	170.3	67.1	-24	0	0	0	113.3	L77 S81	L77-D79 VanDerWaalsContact C-N 3.3Å; L77-D79 WeakPolarHBondContact CB-OD1 3.45Å; L77-D79 PolarHBondContact O-N 3.32Å; D79-S81 PolarHBondContact O-N 3.12Å; D79-S81 VanDerWaalsContact O-N 3.09Å; D79-S81 WeakPolarHBondContact OD1-CB 3.46Å; D79-S81 PolarHBondContact OD1-N 3.26Å; D79-S81 PolarHBondContact OD1-OG 3.4Å; D79-S81 WeakPolarHBondContact OD2-CB 3.32Å; D79-S81 PolarHBondContact OD2-OG 3.26Å
80	N	80.6	Confident	87.6	Confident	85 Å²	85	50.8 Å²	50.8	46%	0.455	27%	0.266	S	S	.	.	S	Bend	trans	58.5	10.6	-170.6	-60.3	-39.1	0	0	0	114.7	K64 L77 K78 V82	K64-N80 PolarHBondContact NZ-OD1 3.12Å; L77-N80 PolarHBondContact O-N 3.09Å; L77-N80 VanDerWaalsContact O-N 3.14Å; K78-N80 PolarHBondContact O-N 3.42Å; N80-V82 PolarHBondContact O-N 2.76Å
81	S	86.6	Confident	88	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.007	26%	0.262	C	S	.	.			trans	-71	128.5	173.3	-68	0	0	0	0	111	F18 N19 S20 L77 D79	F18-S81 WeakPolarHBondContact CZ-OG 3.36Å; N19-S81 CarbonylContact O-C 3.53Å; N19-S81 WeakPolarHBondContact O-CA 3.29Å; S20-S81 VanDerWaalsContact CB-OG 3.24Å; S20-S81 WeakPolarHBondContact CB-OG 3.28Å; S20-S81 PolarHBondContact OG-OG 2.79Å; L77-S81 PolarHBondContact N-O 2.87Å; D79-S81 PolarHBondContact O-N 3.12Å; D79-S81 VanDerWaalsContact O-N 3.09Å; D79-S81 WeakPolarHBondContact OD1-CB 3.46Å; D79-S81 PolarHBondContact OD1-N 3.26Å; D79-S81 PolarHBondContact OD1-OG 3.4Å; D79-S81 WeakPolarHBondContact OD2-CB 3.32Å; D79-S81 PolarHBondContact OD2-OG 3.26Å
82	V	89.6	Confident	88	Confident	24 Å²	24	47.6 Å²	47.6	15%	0.145	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.6	-179	-174.2	0	0	0	0	110.5	F18 N19 M74 L75 T76 N80	F18-V82 CarbonylContact C-O 3.56Å; F18-V82 WeakPolarHBondContact CA-O 3.34Å; N19-V82 HydrophobicContact CB-CB 4.44Å; N19-V82 PolarHBondContact N-O 3.34Å; N19-V82 PolarHBondContact O-N 2.63Å; M74-V82 HydrophobicContact CB-CG1 4.39Å; M74-V82 HydrophobicContact CE-CG1 3.76Å; L75-V82 WeakPolarHBondContact O-CA 3.48Å; T76-V82 HydrophobicContact CG2-CG2 4.2Å; N80-V82 PolarHBondContact O-N 2.76Å
83	I	92.1	Very high	87.9	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.8	168.9	-60.4	168.5	0	0	0	108	F18 L44 L46 F57 M74 L75 L77 L85	F18-I83 HydrophobicContact CD2-CG1 3.84Å; F18-I83 HydrophobicContact CE2-CG1 4.1Å; L44-I83 HydrophobicContact CD2-CD1 4.22Å; L44-I83 HydrophobicContact CD2-CG2 4.42Å; L46-I83 HydrophobicContact CD1-CG2 4.03Å; F57-I83 HydrophobicContact CB-CD1 4.15Å; F57-I83 HydrophobicContact CD1-CD1 3.79Å; F57-I83 HydrophobicContact CD2-CD1 3.69Å; F57-I83 HydrophobicContact CE1-CD1 4.03Å; F57-I83 HydrophobicContact CE2-CD1 3.96Å; F57-I83 HydrophobicContact CG-CD1 3.6Å; F57-I83 HydrophobicContact CZ-CD1 4.11Å; F57-I83 HydrophobicContact CZ-CG1 4.48Å; M74-I83 CarbonylContact C-O 3.52Å; M74-I83 WeakPolarHBondContact CA-O 3.41Å; L75-I83 HydrophobicContact CB-CB 4.41Å; L75-I83 HydrophobicContact CD2-CD1 4.11Å; L75-I83 PolarHBondContact N-O 3.45Å; L75-I83 PolarHBondContact O-N 2.87Å; L77-I83 HydrophobicContact CD1-CD1 4.02Å; I83-L85 HydrophobicContact CG2-CD2 4.2Å; I83-L85 HydrophobicContact CG2-CG 4.32Å
84	T	92.8	Very high	87.6	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.5	168.9	-65.7	0	0	0	0	110.3	I16 R17 W28 R72 M74 D86	I16-T84 WeakPolarHBondContact CA-O 3.4Å; R17-T84 PolarHBondContact N-O 3.04Å; R17-T84 PolarHBondContact O-N 2.92Å; W28-T84 HydrophobicContact CH2-CG2 3.47Å; W28-T84 VanDerWaalsContact CH2-CG2 3.47Å; W28-T84 HydrophobicContact CZ3-CG2 3.7Å; R72-T84 HydrophobicContact CG-CG2 4.14Å; R72-T84 PolarHBondContact NH2-OG1 2.87Å; M74-T84 HydrophobicContact CG-CG2 4.3Å; T84-D86 HydrophobicContact CG2-CB 4.28Å
85	L	92.9	Very high	87.4	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.1	167.8	-55.3	176.5	0	0	0	108	K15 I16 F33 L46 R72 I73 I83 M88	K15-L85 CarbonylContact O-C 3.53Å; K15-L85 WeakPolarHBondContact O-CA 3.14Å; I16-L85 HydrophobicContact CB-CD2 4.49Å; I16-L85 HydrophobicContact CD1-CD2 4.4Å; I16-L85 HydrophobicContact CG1-CD2 3.93Å; I16-L85 HydrophobicContact CG2-CD2 4.22Å; F33-L85 HydrophobicContact CD1-CD1 3.85Å; F33-L85 HydrophobicContact CD2-CD1 4.29Å; F33-L85 HydrophobicContact CE1-CD1 4.05Å; F33-L85 HydrophobicContact CE2-CD1 4.47Å; F33-L85 HydrophobicContact CG-CD1 3.99Å; F33-L85 HydrophobicContact CZ-CD1 4.36Å; L46-L85 HydrophobicContact CD2-CD2 4.07Å; R72-L85 CarbonylContact C-O 3.54Å; R72-L85 VanDerWaalsContact CA-O 3.29Å; R72-L85 WeakPolarHBondContact CA-O 3.47Å; R72-L85 WeakPolarHBondContact CG-O 3.41Å; I73-L85 PolarHBondContact N-O 3.26Å; I73-L85 PolarHBondContact O-N 2.88Å; I73-L85 VanDerWaalsContact O-O 3.1Å; I83-L85 HydrophobicContact CG2-CD2 4.2Å; I83-L85 HydrophobicContact CG2-CG 4.32Å; L85-M88 HydrophobicContact CB-CG 4.34Å; L85-M88 HydrophobicContact CB-SD 3.54Å; L85-M88 VanDerWaalsContact CB-SD 3.54Å; L85-M88 HydrophobicContact CD1-SD 4.29Å
86	D	90.1	Very high	87.3	Confident	41 Å²	41	52.5 Å²	52.5	22%	0.219	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.7	-169.6	-172.7	20.6	0	0	0	110.6	K15 W28 R72 T84 M88	K15-D86 HydrophobicContact CB-CB 4.16Å; K15-D86 PolarHBondContact N-O 2.99Å; K15-D86 PolarHBondContact O-N 3.38Å; W28-D86 HydrophobicContact CH2-CB 3.59Å; W28-D86 WeakPolarHBondContact CH2-OD2 3.41Å; W28-D86 HydrophobicContact CZ3-CB 3.63Å; R72-D86 HydrophobicContact CB-CB 4.45Å; R72-D86 HydrophobicContact CG-CB 4.07Å; T84-D86 HydrophobicContact CG2-CB 4.28Å; D86-M88 PolarHBondContact O-N 2.82Å
87	K	89.3	Confident	87.2	Confident	141 Å²	141	54.2 Å²	54.2	61%	0.613	27%	0.268	S	S	*	.	S	Bend	trans	54.6	29.9	-164.5	-63.4	-164.9	165.1	-161.2	0	114.2	K15 N71	K15-K87 HydrophobicContact CD-CD 4.29Å; K15-K87 HydrophobicContact CG-CD 4.35Å; K15-K87 HydrophobicContact CG-CG 4.47Å; N71-K87 PolarHBondContact O-N 2.78Å; N71-K87 VanDerWaalsContact O-N 3.11Å
88	M	88.9	Confident	87	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	28%	0.283	C	S	.	.			trans	-76.2	139.2	172.6	-71.6	178.3	60.9	0	0	110.9	V14 F33 N71 I73 L85 D86 L92 V93	V14-M88 HydrophobicContact CB-CG 4.38Å; V14-M88 HydrophobicContact CG1-CG 3.7Å; F33-M88 HydrophobicContact CE1-CE 3.64Å; F33-M88 HydrophobicContact CE1-CG 4.31Å; F33-M88 HydrophobicContact CE1-SD 3.94Å; F33-M88 HydrophobicContact CZ-CE 3.56Å; F33-M88 HydrophobicContact CZ-SD 4.35Å; N71-M88 VanDerWaalsContact CA-O 3.28Å; N71-M88 WeakPolarHBondContact CA-O 3.14Å; N71-M88 WeakPolarHBondContact CB-O 3.36Å; N71-M88 PolarHBondContact O-N 3.35Å; I73-M88 HydrophobicContact CB-SD 4.32Å; I73-M88 HydrophobicContact CD1-CE 3.91Å; I73-M88 HydrophobicContact CD1-SD 4.28Å; I73-M88 HydrophobicContact CG1-CE 4.38Å; I73-M88 HydrophobicContact CG1-SD 4.16Å; L85-M88 HydrophobicContact CB-CG 4.34Å; L85-M88 HydrophobicContact CB-SD 3.54Å; L85-M88 VanDerWaalsContact CB-SD 3.54Å; L85-M88 HydrophobicContact CD1-SD 4.29Å; D86-M88 PolarHBondContact O-N 2.82Å; M88-L92 HydrophobicContact CE-CD2 3.88Å; M88-L92 HydrophobicContact CE-CG 3.89Å; M88-V93 HydrophobicContact CB-CG2 3.35Å; M88-V93 HydrophobicContact CE-CG2 4.06Å; M88-V93 HydrophobicContact CG-CG2 4.43Å; M88-V93 HydrophobicContact SD-CG2 4.39Å
89	P	87.6	Confident	87.1	Confident	79 Å²	79	53 Å²	53	51%	0.513	26%	0.263	S	S	.	.			trans	-62.2	136.7	171.1	-23	33.7	0	0	0	111.9	Q91 L92 V93	P89-Q91 VanDerWaalsContact C-N 3.29Å; P89-Q91 PolarHBondContact O-N 3Å; P89-Q91 VanDerWaalsContact O-N 3.12Å; P89-L92 HydrophobicContact CB-CB 4.42Å; P89-L92 WeakPolarHBondContact O-CA 3.34Å; P89-L92 WeakPolarHBondContact O-CB 3.42Å; P89-L92 PolarHBondContact O-N 2.85Å; P89-V93 PolarHBondContact O-N 2.82Å
90	A	82	Confident	87.2	Confident	57 Å²	57	49.1 Å²	49.1	47%	0.471	24%	0.242	S	C	.	.	H	α-helix	trans	-53.2	-38.3	-173.4	0	0	0	0	0	114.6	L92 V93 Q94	A90-L92 VanDerWaalsContact C-N 3.34Å; A90-L92 PolarHBondContact O-N 3.02Å; A90-V93 WeakPolarHBondContact O-CB 3.37Å; A90-V93 PolarHBondContact O-N 2.96Å; A90-Q94 PolarHBondContact O-N 2.85Å
91	Q	82.4	Confident	87.4	Confident	149 Å²	149	48.2 Å²	48.2	70%	0.696	24%	0.235	S	C	*	.	H	α-helix	trans	-64.9	-35.2	174.9	-65.7	-172.2	2.9	0	0	113.2	P89 R95	P89-Q91 VanDerWaalsContact C-N 3.29Å; P89-Q91 PolarHBondContact O-N 3Å; P89-Q91 VanDerWaalsContact O-N 3.12Å; Q91-R95 VanDerWaalsContact O-CG 3.32Å; Q91-R95 WeakPolarHBondContact O-CG 3.36Å; Q91-R95 PolarHBondContact O-N 2.91Å
92	L	87.4	Confident	87.2	Confident	22 Å²	22	54.7 Å²	54.7	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-72.7	-40.6	175.7	-178.9	74.1	0	0	0	110.6	L8 F33 M88 P89 A90 R95 T96	L8-L92 HydrophobicContact CD2-CD1 3.83Å; L8-L92 HydrophobicContact CG-CD1 4.38Å; F33-L92 HydrophobicContact CE1-CD2 3.91Å; F33-L92 HydrophobicContact CZ-CD2 4.01Å; F33-L92 HydrophobicContact CZ-CG 4.28Å; M88-L92 HydrophobicContact CE-CD2 3.88Å; M88-L92 HydrophobicContact CE-CG 3.89Å; P89-L92 HydrophobicContact CB-CB 4.42Å; P89-L92 WeakPolarHBondContact O-CA 3.34Å; P89-L92 WeakPolarHBondContact O-CB 3.42Å; P89-L92 PolarHBondContact O-N 2.85Å; A90-L92 VanDerWaalsContact C-N 3.34Å; A90-L92 PolarHBondContact O-N 3.02Å; L92-R95 PolarHBondContact O-N 2.67Å; L92-T96 VanDerWaalsContact O-CB 3.32Å; L92-T96 WeakPolarHBondContact O-CB 3.25Å; L92-T96 PolarHBondContact O-N 3.32Å; L92-T96 PolarHBondContact O-OG1 2.58Å
93	V	86.2	Confident	86.7	Confident	1 Å²	1	56 Å²	56	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-54.1	-55.1	173.9	174.9	0	0	0	0	109.8	Q68 I73 M88 P89 A90 R95 T96 K97	Q68-V93 HydrophobicContact CG-CG1 3.51Å; I73-V93 HydrophobicContact CD1-CG1 4.14Å; I73-V93 HydrophobicContact CG1-CG1 3.88Å; M88-V93 HydrophobicContact CB-CG2 3.35Å; M88-V93 HydrophobicContact CE-CG2 4.06Å; M88-V93 HydrophobicContact CG-CG2 4.43Å; M88-V93 HydrophobicContact SD-CG2 4.39Å; P89-V93 PolarHBondContact O-N 2.82Å; A90-V93 WeakPolarHBondContact O-CB 3.37Å; A90-V93 PolarHBondContact O-N 2.96Å; V93-R95 PolarHBondContact O-N 2.83Å; V93-T96 WeakPolarHBondContact O-CB 3.36Å; V93-T96 PolarHBondContact O-N 3.38Å; V93-T96 VanDerWaalsContact O-N 3.1Å; V93-K97 PolarHBondContact O-N 3.42Å
94	Q	84.9	Confident	85.8	Confident	75 Å²	75	62.2 Å²	62.2	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-59.4	-47.9	-178.8	-178.1	56.5	28.4	0	0	112.8	A90 T96 K97 E98	A90-Q94 PolarHBondContact O-N 2.85Å; Q94-T96 VanDerWaalsContact C-N 3.26Å; Q94-T96 PolarHBondContact O-N 2.95Å; Q94-K97 PolarHBondContact O-N 2.88Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.49Å; Q94-E98 PolarHBondContact NE2-OE1 3.21Å; Q94-E98 WeakPolarHBondContact O-CG 3.42Å; Q94-E98 PolarHBondContact O-N 2.78Å
95	R	86.7	Confident	84.6	Confident	158 Å²	158	68.9 Å²	68.9	60%	0.596	33%	0.327	S	S	*	.	H	α-helix	trans	-60.3	-35.1	175.5	-72.3	175.3	-177.2	174.4	4.4	112.9	L8 Q91 L92 V93 Y99	L8-R95 HydrophobicContact CD1-CB 3.95Å; Q91-R95 VanDerWaalsContact O-CG 3.32Å; Q91-R95 WeakPolarHBondContact O-CG 3.36Å; Q91-R95 PolarHBondContact O-N 2.91Å; L92-R95 PolarHBondContact O-N 2.67Å; V93-R95 PolarHBondContact O-N 2.83Å; R95-Y99 WeakPolarHBondContact O-CB 3.4Å; R95-Y99 PolarHBondContact O-N 2.87Å
96	T	87.7	Confident	83.1	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-72	-42.5	178.7	-54.1	0	0	0	0	110.9	L8 F33 I35 I73 L92 V93 Q94 Y99 L100	L8-T96 WeakPolarHBondContact CD2-OG1 3.41Å; F33-T96 HydrophobicContact CE2-CG2 4.41Å; F33-T96 HydrophobicContact CZ-CG2 4.46Å; I35-T96 HydrophobicContact CD1-CG2 4.2Å; I73-T96 HydrophobicContact CD1-CG2 3.61Å; L92-T96 VanDerWaalsContact O-CB 3.32Å; L92-T96 WeakPolarHBondContact O-CB 3.25Å; L92-T96 PolarHBondContact O-N 3.32Å; L92-T96 PolarHBondContact O-OG1 2.58Å; V93-T96 WeakPolarHBondContact O-CB 3.36Å; V93-T96 PolarHBondContact O-N 3.38Å; V93-T96 VanDerWaalsContact O-N 3.1Å; Q94-T96 VanDerWaalsContact C-N 3.26Å; Q94-T96 PolarHBondContact O-N 2.95Å; T96-Y99 PolarHBondContact O-N 3.29Å; T96-L100 HydrophobicContact CG2-CD1 4.1Å; T96-L100 VanDerWaalsContact O-CG 3.3Å; T96-L100 WeakPolarHBondContact O-CG 3.36Å; T96-L100 PolarHBondContact O-N 3.12Å
97	K	87.1	Confident	80.5	Confident	65 Å²	65	79 Å²	79	28%	0.283	39%	0.388	S	S	.	.	H	α-helix	trans	-55.7	-54.6	171.2	158.1	170.4	-174.9	-169.9	0	111.4	F66 V93 Q94 Y99 L100 E101	F66-K97 HydrophobicContact CE2-CB 4.03Å; F66-K97 HydrophobicContact CE2-CD 4.44Å; F66-K97 HydrophobicContact CE2-CG 3.82Å; F66-K97 HydrophobicContact CZ-CG 4.18Å; V93-K97 PolarHBondContact O-N 3.42Å; Q94-K97 PolarHBondContact O-N 2.88Å; K97-Y99 PolarHBondContact O-N 3.33Å; K97-L100 CarbonylContact O-C 3.58Å; K97-L100 PolarHBondContact O-N 3.08Å; K97-E101 VanDerWaalsContact CE-CD 3.45Å; K97-E101 WeakPolarHBondContact CE-OE1 3.13Å; K97-E101 WeakPolarHBondContact CE-OE2 3.34Å; K97-E101 IonicContact NZ-OE1 2.69Å; K97-E101 PolarHBondContact O-N 3.17Å
98	E	85	Confident	77.8	Confident	71 Å²	71	77 Å²	77	33%	0.332	39%	0.392	S	S	.	.	H	α-helix	trans	-58.7	-35	-177	-73.6	173.3	-148.5	0	0	112.6	Q94 K102	Q94-E98 WeakPolarHBondContact CG-OE1 3.49Å; Q94-E98 PolarHBondContact NE2-OE1 3.21Å; Q94-E98 WeakPolarHBondContact O-CG 3.42Å; Q94-E98 PolarHBondContact O-N 2.78Å; E98-K102 WeakPolarHBondContact O-CB 3.48Å; E98-K102 WeakPolarHBondContact O-CD 3.4Å; E98-K102 WeakPolarHBondContact O-CG 3.21Å; E98-K102 PolarHBondContact O-N 3.45Å; E98-K102 IonicContact OE2-NZ 2.65Å
99	Y	85.9	Confident	75.1	Confident	36 Å²	36	83.4 Å²	83.4	14%	0.141	43%	0.431	C	S	.	.	H	α-helix	trans	-71	-43.2	175.8	-172.2	-92.4	0	0	0	111.6	K7 I35 E37 V42 R95 T96 K97 E101 K102 L103	K7-Y99 HydrophobicContact CD-CE2 4.06Å; I35-Y99 HydrophobicContact CD1-CD1 4.23Å; I35-Y99 HydrophobicContact CG2-CD1 4.2Å; I35-Y99 HydrophobicContact CG2-CE1 3.52Å; E37-Y99 PolarHBondContact OE2-OH 2.81Å; V42-Y99 HydrophobicContact CG1-CE1 3.91Å; V42-Y99 WeakPolarHBondContact CG1-OH 3.34Å; R95-Y99 WeakPolarHBondContact O-CB 3.4Å; R95-Y99 PolarHBondContact O-N 2.87Å; T96-Y99 PolarHBondContact O-N 3.29Å; K97-Y99 PolarHBondContact O-N 3.33Å; Y99-E101 PolarHBondContact O-N 3.05Å; Y99-K102 PolarHBondContact O-N 3Å; Y99-L103 HydrophobicContact CD1-CD1 4.09Å; Y99-L103 HydrophobicContact CD1-CG 4.4Å; Y99-L103 HydrophobicContact CE1-CD1 3.73Å; Y99-L103 HydrophobicContact CE1-CD2 4.47Å; Y99-L103 HydrophobicContact CE1-CG 4.14Å; Y99-L103 WeakPolarHBondContact O-CG 3.38Å; Y99-L103 PolarHBondContact O-N 3.37Å
100	L	85.6	Confident	72.5	Confident	8 Å²	8	86.5 Å²	86.5	4%	0.042	44%	0.442	C	S	.	.	H	α-helix	trans	-65	-35.7	174.5	-68.6	170.2	0	0	0	112.8	L59 F66 I73 L75 T96 K97 L103 K104	L59-L100 HydrophobicContact CD1-CD2 3.94Å; F66-L100 HydrophobicContact CD1-CB 3.83Å; F66-L100 HydrophobicContact CD1-CD1 4.36Å; F66-L100 HydrophobicContact CD2-CD1 4.32Å; F66-L100 HydrophobicContact CE1-CB 3.49Å; F66-L100 VanDerWaalsContact CE1-CB 3.49Å; F66-L100 HydrophobicContact CE2-CB 4.36Å; F66-L100 HydrophobicContact CG-CB 4.4Å; F66-L100 HydrophobicContact CG-CD1 4.17Å; F66-L100 HydrophobicContact CZ-CB 3.79Å; I73-L100 HydrophobicContact CG2-CD1 4.45Å; L75-L100 HydrophobicContact CD1-CD1 3.67Å; L75-L100 HydrophobicContact CD1-CD2 3.59Å; L75-L100 HydrophobicContact CD1-CG 4.26Å; T96-L100 HydrophobicContact CG2-CD1 4.1Å; T96-L100 VanDerWaalsContact O-CG 3.3Å; T96-L100 WeakPolarHBondContact O-CG 3.36Å; T96-L100 PolarHBondContact O-N 3.12Å; K97-L100 CarbonylContact O-C 3.58Å; K97-L100 PolarHBondContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 3.31Å; L100-K104 PolarHBondContact O-N 3.31Å
101	E	84.6	Confident	69.9	Low	66 Å²	66	93.2 Å²	93.2	31%	0.308	46%	0.461	S	S	.	.	H	α-helix	trans	-63.3	-46.6	172.1	-110.6	148.5	-152.1	0	0	111.4	F66 K97 Y99 L103 K104 Q105	F66-E101 HydrophobicContact CE1-CG 4.48Å; F66-E101 HydrophobicContact CZ-CB 4.36Å; F66-E101 HydrophobicContact CZ-CG 3.94Å; K97-E101 VanDerWaalsContact CE-CD 3.45Å; K97-E101 WeakPolarHBondContact CE-OE1 3.13Å; K97-E101 WeakPolarHBondContact CE-OE2 3.34Å; K97-E101 IonicContact NZ-OE1 2.69Å; K97-E101 PolarHBondContact O-N 3.17Å; Y99-E101 PolarHBondContact O-N 3.05Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 3.03Å; E101-K104 PolarHBondContact O-N 2.92Å; E101-K104 VanDerWaalsContact O-N 3.08Å; E101-Q105 WeakPolarHBondContact O-CB 3.1Å; E101-Q105 VanDerWaalsContact O-CG 3.32Å; E101-Q105 WeakPolarHBondContact O-CG 3.47Å; E101-Q105 PolarHBondContact O-N 3.41Å
102	K	82.1	Confident	67.4	Low	136 Å²	136	90.3 Å²	90.3	59%	0.591	46%	0.457	S	S	*	.	H	α-helix	trans	-60.8	-33.4	175	-72.7	159.5	-169.3	156	0	112.2	E98 Y99	E98-K102 WeakPolarHBondContact O-CB 3.48Å; E98-K102 WeakPolarHBondContact O-CD 3.4Å; E98-K102 WeakPolarHBondContact O-CG 3.21Å; E98-K102 PolarHBondContact O-N 3.45Å; E98-K102 IonicContact OE2-NZ 2.65Å; Y99-K102 PolarHBondContact O-N 3Å
103	L	78.8	Confident	64.5	Low	53 Å²	53	94.7 Å²	94.7	28%	0.277	49%	0.49	S	S	.	.	H	α-helix	trans	-71.9	-38.3	171.5	-66.1	-179.9	0	0	0	113.3	V42 L59 Y99 L100 E101	V42-L103 HydrophobicContact CB-CD1 4.35Å; V42-L103 HydrophobicContact CB-CD2 4.47Å; V42-L103 HydrophobicContact CG1-CD1 4.07Å; V42-L103 HydrophobicContact CG2-CD2 3.94Å; L59-L103 HydrophobicContact CB-CD1 4.22Å; L59-L103 HydrophobicContact CD1-CD1 4.2Å; Y99-L103 HydrophobicContact CD1-CD1 4.09Å; Y99-L103 HydrophobicContact CD1-CG 4.4Å; Y99-L103 HydrophobicContact CE1-CD1 3.73Å; Y99-L103 HydrophobicContact CE1-CD2 4.47Å; Y99-L103 HydrophobicContact CE1-CG 4.14Å; Y99-L103 WeakPolarHBondContact O-CG 3.38Å; Y99-L103 PolarHBondContact O-N 3.37Å; L100-L103 PolarHBondContact O-N 3.31Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 3.03Å
104	K	73.9	Confident	61.7	Low	131 Å²	131	103.5 Å²	103.5	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-72.4	-33.3	179.9	-165.5	179.6	-178.8	-175.2	0	112.5	L100 E101 G106	L100-K104 PolarHBondContact O-N 3.31Å; E101-K104 PolarHBondContact O-N 2.92Å; E101-K104 VanDerWaalsContact O-N 3.08Å; K104-G106 VanDerWaalsContact C-N 3.3Å; K104-G106 PolarHBondContact O-N 3.04Å
105	Q	67.1	Low	58.8	Low	145 Å²	145	103.1 Å²	103.1	68%	0.678	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-8.3	-175.8	-73	177.8	10.8	0	0	115.2	E101 K107	E101-Q105 WeakPolarHBondContact O-CB 3.1Å; E101-Q105 VanDerWaalsContact O-CG 3.32Å; E101-Q105 WeakPolarHBondContact O-CG 3.47Å; E101-Q105 PolarHBondContact O-N 3.41Å; Q105-K107 VanDerWaalsContact C-N 3.25Å; Q105-K107 PolarHBondContact O-N 3.38Å
106	G	61	Low	56.1	Low	68 Å²	68	101.3 Å²	101.3	70%	0.701	56%	0.558	S	S	*	*			trans	65	8.5	158.6	0	0	0	0	0	118.4	K104	K104-G106 VanDerWaalsContact C-N 3.3Å; K104-G106 PolarHBondContact O-N 3.04Å
107	K	35.6	Very low	53.1	Low	195 Å²	195	105 Å²	105	85%	0.848	59%	0.588	S	S	*	*			trans	-79.3	126.7	173.2	-75.4	-176.5	177.8	175.9	0	110.8	Q105 V109	Q105-K107 VanDerWaalsContact C-N 3.25Å; Q105-K107 PolarHBondContact O-N 3.38Å; K107-V109 PolarHBondContact O-N 3.2Å
108	S	34.4	Very low	50.2	Low	99 Å²	99	109 Å²	109	69%	0.692	61%	0.613	S	S	*	*			trans	-61.4	121.8	171.6	53.3	0	0	0	0	110.6	L110	S108-L110 PolarHBondContact O-N 2.96Å
109	V	30.5	Very low	47.3	Very low	134 Å²	134	114.9 Å²	114.9	81%	0.812	64%	0.638	S	S	*	*			trans	-74.9	78.2	168.4	-176	0	0	0	0	108.9	K107 K111	K107-V109 PolarHBondContact O-N 3.2Å; V109-K111 PolarHBondContact O-N 3.42Å; V109-K111 VanDerWaalsContact O-N 3.09Å
110	L	32.7	Very low	44.4	Very low	144 Å²	144	116.9 Å²	116.9	75%	0.754	67%	0.67	S	S	*	*			trans	-58.2	106.8	156.1	-93.1	161.5	0	0	0	107.5	S108 S112	S108-L110 PolarHBondContact O-N 2.96Å; L110-S112 PolarHBondContact O-N 2.69Å
111	K	28.7	Very low	41.6	Very low	198 Å²	198	122.2 Å²	122.2	86%	0.861	70%	0.702	S	S	*	*			trans	-72.7	81.1	165.4	-87.9	-167.3	170.5	-172.7	0	109.4	V109 S113	V109-K111 PolarHBondContact O-N 3.42Å; V109-K111 VanDerWaalsContact O-N 3.09Å; K111-S113 PolarHBondContact O-N 3.09Å
112	S	28.8	Very low	38.9	Very low	89 Å²	89	127.3 Å²	127.3	62%	0.622	73%	0.73	S	S	*	*			trans	-78.9	92.9	162.9	54.1	0	0	0	0	109.7	L110 H114	L110-S112 PolarHBondContact O-N 2.69Å; S112-H114 PolarHBondContact O-N 3.41Å
113	S	26.5	Very low	36.2	Very low	114 Å²	114	123.6 Å²	123.6	80%	0.797	73%	0.731	S	S	*	*			trans	-75	112.8	160.6	52.1	0	0	0	0	108.9	K111	K111-S113 PolarHBondContact O-N 3.09Å
114	H	28.1	Very low	33.7	Very low	185 Å²	185	129.4 Å²	129.4	86%	0.856	76%	0.762	S	S	*	*			trans	-69.4	154.3	170.8	-82	-97.8	0	0	0	111.5	S112	S112-H114 PolarHBondContact O-N 3.41Å
115	G	24.5	Very low	31.4	Very low	67 Å²	67	134.4 Å²	134.4	69%	0.691	78%	0.778	S	S	*	*			trans	120.4	71.2	-169.8	0	0	0	0	0	110.1
116	S	29	Very low	30.1	Very low	120 Å²	120	132.9 Å²	132.9	84%	0.839	78%	0.78	S	S	*	*				73.7	124.9	53.7	-159.6	0	0	0	0	114
117	A	25.9	Very low	28.4	Very low	80 Å²	80	137.5 Å²	137.5	66%	0.661	79%	0.786	S	S	*	*			trans	61.3	109.3	163.7	0	0	0	0	0	119.9
118	N	26.2	Very low	28	Very low	150 Å²	150	135.8 Å²	135.8	80%	0.802	78%	0.778	S	S	*	*				50.5	119	126.4	-54.1	-9.6	0	0	0	119.9
119	F	23.6	Very low	27.6	Very low	195 Å²	195	137.4 Å²	137.4	86%	0.855	78%	0.779	S	S	*	*				-147.9	123	104.1	-121.1	-80	0	0	0	111.5	V121	F119-V121 HydrophobicContact CD1-CG2 3.72Å; F119-V121 HydrophobicContact CE1-CG2 3.64Å
120	G	25.1	Very low	27.5	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	77%	0.768	S	S	*	*			trans	-137	122.4	168.1	0	0	0	0	0	107.7
121	V	25.9	Very low	27.1	Very low	120 Å²	120	136.9 Å²	136.9	73%	0.727	77%	0.769	S	S	*	*			trans	-116	143.4	-176.9	160.8	0	0	0	0	110.7	F119	F119-V121 HydrophobicContact CD1-CG2 3.72Å; F119-V121 HydrophobicContact CE1-CG2 3.64Å
122	L	28.4	Very low	27	Very low	172 Å²	172	131.8 Å²	131.8	90%	0.901	76%	0.758	S	S	*	*			trans	-51.2	141.2	176.3	-56.2	157	0	0	0	111.2
123	G	25.5	Very low	27.9	Very low	59 Å²	59	132.3 Å²	132.3	61%	0.608	76%	0.759	S	S	*	*			cis	138.4	172	-2.6	0	0	0	0	0	111.5
124	N	26.9	Very low	27.9	Very low	174 Å²	174	132.7 Å²	132.7	93%	0.93	76%	0.762	S	S	*	*			trans	-171.6	148.4	132.4	-96.2	-29.5	0	0	0	112.6
125	R	25.1	Very low	27.9	Very low	236 Å²	236	127.1 Å²	127.1	89%	0.891	75%	0.754	S	S	*	*			trans	-85.5	168.5	166	-88.7	-177.4	176.7	-171.2	0.1	108.7
126	P	39.8	Very low	28.1	Very low	113 Å²	113	131.5 Å²	131.5	73%	0.734	76%	0.762	S	S	*	*			cis	-149.4	173	31.4	43.5	-23.4	0	0	0	120.5
127	M	26	Very low	28.2	Very low	165 Å²	165	135.6 Å²	135.6	81%	0.813	76%	0.759	S	S	*	*			trans	82.9	131	143.3	-91.3	-171.8	-178.1	0	0	122.9
128	K	26	Very low	28.3	Very low	159 Å²	159	138.6 Å²	138.6	69%	0.691	76%	0.759	S	S	*	*			trans	70	118.5	147.4	-75.7	-165.6	173.6	-160	0	117.8
129	N	26.6	Very low	28.4	Very low	134 Å²	134	136.7 Å²	136.7	72%	0.717	75%	0.754	S	S	*	*			cis	62	106.3	34	-142.5	61.2	0	0	0	109.1
130	E	27.5	Very low	28.6	Very low	123 Å²	123	133.2 Å²	133.2	58%	0.575	75%	0.749	S	S	*	*				-172.8	163.7	76.9	-80.5	105.5	-137.7	0	0	106.9
131	N	25.7	Very low	29.6	Very low	143 Å²	143	134.9 Å²	134.9	77%	0.765	75%	0.745	S	S	*	*			cis	-151.4	-143.1	9.4	-148.1	-52.2	0	0	0	112.6
132	S	27.1	Very low	29.7	Very low	92 Å²	92	138.5 Å²	138.5	64%	0.643	75%	0.746	S	S	*	*			trans	-150.4	-148.5	-176.2	61.7	0	0	0	0	106.9
133	P	47.4	Very low	29.8	Very low	99 Å²	99	138.9 Å²	138.9	64%	0.643	74%	0.735	S	S	*	*			cis	-134.5	-176.7	-33.4	35	-16.1	0	0	0	114.2
134	S	26.5	Very low	29.9	Very low	122 Å²	122	143.9 Å²	143.9	85%	0.853	74%	0.743	S	S	*	*			trans	61.7	158.1	148.5	59.6	0	0	0	0	121.3
135	G	26.7	Very low	29.9	Very low	68 Å²	68	140.6 Å²	140.6	70%	0.701	73%	0.733	S	S	*	*			cis	157.9	140.5	-9.3	0	0	0	0	0	113.3
136	D	29.3	Very low	30.2	Very low	159 Å²	159	133.3 Å²	133.3	85%	0.85	72%	0.724	S	S	*	*			trans	56.8	151.5	172	-68.1	-17.8	0	0	0	118.4
137	R	30.3	Very low	29.7	Very low	207 Å²	207	136 Å²	136	78%	0.781	73%	0.732	S	S	*	*			cis	-173.4	156.9	39.1	-143.1	172.8	-171.3	-152.5	10.1	113.4
138	Q	29.6	Very low	29.7	Very low	142 Å²	142	131.1 Å²	131.1	66%	0.664	72%	0.724	S	S	*	*			trans	73.6	134.9	144.8	-90.5	171.9	-64.8	0	0	126.5
139	T	27.6	Very low	29.9	Very low	111 Å²	111	134.9 Å²	134.9	68%	0.681	73%	0.734	S	S	*	*			trans	71.4	106.3	140.9	49.8	0	0	0	0	125.6
140	T	27.8	Very low	30	Very low	122 Å²	122	135.4 Å²	135.4	75%	0.748	74%	0.736	S	S	*	*				24.9	158.1	113.6	55.8	0	0	0	0	122.9
141	P	45.8	Very low	30	Very low	113 Å²	113	136.5 Å²	136.5	73%	0.734	75%	0.746	S	S	*	*			cis	-148.1	-179.5	-23.3	38.1	-16.9	0	0	0	118.3
142	R	28.9	Very low	30.2	Very low	195 Å²	195	134.7 Å²	134.7	74%	0.736	75%	0.745	S	S	*	*			trans	98.2	137.7	133.1	-129.8	-163.2	178.3	169.2	1.8	123.6
143	R	29.1	Very low	30.3	Very low	180 Å²	180	136.7 Å²	136.7	68%	0.679	75%	0.753	S	S	*	*			trans	69.4	140.3	158.9	-77.7	177.6	167.2	169.6	-6.8	117.7
144	Q	27.6	Very low	30.1	Very low	165 Å²	165	136.9 Å²	136.9	77%	0.771	76%	0.755	S	S	*	*			cis	72.3	140.9	42.3	-65.7	-179.7	-32.5	0	0	114.1
145	S	28.1	Very low	30.3	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	76%	0.756	S	S	*	*			cis	-173	175.3	-10	-93.2	0	0	0	0	110.1
146	A	31	Very low	30.4	Very low	83 Å²	83	148.6 Å²	148.6	69%	0.686	76%	0.764	S	S	*	*			trans	96.3	139.6	147.5	0	0	0	0	0	121.3
147	D	28.3	Very low	31.2	Very low	170 Å²	170	145.9 Å²	145.9	91%	0.909	76%	0.756	S	S	*	*			trans	50.6	146.8	152.2	-51.2	-29.8	0	0	0	122.2
148	G	26.8	Very low	31	Very low	62 Å²	62	143.8 Å²	143.8	64%	0.639	76%	0.759	S	S	*	*			cis	157.4	142.1	-9.2	0	0	0	0	0	114
149	R	30.1	Very low	30.7	Very low	237 Å²	237	142.8 Å²	142.8	89%	0.894	77%	0.768	S	S	*	*			trans	68.4	166.9	176.4	-44.3	-172	-174.9	-175.2	1	114.5
150	D	29.2	Very low	30.8	Very low	145 Å²	145	142.7 Å²	142.7	78%	0.775	77%	0.771	S	S	*	*			cis	-144.3	-176.6	11.7	-127.8	-38.5	0	0	0	114
151	D	27.9	Very low	31.9	Very low	147 Å²	147	142.2 Å²	142.2	79%	0.786	77%	0.771	S	S	*	*			trans	-70.5	175.3	-164.2	-166.4	19	0	0	0	119.2
152	S	29.2	Very low	31.1	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	77%	0.774	S	S	*	*			trans	108.7	126.9	148.9	76.7	0	0	0	0	120.8
153	T	29.5	Very low	31.3	Very low	133 Å²	133	144.7 Å²	144.7	82%	0.816	78%	0.783	S	S	*	*			trans	-96.9	168.8	168.7	75.9	0	0	0	0	109.9
154	P	42.6	Very low	31.1	Very low	104 Å²	104	140.6 Å²	140.6	68%	0.675	79%	0.788	S	S	*	*				-163.9	-173.9	76.3	44.8	-22.6	0	0	0	118.8
155	R	30.5	Very low	31.1	Very low	235 Å²	235	137.3 Å²	137.3	89%	0.887	79%	0.788	S	S	*	*			trans	85.5	99.4	154.7	-67	173.8	-169.2	-175.1	3.6	122.2
156	K	28.9	Very low	31.1	Very low	200 Å²	200	136.9 Å²	136.9	87%	0.87	79%	0.785	S	S	*	*				-19.8	168.1	127.5	-76.8	-179.8	-179.3	179.7	0	117.8
157	P	46.2	Very low	31	Very low	103 Å²	103	139.1 Å²	139.1	67%	0.669	79%	0.791	S	S	*	*			cis	-146.5	177.2	-23.9	39.5	-20.1	0	0	0	117.2
158	L	26.9	Very low	32	Very low	163 Å²	163	136.1 Å²	136.1	85%	0.853	78%	0.78	S	S	*	*			trans	47.9	117.1	142.1	-72.5	164	0	0	0	122.7
159	S	23.8	Very low	32	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	79%	0.789	S	S	*	*				-169.3	147.1	122	56.6	0	0	0	0	113.7
160	S	29.4	Very low	32.2	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	79%	0.788	S	S	*	*			trans	-101.2	-161.1	173.2	-43.1	0	0	0	0	110.1
161	P	51.1	Low	32.3	Very low	113 Å²	113	137 Å²	137	73%	0.734	78%	0.784	S	S	*	*			cis	-140.2	-173.6	-8.7	38.1	-17.4	0	0	0	116.1
162	S	28.3	Very low	32.4	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	78%	0.778	S	S	*	*			trans	118.9	160.2	144.5	-50.3	0	0	0	0	118.3
163	R	31.8	Very low	32.6	Very low	245 Å²	245	135.5 Å²	135.5	93%	0.925	78%	0.782	S	S	*	*				-178.2	105.6	-51.9	-178.2	-178.2	-163.5	-161.6	6.1	112.1
164	A	26.8	Very low	32.6	Very low	94 Å²	94	134.1 Å²	134.1	78%	0.777	78%	0.777	S	S	*	*			trans	-169.2	145.1	162.7	0	0	0	0	0	108.4
165	A	27.6	Very low	32.1	Very low	95 Å²	95	136.4 Å²	136.4	79%	0.785	78%	0.779	S	S	*	*			cis	78.1	129.2	39	0	0	0	0	0	113.9
166	S	27.3	Very low	32.1	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	77%	0.767	S	S	*	*			cis	-174.1	139.8	-0.4	47.7	0	0	0	0	115.5
167	T	28.7	Very low	32.2	Very low	131 Å²	131	132.8 Å²	132.8	80%	0.804	77%	0.769	S	S	*	*			trans	64.5	-179.9	142.6	58.3	0	0	0	0	120.7
168	P	49.8	Very low	31.2	Very low	106 Å²	106	131.6 Å²	131.6	69%	0.688	78%	0.776	S	S	*	*				-140.3	173.6	-56	39.9	-24.2	0	0	0	116.3
169	T	27.4	Very low	31.3	Very low	132 Å²	132	131.5 Å²	131.5	81%	0.81	77%	0.771	S	S	*	*			trans	177.8	134.2	135.4	22.3	0	0	0	0	109.2
170	R	32.3	Very low	31.6	Very low	233 Å²	233	133.2 Å²	133.2	88%	0.879	76%	0.763	S	S	*	*				84.2	132.9	58.7	-170.2	179.1	-178	-155.4	-0.1	112
171	S	31.7	Very low	31.6	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	77%	0.766	S	S	*	*			cis	-148.7	170.6	7.5	25.8	0	0	0	0	110.4
172	G	30.5	Very low	30.5	Very low	65 Å²	65	140.6 Å²	140.6	67%	0.67	76%	0.764	S	S	*	*			cis	99.9	146.2	17.9	0	0	0	0	0	111.8
173	L	32.8	Very low	30.5	Very low	155 Å²	155	145.3 Å²	145.3	81%	0.812	76%	0.764	S	S	*	*			cis	-108.6	-125.6	13.9	-56.3	173.9	0	0	0	112
174	S	29.4	Very low	30.2	Very low	103 Å²	103	140.2 Å²	140.2	72%	0.72	76%	0.755	S	S	*	*			cis	-159	124.2	4.7	48.3	0	0	0	0	108.7
175	E	32.1	Very low	30.2	Very low	152 Å²	152	142.9 Å²	142.9	71%	0.71	76%	0.755	S	S	*	*				89.1	137.6	72.6	-79.3	-159.5	99.7	0	0	115.3
176	N	32	Very low	30	Very low	119 Å²	119	145.4 Å²	145.4	64%	0.636	76%	0.756	S	S	*	*			cis	-165.9	167.4	-10.2	-139.1	-31.2	0	0	0	114.5
177	R	29.3	Very low	29.9	Very low	240 Å²	240	146 Å²	146	91%	0.906	76%	0.76	S	S	*	*			trans	67.4	138	150.9	-84.8	177.2	157.5	156	-5.1	124.8
178	G	27.1	Very low	29.8	Very low	79 Å²	79	149.3 Å²	149.3	81%	0.814	77%	0.766	S	S	*	*			trans	174.7	139.3	156.2	0	0	0	0	0	112.9
179	E	28.8	Very low	28.6	Very low	160 Å²	160	147.9 Å²	147.9	75%	0.748	77%	0.771	S	S	*	*			trans	-133.2	164.6	-172.9	-70.7	-178.3	81.6	0	0	115.2
180	K	29.9	Very low	28.6	Very low	157 Å²	157	149.6 Å²	149.6	68%	0.683	78%	0.775	S	S	*	*			trans	92.4	102.3	146.1	-76.3	141.9	-177.9	154.4	0	122.6
181	R	29.2	Very low	28.4	Very low	214 Å²	214	146.5 Å²	146.5	81%	0.808	78%	0.775	S	S	*	*				85	109.5	105.6	-171.4	-176.7	-97.3	-163.7	-3.4	122.1
182	K	28.5	Very low	28.2	Very low	162 Å²	162	148.2 Å²	148.2	70%	0.704	78%	0.782	S	S	*	*			trans	82.4	120.7	142.3	-79.1	179.5	176.4	-174.9	0	122.9
183	R	28.4	Very low	28.3	Very low	215 Å²	215	153.9 Å²	153.9	81%	0.811	79%	0.791	S	S	*	*			trans	68.1	142.1	134.8	-78.3	-172.8	-179.3	-179.5	-1.5	118.8
184	L	25.4	Very low	28	Very low	138 Å²	138	154.1 Å²	154.1	72%	0.723	79%	0.793	S	S	*	*			cis	-138.3	165.2	2.3	-77.7	107.7	0	0	0	111.5
185	L	25.3	Very low	27.8	Very low	149 Å²	149	157.4 Å²	157.4	78%	0.78	79%	0.791	S	S	*	*			trans	32.8	138.3	143.6	-64	169.3	0	0	0	120.3
186	N	24.4	Very low	27.8	Very low	149 Å²	149	156.2 Å²	156.2	80%	0.797	80%	0.796	S	S	*	*			cis	-130.4	165.7	22.5	-101.3	-6.1	0	0	0	113
187	S	25.3	Very low	27.8	Very low	109 Å²	109	157.8 Å²	157.8	76%	0.762	80%	0.797	S	S	*	*			trans	-92.9	149.3	163.8	-61.2	0	0	0	0	110.8
188	E	25.5	Very low	27.6	Very low	199 Å²	199	155.1 Å²	155.1	93%	0.93	80%	0.795	S	S	*	*				-152.3	155.7	102.4	-79.8	-104	100.4	0	0	106.2
189	G	26.1	Very low	27.7	Very low	77 Å²	77	157.9 Å²	157.9	79%	0.794	79%	0.791	S	S	*	*			trans	-175.9	147.1	-177.9	0	0	0	0	0	111.6
190	D	25.8	Very low	27.6	Very low	167 Å²	167	157.6 Å²	157.6	89%	0.893	79%	0.794	S	S	*	*			trans	-124.1	142.3	-177.2	-151.7	-9.9	0	0	0	109.5
191	L	28.5	Very low	27.7	Very low	168 Å²	168	155.6 Å²	155.6	88%	0.88	80%	0.8	S	S	*	*			trans	-119.8	116.3	-169.2	-78.1	172.9	0	0	0	111.4
192	T	28.3	Very low	27.8	Very low	136 Å²	136	150.8 Å²	150.8	83%	0.834	80%	0.799	S	S	*	*			trans	-72.7	133.7	168.8	51.1	0	0	0	0	111.5
193	E	31.2	Very low	27.8	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	81%	0.805	S	S	*	*			trans	-153.9	129.7	143.6	-129.5	163.9	-143.8	0	0	114
194	D	26.5	Very low	27.7	Very low	160 Å²	160	145.6 Å²	145.6	86%	0.856	81%	0.805	S	S	*	*			trans	65.4	160.7	155.9	-93.1	-27.8	0	0	0	125.4
195	Y	26.1	Very low	28	Very low	172 Å²	172	146.5 Å²	146.5	68%	0.675	81%	0.81	S	S	*	*			trans	-127.3	161.9	-159.7	-116.4	-58.9	0	0	0	110.7	K197	Y195-K197 HydrophobicContact CD1-CG 3.7Å; Y195-K197 HydrophobicContact CE1-CB 4.48Å; Y195-K197 HydrophobicContact CE1-CD 4.22Å; Y195-K197 HydrophobicContact CE1-CG 3.29Å; Y195-K197 VanDerWaalsContact CZ-CE 3.46Å; Y195-K197 VanDerWaalsContact OH-CE 3.28Å; Y195-K197 WeakPolarHBondContact OH-CE 3.45Å
196	P	32.5	Very low	28.2	Very low	127 Å²	127	148.3 Å²	148.3	83%	0.825	81%	0.812	S	S	*	*				-140	149.1	92.6	35.1	-20.3	0	0	0	114.6
197	K	31.5	Very low	28.4	Very low	152 Å²	152	146 Å²	146	66%	0.661	81%	0.813	S	S	*	*			trans	-86	154.5	171	-59.3	178.1	178.7	-176.1	0	110.5	Y195	Y195-K197 HydrophobicContact CD1-CG 3.7Å; Y195-K197 HydrophobicContact CE1-CB 4.48Å; Y195-K197 HydrophobicContact CE1-CD 4.22Å; Y195-K197 HydrophobicContact CE1-CG 3.29Å; Y195-K197 VanDerWaalsContact CZ-CE 3.46Å; Y195-K197 VanDerWaalsContact OH-CE 3.28Å; Y195-K197 WeakPolarHBondContact OH-CE 3.45Å
198	E	25.9	Very low	28.5	Very low	184 Å²	184	147.3 Å²	147.3	86%	0.86	82%	0.817	S	S	*	*				-150.3	165.5	123.1	-73.6	-144	130	0	0	109.2
199	N	28.6	Very low	28.8	Very low	136 Å²	136	143.5 Å²	143.5	73%	0.727	81%	0.812	S	S	*	*			trans	35	106.5	172.6	-73.7	-8.6	0	0	0	120.2
200	D	27.6	Very low	28.8	Very low	154 Å²	154	147.2 Å²	147.2	82%	0.824	81%	0.814	S	S	*	*			trans	-148.1	126.9	152.1	-149.5	-17.3	0	0	0	109.9
201	S	30.3	Very low	28.8	Very low	115 Å²	115	143.7 Å²	143.7	80%	0.804	80%	0.8	S	S	*	*			trans	-117.6	56.1	-163.5	-77.6	0	0	0	0	113.9
202	S	31.8	Very low	28.6	Very low	113 Å²	113	141 Å²	141	79%	0.79	80%	0.796	S	S	*	*			trans	-164.9	45.2	166.7	53.3	0	0	0	0	116.7
203	S	28.7	Very low	28.7	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	80%	0.799	S	S	*	*			trans	-142.6	102.6	169.6	72.4	0	0	0	0	115
204	N	27	Very low	28.4	Very low	153 Å²	153	146.3 Å²	146.3	82%	0.818	80%	0.798	S	S	*	*			trans	-151.6	86.6	156.9	-158	2.3	0	0	0	112.4
205	N	31.1	Very low	28.3	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	79%	0.793	S	S	*	*			trans	-136.4	62.1	173.4	-137.3	1.8	0	0	0	110.5
206	K	28.8	Very low	28.2	Very low	187 Å²	187	144.7 Å²	144.7	81%	0.813	79%	0.792	S	S	*	*			trans	-152.9	122.5	167	-148.8	168.9	-170.4	173.5	0	111.6
207	A	30.1	Very low	27.9	Very low	100 Å²	100	146.4 Å²	146.4	83%	0.826	79%	0.793	S	S	*	*			trans	-88.9	123.7	179.8	0	0	0	0	0	111.8
208	T	26.2	Very low	27.5	Very low	138 Å²	138	144.5 Å²	144.5	85%	0.847	80%	0.799	S	S	*	*			trans	-143.4	143.2	158.6	39.9	0	0	0	0	109.5
209	S	31.3	Very low	27.5	Very low	118 Å²	118	141.6 Å²	141.6	83%	0.825	80%	0.798	S	S	*	*			trans	-68.6	142.2	-176.7	54.2	0	0	0	0	114
210	D	26.2	Very low	27.3	Very low	155 Å²	155	143.4 Å²	143.4	83%	0.829	80%	0.799	S	S	*	*			trans	-113.8	128.7	169.9	-171.4	27.9	0	0	0	112
211	P	26.7	Very low	27.2	Very low	93 Å²	93	141.9 Å²	141.9	60%	0.604	79%	0.791	S	S	*	*			trans	-88	168	178.5	-8.5	27.4	0	0	0	115.2
212	S	25	Very low	26.8	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	79%	0.794	S	S	*	*			trans	65.6	93.2	155.5	61.4	0	0	0	0	119.4
213	R	29.5	Very low	26.5	Very low	239 Å²	239	148.2 Å²	148.2	90%	0.902	80%	0.797	S	S	*	*			trans	-45.1	138.4	135.9	-64.4	171.2	167.8	-173	-4.2	110.4
214	K	25.4	Very low	26.2	Very low	193 Å²	193	151.6 Å²	151.6	84%	0.839	80%	0.797	S	S	*	*			trans	-171	148.7	136	-107.9	166.8	-174.1	175.8	0	114.7
215	F	23.4	Very low	26.2	Very low	170 Å²	170	152.5 Å²	152.5	75%	0.746	80%	0.796	S	S	*	*			trans	81.2	98.4	156.7	-90.1	-116.3	0	0	0	121.8
216	L	24.9	Very low	25.8	Very low	128 Å²	128	151.5 Å²	151.5	67%	0.67	80%	0.796	S	S	*	*			trans	67.4	129.7	138.5	-52.2	-177.5	0	0	0	118.7
217	L	26.5	Very low	25.7	Very low	162 Å²	162	149.3 Å²	149.3	85%	0.848	79%	0.789	S	S	*	*				62.9	92.4	54.1	-70.5	167.9	0	0	0	113.9
218	S	23	Very low	25.6	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	78%	0.777	S	S	*	*			trans	-150.7	159.1	152.7	-162.4	0	0	0	0	110.8
219	C	26.1	Very low	25.6	Very low	123 Å²	123	151.1 Å²	151.1	83%	0.831	78%	0.775	S	S	*	*			trans	51.2	78	168.9	-63.9	0	0	0	0	117.9
220	K	24.2	Very low	25.5	Very low	174 Å²	174	154 Å²	154	76%	0.757	77%	0.768	S	S	*	*			trans	-82.2	169.8	141.4	-165.8	-178.5	165.6	-89.3	0	109
221	D	24.6	Very low	25.4	Very low	122 Å²	122	151.7 Å²	151.7	65%	0.652	76%	0.764	S	S	*	*			trans	79.1	110.3	161.7	-57.3	-44.7	0	0	0	118.3
222	K	23.1	Very low	25.4	Very low	198 Å²	198	153 Å²	153	86%	0.861	78%	0.776	S	S	*	*				-142.5	138.5	122.2	-81.1	-148.3	175.6	-177	0	112.3
223	L	23.8	Very low	25.4	Very low	164 Å²	164	152 Å²	152	86%	0.859	77%	0.774	S	S	*	*			trans	52.2	118	162.3	-80.4	75.8	0	0	0	120.3
224	K	24.3	Very low	26.2	Very low	186 Å²	186	145.8 Å²	145.8	81%	0.809	77%	0.765	S	S	*	*			trans	-135.3	129.5	134.9	-174.5	-176.8	179.2	-174.5	0	108.4
225	Q	25.3	Very low	26.4	Very low	173 Å²	173	145.1 Å²	145.1	81%	0.808	77%	0.769	S	S	*	*			trans	-167.4	131.1	170.6	-116.4	-179	-0	0	0	110.4
226	T	24.4	Very low	26.5	Very low	134 Å²	134	140.2 Å²	140.2	82%	0.822	77%	0.767	S	S	*	*			trans	172.4	114.6	134.3	-67.4	0	0	0	0	109
227	E	25.2	Very low	26.6	Very low	142 Å²	142	139.7 Å²	139.7	66%	0.664	77%	0.774	S	S	*	*			trans	-157.1	150.7	-174.4	-65.1	88.8	174.3	0	0	108.2
228	E	28.4	Very low	26.6	Very low	122 Å²	122	136.6 Å²	136.6	57%	0.57	77%	0.772	S	S	*	*			cis	-96.4	-176.6	-2.6	-45.9	178.2	75.3	0	0	113.8	R230	E228-R230 WeakPolarHBondContact OE1-CG 3.35Å; E228-R230 IonicContact OE1-CZ 3.78Å; E228-R230 IonicContact OE1-NE 3.39Å; E228-R230 IonicContact OE1-NH1 3.62Å; E228-R230 IonicContact OE2-CZ 2.74Å; E228-R230 IonicContact OE2-NE 2.59Å; E228-R230 IonicContact OE2-NH1 2.62Å; E228-R230 PolarHBondContact OE2-NH1 3.17Å
229	N	25.5	Very low	27.4	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	77%	0.774	S	S	*	*				-167.3	99.8	105.9	-100.9	-48.1	0	0	0	116.7
230	R	29.6	Very low	27.5	Very low	178 Å²	178	138.7 Å²	138.7	67%	0.672	77%	0.772	S	S	*	*			trans	22.8	133.8	133.9	-86.8	165.5	158.8	145.9	-9.1	124.7	E228	E228-R230 WeakPolarHBondContact OE1-CG 3.35Å; E228-R230 IonicContact OE1-CZ 3.78Å; E228-R230 IonicContact OE1-NE 3.39Å; E228-R230 IonicContact OE1-NH1 3.62Å; E228-R230 IonicContact OE2-CZ 2.74Å; E228-R230 IonicContact OE2-NE 2.59Å; E228-R230 IonicContact OE2-NH1 2.62Å; E228-R230 PolarHBondContact OE2-NH1 3.17Å
231	S	25.6	Very low	27.6	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	77%	0.771	S	S	*	*			trans	69.8	149.3	137.4	-47.8	0	0	0	0	118.7
232	S	26.7	Very low	28.4	Very low	121 Å²	121	136.9 Å²	136.9	85%	0.846	77%	0.771	S	S	*	*			cis	-150.7	175.2	21.8	-52.9	0	0	0	0	113
233	A	25	Very low	28.5	Very low	91 Å²	91	133.2 Å²	133.2	75%	0.752	77%	0.766	S	S	*	*			trans	-109.7	-167.3	173	0	0	0	0	0	111
234	P	45	Very low	28.8	Very low	108 Å²	108	130.5 Å²	130.5	70%	0.701	76%	0.761	S	S	*	*			cis	-144.4	173.7	-1.9	44.2	-25.1	0	0	0	119
235	L	30.2	Very low	28.9	Very low	178 Å²	178	129.9 Å²	129.9	93%	0.932	76%	0.758	S	S	*	*			trans	59.5	138.1	141.4	-75.3	166.3	0	0	0	125.9
236	G	25.3	Very low	29.2	Very low	68 Å²	68	132 Å²	132	70%	0.701	76%	0.76	S	S	*	*			trans	123.3	144.4	141.3	0	0	0	0	0	118.1
237	S	27	Very low	29.2	Very low	116 Å²	116	129 Å²	129	81%	0.811	76%	0.756	S	S	*	*			cis	-179.6	120.5	-41.9	44.3	0	0	0	0	113
238	A	26.6	Very low	29.4	Very low	98 Å²	98	127.7 Å²	127.7	81%	0.81	76%	0.762	S	S	*	*			trans	62.7	178.1	149.8	0	0	0	0	0	119.2
239	P	40.3	Very low	29.5	Very low	127 Å²	127	133.7 Å²	133.7	83%	0.825	78%	0.78	S	S	*	*			cis	-127.3	-144.3	-4.6	42.7	-24.3	0	0	0	115.2
240	L	27.7	Very low	29.7	Very low	151 Å²	151	132.3 Å²	132.3	79%	0.791	78%	0.782	S	S	*	*			trans	-133.5	178.3	-154.7	-62.6	162.2	0	0	0	115.1
241	Q	25.3	Very low	29.6	Very low	158 Å²	158	126.8 Å²	126.8	74%	0.738	78%	0.78	S	S	*	*			trans	79.5	165.6	154.7	-62.9	-48.9	-30	0	0	119.7
242	P	41.2	Very low	29.8	Very low	101 Å²	101	127.7 Å²	127.7	66%	0.656	78%	0.782	S	S	*	*			cis	-139.9	172	-21	28	-4.6	0	0	0	118
243	T	26	Very low	30.1	Very low	120 Å²	120	130 Å²	130	74%	0.736	78%	0.777	S	S	*	*			trans	46.3	116.4	142	61.1	0	0	0	0	126.3
244	S	29.1	Very low	30.3	Very low	108 Å²	108	131 Å²	131	76%	0.755	77%	0.769	S	S	*	*				68	138.5	119.7	76.4	0	0	0	0	127.3
245	F	27.1	Very low	29.6	Very low	173 Å²	173	135.4 Å²	135.4	76%	0.759	77%	0.773	S	S	*	*			trans	103.9	146.3	133.5	-128.3	-116.3	0	0	0	122.9
246	Y	31.1	Very low	29.6	Very low	218 Å²	218	129.9 Å²	129.9	86%	0.855	76%	0.759	S	S	*	*			trans	63.6	148.3	173.9	-89	-60.3	0	0	0	122.6
247	G	25.6	Very low	30	Very low	71 Å²	71	135 Å²	135	73%	0.732	76%	0.764	S	S	*	*				150.6	4.2	125.8	0	0	0	0	0	127.2
248	S	29.6	Very low	30.2	Very low	113 Å²	113	133.7 Å²	133.7	79%	0.79	76%	0.755	S	S	*	*			trans	18.7	122.9	165.9	-67.2	0	0	0	0	124.2
249	R	30.1	Very low	30.4	Very low	249 Å²	249	136.8 Å²	136.8	94%	0.94	75%	0.753	S	S	*	*			trans	70.3	115.3	135.2	-66.1	178.2	170.3	-105.5	0.7	124.2
250	S	29.8	Very low	30.2	Very low	123 Å²	123	134 Å²	134	86%	0.86	74%	0.736	S	S	*	*				-171.7	153.4	129.5	-159.3	0	0	0	0	107.1
251	G	28	Very low	30.3	Very low	62 Å²	62	135.3 Å²	135.3	64%	0.639	74%	0.736	S	S	*	*			cis	94.6	124.9	35.2	0	0	0	0	0	110.2
252	T	29.2	Very low	30.9	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	73%	0.732	S	S	*	*			cis	-166.6	152.1	5	48.6	0	0	0	0	112.7
253	K	33.2	Very low	30.4	Very low	170 Å²	170	134.1 Å²	134.1	74%	0.739	73%	0.728	S	S	*	*			trans	64	165.9	148.2	-90	169.1	150	-84.8	0	119.5
254	D	28.7	Very low	30.7	Very low	110 Å²	110	138.2 Å²	138.2	59%	0.588	73%	0.73	S	S	*	*			cis	-151.8	166.6	10.2	-126	-30.7	0	0	0	114.8
255	Y	30.8	Very low	30.9	Very low	202 Å²	202	137 Å²	137	79%	0.792	73%	0.727	S	S	*	*			trans	27.9	149.5	155.8	-98.6	-113.9	0	0	0	124.6
256	G	30.2	Very low	31.3	Very low	61 Å²	61	134.3 Å²	134.3	63%	0.629	73%	0.729	S	S	*	*			cis	160.6	173.3	-5.7	0	0	0	0	0	114.9
257	Q	33.4	Very low	31.4	Very low	176 Å²	176	127.7 Å²	127.7	82%	0.822	73%	0.727	S	S	*	*			trans	63.6	142.1	172.5	-66.4	-177.1	-24.1	0	0	117.7
258	S	31.6	Very low	31.8	Very low	88 Å²	88	129.4 Å²	129.4	62%	0.615	73%	0.734	S	S	*	*			cis	-158.3	-169.9	-14.6	-77.8	0	0	0	0	105.8
259	H	29.9	Very low	32	Very low	164 Å²	164	128.3 Å²	128.3	76%	0.759	73%	0.732	S	S	*	*			cis	-145	161.3	10.7	-93.4	-77.8	0	0	0	106.8
260	S	35.8	Very low	32.2	Very low	68 Å²	68	124.9 Å²	124.9	48%	0.476	73%	0.727	S	S	.	*			cis	70.6	120.5	49	107.6	0	0	0	0	113.3
261	F	31.4	Very low	32.3	Very low	179 Å²	179	125 Å²	125	79%	0.785	72%	0.722	S	S	*	*			cis	-162.8	167.6	20.7	-87.9	-41.9	0	0	0	107.2
262	L	37.3	Very low	32.4	Very low	125 Å²	125	126.6 Å²	126.6	65%	0.654	72%	0.724	S	S	*	*			cis	-164.6	177.4	-8.9	-90.1	160.1	0	0	0	103.4
263	D	31.3	Very low	32.4	Very low	108 Å²	108	126.3 Å²	126.3	58%	0.578	72%	0.722	S	S	*	*			cis	-167.8	-164.9	-1	-119.3	-4.2	0	0	0	105
264	R	31.3	Very low	32.3	Very low	207 Å²	207	123.4 Å²	123.4	78%	0.781	72%	0.719	S	S	*	*			cis	162.6	155.9	-23.1	-171	161.7	-176.9	170.4	4.8	105.2
265	A	32.7	Very low	32.4	Very low	82 Å²	82	127 Å²	127	68%	0.678	73%	0.729	S	S	*	*			cis	-157.3	175.9	4.9	0	0	0	0	0	106.4
266	S	36.3	Very low	32.4	Very low	117 Å²	117	128.7 Å²	128.7	82%	0.818	73%	0.734	S	S	*	*			cis	-167.6	155	-17	-91	0	0	0	0	104.4
267	G	33.7	Very low	32.3	Very low	79 Å²	79	131.4 Å²	131.4	81%	0.814	74%	0.744	S	S	*	*			cis	108.1	142.6	42.8	0	0	0	0	0	108.7
268	A	33.2	Very low	32.2	Very low	106 Å²	106	130.1 Å²	130.1	88%	0.876	74%	0.741	S	S	*	*			cis	-141.6	-148.4	-8.3	0	0	0	0	0	107.2
269	A	34.6	Very low	32.1	Very low	90 Å²	90	133.9 Å²	133.9	74%	0.744	75%	0.751	S	S	*	*			cis	-161.9	-169.3	5.9	0	0	0	0	0	107.5
270	Q	33.7	Very low	32.3	Very low	177 Å²	177	133.2 Å²	133.2	83%	0.827	75%	0.753	S	S	*	*			cis	-146.3	-101.1	-0.1	-157	170.9	5.5	0	0	112.7
271	T	31.6	Very low	32.4	Very low	125 Å²	125	135.8 Å²	135.8	77%	0.767	77%	0.768	S	S	*	*			trans	-156.2	173.3	-163.5	55.7	0	0	0	0	111.2
272	S	30.2	Very low	32.1	Very low	96 Å²	96	133.6 Å²	133.6	67%	0.671	76%	0.764	S	S	*	*			cis	-159.3	150.4	18.2	60.1	0	0	0	0	115.1
273	T	28.8	Very low	31.8	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	77%	0.768	S	S	*	*			trans	14.4	148.6	142.3	61.6	0	0	0	0	121.9
274	T	30.7	Very low	31.7	Very low	110 Å²	110	135.8 Å²	135.8	68%	0.675	78%	0.781	S	S	*	*			cis	-171.1	153.1	31.4	-15	0	0	0	0	115.8
275	K	31.2	Very low	31.9	Very low	186 Å²	186	131.5 Å²	131.5	81%	0.809	78%	0.778	S	S	*	*			trans	65.3	127.7	140.5	-90.2	164.4	-170	170.8	0	125.1
276	R	31.1	Very low	32.1	Very low	237 Å²	237	133.6 Å²	133.6	89%	0.894	78%	0.784	S	S	*	*			trans	80.1	113.9	133	-97.4	-172.1	-180	175.4	-1	122.8
277	S	27.9	Very low	31.8	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	79%	0.786	S	S	*	*				134.5	155.7	106.8	-151.9	0	0	0	0	115.1
278	L	31.7	Very low	31.6	Very low	148 Å²	148	142.7 Å²	142.7	78%	0.775	79%	0.787	S	S	*	*			trans	-97.2	150.2	-175.2	-61.8	156.3	0	0	0	112.3
279	M	30.2	Very low	31.5	Very low	167 Å²	167	146.9 Å²	146.9	82%	0.823	79%	0.785	S	S	*	*				172.9	151.6	122.6	-91.4	-64.4	109.6	0	0	110.9
280	L	32.9	Very low	31.1	Very low	151 Å²	151	149.7 Å²	149.7	79%	0.791	79%	0.793	S	S	*	*			trans	-96.4	159	167.9	-75.7	73.1	0	0	0	109.2
281	P	38.1	Very low	31.1	Very low	122 Å²	122	152.1 Å²	152.1	79%	0.792	80%	0.795	S	S	*	*				-139.5	-168.8	95.7	35.7	-19.2	0	0	0	114.4
282	N	26.6	Very low	31.2	Very low	132 Å²	132	151.9 Å²	151.9	71%	0.706	80%	0.795	S	S	*	*			trans	-85.1	-165.8	-162.3	-75.7	-41.2	0	0	0	115.6
283	H	29.2	Very low	30.9	Very low	160 Å²	160	152.2 Å²	152.2	74%	0.741	80%	0.797	S	S	*	*			trans	102.6	95.8	152.3	-39.7	-66.9	0	0	0	118.3
284	S	29.8	Very low	31.1	Very low	120 Å²	120	152.5 Å²	152.5	84%	0.839	79%	0.794	S	S	*	*			trans	77.4	136.9	133.1	-55	0	0	0	0	122.3
285	T	35.7	Very low	31	Very low	117 Å²	117	154 Å²	154	72%	0.718	80%	0.797	S	S	*	*			trans	-65.6	159.6	167.5	36.7	0	0	0	0	112.1
286	P	36.8	Very low	31	Very low	126 Å²	126	155 Å²	155	82%	0.818	80%	0.798	S	S	*	*			cis	-139.7	157.8	45.5	38.6	-19.1	0	0	0	118.8
287	F	30.1	Very low	30.9	Very low	195 Å²	195	146.8 Å²	146.8	86%	0.855	79%	0.786	S	S	*	*			trans	-92.1	131.1	-179.6	-76.4	-90.4	0	0	0	114
288	K	29.7	Very low	31	Very low	192 Å²	192	152 Å²	152	84%	0.835	79%	0.788	S	S	*	*			trans	-160.4	114.2	145.9	-114.5	164.7	-172.7	170	0	113.4
289	K	31.3	Very low	30.9	Very low	193 Å²	193	152.9 Å²	152.9	84%	0.839	79%	0.794	S	S	*	*			trans	60	113.4	154.3	-56.3	176.2	179.3	-179.9	0	120.2
290	V	25.5	Very low	31.1	Very low	149 Å²	149	152.5 Å²	152.5	90%	0.903	79%	0.788	S	S	*	*				-142.2	153.7	125.9	174	0	0	0	0	108
291	R	34.2	Very low	30.9	Very low	229 Å²	229	154.6 Å²	154.6	86%	0.864	79%	0.793	S	S	*	*			trans	-113.8	156.1	172.8	-75.1	178.9	171.6	170.7	-5.5	110.5
292	P	33.1	Very low	30.4	Very low	119 Å²	119	158.9 Å²	158.9	77%	0.773	79%	0.794	S	S	*	*				-115.3	153.9	109.9	-10	29.8	0	0	0	111.3
293	S	25.6	Very low	30.8	Very low	103 Å²	103	158.7 Å²	158.7	72%	0.72	80%	0.799	S	S	*	*			cis	75	128.5	33.8	-148.9	0	0	0	0	112.2
294	L	32.4	Very low	31	Very low	129 Å²	129	155.4 Å²	155.4	68%	0.675	79%	0.794	S	S	*	*			cis	-151.6	151.8	11.5	-174.8	66.7	0	0	0	110
295	D	27.9	Very low	31.1	Very low	140 Å²	140	155.1 Å²	155.1	75%	0.749	79%	0.793	S	S	*	*			trans	-163.5	166.5	133.5	-112.3	-26.7	0	0	0	113.6
296	Y	32.3	Very low	31.3	Very low	208 Å²	208	157.8 Å²	157.8	82%	0.816	80%	0.802	S	S	*	*			trans	-72.7	165.3	-168.9	-54.3	-95.8	0	0	0	114
297	G	28.5	Very low	31.5	Very low	64 Å²	64	156.2 Å²	156.2	66%	0.66	80%	0.799	S	S	*	*			cis	-174.9	155.8	0.1	0	0	0	0	0	110.1
298	W	30.6	Very low	31.7	Very low	229 Å²	229	154.7 Å²	154.7	87%	0.867	80%	0.795	S	S	*	*			trans	-91.6	137.5	-165.3	-72.4	72	0	0	0	114.9	K300	W298-K300 HydrophobicContact CD2-CG 4.42Å; W298-K300 HydrophobicContact CE3-CD 4.23Å; W298-K300 HydrophobicContact CE3-CG 3.53Å; W298-K300 HydrophobicContact CZ3-CG 4.1Å
299	N	29.2	Very low	32	Very low	166 Å²	166	151.5 Å²	151.5	89%	0.888	79%	0.794	S	S	*	*			trans	-121.7	119.1	148	-161.7	-3.6	0	0	0	108.7
300	K	33.9	Very low	32.9	Very low	159 Å²	159	148.9 Å²	148.9	69%	0.691	78%	0.784	S	S	*	*			trans	-95.6	111.2	-168.3	-76.6	179	178.9	178	0	111.6	W298	W298-K300 HydrophobicContact CD2-CG 4.42Å; W298-K300 HydrophobicContact CE3-CD 4.23Å; W298-K300 HydrophobicContact CE3-CG 3.53Å; W298-K300 HydrophobicContact CZ3-CG 4.1Å
301	Q	28.9	Very low	34.6	Very low	194 Å²	194	146.3 Å²	146.3	91%	0.907	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-80.7	146	155.2	-73.7	-165.9	-10.7	0	0	110.8
302	R	28.3	Very low	36.2	Very low	213 Å²	213	140.3 Å²	140.3	80%	0.804	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-87.5	129.7	-175.5	-175.7	-169.4	-66.3	-177.5	-1.6	109.3	S304	R302-S304 WeakPolarHBondContact CD-OG 3.38Å; R302-S304 WeakPolarHBondContact CG-OG 3.36Å; R302-S304 PolarHBondContact O-N 2.7Å
303	P	34.6	Very low	38.5	Very low	127 Å²	127	137 Å²	137	83%	0.825	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-64.4	125.6	167.6	28	-32.8	0	0	0	108.6
304	S	32.1	Very low	41.2	Very low	91 Å²	91	134.6 Å²	134.6	64%	0.636	71%	0.714	S	S	*	*			trans	-150.1	61.7	-170.5	-70	0	0	0	0	113.6	R302	R302-S304 WeakPolarHBondContact CD-OG 3.38Å; R302-S304 WeakPolarHBondContact CG-OG 3.36Å; R302-S304 PolarHBondContact O-N 2.7Å
305	S	32.8	Very low	44.1	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	69%	0.685	S	S	*	*			trans	-169.5	150.7	143.9	54	0	0	0	0	109.5	A307	S305-A307 PolarHBondContact O-N 3.46Å
306	L	40.6	Very low	47.3	Very low	173 Å²	173	122.1 Å²	122.1	91%	0.906	65%	0.649	S	S	*	*			trans	-73	105.2	165.7	-76.4	159	0	0	0	107.6	Q308	L306-Q308 PolarHBondContact O-N 3.22Å; L306-Q308 VanDerWaalsContact O-N 3.09Å
307	A	39.4	Very low	50.2	Low	93 Å²	93	112.9 Å²	112.9	77%	0.769	62%	0.615	S	S	*	*			trans	-65	109.4	166.4	0	0	0	0	0	108	S305	S305-A307 PolarHBondContact O-N 3.46Å
308	Q	34.8	Very low	53.3	Low	163 Å²	163	112.5 Å²	112.5	76%	0.762	60%	0.598	S	S	*	*			trans	-53.8	137.2	168.2	-73.2	176.4	-38.6	0	0	108.6	L306 Q310	L306-Q308 PolarHBondContact O-N 3.22Å; L306-Q308 VanDerWaalsContact O-N 3.09Å; Q308-Q310 PolarHBondContact O-N 2.87Å
309	P	36.6	Very low	56.3	Low	125 Å²	125	103.3 Å²	103.3	81%	0.812	57%	0.566	S	S	*	*			trans	-62.1	106.6	174	26.3	-32.8	0	0	0	108.2
310	Q	50.7	Low	59.3	Low	138 Å²	138	96.7 Å²	96.7	65%	0.645	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-55.2	130.9	171.7	-73.3	-75.2	-49.5	0	0	107.8	Q308	Q308-Q310 PolarHBondContact O-N 2.87Å
311	P	59.8	Low	62.1	Low	95 Å²	95	92.3 Å²	92.3	62%	0.617	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-56.6	139.3	-179.4	23.3	-32.9	0	0	0	109.3	L313	P311-L313 PolarHBondContact O-N 2.83Å
312	P	68.8	Low	65.3	Low	102 Å²	102	83 Å²	83	66%	0.662	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-57.5	138.7	-175.7	24.1	-33.9	0	0	0	109.9	Q314	P312-Q314 WeakPolarHBondContact O-CG 3.48Å; P312-Q314 PolarHBondContact O-N 2.98Å
313	L	81.4	Confident	68.5	Low	49 Å²	49	73 Å²	73	26%	0.257	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-66.9	125	172.3	-60.9	172.7	0	0	0	107.8	P311 K889 L893 V900 R902	P311-L313 PolarHBondContact O-N 2.83Å; L313-K889 HydrophobicContact CD2-CD 4.13Å; L313-L893 HydrophobicContact CD1-CD2 3.98Å; L313-L893 HydrophobicContact CD2-CD1 4.28Å; L313-L893 HydrophobicContact CD2-CD2 4.33Å; L313-V900 HydrophobicContact CB-CB 3.71Å; L313-V900 HydrophobicContact CB-CG1 3.8Å; L313-V900 HydrophobicContact CD1-CG1 4.24Å; L313-R902 HydrophobicContact CD1-CG 4.07Å
314	Q	82.9	Confident	71.5	Confident	54 Å²	54	67 Å²	67	25%	0.252	40%	0.401	S	S	.	.			trans	-114.3	119.7	-168.9	-48.2	-160.1	43.1	0	0	111.7	P312 D369 K376	P312-Q314 WeakPolarHBondContact O-CG 3.48Å; P312-Q314 PolarHBondContact O-N 2.98Å; Q314-D369 PolarHBondContact NE2-O 3.23Å; Q314-K376 VanDerWaalsContact CB-NZ 3.3Å
315	G	91.9	Very high	74.6	Confident	5 Å²	5	62.7 Å²	62.7	5%	0.052	37%	0.371	C	S	.	.			trans	-87.6	-165.6	174.3	0	0	0	0	0	114.1	D897 L898	G315-D897 CarbonylContact C-O 3.59Å; G315-D897 WeakPolarHBondContact CA-O 3.07Å; G315-L898 PolarHBondContact N-O 3.23Å
316	F	95.5	Very high	77.7	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	33%	0.333	C	S	.	.			trans	-115.2	136.7	177.2	-71.4	-30.5	0	0	0	111.6	N318 N326 L329 Q330 F333 L364 K368 L380 D897 L898	F316-N318 PolarHBondContact O-N 3.35Å; F316-N326 HydrophobicContact CB-CB 4.19Å; F316-N326 PolarHBondContact O-ND2 3.07Å; F316-L329 HydrophobicContact CD2-CB 4.25Å; F316-L329 HydrophobicContact CE2-CB 3.79Å; F316-Q330 HydrophobicContact CD2-CG 3.78Å; F316-Q330 HydrophobicContact CE2-CG 3.89Å; F316-F333 HydrophobicContact CE2-CD2 4.15Å; F316-F333 HydrophobicContact CE2-CE2 4.39Å; F316-F333 AromaticContact CZ-CD2 3.97Å; F316-F333 HydrophobicContact CZ-CD2 3.97Å; F316-F333 HydrophobicContact CZ-CE2 4.25Å; F316-L364 HydrophobicContact CE1-CD1 3.95Å; F316-L364 HydrophobicContact CZ-CD1 4.29Å; F316-L364 HydrophobicContact CZ-CD2 4.44Å; F316-L364 HydrophobicContact CZ-CG 4.36Å; F316-K368 HydrophobicContact CE1-CB 4.09Å; F316-K368 HydrophobicContact CZ-CB 4.15Å; F316-L380 HydrophobicContact CB-CD1 3.68Å; F316-L380 HydrophobicContact CB-CD2 4.07Å; F316-L380 HydrophobicContact CD1-CD1 4.01Å; F316-L380 HydrophobicContact CD1-CD2 4.1Å; F316-L380 HydrophobicContact CD1-CG 4.42Å; F316-L380 HydrophobicContact CD2-CD2 4Å; F316-L380 HydrophobicContact CE2-CD2 4.48Å; F316-L380 HydrophobicContact CG-CD1 4.01Å; F316-L380 HydrophobicContact CG-CD2 3.8Å; F316-L380 HydrophobicContact CG-CG 4.46Å; F316-D897 PolarHBondContact N-O 2.92Å; F316-D897 CarbonylContact O-C 3.5Å; F316-D897 WeakPolarHBondContact O-CA 3.14Å; F316-L898 PolarHBondContact O-N 2.86Å
317	S	94	Very high	80.4	Confident	14 Å²	14	49.3 Å²	49.3	10%	0.098	29%	0.291	C	S	.	.			trans	-63.2	129.5	177.4	-70.9	0	0	0	0	111.2	L319 N326	S317-L319 PolarHBondContact O-N 3.09Å; S317-N326 PolarHBondContact O-ND2 2.87Å; S317-N326 VanDerWaalsContact O-ND2 3.12Å
318	N	93.7	Very high	83.2	Confident	56 Å²	56	44.9 Å²	44.9	30%	0.299	26%	0.255	S	S	.	.			trans	-67.6	122.9	164	-160.1	-50.1	0	0	0	109	F316 G320 N321 T322 D897	F316-N318 PolarHBondContact O-N 3.35Å; N318-G320 VanDerWaalsContact C-N 3.3Å; N318-G320 WeakPolarHBondContact OD1-CA 3.29Å; N318-G320 PolarHBondContact OD1-N 2.91Å; N318-N321 PolarHBondContact OD1-N 2.99Å; N318-T322 PolarHBondContact OD1-N 3.5Å; N318-T322 VanDerWaalsContact OD1-N 3.08Å; N318-D897 HydrophobicContact CB-CB 4.34Å; N318-D897 WeakPolarHBondContact CB-OD2 3.26Å; N318-D897 PolarHBondContact ND2-OD2 3.12Å
319	L	92.8	Very high	86.2	Confident	37 Å²	37	37.1 Å²	37.1	19%	0.194	22%	0.219	C	C	.	.			trans	-89.3	2	179.7	-52.5	-176.4	0	0	0	112.7	S317 T322 M325 K377 L380 R381	S317-L319 PolarHBondContact O-N 3.09Å; L319-T322 HydrophobicContact CB-CG2 3.83Å; L319-T322 PolarHBondContact N-OG1 3.46Å; L319-M325 HydrophobicContact CD1-CE 4.17Å; L319-K377 HydrophobicContact CD2-CG 3.54Å; L319-L380 HydrophobicContact CD1-CB 3.98Å; L319-R381 HydrophobicContact CD1-CB 4.24Å
320	G	90.9	Very high	89.1	Confident	27 Å²	27	31.5 Å²	31.5	28%	0.278	18%	0.182	S	C	.	.	S	Bend	trans	114.9	95	-172.1	0	0	0	0	0	110.3	N318 T322	N318-G320 VanDerWaalsContact C-N 3.3Å; N318-G320 WeakPolarHBondContact OD1-CA 3.29Å; N318-G320 PolarHBondContact OD1-N 2.91Å; G320-T322 PolarHBondContact O-N 3.06Å
321	N	93.6	Very high	91.3	Very high	66 Å²	66	25 Å²	25	35%	0.353	15%	0.151	S	C	.	.	S	Bend	trans	61.3	18.1	-175.7	-70.6	-43.7	0	0	0	115.5	N318 C323 Y324 N397 Q399	N318-N321 PolarHBondContact OD1-N 2.99Å; N321-C323 VanDerWaalsContact C-N 3.3Å; N321-C323 PolarHBondContact O-N 3.29Å; N321-Y324 WeakPolarHBondContact O-CD1 3.23Å; N321-Y324 WeakPolarHBondContact O-CE1 3.13Å; N321-N397 PolarHBondContact ND2-O 3.29Å; N321-Q399 HydrophobicContact CB-CG 3.71Å; N321-Q399 WeakPolarHBondContact OD1-CG 3.34Å; N321-Q399 PolarHBondContact OD1-NE2 2.86Å
322	T	96.1	Very high	93.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	22.7	-176.2	67.9	0	0	0	0	114.3	N318 L319 G320 Y324 M325 N326 K384	N318-T322 PolarHBondContact OD1-N 3.5Å; N318-T322 VanDerWaalsContact OD1-N 3.08Å; L319-T322 HydrophobicContact CB-CG2 3.83Å; L319-T322 PolarHBondContact N-OG1 3.46Å; G320-T322 PolarHBondContact O-N 3.06Å; T322-Y324 VanDerWaalsContact C-N 3.27Å; T322-Y324 PolarHBondContact O-N 3.38Å; T322-M325 WeakPolarHBondContact O-CB 3.22Å; T322-M325 PolarHBondContact O-N 2.72Å; T322-N326 PolarHBondContact O-N 2.75Å; T322-K384 HydrophobicContact CG2-CD 4.41Å
323	C	96.3	Very high	94.4	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.014	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-30.5	179	50.9	0	0	0	0	112.3	N321 M325 N326 A327 H879	N321-C323 VanDerWaalsContact C-N 3.3Å; N321-C323 PolarHBondContact O-N 3.29Å; C323-M325 PolarHBondContact O-N 2.91Å; C323-N326 PolarHBondContact O-N 3.5Å; C323-A327 WeakPolarHBondContact O-CB 3.38Å; C323-A327 PolarHBondContact O-N 2.84Å; C323-H879 WeakPolarHBondContact CB-CE1 3.45Å; C323-H879 WeakPolarHBondContact CB-ND1 3.31Å; C323-H879 PolarHBondContact SG-ND1 3.43Å
324	Y	96.8	Very high	94.9	Very high	1 Å²	1	15 Å²	15	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-56.3	-50.3	171.2	67	-90.9	0	0	0	111	N321 T322 I328 F394 N400 F405	N321-Y324 WeakPolarHBondContact O-CD1 3.23Å; N321-Y324 WeakPolarHBondContact O-CE1 3.13Å; T322-Y324 VanDerWaalsContact C-N 3.27Å; T322-Y324 PolarHBondContact O-N 3.38Å; Y324-I328 WeakPolarHBondContact O-CG1 3.44Å; Y324-I328 PolarHBondContact O-N 3.2Å; Y324-F394 AromaticContact CE2-CD1 3.68Å; Y324-F394 HydrophobicContact CE2-CD1 3.68Å; Y324-F394 AromaticContact CE2-CE1 3.92Å; Y324-F394 HydrophobicContact CE2-CE1 3.92Å; Y324-F394 AromaticContact CZ-CD1 3.98Å; Y324-N400 HydrophobicContact CD1-CB 4.18Å; Y324-N400 HydrophobicContact CD2-CB 4.26Å; Y324-N400 HydrophobicContact CE1-CB 3.93Å; Y324-N400 HydrophobicContact CE2-CB 4.06Å; Y324-N400 HydrophobicContact CG-CB 4.36Å; Y324-F405 HydrophobicContact CD2-CB 3.76Å; Y324-F405 HydrophobicContact CD2-CD1 4.34Å; Y324-F405 HydrophobicContact CD2-CD2 4.12Å; Y324-F405 AromaticContact CD2-CG 3.81Å; Y324-F405 HydrophobicContact CD2-CG 3.81Å; Y324-F405 HydrophobicContact CE2-CB 4.08Å; Y324-F405 AromaticContact CE2-CD2 3.66Å; Y324-F405 HydrophobicContact CE2-CD2 3.66Å; Y324-F405 HydrophobicContact CE2-CE2 4.24Å; Y324-F405 AromaticContact CE2-CG 3.85Å; Y324-F405 HydrophobicContact CE2-CG 3.85Å
325	M	97.6	Very high	95.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-49.8	175.6	171.2	-179.3	89.9	0	0	110.8	L319 T322 C323 A327 I328 L329 L380 V383 K384 F405	L319-M325 HydrophobicContact CD1-CE 4.17Å; T322-M325 WeakPolarHBondContact O-CB 3.22Å; T322-M325 PolarHBondContact O-N 2.72Å; C323-M325 PolarHBondContact O-N 2.91Å; M325-A327 VanDerWaalsContact C-N 3.33Å; M325-A327 PolarHBondContact O-N 3.47Å; M325-I328 PolarHBondContact O-N 3.22Å; M325-L329 HydrophobicContact CG-CD1 3.6Å; M325-L329 HydrophobicContact CG-CG 4.08Å; M325-L329 WeakPolarHBondContact O-CB 3.27Å; M325-L329 VanDerWaalsContact O-CG 3.26Å; M325-L329 WeakPolarHBondContact O-CG 3.45Å; M325-L329 PolarHBondContact O-N 2.82Å; M325-L329 HydrophobicContact SD-CD1 4.3Å; M325-L380 HydrophobicContact CE-CB 4.12Å; M325-L380 HydrophobicContact CE-CD2 4.06Å; M325-V383 HydrophobicContact SD-CG1 4.49Å; M325-K384 HydrophobicContact SD-CB 4.06Å; M325-K384 HydrophobicContact SD-CG 4.48Å; M325-F405 HydrophobicContact CB-CD1 4.32Å; M325-F405 HydrophobicContact CB-CE1 3.83Å; M325-F405 HydrophobicContact CB-CE2 4.29Å; M325-F405 HydrophobicContact CB-CZ 3.82Å; M325-F405 HydrophobicContact CG-CE1 3.72Å; M325-F405 HydrophobicContact CG-CE2 4.27Å; M325-F405 HydrophobicContact CG-CZ 3.49Å; M325-F405 VanDerWaalsContact CG-CZ 3.49Å; M325-F405 HydrophobicContact SD-CZ 4.15Å
326	N	97.5	Very high	95.5	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-61	-41.2	-176.4	-70.2	-14.5	0	0	0	112	F316 S317 T322 C323 Q330 D897	F316-N326 HydrophobicContact CB-CB 4.19Å; F316-N326 PolarHBondContact O-ND2 3.07Å; S317-N326 PolarHBondContact O-ND2 2.87Å; S317-N326 VanDerWaalsContact O-ND2 3.12Å; T322-N326 PolarHBondContact O-N 2.75Å; C323-N326 PolarHBondContact O-N 3.5Å; N326-Q330 VanDerWaalsContact O-CG 3.25Å; N326-Q330 WeakPolarHBondContact O-CG 3.44Å; N326-Q330 PolarHBondContact O-N 3.18Å; N326-D897 PolarHBondContact ND2-OD1 3.16Å
327	A	98.1	Very high	95.3	Very high	4 Å²	4	13 Å²	13	3%	0.033	8%	0.081	C	C	.	.	H	α-helix	trans	-65.1	-44.9	176.7	0	0	0	0	0	112.7	C323 M325 Q330 S331 V868 S882	C323-A327 WeakPolarHBondContact O-CB 3.38Å; C323-A327 PolarHBondContact O-N 2.84Å; M325-A327 VanDerWaalsContact C-N 3.33Å; M325-A327 PolarHBondContact O-N 3.47Å; A327-Q330 PolarHBondContact O-N 3.02Å; A327-S331 PolarHBondContact O-N 3.33Å; A327-S331 VanDerWaalsContact O-N 3.07Å; A327-S331 PolarHBondContact O-OG 2.69Å; A327-V868 HydrophobicContact CB-CG1 3.93Å; A327-V868 HydrophobicContact CB-CG2 4.49Å; A327-S882 WeakPolarHBondContact O-CB 3.49Å; A327-S882 PolarHBondContact O-OG 3.41Å
328	I	98.4	Very high	95.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.4	-45.4	175.9	-68.5	-55	0	0	0	111.8	Y324 M325 Q330 S331 L332 A402 F405 L406 V868 I918	Y324-I328 WeakPolarHBondContact O-CG1 3.44Å; Y324-I328 PolarHBondContact O-N 3.2Å; M325-I328 PolarHBondContact O-N 3.22Å; I328-Q330 PolarHBondContact O-N 2.96Å; I328-S331 WeakPolarHBondContact O-CB 3.3Å; I328-S331 PolarHBondContact O-N 2.87Å; I328-L332 HydrophobicContact CG2-CD1 3.82Å; I328-L332 HydrophobicContact CG2-CG 4.3Å; I328-L332 WeakPolarHBondContact O-CG 3.42Å; I328-L332 PolarHBondContact O-N 3.47Å; I328-A402 HydrophobicContact CD1-CB 4.24Å; I328-A402 WeakPolarHBondContact CD1-O 3.47Å; I328-A402 HydrophobicContact CG1-CB 4.15Å; I328-A402 WeakPolarHBondContact CG1-O 3.4Å; I328-F405 HydrophobicContact CB-CD1 3.98Å; I328-F405 HydrophobicContact CB-CE1 4.31Å; I328-F405 HydrophobicContact CG1-CD1 4.15Å; I328-F405 HydrophobicContact CG2-CD1 3.97Å; I328-F405 HydrophobicContact CG2-CE1 4.18Å; I328-L406 HydrophobicContact CD1-CB 3.86Å; I328-L406 HydrophobicContact CD1-CD2 4.2Å; I328-L406 HydrophobicContact CD1-CG 4.46Å; I328-L406 HydrophobicContact CG1-CB 4.26Å; I328-L406 HydrophobicContact CG2-CB 4.17Å; I328-L406 HydrophobicContact CG2-CD1 3.98Å; I328-V868 HydrophobicContact CD1-CG1 4.47Å; I328-V868 HydrophobicContact CD1-CG2 4.25Å; I328-I918 HydrophobicContact CD1-CD1 3.79Å
329	L	97.9	Very high	95.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.6	-40.2	-179.9	-66.1	178.7	0	0	0	111.8	F316 M325 L332 F333 F361 L364 L380 V383	F316-L329 HydrophobicContact CD2-CB 4.25Å; F316-L329 HydrophobicContact CE2-CB 3.79Å; M325-L329 HydrophobicContact CG-CD1 3.6Å; M325-L329 HydrophobicContact CG-CG 4.08Å; M325-L329 WeakPolarHBondContact O-CB 3.27Å; M325-L329 VanDerWaalsContact O-CG 3.26Å; M325-L329 WeakPolarHBondContact O-CG 3.45Å; M325-L329 PolarHBondContact O-N 2.82Å; M325-L329 HydrophobicContact SD-CD1 4.3Å; L329-L332 PolarHBondContact O-N 2.85Å; L329-F333 HydrophobicContact CB-CD2 4.17Å; L329-F333 HydrophobicContact CB-CE2 3.88Å; L329-F333 HydrophobicContact CB-CZ 4.39Å; L329-F333 HydrophobicContact CD2-CE1 4.33Å; L329-F333 HydrophobicContact CD2-CE2 4.02Å; L329-F333 HydrophobicContact CD2-CZ 3.7Å; L329-F333 HydrophobicContact CG-CE2 4.34Å; L329-F333 VanDerWaalsContact O-CB 3.24Å; L329-F333 WeakPolarHBondContact O-CB 3.4Å; L329-F333 VanDerWaalsContact O-CD2 3.27Å; L329-F333 WeakPolarHBondContact O-CD2 3.28Å; L329-F333 WeakPolarHBondContact O-CG 3.34Å; L329-F333 PolarHBondContact O-N 3.24Å; L329-F361 HydrophobicContact CD2-CD1 4.49Å; L329-F361 HydrophobicContact CD2-CE1 3.63Å; L329-F361 HydrophobicContact CD2-CE2 4.26Å; L329-F361 HydrophobicContact CD2-CZ 3.5Å; L329-L364 HydrophobicContact CD1-CD2 4.14Å; L329-L380 HydrophobicContact CD1-CD2 3.84Å; L329-V383 HydrophobicContact CD1-CG1 4.16Å; L329-V383 HydrophobicContact CD2-CG1 4.43Å
330	Q	96.4	Very high	95.1	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.037	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-38.7	175.4	-67	-70.1	13.3	0	0	112.1	F316 N326 A327 I328 S334 Y895	F316-Q330 HydrophobicContact CD2-CG 3.78Å; F316-Q330 HydrophobicContact CE2-CG 3.89Å; N326-Q330 VanDerWaalsContact O-CG 3.25Å; N326-Q330 WeakPolarHBondContact O-CG 3.44Å; N326-Q330 PolarHBondContact O-N 3.18Å; A327-Q330 PolarHBondContact O-N 3.02Å; I328-Q330 PolarHBondContact O-N 2.96Å; Q330-S334 WeakPolarHBondContact O-CB 3.43Å; Q330-S334 PolarHBondContact O-N 2.69Å; Q330-Y895 HydrophobicContact CB-CD1 4.36Å; Q330-Y895 HydrophobicContact CB-CD2 4.21Å; Q330-Y895 HydrophobicContact CB-CG 4.02Å; Q330-Y895 HydrophobicContact CG-CD1 3.77Å; Q330-Y895 HydrophobicContact CG-CD2 4.49Å; Q330-Y895 HydrophobicContact CG-CE1 4.38Å; Q330-Y895 HydrophobicContact CG-CG 3.84Å; Q330-Y895 VanDerWaalsContact NE2-CD1 3.32Å
331	S	97.6	Very high	95.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-56	171.4	-78.4	0	0	0	0	112	A327 I328 F333 S334 S866 V868 S882	A327-S331 PolarHBondContact O-N 3.33Å; A327-S331 VanDerWaalsContact O-N 3.07Å; A327-S331 PolarHBondContact O-OG 2.69Å; I328-S331 WeakPolarHBondContact O-CB 3.3Å; I328-S331 PolarHBondContact O-N 2.87Å; S331-F333 PolarHBondContact O-N 2.87Å; S331-S334 WeakPolarHBondContact O-CB 3.49Å; S331-S334 PolarHBondContact O-N 2.99Å; S331-S334 PolarHBondContact O-OG 3.41Å; S331-S866 PolarHBondContact OG-OG 2.92Å; S331-V868 WeakPolarHBondContact OG-CG2 3.24Å; S331-S882 PolarHBondContact OG-OG 3.06Å
332	L	97.3	Very high	94.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.6	-40.6	-176.1	-70.2	176.2	0	0	0	112.9	I328 L329 S334 L335 F338 F361 L406 L410 M466 F920	I328-L332 HydrophobicContact CG2-CD1 3.82Å; I328-L332 HydrophobicContact CG2-CG 4.3Å; I328-L332 WeakPolarHBondContact O-CG 3.42Å; I328-L332 PolarHBondContact O-N 3.47Å; L329-L332 PolarHBondContact O-N 2.85Å; L332-S334 PolarHBondContact O-N 3.42Å; L332-L335 HydrophobicContact CD2-CD1 4.25Å; L332-L335 WeakPolarHBondContact O-CB 3.29Å; L332-L335 WeakPolarHBondContact O-CG 3.35Å; L332-L335 PolarHBondContact O-N 3.24Å; L332-F338 HydrophobicContact CB-CE1 4.31Å; L332-F361 HydrophobicContact CD1-CE2 4.26Å; L332-L406 HydrophobicContact CD1-CD1 3.96Å; L332-L406 HydrophobicContact CD2-CD1 4.02Å; L332-L406 HydrophobicContact CG-CD1 4.23Å; L332-L410 HydrophobicContact CD2-CD2 4.4Å; L332-M466 HydrophobicContact CD2-CE 3.69Å; L332-F920 HydrophobicContact CD2-CE1 3.99Å; L332-F920 HydrophobicContact CD2-CZ 4.47Å
333	F	95.1	Very high	94.6	Very high	5 Å²	5	8.4 Å²	8.4	2%	0.022	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.4	-178.8	-56.3	-21.3	0	0	0	114.1	F316 L329 S331 F361 L364 M365 K368	F316-F333 HydrophobicContact CE2-CD2 4.15Å; F316-F333 HydrophobicContact CE2-CE2 4.39Å; F316-F333 AromaticContact CZ-CD2 3.97Å; F316-F333 HydrophobicContact CZ-CD2 3.97Å; F316-F333 HydrophobicContact CZ-CE2 4.25Å; L329-F333 HydrophobicContact CB-CD2 4.17Å; L329-F333 HydrophobicContact CB-CE2 3.88Å; L329-F333 HydrophobicContact CB-CZ 4.39Å; L329-F333 HydrophobicContact CD2-CE1 4.33Å; L329-F333 HydrophobicContact CD2-CE2 4.02Å; L329-F333 HydrophobicContact CD2-CZ 3.7Å; L329-F333 HydrophobicContact CG-CE2 4.34Å; L329-F333 VanDerWaalsContact O-CB 3.24Å; L329-F333 WeakPolarHBondContact O-CB 3.4Å; L329-F333 VanDerWaalsContact O-CD2 3.27Å; L329-F333 WeakPolarHBondContact O-CD2 3.28Å; L329-F333 WeakPolarHBondContact O-CG 3.34Å; L329-F333 PolarHBondContact O-N 3.24Å; S331-F333 PolarHBondContact O-N 2.87Å; F333-F361 HydrophobicContact CE1-CB 4.26Å; F333-F361 AromaticContact CE1-CD2 3.61Å; F333-F361 HydrophobicContact CE1-CD2 3.61Å; F333-F361 AromaticContact CE1-CE2 4Å; F333-F361 HydrophobicContact CE1-CE2 4Å; F333-F361 AromaticContact CE1-CG 3.9Å; F333-F361 HydrophobicContact CE1-CG 3.9Å; F333-F361 HydrophobicContact CZ-CB 4.36Å; F333-F361 HydrophobicContact CZ-CD1 4.2Å; F333-F361 HydrophobicContact CZ-CD2 4.1Å; F333-F361 HydrophobicContact CZ-CE2 4.42Å; F333-F361 AromaticContact CZ-CG 3.97Å; F333-F361 HydrophobicContact CZ-CG 3.97Å; F333-L364 HydrophobicContact CE2-CB 4.39Å; F333-L364 HydrophobicContact CE2-CD2 3.68Å; F333-L364 HydrophobicContact CE2-CG 3.8Å; F333-L364 HydrophobicContact CZ-CD2 4.25Å; F333-L364 HydrophobicContact CZ-CG 4.47Å; F333-M365 HydrophobicContact CB-CE 4.46Å; F333-M365 HydrophobicContact CB-CG 4.22Å; F333-M365 HydrophobicContact CD1-CE 3.79Å; F333-M365 HydrophobicContact CD1-CG 3.27Å; F333-M365 HydrophobicContact CD1-SD 3.42Å; F333-M365 WeakPolarHBondContact CD1-SD 3.25Å; F333-M365 HydrophobicContact CD2-CG 3.95Å; F333-M365 HydrophobicContact CE1-CE 4.45Å; F333-M365 HydrophobicContact CE1-CG 3.4Å; F333-M365 VanDerWaalsContact CE1-CG 3.4Å; F333-M365 HydrophobicContact CE1-SD 3.5Å; F333-M365 WeakPolarHBondContact CE1-SD 3.26Å; F333-M365 HydrophobicContact CE2-CG 4.06Å; F333-M365 HydrophobicContact CG-CE 4.4Å; F333-M365 HydrophobicContact CG-CG 3.56Å; F333-M365 HydrophobicContact CG-SD 4.26Å; F333-M365 HydrophobicContact CZ-CG 3.79Å; F333-M365 HydrophobicContact CZ-SD 4.38Å; F333-K368 HydrophobicContact CB-CD 3.96Å; F333-K368 WeakPolarHBondContact O-CE 3.2Å
334	S	93	Very high	93.9	Very high	31 Å²	31	13.9 Å²	13.9	22%	0.217	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-21.5	168.8	75.5	0	0	0	0	113.1	Q330 S331 L332 P336	Q330-S334 WeakPolarHBondContact O-CB 3.43Å; Q330-S334 PolarHBondContact O-N 2.69Å; S331-S334 WeakPolarHBondContact O-CB 3.49Å; S331-S334 PolarHBondContact O-N 2.99Å; S331-S334 PolarHBondContact O-OG 3.41Å; L332-S334 PolarHBondContact O-N 3.42Å; S334-P336 WeakPolarHBondContact O-CD 3.35Å
335	L	94.5	Very high	93	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.			trans	-75	110	-171	-55.8	179	0	0	0	110.5	L332 S337 F338 S339 M466 V545 I865 F920	L332-L335 HydrophobicContact CD2-CD1 4.25Å; L332-L335 WeakPolarHBondContact O-CB 3.29Å; L332-L335 WeakPolarHBondContact O-CG 3.35Å; L332-L335 PolarHBondContact O-N 3.24Å; L335-S337 PolarHBondContact O-N 2.82Å; L335-F338 HydrophobicContact CB-CB 3.88Å; L335-F338 HydrophobicContact CD1-CB 4.38Å; L335-S339 VanDerWaalsContact O-CB 3.31Å; L335-S339 WeakPolarHBondContact O-CB 3.37Å; L335-S339 PolarHBondContact O-N 3.3Å; L335-S339 PolarHBondContact O-OG 2.9Å; L335-M466 HydrophobicContact CD1-CE 3.23Å; L335-V545 HydrophobicContact CD2-CG2 4.48Å; L335-I865 HydrophobicContact CD2-CD1 3.32Å; L335-F920 HydrophobicContact CD1-CD1 4.5Å
336	P	91.7	Very high	91.9	Very high	20 Å²	20	18.4 Å²	18.4	13%	0.13	10%	0.103	C	C	.	.	H	α-helix	trans	-68.8	-36.1	-171.8	-20.6	33.9	0	0	0	112.3	S334 S339 N340 M887 L930	S334-P336 WeakPolarHBondContact O-CD 3.35Å; P336-S339 PolarHBondContact O-N 3.32Å; P336-N340 WeakPolarHBondContact O-CB 3.42Å; P336-N340 VanDerWaalsContact O-CG 3.29Å; P336-N340 PolarHBondContact O-N 3.5Å; P336-N340 PolarHBondContact O-ND2 2.96Å; P336-M887 HydrophobicContact CG-CB 4.2Å; P336-L930 HydrophobicContact CB-CD1 4.16Å; P336-L930 HydrophobicContact CB-CD2 4.19Å; P336-L930 HydrophobicContact CG-CD1 4.34Å
337	S	92.1	Very high	91	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-48.7	178.4	57.4	0	0	0	0	112.4	L335 S339 N340 D341 N465	L335-S337 PolarHBondContact O-N 2.82Å; S337-S339 VanDerWaalsContact C-N 3.3Å; S337-S339 PolarHBondContact O-N 2.77Å; S337-N340 PolarHBondContact O-N 3.4Å; S337-D341 WeakPolarHBondContact O-CB 3.37Å; S337-D341 PolarHBondContact O-N 2.67Å; S337-N465 WeakPolarHBondContact CB-OD1 3.34Å; S337-N465 PolarHBondContact OG-OD1 2.75Å
338	F	93.8	Very high	90.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.1	-38.5	174.9	175.7	-99.2	0	0	0	112.1	L332 L335 M342 M365 L413 P461 V462 N465	L332-F338 HydrophobicContact CB-CE1 4.31Å; L335-F338 HydrophobicContact CB-CB 3.88Å; L335-F338 HydrophobicContact CD1-CB 4.38Å; F338-M342 HydrophobicContact CE1-CE 3.88Å; F338-M342 HydrophobicContact CE2-CE 4.07Å; F338-M342 HydrophobicContact CZ-CE 3.48Å; F338-M342 VanDerWaalsContact CZ-CE 3.48Å; F338-M342 WeakPolarHBondContact O-CB 3.4Å; F338-M342 PolarHBondContact O-N 2.63Å; F338-M365 HydrophobicContact CD1-CE 4.35Å; F338-M365 HydrophobicContact CE1-CE 4.47Å; F338-L413 HydrophobicContact CE2-CD1 4.2Å; F338-L413 HydrophobicContact CZ-CD1 3.77Å; F338-P461 HydrophobicContact CD2-CB 3.75Å; F338-P461 HydrophobicContact CE2-CB 3.85Å; F338-V462 HydrophobicContact CE2-CG2 4.24Å; F338-N465 HydrophobicContact CB-CB 4.41Å; F338-N465 PolarHBondContact N-OD1 3.12Å
339	S	92.7	Very high	89.6	Confident	23 Å²	23	24.1 Å²	24.1	16%	0.161	13%	0.132	C	C	.	.	H	α-helix	trans	-67.6	-45.4	176.6	-55.6	0	0	0	0	112.6	L335 P336 S337 M342 L343 M365	L335-S339 VanDerWaalsContact O-CB 3.31Å; L335-S339 WeakPolarHBondContact O-CB 3.37Å; L335-S339 PolarHBondContact O-N 3.3Å; L335-S339 PolarHBondContact O-OG 2.9Å; P336-S339 PolarHBondContact O-N 3.32Å; S337-S339 VanDerWaalsContact C-N 3.3Å; S337-S339 PolarHBondContact O-N 2.77Å; S339-M342 PolarHBondContact O-N 2.64Å; S339-L343 WeakPolarHBondContact O-CB 3.47Å; S339-L343 WeakPolarHBondContact O-CG 3.32Å; S339-L343 PolarHBondContact O-N 2.77Å; S339-M365 WeakPolarHBondContact OG-CE 3.39Å
340	N	90.4	Very high	88.8	Confident	39 Å²	39	31.6 Å²	31.6	21%	0.209	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-46.1	173.7	-76.1	-56.8	0	0	0	110.8	P336 S337 M342 L343 K344	P336-N340 WeakPolarHBondContact O-CB 3.42Å; P336-N340 VanDerWaalsContact O-CG 3.29Å; P336-N340 PolarHBondContact O-N 3.5Å; P336-N340 PolarHBondContact O-ND2 2.96Å; S337-N340 PolarHBondContact O-N 3.4Å; N340-M342 VanDerWaalsContact C-N 3.27Å; N340-M342 PolarHBondContact O-N 2.86Å; N340-L343 PolarHBondContact O-N 3.26Å; N340-K344 HydrophobicContact CB-CD 4.26Å; N340-K344 VanDerWaalsContact O-CB 3.3Å; N340-K344 WeakPolarHBondContact O-CB 3.23Å; N340-K344 PolarHBondContact O-N 2.98Å; N340-K344 WeakPolarHBondContact OD1-CD 3.44Å; N340-K344 WeakPolarHBondContact OD1-CE 3.23Å; N340-K344 PolarHBondContact OD1-NZ 2.93Å
341	D	90	Very high	88.1	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-31.7	179.5	-66.4	-14.7	0	0	0	112.2	S337 Q345 P461 N465 R544 W593	S337-D341 WeakPolarHBondContact O-CB 3.37Å; S337-D341 PolarHBondContact O-N 2.67Å; D341-Q345 WeakPolarHBondContact O-CG 3.28Å; D341-Q345 PolarHBondContact O-NE2 2.95Å; D341-P461 HydrophobicContact CB-CB 4.1Å; D341-P461 HydrophobicContact CB-CG 4.36Å; D341-N465 PolarHBondContact OD2-ND2 2.8Å; D341-R544 IonicContact OD1-NH1 3.71Å; D341-R544 IonicContact OD2-CZ 3.45Å; D341-R544 IonicContact OD2-NH1 3.85Å; D341-R544 PolarHBondContact OD2-NH1 2.93Å; D341-W593 PolarHBondContact OD1-NE1 2.75Å
342	M	89.7	Confident	87.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-80.8	-32.6	176.1	-170.7	171.1	-64.1	0	0	113.9	F338 S339 N340 L358 F361 A362 M365 L413 P461	F338-M342 HydrophobicContact CE1-CE 3.88Å; F338-M342 HydrophobicContact CE2-CE 4.07Å; F338-M342 HydrophobicContact CZ-CE 3.48Å; F338-M342 VanDerWaalsContact CZ-CE 3.48Å; F338-M342 WeakPolarHBondContact O-CB 3.4Å; F338-M342 PolarHBondContact O-N 2.63Å; S339-M342 PolarHBondContact O-N 2.64Å; N340-M342 VanDerWaalsContact C-N 3.27Å; N340-M342 PolarHBondContact O-N 2.86Å; M342-L358 HydrophobicContact CE-CD1 3.91Å; M342-L358 HydrophobicContact CG-CD1 3.97Å; M342-L358 HydrophobicContact SD-CD1 4.1Å; M342-F361 HydrophobicContact CE-CB 4.37Å; M342-F361 HydrophobicContact CE-CD2 4.23Å; M342-F361 HydrophobicContact SD-CB 3.73Å; M342-A362 HydrophobicContact CG-CB 4.38Å; M342-A362 HydrophobicContact SD-CB 4.43Å; M342-M365 HydrophobicContact SD-SD 3.69Å; M342-M365 VanDerWaalsContact SD-SD 3.69Å; M342-L413 HydrophobicContact CE-CD1 4.01Å; M342-L413 HydrophobicContact CE-CD2 3.99Å; M342-P461 HydrophobicContact CB-CG 4.15Å; M342-P461 HydrophobicContact CE-CG 4.42Å
343	L	88.7	Confident	87.1	Confident	37 Å²	37	41.1 Å²	41.1	19%	0.194	22%	0.215	C	C	.	.	H	α-helix	trans	-103.3	-25.3	-170.5	-62.7	176.8	0	0	0	114.9	S339 N340 A362 M365 V366	S339-L343 WeakPolarHBondContact O-CB 3.47Å; S339-L343 WeakPolarHBondContact O-CG 3.32Å; S339-L343 PolarHBondContact O-N 2.77Å; N340-L343 PolarHBondContact O-N 3.26Å; L343-A362 HydrophobicContact CD2-CB 3.8Å; L343-M365 HydrophobicContact CD1-CB 4.38Å; L343-V366 HydrophobicContact CD1-CG2 4.15Å; L343-V366 HydrophobicContact CD2-CG2 3.83Å
344	K	82.6	Confident	86.7	Confident	117 Å²	117	44.2 Å²	44.2	51%	0.509	23%	0.234	S	C	.	.	S	Bend	trans	-101.3	-7.5	-176.1	-64.7	-176.7	171.8	166.6	0	114.4	N340 W593	N340-K344 HydrophobicContact CB-CD 4.26Å; N340-K344 VanDerWaalsContact O-CB 3.3Å; N340-K344 WeakPolarHBondContact O-CB 3.23Å; N340-K344 PolarHBondContact O-N 2.98Å; N340-K344 WeakPolarHBondContact OD1-CD 3.44Å; N340-K344 WeakPolarHBondContact OD1-CE 3.23Å; N340-K344 PolarHBondContact OD1-NZ 2.93Å; K344-W593 HydrophobicContact CB-CD2 4.4Å; K344-W593 HydrophobicContact CB-CE3 4Å; K344-W593 HydrophobicContact CB-CH2 3.67Å; K344-W593 HydrophobicContact CB-CZ2 4.07Å; K344-W593 HydrophobicContact CB-CZ3 3.61Å; K344-W593 VanDerWaalsContact O-CH2 3.25Å; K344-W593 WeakPolarHBondContact O-CH2 3.23Å; K344-W593 WeakPolarHBondContact O-CZ3 3.44Å
345	Q	77.4	Confident	86.5	Confident	25 Å²	25	47.9 Å²	47.9	12%	0.117	25%	0.251	C	S	.	.	S	Bend	trans	-65.2	138.2	161.6	-74.3	-174.3	72.3	0	0	108.7	D341 I347 T459 W593	D341-Q345 WeakPolarHBondContact O-CG 3.28Å; D341-Q345 PolarHBondContact O-NE2 2.95Å; Q345-I347 HydrophobicContact CB-CD1 4.03Å; Q345-I347 HydrophobicContact CB-CG1 3.78Å; Q345-I347 PolarHBondContact O-N 3.42Å; Q345-T459 PolarHBondContact NE2-O 2.95Å; Q345-T459 PolarHBondContact OE1-O 3.08Å; Q345-W593 HydrophobicContact CG-CH2 4.04Å; Q345-W593 HydrophobicContact CG-CZ2 4.16Å
346	S	74.7	Confident	86.5	Confident	71 Å²	71	48.4 Å²	48.4	50%	0.497	26%	0.255	S	S	.	.			trans	-72.4	51	178.1	52.8	0	0	0	0	111.9	T348	S346-T348 PolarHBondContact O-N 3.39Å
347	I	78.6	Confident	86.7	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.062	25%	0.249	C	C	.	.			trans	-67	119.5	-178	-63.7	170.4	0	0	0	108.3	Q345 W349 V352 M420 Y458	Q345-I347 HydrophobicContact CB-CD1 4.03Å; Q345-I347 HydrophobicContact CB-CG1 3.78Å; Q345-I347 PolarHBondContact O-N 3.42Å; I347-W349 HydrophobicContact CB-CD2 4.3Å; I347-W349 HydrophobicContact CB-CH2 4.4Å; I347-W349 HydrophobicContact CB-CZ2 4Å; I347-W349 HydrophobicContact CD1-CH2 3.85Å; I347-W349 HydrophobicContact CD1-CZ2 3.92Å; I347-W349 HydrophobicContact CG2-CD2 3.88Å; I347-W349 HydrophobicContact CG2-CE3 3.87Å; I347-W349 HydrophobicContact CG2-CG 4.46Å; I347-W349 HydrophobicContact CG2-CH2 4.16Å; I347-W349 HydrophobicContact CG2-CZ2 4.16Å; I347-W349 HydrophobicContact CG2-CZ3 4.02Å; I347-W349 PolarHBondContact O-N 3.19Å; I347-V352 HydrophobicContact CG2-CG2 3.63Å; I347-M420 HydrophobicContact CG2-CE 4.5Å; I347-M420 HydrophobicContact CG2-SD 4.25Å; I347-Y458 HydrophobicContact CB-CE1 4.21Å; I347-Y458 HydrophobicContact CG1-CD1 3.85Å; I347-Y458 HydrophobicContact CG1-CE1 3.85Å
348	T	82.3	Confident	86.8	Confident	68 Å²	68	47.5 Å²	47.5	42%	0.417	25%	0.249	S	C	.	.			trans	-69.1	80.4	172.8	-39.5	0	0	0	0	109.7	S346 K350 K351 Y458	S346-T348 PolarHBondContact O-N 3.39Å; T348-K350 PolarHBondContact O-N 2.85Å; T348-K351 HydrophobicContact CG2-CG 4.31Å; T348-K351 PolarHBondContact O-N 2.94Å; T348-Y458 PolarHBondContact N-OH 3.01Å; T348-Y458 VanDerWaalsContact N-OH 3.08Å; T348-Y458 PolarHBondContact OG1-OH 3.45Å
349	W	84.4	Confident	86.8	Confident	47 Å²	47	48.8 Å²	48.8	18%	0.178	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-22	-175.1	-65.1	109.7	0	0	0	114.1	I347 V352 L358 R359 A362	I347-W349 HydrophobicContact CB-CD2 4.3Å; I347-W349 HydrophobicContact CB-CH2 4.4Å; I347-W349 HydrophobicContact CB-CZ2 4Å; I347-W349 HydrophobicContact CD1-CH2 3.85Å; I347-W349 HydrophobicContact CD1-CZ2 3.92Å; I347-W349 HydrophobicContact CG2-CD2 3.88Å; I347-W349 HydrophobicContact CG2-CE3 3.87Å; I347-W349 HydrophobicContact CG2-CG 4.46Å; I347-W349 HydrophobicContact CG2-CH2 4.16Å; I347-W349 HydrophobicContact CG2-CZ2 4.16Å; I347-W349 HydrophobicContact CG2-CZ3 4.02Å; I347-W349 PolarHBondContact O-N 3.19Å; W349-V352 HydrophobicContact CE3-CB 4.35Å; W349-V352 HydrophobicContact CE3-CG2 4.01Å; W349-V352 PolarHBondContact O-N 3.5Å; W349-L358 HydrophobicContact CH2-CG 4.37Å; W349-L358 HydrophobicContact CZ3-CG 4.21Å; W349-R359 HydrophobicContact CE3-CB 4.29Å; W349-R359 HydrophobicContact CE3-CG 4.05Å; W349-R359 HydrophobicContact CZ3-CB 4.27Å; W349-R359 HydrophobicContact CZ3-CG 4.48Å; W349-R359 PolarHBondContact O-NH1 2.95Å; W349-R359 VanDerWaalsContact O-NH1 3.11Å; W349-A362 HydrophobicContact CH2-CB 3.46Å; W349-A362 VanDerWaalsContact CH2-CB 3.46Å; W349-A362 HydrophobicContact CZ2-CB 3.86Å; W349-A362 HydrophobicContact CZ3-CB 4.02Å
350	K	81	Confident	86.9	Confident	158 Å²	158	48.5 Å²	48.5	69%	0.687	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-35.6	171.5	-60.4	-170.8	177.5	-170.7	0	113.1	T348 E690	T348-K350 PolarHBondContact O-N 2.85Å; K350-E690 IonicContact NZ-OE2 3.27Å; K350-E690 PolarHBondContact NZ-OE2 2.79Å
351	K	83.1	Confident	87.2	Confident	118 Å²	118	46.7 Å²	46.7	51%	0.513	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.1	174.4	-72.1	-166.8	175.9	-173.6	0	113.8	T348 D427	T348-K351 HydrophobicContact CG2-CG 4.31Å; T348-K351 PolarHBondContact O-N 2.94Å; K351-D427 IonicContact NZ-OD2 2.75Å; K351-D427 PolarHBondContact NZ-OD2 2.99Å
352	V	85.2	Confident	87.4	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.018	24%	0.241	C	C	.	.	S	Bend	trans	-80.3	124.6	-175.3	-169.3	0	0	0	0	109.8	I347 W349 V354 A356 R359 M420	I347-V352 HydrophobicContact CG2-CG2 3.63Å; W349-V352 HydrophobicContact CE3-CB 4.35Å; W349-V352 HydrophobicContact CE3-CG2 4.01Å; W349-V352 PolarHBondContact O-N 3.5Å; V352-V354 PolarHBondContact O-N 3.02Å; V352-A356 HydrophobicContact CG1-CB 3.98Å; V352-R359 HydrophobicContact CG1-CB 3.97Å; V352-R359 PolarHBondContact O-NH1 2.94Å; V352-M420 HydrophobicContact CB-SD 4.34Å; V352-M420 HydrophobicContact CG1-SD 4.11Å; V352-M420 HydrophobicContact CG2-SD 3.47Å; V352-M420 WeakPolarHBondContact CG2-SD 3.39Å
353	P	88.2	Confident	87.5	Confident	87 Å²	87	47.7 Å²	47.7	57%	0.565	25%	0.245	S	C	*	.			trans	-52.8	137	-177.5	-27.5	34.4	0	0	0	112.4	N355 A356	P353-N355 PolarHBondContact O-N 2.78Å; P353-N355 VanDerWaalsContact O-N 3.09Å; P353-A356 HydrophobicContact CB-CB 4.21Å; P353-A356 WeakPolarHBondContact O-CB 3.34Å; P353-A356 PolarHBondContact O-N 3.11Å
354	V	86.9	Confident	87.9	Confident	69 Å²	69	46 Å²	46	42%	0.418	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34	-172.8	172.7	0	0	0	0	112.3	V352 R360	V352-V354 PolarHBondContact O-N 3.02Å; V354-R360 PolarHBondContact O-NE 3.39Å; V354-R360 PolarHBondContact O-NH1 3.45Å; V354-R360 PolarHBondContact O-NH2 3.19Å
355	N	88.9	Confident	88.3	Confident	109 Å²	109	40.9 Å²	40.9	58%	0.583	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	3.2	178.5	-68.7	-30.1	0	0	0	115	P353 L357 R360 A386	P353-N355 PolarHBondContact O-N 2.78Å; P353-N355 VanDerWaalsContact O-N 3.09Å; N355-L357 PolarHBondContact O-N 3.24Å; N355-R360 PolarHBondContact OD1-NH2 3.09Å; N355-A386 WeakPolarHBondContact O-CB 3.16Å
356	A	93.8	Very high	89	Confident	10 Å²	10	41.5 Å²	41.5	8%	0.083	22%	0.22	C	C	.	.			trans	-60.2	136.7	174.8	0	0	0	0	0	110.6	V352 P353 L358 R359 R360	V352-A356 HydrophobicContact CG1-CB 3.98Å; P353-A356 HydrophobicContact CB-CB 4.21Å; P353-A356 WeakPolarHBondContact O-CB 3.34Å; P353-A356 PolarHBondContact O-N 3.11Å; A356-L358 VanDerWaalsContact C-N 3.25Å; A356-L358 PolarHBondContact O-N 3.08Å; A356-R359 PolarHBondContact O-N 3.44Å; A356-R359 VanDerWaalsContact O-N 3.16Å; A356-R360 PolarHBondContact O-N 3.27Å; A356-R360 VanDerWaalsContact O-N 3.12Å
357	L	96.3	Very high	89.7	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-40.5	-179.5	-174.3	69.4	0	0	0	111	N355 R359 R360 F361 V383 A386 I387 C409 Q412 L413 D416	N355-L357 PolarHBondContact O-N 3.24Å; L357-R359 VanDerWaalsContact C-N 3.3Å; L357-R359 PolarHBondContact O-N 3Å; L357-R360 PolarHBondContact O-N 3.24Å; L357-R360 VanDerWaalsContact O-N 3.14Å; L357-F361 HydrophobicContact CD1-CD1 3.7Å; L357-F361 HydrophobicContact CD1-CE1 3.48Å; L357-F361 VanDerWaalsContact CD1-CE1 3.48Å; L357-F361 HydrophobicContact CD1-CZ 4.34Å; L357-F361 HydrophobicContact CD2-CE1 4.21Å; L357-F361 HydrophobicContact CD2-CZ 4.31Å; L357-F361 HydrophobicContact CG-CD1 3.85Å; L357-F361 HydrophobicContact CG-CE1 3.82Å; L357-F361 HydrophobicContact CG-CG 4.44Å; L357-F361 HydrophobicContact CG-CZ 4.37Å; L357-F361 WeakPolarHBondContact O-CB 3.45Å; L357-F361 PolarHBondContact O-N 3.48Å; L357-V383 HydrophobicContact CD1-CG1 4.4Å; L357-A386 HydrophobicContact CD1-CB 4.06Å; L357-I387 HydrophobicContact CD1-CD1 3.67Å; L357-I387 HydrophobicContact CD1-CG1 3.76Å; L357-I387 HydrophobicContact CD2-CD1 3.53Å; L357-I387 HydrophobicContact CG-CD1 4.23Å; L357-C409 HydrophobicContact CD2-CB 4.33Å; L357-Q412 HydrophobicContact CB-CG 3.66Å; L357-Q412 HydrophobicContact CD2-CB 3.67Å; L357-Q412 HydrophobicContact CD2-CG 3.67Å; L357-Q412 HydrophobicContact CG-CG 4.3Å; L357-L413 HydrophobicContact CD2-CD2 4.22Å; L357-L413 HydrophobicContact CD2-CG 4.02Å; L357-L413 HydrophobicContact CG-CD2 4.25Å; L357-D416 WeakPolarHBondContact CA-OD2 3.48Å; L357-D416 WeakPolarHBondContact CB-OD2 3.18Å; L357-D416 PolarHBondContact N-OD2 3.29Å
358	L	94.4	Very high	90.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-52.8	-46	176.4	-177.1	68.2	0	0	0	112.3	M342 W349 A356 A362 L413 D416 V417 M420	M342-L358 HydrophobicContact CE-CD1 3.91Å; M342-L358 HydrophobicContact CG-CD1 3.97Å; M342-L358 HydrophobicContact SD-CD1 4.1Å; W349-L358 HydrophobicContact CH2-CG 4.37Å; W349-L358 HydrophobicContact CZ3-CG 4.21Å; A356-L358 VanDerWaalsContact C-N 3.25Å; A356-L358 PolarHBondContact O-N 3.08Å; L358-A362 WeakPolarHBondContact O-CB 3.47Å; L358-A362 PolarHBondContact O-N 2.74Å; L358-L413 HydrophobicContact CB-CD2 4.05Å; L358-L413 HydrophobicContact CD1-CD2 3.98Å; L358-D416 HydrophobicContact CB-CB 4.03Å; L358-D416 PolarHBondContact N-OD2 3.08Å; L358-V417 HydrophobicContact CD1-CG2 4.34Å; L358-V417 HydrophobicContact CD2-CG2 3.84Å; L358-M420 HydrophobicContact CD2-CE 3.34Å; L358-M420 HydrophobicContact CD2-SD 3.95Å
359	R	93.3	Very high	90.4	Very high	26 Å²	26	41.4 Å²	41.4	10%	0.098	21%	0.208	C	C	.	.	H	α-helix	trans	-71.9	-35.9	179.6	-167.7	172.4	-179.1	-180	-3.7	111.9	W349 V352 A356 L357 H363 M691	W349-R359 HydrophobicContact CE3-CB 4.29Å; W349-R359 HydrophobicContact CE3-CG 4.05Å; W349-R359 HydrophobicContact CZ3-CB 4.27Å; W349-R359 HydrophobicContact CZ3-CG 4.48Å; W349-R359 PolarHBondContact O-NH1 2.95Å; W349-R359 VanDerWaalsContact O-NH1 3.11Å; V352-R359 HydrophobicContact CG1-CB 3.97Å; V352-R359 PolarHBondContact O-NH1 2.94Å; A356-R359 PolarHBondContact O-N 3.44Å; A356-R359 VanDerWaalsContact O-N 3.16Å; L357-R359 VanDerWaalsContact C-N 3.3Å; L357-R359 PolarHBondContact O-N 3Å; R359-H363 WeakPolarHBondContact O-CB 3.27Å; R359-H363 PolarHBondContact O-N 2.98Å; R359-H363 VanDerWaalsContact O-N 3.15Å; R359-M691 PolarHBondContact NH2-SD 3.41Å
360	R	95.8	Very high	90.5	Very high	18 Å²	18	45 Å²	45	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-37.1	175.8	-59.5	-48.6	-164.1	-171.9	-0.2	112.4	V354 N355 A356 L357 L364 V383 A386 E695	V354-R360 PolarHBondContact O-NE 3.39Å; V354-R360 PolarHBondContact O-NH1 3.45Å; V354-R360 PolarHBondContact O-NH2 3.19Å; N355-R360 PolarHBondContact OD1-NH2 3.09Å; A356-R360 PolarHBondContact O-N 3.27Å; A356-R360 VanDerWaalsContact O-N 3.12Å; L357-R360 PolarHBondContact O-N 3.24Å; L357-R360 VanDerWaalsContact O-N 3.14Å; R360-L364 WeakPolarHBondContact O-CB 3.31Å; R360-L364 PolarHBondContact O-N 3.29Å; R360-L364 VanDerWaalsContact O-N 3.1Å; R360-V383 HydrophobicContact CB-CG2 3.8Å; R360-A386 HydrophobicContact CG-CB 4.3Å; R360-E695 IonicContact NH1-OE1 2.87Å
361	F	96.3	Very high	90.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-55.7	172.6	-91	32.4	0	0	0	110.6	L329 L332 F333 M342 L357 H363 L364 M365 V383 C409 L413	L329-F361 HydrophobicContact CD2-CD1 4.49Å; L329-F361 HydrophobicContact CD2-CE1 3.63Å; L329-F361 HydrophobicContact CD2-CE2 4.26Å; L329-F361 HydrophobicContact CD2-CZ 3.5Å; L332-F361 HydrophobicContact CD1-CE2 4.26Å; F333-F361 HydrophobicContact CE1-CB 4.26Å; F333-F361 AromaticContact CE1-CD2 3.61Å; F333-F361 HydrophobicContact CE1-CD2 3.61Å; F333-F361 AromaticContact CE1-CE2 4Å; F333-F361 HydrophobicContact CE1-CE2 4Å; F333-F361 AromaticContact CE1-CG 3.9Å; F333-F361 HydrophobicContact CE1-CG 3.9Å; F333-F361 HydrophobicContact CZ-CB 4.36Å; F333-F361 HydrophobicContact CZ-CD1 4.2Å; F333-F361 HydrophobicContact CZ-CD2 4.1Å; F333-F361 HydrophobicContact CZ-CE2 4.42Å; F333-F361 AromaticContact CZ-CG 3.97Å; F333-F361 HydrophobicContact CZ-CG 3.97Å; M342-F361 HydrophobicContact CE-CB 4.37Å; M342-F361 HydrophobicContact CE-CD2 4.23Å; M342-F361 HydrophobicContact SD-CB 3.73Å; L357-F361 HydrophobicContact CD1-CD1 3.7Å; L357-F361 HydrophobicContact CD1-CE1 3.48Å; L357-F361 VanDerWaalsContact CD1-CE1 3.48Å; L357-F361 HydrophobicContact CD1-CZ 4.34Å; L357-F361 HydrophobicContact CD2-CE1 4.21Å; L357-F361 HydrophobicContact CD2-CZ 4.31Å; L357-F361 HydrophobicContact CG-CD1 3.85Å; L357-F361 HydrophobicContact CG-CE1 3.82Å; L357-F361 HydrophobicContact CG-CG 4.44Å; L357-F361 HydrophobicContact CG-CZ 4.37Å; L357-F361 WeakPolarHBondContact O-CB 3.45Å; L357-F361 PolarHBondContact O-N 3.48Å; F361-H363 VanDerWaalsContact C-N 3.3Å; F361-H363 PolarHBondContact O-N 2.87Å; F361-L364 PolarHBondContact O-N 2.75Å; F361-L364 VanDerWaalsContact O-N 3.11Å; F361-M365 WeakPolarHBondContact O-CB 3.49Å; F361-M365 VanDerWaalsContact O-CG 3.23Å; F361-M365 WeakPolarHBondContact O-CG 3.5Å; F361-M365 PolarHBondContact O-N 3.49Å; F361-V383 HydrophobicContact CD1-CG1 4.19Å; F361-V383 HydrophobicContact CD1-CG2 4.14Å; F361-V383 HydrophobicContact CE1-CG1 3.76Å; F361-C409 HydrophobicContact CZ-CB 4.02Å; F361-L413 HydrophobicContact CD2-CD1 3.86Å; F361-L413 HydrophobicContact CD2-CD2 4.19Å; F361-L413 HydrophobicContact CD2-CG 4.48Å; F361-L413 HydrophobicContact CE2-CD1 3.81Å
362	A	93.9	Very high	91	Very high	6 Å²	6	35.4 Å²	35.4	5%	0.05	20%	0.203	C	C	.	.	H	α-helix	trans	-54.1	-44.9	179.2	0	0	0	0	0	112.7	M342 L343 W349 L358 L364 M365 V366	M342-A362 HydrophobicContact CG-CB 4.38Å; M342-A362 HydrophobicContact SD-CB 4.43Å; L343-A362 HydrophobicContact CD2-CB 3.8Å; W349-A362 HydrophobicContact CH2-CB 3.46Å; W349-A362 VanDerWaalsContact CH2-CB 3.46Å; W349-A362 HydrophobicContact CZ2-CB 3.86Å; W349-A362 HydrophobicContact CZ3-CB 4.02Å; L358-A362 WeakPolarHBondContact O-CB 3.47Å; L358-A362 PolarHBondContact O-N 2.74Å; A362-L364 PolarHBondContact O-N 2.78Å; A362-M365 PolarHBondContact O-N 2.84Å; A362-V366 WeakPolarHBondContact O-CG2 3.18Å; A362-V366 PolarHBondContact O-N 2.87Å; A362-V366 VanDerWaalsContact O-N 3.08Å
363	H	92.8	Very high	91.1	Very high	19 Å²	19	38.3 Å²	38.3	9%	0.088	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-39.9	178.4	-168.1	-170.2	0	0	0	113.2	R359 F361 K367 L379 V688	R359-H363 WeakPolarHBondContact O-CB 3.27Å; R359-H363 PolarHBondContact O-N 2.98Å; R359-H363 VanDerWaalsContact O-N 3.15Å; F361-H363 VanDerWaalsContact C-N 3.3Å; F361-H363 PolarHBondContact O-N 2.87Å; H363-K367 WeakPolarHBondContact NE2-CE 3.42Å; H363-K367 PolarHBondContact NE2-NZ 2.63Å; H363-K367 PolarHBondContact O-N 2.85Å; H363-L379 HydrophobicContact CB-CD2 4.39Å; H363-L379 VanDerWaalsContact ND1-CD2 3.3Å; H363-L379 WeakPolarHBondContact ND1-CD2 3.29Å; H363-V688 VanDerWaalsContact CD2-CG1 3.41Å; H363-V688 WeakPolarHBondContact CD2-CG1 3.43Å; H363-V688 WeakPolarHBondContact NE2-CG1 3.45Å
364	L	95.1	Very high	91.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-40.1	174.7	178.7	55.2	0	0	0	111.5	F316 L329 F333 R360 F361 A362 K367 K368 L379 L380 V383	F316-L364 HydrophobicContact CE1-CD1 3.95Å; F316-L364 HydrophobicContact CZ-CD1 4.29Å; F316-L364 HydrophobicContact CZ-CD2 4.44Å; F316-L364 HydrophobicContact CZ-CG 4.36Å; L329-L364 HydrophobicContact CD1-CD2 4.14Å; F333-L364 HydrophobicContact CE2-CB 4.39Å; F333-L364 HydrophobicContact CE2-CD2 3.68Å; F333-L364 HydrophobicContact CE2-CG 3.8Å; F333-L364 HydrophobicContact CZ-CD2 4.25Å; F333-L364 HydrophobicContact CZ-CG 4.47Å; R360-L364 WeakPolarHBondContact O-CB 3.31Å; R360-L364 PolarHBondContact O-N 3.29Å; R360-L364 VanDerWaalsContact O-N 3.1Å; F361-L364 PolarHBondContact O-N 2.75Å; F361-L364 VanDerWaalsContact O-N 3.11Å; A362-L364 PolarHBondContact O-N 2.78Å; L364-K367 CarbonylContact O-C 3.41Å; L364-K367 PolarHBondContact O-N 3.42Å; L364-K368 WeakPolarHBondContact O-CA 3.24Å; L364-K368 WeakPolarHBondContact O-CB 3.45Å; L364-K368 PolarHBondContact O-N 2.73Å; L364-L379 HydrophobicContact CB-CB 4.32Å; L364-L379 HydrophobicContact CD1-CB 3.8Å; L364-L379 HydrophobicContact CD1-CD1 4.31Å; L364-L380 HydrophobicContact CD1-CG 4.49Å; L364-L380 HydrophobicContact CD2-CD2 3.75Å; L364-L380 HydrophobicContact CD2-CG 4.3Å; L364-V383 HydrophobicContact CB-CG2 4.47Å; L364-V383 HydrophobicContact CD2-CG2 3.92Å
365	M	92.8	Very high	91.5	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.049	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-48.4	179.8	-71.9	173	79.2	0	0	112.3	F333 F338 S339 M342 L343 F361 A362 K367 K368	F333-M365 HydrophobicContact CB-CE 4.46Å; F333-M365 HydrophobicContact CB-CG 4.22Å; F333-M365 HydrophobicContact CD1-CE 3.79Å; F333-M365 HydrophobicContact CD1-CG 3.27Å; F333-M365 HydrophobicContact CD1-SD 3.42Å; F333-M365 WeakPolarHBondContact CD1-SD 3.25Å; F333-M365 HydrophobicContact CD2-CG 3.95Å; F333-M365 HydrophobicContact CE1-CE 4.45Å; F333-M365 HydrophobicContact CE1-CG 3.4Å; F333-M365 VanDerWaalsContact CE1-CG 3.4Å; F333-M365 HydrophobicContact CE1-SD 3.5Å; F333-M365 WeakPolarHBondContact CE1-SD 3.26Å; F333-M365 HydrophobicContact CE2-CG 4.06Å; F333-M365 HydrophobicContact CG-CE 4.4Å; F333-M365 HydrophobicContact CG-CG 3.56Å; F333-M365 HydrophobicContact CG-SD 4.26Å; F333-M365 HydrophobicContact CZ-CG 3.79Å; F333-M365 HydrophobicContact CZ-SD 4.38Å; F338-M365 HydrophobicContact CD1-CE 4.35Å; F338-M365 HydrophobicContact CE1-CE 4.47Å; S339-M365 WeakPolarHBondContact OG-CE 3.39Å; M342-M365 HydrophobicContact SD-SD 3.69Å; M342-M365 VanDerWaalsContact SD-SD 3.69Å; L343-M365 HydrophobicContact CD1-CB 4.38Å; F361-M365 WeakPolarHBondContact O-CB 3.49Å; F361-M365 VanDerWaalsContact O-CG 3.23Å; F361-M365 WeakPolarHBondContact O-CG 3.5Å; F361-M365 PolarHBondContact O-N 3.49Å; A362-M365 PolarHBondContact O-N 2.84Å; M365-K367 VanDerWaalsContact C-N 3.28Å; M365-K367 PolarHBondContact O-N 2.72Å; M365-K368 WeakPolarHBondContact O-CG 3.43Å; M365-K368 PolarHBondContact O-N 3.13Å
366	V	90.8	Very high	91.6	Very high	38 Å²	38	34.8 Å²	34.8	23%	0.23	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-38.4	176.1	173.5	0	0	0	0	111.4	L343 A362 M684 L685	L343-V366 HydrophobicContact CD1-CG2 4.15Å; L343-V366 HydrophobicContact CD2-CG2 3.83Å; A362-V366 WeakPolarHBondContact O-CG2 3.18Å; A362-V366 PolarHBondContact O-N 2.87Å; A362-V366 VanDerWaalsContact O-N 3.08Å; V366-M684 HydrophobicContact CG2-SD 3.96Å; V366-L685 HydrophobicContact CG1-CD1 4.33Å
367	K	90.7	Very high	91.7	Very high	36 Å²	36	39 Å²	39	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-90.7	-3.7	-176.3	-71.4	-171.9	177.3	-172.3	0	114.7	H363 L364 M365 D369 V370 A371 T375 K376 L379	H363-K367 WeakPolarHBondContact NE2-CE 3.42Å; H363-K367 PolarHBondContact NE2-NZ 2.63Å; H363-K367 PolarHBondContact O-N 2.85Å; L364-K367 CarbonylContact O-C 3.41Å; L364-K367 PolarHBondContact O-N 3.42Å; M365-K367 VanDerWaalsContact C-N 3.28Å; M365-K367 PolarHBondContact O-N 2.72Å; K367-D369 VanDerWaalsContact C-N 3.33Å; K367-D369 PolarHBondContact O-N 3.08Å; K367-V370 PolarHBondContact O-N 3.28Å; K367-A371 HydrophobicContact CB-CB 3.84Å; K367-A371 HydrophobicContact CD-CB 4.44Å; K367-A371 HydrophobicContact CG-CB 4.36Å; K367-A371 WeakPolarHBondContact O-CB 3.24Å; K367-A371 PolarHBondContact O-N 3.21Å; K367-T375 HydrophobicContact CD-CG2 4.42Å; K367-K376 WeakPolarHBondContact O-CE 3.39Å; K367-L379 HydrophobicContact CB-CD1 3.73Å; K367-L379 HydrophobicContact CD-CD1 3.95Å; K367-L379 HydrophobicContact CG-CD1 4.39Å
368	K	88.7	Confident	91.6	Very high	33 Å²	33	41.2 Å²	41.2	14%	0.143	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.3	-172.1	82.5	-176.9	-179.9	57.4	0	114	F316 F333 L364 M365 K376	F316-K368 HydrophobicContact CE1-CB 4.09Å; F316-K368 HydrophobicContact CZ-CB 4.15Å; F333-K368 HydrophobicContact CB-CD 3.96Å; F333-K368 WeakPolarHBondContact O-CE 3.2Å; L364-K368 WeakPolarHBondContact O-CA 3.24Å; L364-K368 WeakPolarHBondContact O-CB 3.45Å; L364-K368 PolarHBondContact O-N 2.73Å; M365-K368 WeakPolarHBondContact O-CG 3.43Å; M365-K368 PolarHBondContact O-N 3.13Å; K368-K376 WeakPolarHBondContact O-CE 3.36Å; K368-K376 PolarHBondContact O-NZ 2.87Å
369	D	85.2	Confident	91.7	Very high	81 Å²	81	41.5 Å²	41.5	43%	0.433	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-11.4	-177.6	-60	-52.1	0	0	0	113.4	Q314 K367	Q314-D369 PolarHBondContact NE2-O 3.23Å; K367-D369 VanDerWaalsContact C-N 3.33Å; K367-D369 PolarHBondContact O-N 3.08Å
370	V	87.1	Confident	91.9	Very high	123 Å²	123	40.2 Å²	40.2	75%	0.745	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-38.4	-168.2	-173.7	0	0	0	0	113.7	K367	K367-V370 PolarHBondContact O-N 3.28Å
371	A	87.1	Confident	91.9	Very high	16 Å²	16	44.6 Å²	44.6	13%	0.132	24%	0.235	C	C	.	.	S	Bend	trans	-78.1	156.2	-172.3	0	0	0	0	0	113.7	K367 T375 K376	K367-A371 HydrophobicContact CB-CB 3.84Å; K367-A371 HydrophobicContact CD-CB 4.44Å; K367-A371 HydrophobicContact CG-CB 4.36Å; K367-A371 WeakPolarHBondContact O-CB 3.24Å; K367-A371 PolarHBondContact O-N 3.21Å; A371-T375 HydrophobicContact CB-CG2 4.1Å; A371-K376 HydrophobicContact CB-CG 4.34Å; A371-K376 WeakPolarHBondContact O-CD 3.38Å; A371-K376 WeakPolarHBondContact O-CE 3.27Å; A371-K376 PolarHBondContact O-NZ 2.81Å
372	C	88.3	Confident	91.9	Very high	58 Å²	58	46.2 Å²	46.2	39%	0.392	24%	0.242	S	C	.	.			trans	-67.9	161.7	177.4	77.6	0	0	0	0	112.4	E374 T375 K376	C372-E374 PolarHBondContact O-N 2.69Å; C372-E374 PolarHBondContact SG-OE2 3.48Å; C372-T375 PolarHBondContact O-N 3.12Å; C372-T375 PolarHBondContact SG-OG1 3.13Å; C372-K376 WeakPolarHBondContact O-CG 3.12Å; C372-K376 PolarHBondContact O-N 2.94Å
373	P	87.8	Confident	92	Very high	63 Å²	63	46 Å²	46	41%	0.409	24%	0.24	S	C	.	.	H	α-helix	trans	-55.6	-34.6	-178.6	-26.4	36	0	0	0	113.9	K376 K377	P373-K376 PolarHBondContact O-N 3.03Å; P373-K377 VanDerWaalsContact O-CB 3.26Å; P373-K377 WeakPolarHBondContact O-CB 3.37Å; P373-K377 PolarHBondContact O-N 2.7Å
374	E	90.3	Very high	92.2	Very high	131 Å²	131	45.7 Å²	45.7	61%	0.612	24%	0.238	S	C	*	.	H	α-helix	trans	-69.3	-47.9	-177.5	-63	62.1	-133	0	0	111.1	C372 K376 K377 D378	C372-E374 PolarHBondContact O-N 2.69Å; C372-E374 PolarHBondContact SG-OE2 3.48Å; E374-K376 VanDerWaalsContact C-N 3.34Å; E374-K376 PolarHBondContact O-N 3.46Å; E374-K377 WeakPolarHBondContact O-CB 3.32Å; E374-K377 PolarHBondContact O-N 3.44Å; E374-D378 PolarHBondContact O-N 2.8Å; E374-D378 VanDerWaalsContact O-N 3.09Å
375	T	92.3	Very high	92.2	Very high	57 Å²	57	50 Å²	50	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-43.1	174	-56.5	0	0	0	0	110.7	K367 A371 C372 K377 D378 L379	K367-T375 HydrophobicContact CD-CG2 4.42Å; A371-T375 HydrophobicContact CB-CG2 4.1Å; C372-T375 PolarHBondContact O-N 3.12Å; C372-T375 PolarHBondContact SG-OG1 3.13Å; T375-K377 VanDerWaalsContact C-N 3.32Å; T375-K377 PolarHBondContact O-N 2.94Å; T375-D378 PolarHBondContact O-N 3.36Å; T375-L379 HydrophobicContact CG2-CD1 4.06Å; T375-L379 HydrophobicContact CG2-CG 4.43Å; T375-L379 WeakPolarHBondContact O-CG 3.35Å; T375-L379 PolarHBondContact O-N 3.16Å
376	K	91.9	Very high	92.3	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-41.9	175.2	-74	170.3	169.1	179.2	0	112.2	Q314 K367 K368 A371 C372 P373 E374 D378 L379 L380	Q314-K376 VanDerWaalsContact CB-NZ 3.3Å; K367-K376 WeakPolarHBondContact O-CE 3.39Å; K368-K376 WeakPolarHBondContact O-CE 3.36Å; K368-K376 PolarHBondContact O-NZ 2.87Å; A371-K376 HydrophobicContact CB-CG 4.34Å; A371-K376 WeakPolarHBondContact O-CD 3.38Å; A371-K376 WeakPolarHBondContact O-CE 3.27Å; A371-K376 PolarHBondContact O-NZ 2.81Å; C372-K376 WeakPolarHBondContact O-CG 3.12Å; C372-K376 PolarHBondContact O-N 2.94Å; P373-K376 PolarHBondContact O-N 3.03Å; E374-K376 VanDerWaalsContact C-N 3.34Å; E374-K376 PolarHBondContact O-N 3.46Å; K376-D378 VanDerWaalsContact C-N 3.3Å; K376-D378 PolarHBondContact O-N 2.83Å; K376-L379 PolarHBondContact O-N 3.02Å; K376-L380 WeakPolarHBondContact O-CB 3.35Å; K376-L380 WeakPolarHBondContact O-CD1 3.3Å; K376-L380 WeakPolarHBondContact O-CG 3.14Å; K376-L380 PolarHBondContact O-N 3.45Å
377	K	94.4	Very high	92.6	Very high	98 Å²	98	48 Å²	48	43%	0.426	25%	0.251	S	S	.	.	H	α-helix	trans	-62.4	-34.6	176.9	-168.4	179.1	-175.6	176	0	112.3	L319 P373 E374 T375 R381	L319-K377 HydrophobicContact CD2-CG 3.54Å; P373-K377 VanDerWaalsContact O-CB 3.26Å; P373-K377 WeakPolarHBondContact O-CB 3.37Å; P373-K377 PolarHBondContact O-N 2.7Å; E374-K377 WeakPolarHBondContact O-CB 3.32Å; E374-K377 PolarHBondContact O-N 3.44Å; T375-K377 VanDerWaalsContact C-N 3.32Å; T375-K377 PolarHBondContact O-N 2.94Å; K377-R381 WeakPolarHBondContact O-CB 3.45Å; K377-R381 PolarHBondContact O-N 3.16Å
378	D	95.6	Very high	92.8	Very high	48 Å²	48	47.2 Å²	47.2	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-73.2	-42.9	171.1	-172	60.3	0	0	0	112.9	E374 T375 K376 L380 R381 K382	E374-D378 PolarHBondContact O-N 2.8Å; E374-D378 VanDerWaalsContact O-N 3.09Å; T375-D378 PolarHBondContact O-N 3.36Å; K376-D378 VanDerWaalsContact C-N 3.3Å; K376-D378 PolarHBondContact O-N 2.83Å; D378-L380 VanDerWaalsContact C-N 3.33Å; D378-L380 PolarHBondContact O-N 3.47Å; D378-R381 CarbonylContact O-C 3.57Å; D378-R381 WeakPolarHBondContact O-CA 3.26Å; D378-R381 WeakPolarHBondContact O-CB 2.99Å; D378-R381 PolarHBondContact O-N 2.76Å; D378-R381 IonicContact OD1-CZ 2.72Å; D378-R381 IonicContact OD1-NH1 3.13Å; D378-R381 PolarHBondContact OD1-NH1 2.8Å; D378-K382 PolarHBondContact O-N 2.88Å; D378-K382 WeakPolarHBondContact OD2-CD 3.26Å; D378-K382 WeakPolarHBondContact OD2-CE 3.27Å; D378-K382 IonicContact OD2-NZ 3.55Å; D378-K382 PolarHBondContact OD2-NZ 2.93Å
379	L	95.9	Very high	92.9	Very high	6 Å²	6	50 Å²	50	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-41.9	176.9	-66.9	170.3	0	0	0	111.9	H363 L364 K367 T375 K376 R381 K382 V383	H363-L379 HydrophobicContact CB-CD2 4.39Å; H363-L379 VanDerWaalsContact ND1-CD2 3.3Å; H363-L379 WeakPolarHBondContact ND1-CD2 3.29Å; L364-L379 HydrophobicContact CB-CB 4.32Å; L364-L379 HydrophobicContact CD1-CB 3.8Å; L364-L379 HydrophobicContact CD1-CD1 4.31Å; K367-L379 HydrophobicContact CB-CD1 3.73Å; K367-L379 HydrophobicContact CD-CD1 3.95Å; K367-L379 HydrophobicContact CG-CD1 4.39Å; T375-L379 HydrophobicContact CG2-CD1 4.06Å; T375-L379 HydrophobicContact CG2-CG 4.43Å; T375-L379 WeakPolarHBondContact O-CG 3.35Å; T375-L379 PolarHBondContact O-N 3.16Å; K376-L379 PolarHBondContact O-N 3.02Å; L379-R381 VanDerWaalsContact C-N 3.31Å; L379-R381 PolarHBondContact O-N 3.16Å; L379-K382 PolarHBondContact O-N 3.35Å; L379-V383 WeakPolarHBondContact O-CG2 3.47Å; L379-V383 PolarHBondContact O-N 3.25Å
380	L	96.4	Very high	93.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-36.5	172.4	-69.5	161.4	0	0	0	111.9	F316 L319 M325 L329 L364 K376 D378 K384	F316-L380 HydrophobicContact CB-CD1 3.68Å; F316-L380 HydrophobicContact CB-CD2 4.07Å; F316-L380 HydrophobicContact CD1-CD1 4.01Å; F316-L380 HydrophobicContact CD1-CD2 4.1Å; F316-L380 HydrophobicContact CD1-CG 4.42Å; F316-L380 HydrophobicContact CD2-CD2 4Å; F316-L380 HydrophobicContact CE2-CD2 4.48Å; F316-L380 HydrophobicContact CG-CD1 4.01Å; F316-L380 HydrophobicContact CG-CD2 3.8Å; F316-L380 HydrophobicContact CG-CG 4.46Å; L319-L380 HydrophobicContact CD1-CB 3.98Å; M325-L380 HydrophobicContact CE-CB 4.12Å; M325-L380 HydrophobicContact CE-CD2 4.06Å; L329-L380 HydrophobicContact CD1-CD2 3.84Å; L364-L380 HydrophobicContact CD1-CG 4.49Å; L364-L380 HydrophobicContact CD2-CD2 3.75Å; L364-L380 HydrophobicContact CD2-CG 4.3Å; K376-L380 WeakPolarHBondContact O-CB 3.35Å; K376-L380 WeakPolarHBondContact O-CD1 3.3Å; K376-L380 WeakPolarHBondContact O-CG 3.14Å; K376-L380 PolarHBondContact O-N 3.45Å; D378-L380 VanDerWaalsContact C-N 3.33Å; D378-L380 PolarHBondContact O-N 3.47Å; L380-K384 WeakPolarHBondContact O-CB 3.35Å; L380-K384 PolarHBondContact O-N 2.68Å
381	R	96.3	Very high	93.5	Very high	110 Å²	110	44.4 Å²	44.4	42%	0.415	24%	0.243	S	C	.	.	H	α-helix	trans	-67.2	-43.3	172.8	-175.4	-165	-64	121.1	-5.1	111.2	L319 K377 D378 L379 V383 K384 N385	L319-R381 HydrophobicContact CD1-CB 4.24Å; K377-R381 WeakPolarHBondContact O-CB 3.45Å; K377-R381 PolarHBondContact O-N 3.16Å; D378-R381 CarbonylContact O-C 3.57Å; D378-R381 WeakPolarHBondContact O-CA 3.26Å; D378-R381 WeakPolarHBondContact O-CB 2.99Å; D378-R381 PolarHBondContact O-N 2.76Å; D378-R381 IonicContact OD1-CZ 2.72Å; D378-R381 IonicContact OD1-NH1 3.13Å; D378-R381 PolarHBondContact OD1-NH1 2.8Å; L379-R381 VanDerWaalsContact C-N 3.31Å; L379-R381 PolarHBondContact O-N 3.16Å; R381-V383 VanDerWaalsContact C-N 3.33Å; R381-V383 PolarHBondContact O-N 3.47Å; R381-K384 PolarHBondContact O-N 3.4Å; R381-N385 WeakPolarHBondContact O-CB 3.41Å; R381-N385 PolarHBondContact O-N 2.84Å; R381-N385 PolarHBondContact O-OD1 2.78Å
382	K	96.4	Very high	93.8	Very high	34 Å²	34	51.3 Å²	51.3	15%	0.148	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-37.5	176.6	-76.1	175.2	168.7	171.9	0	111.7	D378 L379 A386 E695	D378-K382 PolarHBondContact O-N 2.88Å; D378-K382 WeakPolarHBondContact OD2-CD 3.26Å; D378-K382 WeakPolarHBondContact OD2-CE 3.27Å; D378-K382 IonicContact OD2-NZ 3.55Å; D378-K382 PolarHBondContact OD2-NZ 2.93Å; L379-K382 PolarHBondContact O-N 3.35Å; K382-A386 PolarHBondContact O-N 3.37Å; K382-A386 VanDerWaalsContact O-N 3.14Å; K382-E695 IonicContact NZ-OE1 3.75Å; K382-E695 IonicContact NZ-OE2 3.68Å; K382-E695 PolarHBondContact NZ-OE2 2.71Å
383	V	96.8	Very high	94	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-50.3	169.5	167.5	0	0	0	0	111.9	M325 L329 L357 R360 F361 L364 L379 R381 N385 A386 I387	M325-V383 HydrophobicContact SD-CG1 4.49Å; L329-V383 HydrophobicContact CD1-CG1 4.16Å; L329-V383 HydrophobicContact CD2-CG1 4.43Å; L357-V383 HydrophobicContact CD1-CG1 4.4Å; R360-V383 HydrophobicContact CB-CG2 3.8Å; F361-V383 HydrophobicContact CD1-CG1 4.19Å; F361-V383 HydrophobicContact CD1-CG2 4.14Å; F361-V383 HydrophobicContact CE1-CG1 3.76Å; L364-V383 HydrophobicContact CB-CG2 4.47Å; L364-V383 HydrophobicContact CD2-CG2 3.92Å; L379-V383 WeakPolarHBondContact O-CG2 3.47Å; L379-V383 PolarHBondContact O-N 3.25Å; R381-V383 VanDerWaalsContact C-N 3.33Å; R381-V383 PolarHBondContact O-N 3.47Å; V383-N385 VanDerWaalsContact C-N 3.29Å; V383-N385 PolarHBondContact O-N 3.31Å; V383-A386 WeakPolarHBondContact O-CB 3.47Å; V383-A386 PolarHBondContact O-N 2.97Å; V383-I387 PolarHBondContact O-N 3.45Å
384	K	96.2	Very high	94.2	Very high	13 Å²	13	50.3 Å²	50.3	6%	0.057	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-46	177.6	-170	-167.8	-179.7	-163.1	0	111.1	T322 M325 L380 R381 A386 I387 S388 F394 S395 G396 N397	T322-K384 HydrophobicContact CG2-CD 4.41Å; M325-K384 HydrophobicContact SD-CB 4.06Å; M325-K384 HydrophobicContact SD-CG 4.48Å; L380-K384 WeakPolarHBondContact O-CB 3.35Å; L380-K384 PolarHBondContact O-N 2.68Å; R381-K384 PolarHBondContact O-N 3.4Å; K384-A386 PolarHBondContact O-N 2.74Å; K384-I387 PolarHBondContact O-N 3.29Å; K384-S388 VanDerWaalsContact O-CB 3.28Å; K384-S388 WeakPolarHBondContact O-CB 3.46Å; K384-S388 PolarHBondContact O-N 3.21Å; K384-S388 PolarHBondContact O-OG 2.85Å; K384-F394 WeakPolarHBondContact CE-O 3.33Å; K384-F394 PolarHBondContact NZ-O 3.4Å; K384-S395 PolarHBondContact NZ-O 3.05Å; K384-G396 PolarHBondContact NZ-O 2.86Å; K384-N397 PolarHBondContact NZ-OD1 3.02Å
385	N	95.3	Very high	94.2	Very high	92 Å²	92	47.2 Å²	47.2	49%	0.492	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-38.5	-179.7	-70.9	5.2	0	0	0	112.2	R381 V383 S388 S389	R381-N385 WeakPolarHBondContact O-CB 3.41Å; R381-N385 PolarHBondContact O-N 2.84Å; R381-N385 PolarHBondContact O-OD1 2.78Å; V383-N385 VanDerWaalsContact C-N 3.29Å; V383-N385 PolarHBondContact O-N 3.31Å; N385-S388 PolarHBondContact O-N 3.15Å; N385-S389 PolarHBondContact O-N 2.75Å
386	A	95.8	Very high	94	Very high	6 Å²	6	45.9 Å²	45.9	5%	0.05	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-52.9	175.5	0	0	0	0	0	111.3	N355 L357 R360 K382 V383 K384 S388 S389	N355-A386 WeakPolarHBondContact O-CB 3.16Å; L357-A386 HydrophobicContact CD1-CB 4.06Å; R360-A386 HydrophobicContact CG-CB 4.3Å; K382-A386 PolarHBondContact O-N 3.37Å; K382-A386 VanDerWaalsContact O-N 3.14Å; V383-A386 WeakPolarHBondContact O-CB 3.47Å; V383-A386 PolarHBondContact O-N 2.97Å; K384-A386 PolarHBondContact O-N 2.74Å; A386-S388 VanDerWaalsContact C-N 3.33Å; A386-S388 PolarHBondContact O-N 2.89Å; A386-S389 PolarHBondContact O-N 3.24Å; A386-S389 PolarHBondContact O-OG 3.14Å
387	I	96	Very high	94	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-43.2	174.9	-65	-67.1	0	0	0	111.7	L357 V383 K384 S389 T390 A391 F394 F405 Q408 C409	L357-I387 HydrophobicContact CD1-CD1 3.67Å; L357-I387 HydrophobicContact CD1-CG1 3.76Å; L357-I387 HydrophobicContact CD2-CD1 3.53Å; L357-I387 HydrophobicContact CG-CD1 4.23Å; V383-I387 PolarHBondContact O-N 3.45Å; K384-I387 PolarHBondContact O-N 3.29Å; I387-S389 PolarHBondContact O-N 2.74Å; I387-T390 PolarHBondContact O-N 2.8Å; I387-T390 VanDerWaalsContact O-N 3.16Å; I387-T390 PolarHBondContact O-OG1 3.32Å; I387-A391 PolarHBondContact O-N 3.15Å; I387-F394 HydrophobicContact CG2-CB 4.02Å; I387-F394 HydrophobicContact CG2-CD2 3.42Å; I387-F394 VanDerWaalsContact CG2-CD2 3.42Å; I387-F394 HydrophobicContact CG2-CE2 4.11Å; I387-F394 HydrophobicContact CG2-CG 3.91Å; I387-F405 HydrophobicContact CB-CE2 4.23Å; I387-F405 HydrophobicContact CG1-CE2 3.92Å; I387-F405 HydrophobicContact CG1-CZ 4.22Å; I387-F405 HydrophobicContact CG2-CD2 4.25Å; I387-F405 HydrophobicContact CG2-CE2 3.88Å; I387-Q408 HydrophobicContact CD1-CG 4.43Å; I387-Q408 HydrophobicContact CG2-CG 4.06Å; I387-C409 HydrophobicContact CD1-CB 4.42Å; I387-C409 VanDerWaalsContact CD1-SG 3.58Å
388	S	94.6	Very high	93.8	Very high	19 Å²	19	49.6 Å²	49.6	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-21.6	-178.1	-57.2	0	0	0	0	113.3	K384 N385 A386 F394 S395	K384-S388 VanDerWaalsContact O-CB 3.28Å; K384-S388 WeakPolarHBondContact O-CB 3.46Å; K384-S388 PolarHBondContact O-N 3.21Å; K384-S388 PolarHBondContact O-OG 2.85Å; N385-S388 PolarHBondContact O-N 3.15Å; A386-S388 VanDerWaalsContact C-N 3.33Å; A386-S388 PolarHBondContact O-N 2.89Å; S388-F394 PolarHBondContact OG-O 2.76Å; S388-S395 WeakPolarHBondContact OG-CA 3.29Å; S388-S395 PolarHBondContact OG-N 3.46Å
389	S	92.4	Very high	93.5	Very high	92 Å²	92	50 Å²	50	64%	0.643	27%	0.271	S	S	*	.	H	α-helix	trans	-76.5	-21.1	177.9	75.2	0	0	0	0	113.8	N385 A386 I387	N385-S389 PolarHBondContact O-N 2.75Å; A386-S389 PolarHBondContact O-N 3.24Å; A386-S389 PolarHBondContact O-OG 3.14Å; I387-S389 PolarHBondContact O-N 2.74Å
390	T	91.3	Very high	93.4	Very high	76 Å²	76	51 Å²	51	47%	0.466	28%	0.276	S	S	.	.	H	α-helix	trans	-113.2	-17.9	176.4	55.3	0	0	0	0	113.4	I387 Q412	I387-T390 PolarHBondContact O-N 2.8Å; I387-T390 VanDerWaalsContact O-N 3.16Å; I387-T390 PolarHBondContact O-OG1 3.32Å; T390-Q412 VanDerWaalsContact CG2-OE1 3.26Å; T390-Q412 PolarHBondContact OG1-OE1 3.44Å
391	A	93.1	Very high	93.3	Very high	9 Å²	9	52.3 Å²	52.3	7%	0.074	28%	0.283	C	S	.	.			trans	-136.3	91.2	173.6	0	0	0	0	0	111.6	I387 R393 F394 Q408	I387-A391 PolarHBondContact O-N 3.15Å; A391-R393 PolarHBondContact O-N 3.18Å; A391-F394 HydrophobicContact CB-CD2 3.74Å; A391-F394 HydrophobicContact CB-CE2 4.01Å; A391-F394 PolarHBondContact O-N 2.74Å; A391-F394 VanDerWaalsContact O-N 3.12Å; A391-Q408 HydrophobicContact CB-CG 3.85Å; A391-Q408 VanDerWaalsContact CB-OE1 3.31Å
392	E	92.9	Very high	93.2	Very high	161 Å²	161	47 Å²	47	75%	0.752	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-53	-29.8	-173.3	-173.2	179.3	-173	0	0	114	F394 S395	E392-F394 PolarHBondContact O-N 2.79Å; E392-F394 VanDerWaalsContact O-N 3.09Å; E392-S395 WeakPolarHBondContact O-CB 3.43Å; E392-S395 PolarHBondContact O-N 2.62Å; E392-S395 PolarHBondContact O-OG 3.23Å
393	R	91.5	Very high	93.2	Very high	100 Å²	100	46.7 Å²	46.7	38%	0.377	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-55.2	-29	179.2	72.6	-162.7	-157.9	-90.4	6.3	114.1	A391 N400 E404 Q408	A391-R393 PolarHBondContact O-N 3.18Å; R393-N400 PolarHBondContact O-OD1 2.59Å; R393-E404 IonicContact CZ-OE2 3.05Å; R393-E404 IonicContact NE-OE2 3.88Å; R393-E404 PolarHBondContact NE-OE2 3.43Å; R393-E404 PolarHBondContact NH2-O 3.1Å; R393-E404 IonicContact NH2-OE2 3.78Å; R393-E404 PolarHBondContact NH2-OE2 3Å; R393-Q408 VanDerWaalsContact NH1-OE1 3.1Å
394	F	93.4	Very high	93.2	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-84.3	-9	177.4	-59.5	-65.7	0	0	0	114.4	Y324 K384 I387 S388 A391 E392 G396 N400 F405 Q408	Y324-F394 AromaticContact CE2-CD1 3.68Å; Y324-F394 HydrophobicContact CE2-CD1 3.68Å; Y324-F394 AromaticContact CE2-CE1 3.92Å; Y324-F394 HydrophobicContact CE2-CE1 3.92Å; Y324-F394 AromaticContact CZ-CD1 3.98Å; K384-F394 WeakPolarHBondContact CE-O 3.33Å; K384-F394 PolarHBondContact NZ-O 3.4Å; I387-F394 HydrophobicContact CG2-CB 4.02Å; I387-F394 HydrophobicContact CG2-CD2 3.42Å; I387-F394 VanDerWaalsContact CG2-CD2 3.42Å; I387-F394 HydrophobicContact CG2-CE2 4.11Å; I387-F394 HydrophobicContact CG2-CG 3.91Å; S388-F394 PolarHBondContact OG-O 2.76Å; A391-F394 HydrophobicContact CB-CD2 3.74Å; A391-F394 HydrophobicContact CB-CE2 4.01Å; A391-F394 PolarHBondContact O-N 2.74Å; A391-F394 VanDerWaalsContact O-N 3.12Å; E392-F394 PolarHBondContact O-N 2.79Å; E392-F394 VanDerWaalsContact O-N 3.09Å; F394-G396 PolarHBondContact O-N 3.08Å; F394-N400 HydrophobicContact CD1-CB 3.92Å; F394-N400 HydrophobicContact CE1-CB 3.69Å; F394-F405 AromaticContact CD1-CD2 3.84Å; F394-F405 HydrophobicContact CD1-CD2 3.84Å; F394-F405 HydrophobicContact CD2-CD2 4.42Å; F394-F405 HydrophobicContact CE1-CB 3.76Å; F394-F405 AromaticContact CE1-CD2 3.74Å; F394-F405 HydrophobicContact CE1-CD2 3.74Å; F394-F405 HydrophobicContact CE1-CG 4.24Å; F394-F405 HydrophobicContact CE2-CD2 4.32Å; F394-F405 HydrophobicContact CG-CD2 4.17Å; F394-F405 HydrophobicContact CZ-CB 3.88Å; F394-F405 AromaticContact CZ-CD2 4Å; F394-F405 HydrophobicContact CZ-CD2 4Å; F394-F405 HydrophobicContact CZ-CG 4.46Å; F394-Q408 HydrophobicContact CD2-CG 4.47Å; F394-Q408 HydrophobicContact CE2-CB 4Å; F394-Q408 HydrophobicContact CE2-CG 3.93Å
395	S	89.8	Confident	93.2	Very high	65 Å²	65	50.2 Å²	50.2	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-41.5	-178.7	65.8	0	0	0	0	113	K384 S388 E392	K384-S395 PolarHBondContact NZ-O 3.05Å; S388-S395 WeakPolarHBondContact OG-CA 3.29Å; S388-S395 PolarHBondContact OG-N 3.46Å; E392-S395 WeakPolarHBondContact O-CB 3.43Å; E392-S395 PolarHBondContact O-N 2.62Å; E392-S395 PolarHBondContact O-OG 3.23Å
396	G	88.8	Confident	93.4	Very high	30 Å²	30	45.9 Å²	45.9	31%	0.309	26%	0.256	S	S	.	.	S	Bend	trans	-70.9	171.6	-178	0	0	0	0	0	114.2	K384 F394 V398	K384-G396 PolarHBondContact NZ-O 2.86Å; F394-G396 PolarHBondContact O-N 3.08Å; G396-V398 VanDerWaalsContact C-N 3.3Å
397	N	90.5	Very high	93.5	Very high	96 Å²	96	46.8 Å²	46.8	51%	0.513	26%	0.262	S	S	.	.	S	Bend	trans	-99.7	39.2	173.7	-63.5	-22.2	0	0	0	111	N321 K384	N321-N397 PolarHBondContact ND2-O 3.29Å; K384-N397 PolarHBondContact NZ-OD1 3.02Å
398	V	90.9	Very high	93.5	Very high	83 Å²	83	48.7 Å²	48.7	50%	0.503	27%	0.27	S	S	.	.	S	Bend	trans	-90.6	156.1	172.3	-61.8	0	0	0	0	109.7	G396 N400	G396-V398 VanDerWaalsContact C-N 3.3Å; V398-N400 PolarHBondContact O-ND2 2.83Å
399	Q	90.1	Very high	93.7	Very high	57 Å²	57	47.8 Å²	47.8	27%	0.266	26%	0.264	S	S	.	.			trans	-68.4	137.4	166.5	-64.8	-168.8	-5.4	0	0	108.4	N321 G878	N321-Q399 HydrophobicContact CB-CG 3.71Å; N321-Q399 WeakPolarHBondContact OD1-CG 3.34Å; N321-Q399 PolarHBondContact OD1-NE2 2.86Å; Q399-G878 PolarHBondContact NE2-O 3.35Å; Q399-G878 PolarHBondContact OE1-O 2.95Å
400	N	92.8	Very high	94	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.144	23%	0.233	C	C	.	.			trans	-125.8	165.5	173.9	-71.9	-93.3	0	0	0	108	Y324 R393 F394 V398	Y324-N400 HydrophobicContact CD1-CB 4.18Å; Y324-N400 HydrophobicContact CD2-CB 4.26Å; Y324-N400 HydrophobicContact CE1-CB 3.93Å; Y324-N400 HydrophobicContact CE2-CB 4.06Å; Y324-N400 HydrophobicContact CG-CB 4.36Å; R393-N400 PolarHBondContact O-OD1 2.59Å; F394-N400 HydrophobicContact CD1-CB 3.92Å; F394-N400 HydrophobicContact CE1-CB 3.69Å; V398-N400 PolarHBondContact O-ND2 2.83Å
401	D	93.6	Very high	94.2	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.144	23%	0.227	C	C	.	.			trans	-74.7	146.5	175	-174.6	-90.9	0	0	0	112.5	H403 E404 F405 Y880 Y917	D401-H403 WeakPolarHBondContact OD1-CA 3.46Å; D401-H403 WeakPolarHBondContact OD1-CB 3.35Å; D401-H403 PolarHBondContact OD1-N 3.36Å; D401-E404 HydrophobicContact CB-CB 3.99Å; D401-E404 HydrophobicContact CB-CG 4.21Å; D401-E404 PolarHBondContact OD1-N 2.94Å; D401-E404 VanDerWaalsContact OD1-N 3.14Å; D401-F405 PolarHBondContact O-N 2.93Å; D401-Y880 PolarHBondContact OD2-OH 3.47Å; D401-Y917 PolarHBondContact OD1-OH 3.15Å; D401-Y917 VanDerWaalsContact OD2-CE1 3.23Å; D401-Y917 WeakPolarHBondContact OD2-CE1 3.32Å; D401-Y917 PolarHBondContact OD2-OH 3.48Å; D401-Y917 VanDerWaalsContact OD2-OH 3.09Å
402	A	95.9	Very high	94.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-82	-31.6	-176.2	0	0	0	0	0	113.6	I328 L406 V868 Y880 I918	I328-A402 HydrophobicContact CD1-CB 4.24Å; I328-A402 WeakPolarHBondContact CD1-O 3.47Å; I328-A402 HydrophobicContact CG1-CB 4.15Å; I328-A402 WeakPolarHBondContact CG1-O 3.4Å; A402-L406 WeakPolarHBondContact O-CB 3.46Å; A402-L406 PolarHBondContact O-N 2.92Å; A402-V868 HydrophobicContact CB-CG1 4.42Å; A402-Y880 HydrophobicContact CB-CD1 3.78Å; A402-Y880 HydrophobicContact CB-CE1 3.51Å; A402-Y880 HydrophobicContact CB-CE2 4.3Å; A402-Y880 HydrophobicContact CB-CG 4.3Å; A402-I918 HydrophobicContact CB-CD1 4.12Å
403	H	96.1	Very high	94.5	Very high	26 Å²	26	35.5 Å²	35.5	12%	0.12	19%	0.192	C	C	.	.	H	α-helix	trans	-70.8	-45.5	174.7	173.1	-106.6	0	0	0	109.4	D401 F405 L406 S407 D491 S493 H549 Y917 I918	D401-H403 WeakPolarHBondContact OD1-CA 3.46Å; D401-H403 WeakPolarHBondContact OD1-CB 3.35Å; D401-H403 PolarHBondContact OD1-N 3.36Å; H403-F405 VanDerWaalsContact C-N 3.27Å; H403-F405 PolarHBondContact O-N 2.69Å; H403-L406 WeakPolarHBondContact O-CB 3.45Å; H403-L406 PolarHBondContact O-N 2.65Å; H403-S407 PolarHBondContact O-N 2.9Å; H403-S407 PolarHBondContact O-OG 3.41Å; H403-D491 IonicContact CD2-OD2 2.77Å; H403-D491 IonicContact CE1-OD2 2.91Å; H403-D491 IonicContact NE2-OD1 3.54Å; H403-D491 IonicContact NE2-OD2 2.69Å; H403-D491 PolarHBondContact NE2-OD2 2.83Å; H403-S493 PolarHBondContact CE1-OG 3.45Å; H403-S493 VanDerWaalsContact CE1-OG 3.3Å; H403-S493 PolarHBondContact NE2-OG 3.2Å; H403-H549 AromaticContact CD2-CG 3.67Å; H403-H549 AromaticContact CD2-ND1 3.64Å; H403-H549 AromaticContact CE1-ND1 3.51Å; H403-H549 AromaticContact CG-CE1 3.89Å; H403-H549 AromaticContact CG-CG 3.65Å; H403-H549 AromaticContact CG-ND1 3.41Å; H403-H549 AromaticContact ND1-CE1 3.66Å; H403-H549 AromaticContact ND1-ND1 3.33Å; H403-H549 PolarHBondContact ND1-ND1 3.35Å; H403-H549 AromaticContact NE2-ND1 3.67Å; H403-Y917 HydrophobicContact CB-CE1 4.2Å; H403-I918 HydrophobicContact CB-CD1 3.89Å; H403-I918 HydrophobicContact CB-CG1 4.33Å
404	E	95.7	Very high	94.7	Very high	86 Å²	86	33.1 Å²	33.1	40%	0.402	18%	0.184	S	C	.	.	H	α-helix	trans	-52.1	-41.4	171.3	-94.1	-161.8	-142.7	0	0	114	R393 D401 Q408	R393-E404 IonicContact CZ-OE2 3.05Å; R393-E404 IonicContact NE-OE2 3.88Å; R393-E404 PolarHBondContact NE-OE2 3.43Å; R393-E404 PolarHBondContact NH2-O 3.1Å; R393-E404 IonicContact NH2-OE2 3.78Å; R393-E404 PolarHBondContact NH2-OE2 3Å; D401-E404 HydrophobicContact CB-CB 3.99Å; D401-E404 HydrophobicContact CB-CG 4.21Å; D401-E404 PolarHBondContact OD1-N 2.94Å; D401-E404 VanDerWaalsContact OD1-N 3.14Å; E404-Q408 WeakPolarHBondContact O-CB 3.28Å; E404-Q408 PolarHBondContact O-N 3.43Å
405	F	97.6	Very high	94.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-73.8	-37.3	177	-179.5	-99.5	0	0	0	112.2	Y324 M325 I328 I387 F394 D401 H403 Q408 C409	Y324-F405 HydrophobicContact CD2-CB 3.76Å; Y324-F405 HydrophobicContact CD2-CD1 4.34Å; Y324-F405 HydrophobicContact CD2-CD2 4.12Å; Y324-F405 AromaticContact CD2-CG 3.81Å; Y324-F405 HydrophobicContact CD2-CG 3.81Å; Y324-F405 HydrophobicContact CE2-CB 4.08Å; Y324-F405 AromaticContact CE2-CD2 3.66Å; Y324-F405 HydrophobicContact CE2-CD2 3.66Å; Y324-F405 HydrophobicContact CE2-CE2 4.24Å; Y324-F405 AromaticContact CE2-CG 3.85Å; Y324-F405 HydrophobicContact CE2-CG 3.85Å; M325-F405 HydrophobicContact CB-CD1 4.32Å; M325-F405 HydrophobicContact CB-CE1 3.83Å; M325-F405 HydrophobicContact CB-CE2 4.29Å; M325-F405 HydrophobicContact CB-CZ 3.82Å; M325-F405 HydrophobicContact CG-CE1 3.72Å; M325-F405 HydrophobicContact CG-CE2 4.27Å; M325-F405 HydrophobicContact CG-CZ 3.49Å; M325-F405 VanDerWaalsContact CG-CZ 3.49Å; M325-F405 HydrophobicContact SD-CZ 4.15Å; I328-F405 HydrophobicContact CB-CD1 3.98Å; I328-F405 HydrophobicContact CB-CE1 4.31Å; I328-F405 HydrophobicContact CG1-CD1 4.15Å; I328-F405 HydrophobicContact CG2-CD1 3.97Å; I328-F405 HydrophobicContact CG2-CE1 4.18Å; I387-F405 HydrophobicContact CB-CE2 4.23Å; I387-F405 HydrophobicContact CG1-CE2 3.92Å; I387-F405 HydrophobicContact CG1-CZ 4.22Å; I387-F405 HydrophobicContact CG2-CD2 4.25Å; I387-F405 HydrophobicContact CG2-CE2 3.88Å; F394-F405 AromaticContact CD1-CD2 3.84Å; F394-F405 HydrophobicContact CD1-CD2 3.84Å; F394-F405 HydrophobicContact CD2-CD2 4.42Å; F394-F405 HydrophobicContact CE1-CB 3.76Å; F394-F405 AromaticContact CE1-CD2 3.74Å; F394-F405 HydrophobicContact CE1-CD2 3.74Å; F394-F405 HydrophobicContact CE1-CG 4.24Å; F394-F405 HydrophobicContact CE2-CD2 4.32Å; F394-F405 HydrophobicContact CG-CD2 4.17Å; F394-F405 HydrophobicContact CZ-CB 3.88Å; F394-F405 AromaticContact CZ-CD2 4Å; F394-F405 HydrophobicContact CZ-CD2 4Å; F394-F405 HydrophobicContact CZ-CG 4.46Å; D401-F405 PolarHBondContact O-N 2.93Å; H403-F405 VanDerWaalsContact C-N 3.27Å; H403-F405 PolarHBondContact O-N 2.69Å; F405-Q408 PolarHBondContact O-N 3.37Å; F405-C409 WeakPolarHBondContact CE1-SG 3.2Å; F405-C409 VanDerWaalsContact CZ-SG 3.52Å; F405-C409 PolarHBondContact O-N 3.4Å; F405-C409 PolarHBondContact O-SG 3.33Å
406	L	98.2	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-54.1	175.6	173.3	59.4	0	0	0	111.2	I328 L332 A402 H403 Q408 C409 L410 I547 I918 F920	I328-L406 HydrophobicContact CD1-CB 3.86Å; I328-L406 HydrophobicContact CD1-CD2 4.2Å; I328-L406 HydrophobicContact CD1-CG 4.46Å; I328-L406 HydrophobicContact CG1-CB 4.26Å; I328-L406 HydrophobicContact CG2-CB 4.17Å; I328-L406 HydrophobicContact CG2-CD1 3.98Å; L332-L406 HydrophobicContact CD1-CD1 3.96Å; L332-L406 HydrophobicContact CD2-CD1 4.02Å; L332-L406 HydrophobicContact CG-CD1 4.23Å; A402-L406 WeakPolarHBondContact O-CB 3.46Å; A402-L406 PolarHBondContact O-N 2.92Å; H403-L406 WeakPolarHBondContact O-CB 3.45Å; H403-L406 PolarHBondContact O-N 2.65Å; L406-Q408 VanDerWaalsContact C-N 3.3Å; L406-Q408 PolarHBondContact O-N 2.91Å; L406-C409 WeakPolarHBondContact O-CB 3.42Å; L406-C409 PolarHBondContact O-N 3.36Å; L406-L410 HydrophobicContact CD1-CD1 4.05Å; L406-L410 HydrophobicContact CD1-CD2 4.3Å; L406-L410 HydrophobicContact CD1-CG 4Å; L406-L410 HydrophobicContact CG-CD1 4.27Å; L406-L410 WeakPolarHBondContact O-CG 3.44Å; L406-L410 PolarHBondContact O-N 3.42Å; L406-I547 HydrophobicContact CD2-CD1 4.29Å; L406-I547 HydrophobicContact CD2-CG2 3.96Å; L406-I918 HydrophobicContact CD2-CD1 4.34Å; L406-I918 HydrophobicContact CD2-CG2 4.02Å; L406-F920 HydrophobicContact CD1-CZ 4.39Å; L406-F920 HydrophobicContact CD2-CZ 4.01Å
407	S	97.4	Very high	95.1	Very high	25 Å²	25	33 Å²	33	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-44.3	178.3	-52.1	0	0	0	0	111	H403 C409 L410 D411	H403-S407 PolarHBondContact O-N 2.9Å; H403-S407 PolarHBondContact O-OG 3.41Å; S407-C409 VanDerWaalsContact C-N 3.3Å; S407-C409 PolarHBondContact O-N 3.32Å; S407-L410 PolarHBondContact O-N 3.15Å; S407-L410 VanDerWaalsContact O-N 3.13Å; S407-D411 PolarHBondContact O-N 2.97Å
408	Q	97.8	Very high	95.2	Very high	40 Å²	40	32.7 Å²	32.7	19%	0.187	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-38.4	175.9	-169.2	66	70.8	0	0	113.3	I387 A391 R393 F394 E404 F405 L406 Q412	I387-Q408 HydrophobicContact CD1-CG 4.43Å; I387-Q408 HydrophobicContact CG2-CG 4.06Å; A391-Q408 HydrophobicContact CB-CG 3.85Å; A391-Q408 VanDerWaalsContact CB-OE1 3.31Å; R393-Q408 VanDerWaalsContact NH1-OE1 3.1Å; F394-Q408 HydrophobicContact CD2-CG 4.47Å; F394-Q408 HydrophobicContact CE2-CB 4Å; F394-Q408 HydrophobicContact CE2-CG 3.93Å; E404-Q408 WeakPolarHBondContact O-CB 3.28Å; E404-Q408 PolarHBondContact O-N 3.43Å; F405-Q408 PolarHBondContact O-N 3.37Å; L406-Q408 VanDerWaalsContact C-N 3.3Å; L406-Q408 PolarHBondContact O-N 2.91Å; Q408-Q412 WeakPolarHBondContact O-CB 3.49Å; Q408-Q412 PolarHBondContact O-N 2.79Å; Q408-Q412 VanDerWaalsContact O-N 3.16Å
409	C	98	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.2	-43.9	175	-67.8	0	0	0	0	112	L357 F361 I387 F405 L406 S407 L413	L357-C409 HydrophobicContact CD2-CB 4.33Å; F361-C409 HydrophobicContact CZ-CB 4.02Å; I387-C409 HydrophobicContact CD1-CB 4.42Å; I387-C409 VanDerWaalsContact CD1-SG 3.58Å; F405-C409 WeakPolarHBondContact CE1-SG 3.2Å; F405-C409 VanDerWaalsContact CZ-SG 3.52Å; F405-C409 PolarHBondContact O-N 3.4Å; F405-C409 PolarHBondContact O-SG 3.33Å; L406-C409 WeakPolarHBondContact O-CB 3.42Å; L406-C409 PolarHBondContact O-N 3.36Å; S407-C409 VanDerWaalsContact C-N 3.3Å; S407-C409 PolarHBondContact O-N 3.32Å; C409-L413 WeakPolarHBondContact O-CB 3.45Å; C409-L413 VanDerWaalsContact O-CG 3.25Å; C409-L413 WeakPolarHBondContact O-CG 3.46Å; C409-L413 PolarHBondContact O-N 2.85Å
410	L	97.8	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.9	-44.3	-178.4	-64.8	-174.8	0	0	0	111.4	L332 L406 S407 L413 K414 V462 M466 N490 I547	L332-L410 HydrophobicContact CD2-CD2 4.4Å; L406-L410 HydrophobicContact CD1-CD1 4.05Å; L406-L410 HydrophobicContact CD1-CD2 4.3Å; L406-L410 HydrophobicContact CD1-CG 4Å; L406-L410 HydrophobicContact CG-CD1 4.27Å; L406-L410 WeakPolarHBondContact O-CG 3.44Å; L406-L410 PolarHBondContact O-N 3.42Å; S407-L410 PolarHBondContact O-N 3.15Å; S407-L410 VanDerWaalsContact O-N 3.13Å; L410-L413 PolarHBondContact O-N 3.24Å; L410-K414 PolarHBondContact O-N 2.87Å; L410-K414 VanDerWaalsContact O-N 3.11Å; L410-V462 HydrophobicContact CB-CG1 4.02Å; L410-V462 HydrophobicContact CD2-CG1 4.11Å; L410-V462 HydrophobicContact CD2-CG2 3.96Å; L410-V462 HydrophobicContact CG-CG1 4.46Å; L410-M466 HydrophobicContact CD2-CG 4.44Å; L410-N490 HydrophobicContact CD1-CB 3.88Å; L410-I547 HydrophobicContact CD1-CD1 4.04Å
411	D	96.6	Very high	94.9	Very high	61 Å²	61	32.2 Å²	32.2	33%	0.326	16%	0.158	S	C	.	.	H	α-helix	trans	-67.8	-44	179	-64.9	-22.9	0	0	0	111.2	S407 L413 K414 D415 N490	S407-D411 PolarHBondContact O-N 2.97Å; D411-L413 VanDerWaalsContact C-N 3.29Å; D411-L413 PolarHBondContact O-N 3.16Å; D411-K414 WeakPolarHBondContact O-CB 3.34Å; D411-K414 PolarHBondContact O-N 3.41Å; D411-K414 VanDerWaalsContact O-N 3.07Å; D411-D415 WeakPolarHBondContact O-CB 3.31Å; D411-D415 PolarHBondContact O-N 3.41Å; D411-N490 PolarHBondContact OD1-ND2 3.28Å
412	Q	96.9	Very high	94.7	Very high	18 Å²	18	36.2 Å²	36.2	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-35.5	175.8	-174.8	66.8	59.2	0	0	112.7	L357 T390 Q408 D415 D416	L357-Q412 HydrophobicContact CB-CG 3.66Å; L357-Q412 HydrophobicContact CD2-CB 3.67Å; L357-Q412 HydrophobicContact CD2-CG 3.67Å; L357-Q412 HydrophobicContact CG-CG 4.3Å; T390-Q412 VanDerWaalsContact CG2-OE1 3.26Å; T390-Q412 PolarHBondContact OG1-OE1 3.44Å; Q408-Q412 WeakPolarHBondContact O-CB 3.49Å; Q408-Q412 PolarHBondContact O-N 2.79Å; Q408-Q412 VanDerWaalsContact O-N 3.16Å; Q412-D415 WeakPolarHBondContact O-CB 3.41Å; Q412-D415 PolarHBondContact O-N 3.47Å; Q412-D416 PolarHBondContact NE2-OD1 3.43Å; Q412-D416 WeakPolarHBondContact O-CB 3.44Å; Q412-D416 VanDerWaalsContact O-CG 3.24Å; Q412-D416 PolarHBondContact O-N 2.98Å
413	L	95.9	Very high	94.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-70	-31.4	174.1	-73.7	174.8	0	0	0	113.1	F338 M342 L357 L358 F361 C409 L410 D411 V417 V462	F338-L413 HydrophobicContact CE2-CD1 4.2Å; F338-L413 HydrophobicContact CZ-CD1 3.77Å; M342-L413 HydrophobicContact CE-CD1 4.01Å; M342-L413 HydrophobicContact CE-CD2 3.99Å; L357-L413 HydrophobicContact CD2-CD2 4.22Å; L357-L413 HydrophobicContact CD2-CG 4.02Å; L357-L413 HydrophobicContact CG-CD2 4.25Å; L358-L413 HydrophobicContact CB-CD2 4.05Å; L358-L413 HydrophobicContact CD1-CD2 3.98Å; F361-L413 HydrophobicContact CD2-CD1 3.86Å; F361-L413 HydrophobicContact CD2-CD2 4.19Å; F361-L413 HydrophobicContact CD2-CG 4.48Å; F361-L413 HydrophobicContact CE2-CD1 3.81Å; C409-L413 WeakPolarHBondContact O-CB 3.45Å; C409-L413 VanDerWaalsContact O-CG 3.25Å; C409-L413 WeakPolarHBondContact O-CG 3.46Å; C409-L413 PolarHBondContact O-N 2.85Å; L410-L413 PolarHBondContact O-N 3.24Å; D411-L413 VanDerWaalsContact C-N 3.29Å; D411-L413 PolarHBondContact O-N 3.16Å; L413-V417 WeakPolarHBondContact O-CG2 3.44Å; L413-V417 PolarHBondContact O-N 3.48Å; L413-V462 HydrophobicContact CB-CG2 3.73Å; L413-V462 HydrophobicContact CD1-CG2 4Å
414	K	95.1	Very high	93.5	Very high	50 Å²	50	38.8 Å²	38.8	22%	0.217	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-50.4	169.4	-68.2	-171.5	-174.5	-166.4	0	110	L410 D411 D416 V417 E418 V462 E467 N490	L410-K414 PolarHBondContact O-N 2.87Å; L410-K414 VanDerWaalsContact O-N 3.11Å; D411-K414 WeakPolarHBondContact O-CB 3.34Å; D411-K414 PolarHBondContact O-N 3.41Å; D411-K414 VanDerWaalsContact O-N 3.07Å; K414-D416 PolarHBondContact O-N 2.97Å; K414-V417 PolarHBondContact O-N 2.83Å; K414-E418 WeakPolarHBondContact O-CB 3.14Å; K414-E418 PolarHBondContact O-N 2.83Å; K414-V462 HydrophobicContact CD-CG1 4.49Å; K414-V462 HydrophobicContact CG-CB 4.1Å; K414-V462 HydrophobicContact CG-CG1 4.19Å; K414-E467 IonicContact NZ-OE2 3.19Å; K414-E467 PolarHBondContact NZ-OE2 3.11Å; K414-N490 WeakPolarHBondContact CE-OD1 3.37Å; K414-N490 PolarHBondContact NZ-OD1 3.17Å
415	D	95.2	Very high	92.9	Very high	75 Å²	75	37.6 Å²	37.6	40%	0.401	20%	0.198	S	C	.	.	H	α-helix	trans	-55.2	-46.4	179.4	-114.6	45.2	0	0	0	112.7	D411 Q412 K419	D411-D415 WeakPolarHBondContact O-CB 3.31Å; D411-D415 PolarHBondContact O-N 3.41Å; Q412-D415 WeakPolarHBondContact O-CB 3.41Å; Q412-D415 PolarHBondContact O-N 3.47Å; D415-K419 WeakPolarHBondContact O-CB 3.45Å; D415-K419 WeakPolarHBondContact O-CD 3.4Å; D415-K419 WeakPolarHBondContact O-CE 3.32Å; D415-K419 WeakPolarHBondContact O-CG 3.13Å; D415-K419 PolarHBondContact O-N 3.36Å; D415-K419 VanDerWaalsContact OD2-CE 3.31Å; D415-K419 WeakPolarHBondContact OD2-CE 3.47Å; D415-K419 IonicContact OD2-NZ 3.68Å; D415-K419 PolarHBondContact OD2-NZ 2.66Å
416	D	93.8	Very high	92.2	Very high	15 Å²	15	43 Å²	43	8%	0.08	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-47.1	178.6	-76.1	1.8	0	0	0	111.5	L357 L358 Q412 K414 K419 M420	L357-D416 WeakPolarHBondContact CA-OD2 3.48Å; L357-D416 WeakPolarHBondContact CB-OD2 3.18Å; L357-D416 PolarHBondContact N-OD2 3.29Å; L358-D416 HydrophobicContact CB-CB 4.03Å; L358-D416 PolarHBondContact N-OD2 3.08Å; Q412-D416 PolarHBondContact NE2-OD1 3.43Å; Q412-D416 WeakPolarHBondContact O-CB 3.44Å; Q412-D416 VanDerWaalsContact O-CG 3.24Å; Q412-D416 PolarHBondContact O-N 2.98Å; K414-D416 PolarHBondContact O-N 2.97Å; D416-K419 PolarHBondContact O-N 3.02Å; D416-M420 WeakPolarHBondContact O-CG 3.13Å; D416-M420 PolarHBondContact O-N 3.16Å; D416-M420 VanDerWaalsContact O-N 3.09Å
417	V	91.8	Very high	91.3	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-68.7	-38.8	179.8	176.5	0	0	0	0	111.7	L358 L413 K414 K419 M420 N421 C460	L358-V417 HydrophobicContact CD1-CG2 4.34Å; L358-V417 HydrophobicContact CD2-CG2 3.84Å; L413-V417 WeakPolarHBondContact O-CG2 3.44Å; L413-V417 PolarHBondContact O-N 3.48Å; K414-V417 PolarHBondContact O-N 2.83Å; V417-K419 VanDerWaalsContact C-N 3.33Å; V417-K419 PolarHBondContact O-N 2.88Å; V417-M420 HydrophobicContact CB-CE 4.36Å; V417-M420 HydrophobicContact CG1-CE 4.4Å; V417-M420 HydrophobicContact CG2-CE 4.06Å; V417-M420 PolarHBondContact O-N 3.24Å; V417-N421 PolarHBondContact O-N 2.92Å; V417-C460 HydrophobicContact CB-CB 4.22Å; V417-C460 HydrophobicContact CG1-CB 4Å; V417-C460 HydrophobicContact CG2-CB 4.5Å
418	E	92.1	Very high	90.3	Very high	90 Å²	90	47.3 Å²	47.3	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-39.5	177.8	-158.4	-137.3	-163.3	0	0	111.5	K414 N421 K422	K414-E418 WeakPolarHBondContact O-CB 3.14Å; K414-E418 PolarHBondContact O-N 2.83Å; E418-N421 PolarHBondContact O-N 3.31Å; E418-K422 WeakPolarHBondContact O-CB 3.33Å; E418-K422 WeakPolarHBondContact O-CG 3.34Å; E418-K422 PolarHBondContact O-N 3.06Å; E418-K422 WeakPolarHBondContact OE1-CE 3.41Å; E418-K422 IonicContact OE1-NZ 2.91Å; E418-K422 PolarHBondContact OE1-NZ 3.34Å; E418-K422 WeakPolarHBondContact OE2-CE 3.4Å; E418-K422 IonicContact OE2-NZ 2.97Å; E418-K422 PolarHBondContact OE2-NZ 3.28Å
419	K	90.9	Very high	89.1	Confident	102 Å²	102	48 Å²	48	44%	0.443	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-40.9	173.6	-70.1	159.8	-160.3	165	0	112.2	D415 D416 V417 K422 S423	D415-K419 WeakPolarHBondContact O-CB 3.45Å; D415-K419 WeakPolarHBondContact O-CD 3.4Å; D415-K419 WeakPolarHBondContact O-CE 3.32Å; D415-K419 WeakPolarHBondContact O-CG 3.13Å; D415-K419 PolarHBondContact O-N 3.36Å; D415-K419 VanDerWaalsContact OD2-CE 3.31Å; D415-K419 WeakPolarHBondContact OD2-CE 3.47Å; D415-K419 IonicContact OD2-NZ 3.68Å; D415-K419 PolarHBondContact OD2-NZ 2.66Å; D416-K419 PolarHBondContact O-N 3.02Å; V417-K419 VanDerWaalsContact C-N 3.33Å; V417-K419 PolarHBondContact O-N 2.88Å; K419-K422 PolarHBondContact O-N 2.77Å; K419-S423 PolarHBondContact O-N 3.25Å
420	M	87.4	Confident	87.7	Confident	19 Å²	19	50.7 Å²	50.7	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-47.8	172.8	-67.7	-166.1	-53.7	0	0	111.8	I347 V352 L358 D416 V417 K422 S423 L424 Y458	I347-M420 HydrophobicContact CG2-CE 4.5Å; I347-M420 HydrophobicContact CG2-SD 4.25Å; V352-M420 HydrophobicContact CB-SD 4.34Å; V352-M420 HydrophobicContact CG1-SD 4.11Å; V352-M420 HydrophobicContact CG2-SD 3.47Å; V352-M420 WeakPolarHBondContact CG2-SD 3.39Å; L358-M420 HydrophobicContact CD2-CE 3.34Å; L358-M420 HydrophobicContact CD2-SD 3.95Å; D416-M420 WeakPolarHBondContact O-CG 3.13Å; D416-M420 PolarHBondContact O-N 3.16Å; D416-M420 VanDerWaalsContact O-N 3.09Å; V417-M420 HydrophobicContact CB-CE 4.36Å; V417-M420 HydrophobicContact CG1-CE 4.4Å; V417-M420 HydrophobicContact CG2-CE 4.06Å; V417-M420 PolarHBondContact O-N 3.24Å; M420-K422 PolarHBondContact O-N 3.43Å; M420-S423 WeakPolarHBondContact O-CB 3.35Å; M420-S423 PolarHBondContact O-N 2.93Å; M420-S423 VanDerWaalsContact O-N 3.15Å; M420-L424 PolarHBondContact O-N 2.8Å; M420-Y458 HydrophobicContact CB-CD2 4.01Å; M420-Y458 HydrophobicContact CB-CE2 4.35Å; M420-Y458 HydrophobicContact CE-CD2 3.71Å; M420-Y458 HydrophobicContact CE-CE2 4.28Å; M420-Y458 HydrophobicContact CE-CG 4.1Å; M420-Y458 HydrophobicContact SD-CD2 4.3Å; M420-Y458 HydrophobicContact SD-CE2 4.34Å
421	N	89.4	Confident	86	Confident	36 Å²	36	55.1 Å²	55.1	19%	0.193	32%	0.315	C	S	.	.	H	α-helix	trans	-64.8	-38.4	-179.2	-74	-19.2	0	0	0	112.4	V417 E418 L424 A425 I457 Y458	V417-N421 PolarHBondContact O-N 2.92Å; E418-N421 PolarHBondContact O-N 3.31Å; N421-L424 PolarHBondContact O-N 2.73Å; N421-A425 WeakPolarHBondContact O-CB 3.43Å; N421-A425 PolarHBondContact O-N 2.96Å; N421-I457 HydrophobicContact CB-CG2 4.48Å; N421-Y458 PolarHBondContact ND2-O 2.94Å; N421-Y458 WeakPolarHBondContact OD1-CB 3.43Å; N421-Y458 PolarHBondContact OD1-N 2.93Å
422	K	88.8	Confident	84.3	Confident	110 Å²	110	56.2 Å²	56.2	48%	0.478	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-41.3	171.5	-75.4	170.8	176.7	171.6	0	111.8	E418 K419 M420 A425 I426	E418-K422 WeakPolarHBondContact O-CB 3.33Å; E418-K422 WeakPolarHBondContact O-CG 3.34Å; E418-K422 PolarHBondContact O-N 3.06Å; E418-K422 WeakPolarHBondContact OE1-CE 3.41Å; E418-K422 IonicContact OE1-NZ 2.91Å; E418-K422 PolarHBondContact OE1-NZ 3.34Å; E418-K422 WeakPolarHBondContact OE2-CE 3.4Å; E418-K422 IonicContact OE2-NZ 2.97Å; E418-K422 PolarHBondContact OE2-NZ 3.28Å; K419-K422 PolarHBondContact O-N 2.77Å; M420-K422 PolarHBondContact O-N 3.43Å; K422-A425 PolarHBondContact O-N 2.79Å; K422-I426 WeakPolarHBondContact O-CD1 3.44Å; K422-I426 VanDerWaalsContact O-CG1 3.29Å; K422-I426 WeakPolarHBondContact O-CG1 3.39Å; K422-I426 PolarHBondContact O-N 2.96Å; K422-I426 VanDerWaalsContact O-N 3.1Å
423	S	85.6	Confident	82.3	Confident	56 Å²	56	59.7 Å²	59.7	39%	0.392	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-46	174.8	-161.7	0	0	0	0	112.1	K419 M420 A425 I426 D427	K419-S423 PolarHBondContact O-N 3.25Å; M420-S423 WeakPolarHBondContact O-CB 3.35Å; M420-S423 PolarHBondContact O-N 2.93Å; M420-S423 VanDerWaalsContact O-N 3.15Å; S423-A425 VanDerWaalsContact C-N 3.34Å; S423-A425 PolarHBondContact O-N 2.63Å; S423-I426 PolarHBondContact O-N 3.41Å; S423-D427 VanDerWaalsContact O-CG 3.26Å; S423-D427 PolarHBondContact O-N 3.09Å
424	L	82.5	Confident	80.2	Confident	24 Å²	24	64.5 Å²	64.5	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-40.8	177	-71	-178.2	0	0	0	112.5	M420 N421 I426 D427 T428 Y458	M420-L424 PolarHBondContact O-N 2.8Å; N421-L424 PolarHBondContact O-N 2.73Å; L424-I426 VanDerWaalsContact C-N 3.31Å; L424-I426 PolarHBondContact O-N 3.38Å; L424-D427 PolarHBondContact O-N 2.97Å; L424-T428 WeakPolarHBondContact O-CB 3.45Å; L424-T428 PolarHBondContact O-N 2.82Å; L424-T428 PolarHBondContact O-OG1 2.97Å; L424-Y458 HydrophobicContact CD1-CD2 3.77Å; L424-Y458 HydrophobicContact CD1-CE2 3.43Å; L424-Y458 VanDerWaalsContact CD1-CE2 3.43Å; L424-Y458 HydrophobicContact CG-CE2 4.25Å
425	A	82.5	Confident	78	Confident	61 Å²	61	66.8 Å²	66.8	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-36.3	176.8	0	0	0	0	0	112.3	N421 K422 S423 A429	N421-A425 WeakPolarHBondContact O-CB 3.43Å; N421-A425 PolarHBondContact O-N 2.96Å; K422-A425 PolarHBondContact O-N 2.79Å; S423-A425 VanDerWaalsContact C-N 3.34Å; S423-A425 PolarHBondContact O-N 2.63Å; A425-A429 VanDerWaalsContact O-CB 3.28Å; A425-A429 WeakPolarHBondContact O-CB 3.34Å; A425-A429 PolarHBondContact O-N 3.11Å
426	I	83.2	Confident	75.6	Confident	115 Å²	115	69 Å²	69	59%	0.59	43%	0.425	S	S	*	.	H	α-helix	trans	-69.7	-46	174.7	-67.8	163.7	0	0	0	110.9	K422 S423 L424 T428 A429 A430	K422-I426 WeakPolarHBondContact O-CD1 3.44Å; K422-I426 VanDerWaalsContact O-CG1 3.29Å; K422-I426 WeakPolarHBondContact O-CG1 3.39Å; K422-I426 PolarHBondContact O-N 2.96Å; K422-I426 VanDerWaalsContact O-N 3.1Å; S423-I426 PolarHBondContact O-N 3.41Å; L424-I426 VanDerWaalsContact C-N 3.31Å; L424-I426 PolarHBondContact O-N 3.38Å; I426-T428 VanDerWaalsContact C-N 3.32Å; I426-T428 PolarHBondContact O-N 2.76Å; I426-A429 PolarHBondContact O-N 3.07Å; I426-A430 WeakPolarHBondContact O-CB 3.16Å; I426-A430 PolarHBondContact O-N 3.38Å
427	D	79.8	Confident	73.2	Confident	61 Å²	61	74.9 Å²	74.9	33%	0.326	46%	0.462	S	S	.	.	H	α-helix	trans	-55.9	-48	176.1	-66.2	-13.2	0	0	0	110.6	K351 S423 L424 A430 S431	K351-D427 IonicContact NZ-OD2 2.75Å; K351-D427 PolarHBondContact NZ-OD2 2.99Å; S423-D427 VanDerWaalsContact O-CG 3.26Å; S423-D427 PolarHBondContact O-N 3.09Å; L424-D427 PolarHBondContact O-N 2.97Å; D427-A430 PolarHBondContact O-N 2.88Å; D427-S431 PolarHBondContact O-N 2.78Å; D427-S431 VanDerWaalsContact O-N 3.08Å; D427-S431 PolarHBondContact O-OG 2.82Å
428	T	75.5	Confident	70.4	Confident	55 Å²	55	80.4 Å²	80.4	34%	0.337	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-44.6	178.8	-52	0	0	0	0	111.7	L424 I426 S431 S432	L424-T428 WeakPolarHBondContact O-CB 3.45Å; L424-T428 PolarHBondContact O-N 2.82Å; L424-T428 PolarHBondContact O-OG1 2.97Å; I426-T428 VanDerWaalsContact C-N 3.32Å; I426-T428 PolarHBondContact O-N 2.76Å; T428-S431 PolarHBondContact O-N 2.91Å; T428-S432 PolarHBondContact O-N 3.28Å; T428-S432 VanDerWaalsContact O-N 3.08Å
429	A	71.8	Confident	67.8	Low	54 Å²	54	83 Å²	83	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-42.5	178.9	0	0	0	0	0	111.8	A425 I426 S432 S433	A425-A429 VanDerWaalsContact O-CB 3.28Å; A425-A429 WeakPolarHBondContact O-CB 3.34Å; A425-A429 PolarHBondContact O-N 3.11Å; I426-A429 PolarHBondContact O-N 3.07Å; A429-S432 PolarHBondContact O-N 3.47Å; A429-S432 PolarHBondContact O-OG 3.25Å; A429-S433 PolarHBondContact O-N 3.38Å
430	A	68.7	Low	65.5	Low	57 Å²	57	85.3 Å²	85.3	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-59.4	-50.6	176	0	0	0	0	0	111.2	I426 D427 S432 S433	I426-A430 WeakPolarHBondContact O-CB 3.16Å; I426-A430 PolarHBondContact O-N 3.38Å; D427-A430 PolarHBondContact O-N 2.88Å; A430-S432 PolarHBondContact O-N 2.97Å; A430-S433 PolarHBondContact O-N 3.09Å; A430-S433 VanDerWaalsContact O-N 3.09Å; A430-S433 PolarHBondContact O-OG 3.25Å
431	S	63.5	Low	64.4	Low	93 Å²	93	89.6 Å²	89.6	65%	0.65	56%	0.563	S	S	*	*	H	α-helix	trans	-60.5	-28.6	177.3	-67.9	0	0	0	0	113.9	D427 T428 S433 S434	D427-S431 PolarHBondContact O-N 2.78Å; D427-S431 VanDerWaalsContact O-N 3.08Å; D427-S431 PolarHBondContact O-OG 2.82Å; T428-S431 PolarHBondContact O-N 2.91Å; S431-S433 VanDerWaalsContact C-N 3.3Å; S431-S433 PolarHBondContact O-N 3.46Å; S431-S434 PolarHBondContact O-OG 2.88Å
432	S	60	Low	62.3	Low	85 Å²	85	94 Å²	94	59%	0.594	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-10.7	177.5	73.8	0	0	0	0	114.8	T428 A429 A430	T428-S432 PolarHBondContact O-N 3.28Å; T428-S432 VanDerWaalsContact O-N 3.08Å; A429-S432 PolarHBondContact O-N 3.47Å; A429-S432 PolarHBondContact O-OG 3.25Å; A430-S432 PolarHBondContact O-N 2.97Å
433	S	55.4	Low	60	Low	91 Å²	91	98.3 Å²	98.3	64%	0.636	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-6.2	-170.1	70.1	0	0	0	0	115.3	A429 A430 S431	A429-S433 PolarHBondContact O-N 3.38Å; A430-S433 PolarHBondContact O-N 3.09Å; A430-S433 VanDerWaalsContact O-N 3.09Å; A430-S433 PolarHBondContact O-OG 3.25Å; S431-S433 VanDerWaalsContact C-N 3.3Å; S431-S433 PolarHBondContact O-N 3.46Å
434	S	51.8	Low	57.6	Low	101 Å²	101	100.2 Å²	100.2	71%	0.706	63%	0.634	S	S	*	*	S	Bend	trans	-97.4	5.6	-170.9	53.5	0	0	0	0	115.4	S431	S431-S434 PolarHBondContact O-OG 2.88Å
435	S	49.1	Very low	55.8	Low	98 Å²	98	106.1 Å²	106.1	69%	0.685	67%	0.671	S	S	*	*			trans	-109.5	73.3	-172.3	62.7	0	0	0	0	114
436	V	44.7	Very low	53.5	Low	121 Å²	121	107.6 Å²	107.6	73%	0.733	68%	0.683	S	S	*	*			trans	-141.2	121.6	169.7	-158	0	0	0	0	111.5
437	T	42.2	Very low	51	Low	140 Å²	140	108.1 Å²	108.1	86%	0.859	69%	0.692	S	S	*	*			trans	67.5	145.8	-177.6	74.7	0	0	0	0	115.3
438	C	34.2	Very low	49.3	Very low	120 Å²	120	111.9 Å²	111.9	81%	0.811	72%	0.72	S	S	*	*			cis	-144.2	-173.2	5.5	49.1	0	0	0	0	111.9
439	D	37.8	Very low	47.5	Very low	143 Å²	143	112.2 Å²	112.2	77%	0.765	73%	0.734	S	S	*	*			trans	-78.1	145.1	-155.7	-58.8	-105.7	0	0	0	120
440	N	42.5	Very low	46	Very low	152 Å²	152	117.3 Å²	117.3	81%	0.813	75%	0.754	S	S	*	*			trans	78.8	154.5	145.1	-76.5	-44	0	0	0	121.4
441	P	63.1	Low	44.6	Very low	109 Å²	109	123.5 Å²	123.5	71%	0.708	77%	0.773	S	S	*	*			trans	-105.3	172.8	-152.5	41.8	-37.3	0	0	0	115.3
442	P	45.2	Very low	43.7	Very low	127 Å²	127	122.7 Å²	122.7	83%	0.825	77%	0.772	S	S	*	*				-136.9	-178	107.3	40.3	-30.6	0	0	0	114.6
443	E	41	Very low	43	Very low	201 Å²	201	123.5 Å²	123.5	94%	0.939	77%	0.769	S	S	*	*			trans	-73	131.5	-168.7	-59.1	163.9	120.7	0	0	114.8
444	A	35.5	Very low	42.6	Very low	96 Å²	96	123.9 Å²	123.9	79%	0.793	77%	0.768	S	S	*	*			trans	-150	134	155.1	0	0	0	0	0	109.2	A446	A444-A446 PolarHBondContact O-N 3.43Å; A444-A446 VanDerWaalsContact O-N 3.17Å
445	V	44.6	Very low	42.6	Very low	148 Å²	148	123.4 Å²	123.4	90%	0.897	77%	0.765	S	S	*	*			trans	-79.5	101.2	-176.6	179.7	0	0	0	0	110.2
446	A	33.1	Very low	43.4	Very low	92 Å²	92	125.5 Å²	125.5	76%	0.76	76%	0.758	S	S	*	*			trans	-82.9	123.2	166.4	0	0	0	0	0	109.9	A444	A444-A446 PolarHBondContact O-N 3.43Å; A444-A446 VanDerWaalsContact O-N 3.17Å
447	T	32.2	Very low	45	Very low	126 Å²	126	125.8 Å²	125.8	77%	0.773	75%	0.754	S	S	*	*			trans	-71.6	129.9	172.8	44.7	0	0	0	0	110.7	G449	T447-G449 PolarHBondContact O-N 2.91Å
448	P	42.6	Very low	47	Very low	140 Å²	140	120.1 Å²	120.1	91%	0.909	72%	0.717	S	S	*	*			trans	-75.5	106.9	175.4	30.1	-32.7	0	0	0	110.6
449	G	39	Very low	49.5	Very low	62 Å²	62	117.7 Å²	117.7	64%	0.639	70%	0.698	S	S	*	*			trans	-156.4	141.5	174.6	0	0	0	0	0	111.2	T447 E451	T447-G449 PolarHBondContact O-N 2.91Å; G449-E451 PolarHBondContact O-N 3.4Å
450	D	40.5	Very low	52.1	Low	162 Å²	162	111.8 Å²	111.8	87%	0.866	67%	0.668	S	S	*	*			trans	58.4	39.6	172.2	-63.5	-10.3	0	0	0	119.1	A452	D450-A452 PolarHBondContact O-N 3Å
451	E	38.9	Very low	54.5	Low	187 Å²	187	104.7 Å²	104.7	87%	0.874	63%	0.63	S	S	*	*			trans	-72.2	75.6	151.5	-79.2	-65.8	159.1	0	0	110.1	G449 D453	G449-E451 PolarHBondContact O-N 3.4Å; E451-D453 PolarHBondContact O-N 2.64Å
452	A	44.1	Very low	56.1	Low	75 Å²	75	99.5 Å²	99.5	62%	0.62	60%	0.596	S	S	*	*			trans	-78.7	81.9	-165.7	0	0	0	0	0	114.9	D450 T454	D450-A452 PolarHBondContact O-N 3Å; A452-T454 VanDerWaalsContact C-N 3.33Å; A452-T454 PolarHBondContact O-N 3.04Å
453	D	44.9	Very low	58.4	Low	102 Å²	102	94.6 Å²	94.6	55%	0.545	57%	0.567	S	S	.	*			trans	32.2	52.9	160.8	-167.6	21.7	0	0	0	116.1	E451 S455 R456	E451-D453 PolarHBondContact O-N 2.64Å; D453-S455 PolarHBondContact O-N 3.22Å; D453-S455 VanDerWaalsContact O-N 3.11Å; D453-R456 WeakPolarHBondContact OD2-CD 3.36Å; D453-R456 IonicContact OD2-NH1 3.68Å
454	T	47.1	Very low	60.9	Low	100 Å²	100	86 Å²	86	61%	0.613	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.2	-172.3	53.8	0	0	0	0	114.4	A452	A452-T454 VanDerWaalsContact C-N 3.33Å; A452-T454 PolarHBondContact O-N 3.04Å
455	S	52.7	Low	63.8	Low	90 Å²	90	81.5 Å²	81.5	63%	0.629	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.1	-174	-159	0	0	0	0	114.2	D453 I457	D453-S455 PolarHBondContact O-N 3.22Å; D453-S455 VanDerWaalsContact O-N 3.11Å; S455-I457 PolarHBondContact O-N 2.9Å
456	R	65.9	Low	66.3	Low	142 Å²	142	74.4 Å²	74.4	54%	0.536	45%	0.448	S	S	.	.			trans	-79	105.3	-172.4	-167.4	165.9	-177.5	169.1	-0.9	113.4	D453 Y458	D453-R456 WeakPolarHBondContact OD2-CD 3.36Å; D453-R456 IonicContact OD2-NH1 3.68Å; R456-Y458 PolarHBondContact O-N 3.09Å
457	I	77.7	Confident	69.3	Low	128 Å²	128	71.3 Å²	71.3	66%	0.656	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-62.1	127	173.7	-58	176.3	0	0	0	110.3	N421 S455	N421-I457 HydrophobicContact CB-CG2 4.48Å; S455-I457 PolarHBondContact O-N 2.9Å
458	Y	84.3	Confident	72.4	Confident	20 Å²	20	65.3 Å²	65.3	8%	0.078	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-71.1	134.4	174.8	-60.5	-59.2	0	0	0	111.2	I347 T348 M420 N421 L424 R456	I347-Y458 HydrophobicContact CB-CE1 4.21Å; I347-Y458 HydrophobicContact CG1-CD1 3.85Å; I347-Y458 HydrophobicContact CG1-CE1 3.85Å; T348-Y458 PolarHBondContact N-OH 3.01Å; T348-Y458 VanDerWaalsContact N-OH 3.08Å; T348-Y458 PolarHBondContact OG1-OH 3.45Å; M420-Y458 HydrophobicContact CB-CD2 4.01Å; M420-Y458 HydrophobicContact CB-CE2 4.35Å; M420-Y458 HydrophobicContact CE-CD2 3.71Å; M420-Y458 HydrophobicContact CE-CE2 4.28Å; M420-Y458 HydrophobicContact CE-CG 4.1Å; M420-Y458 HydrophobicContact SD-CD2 4.3Å; M420-Y458 HydrophobicContact SD-CE2 4.34Å; N421-Y458 PolarHBondContact ND2-O 2.94Å; N421-Y458 WeakPolarHBondContact OD1-CB 3.43Å; N421-Y458 PolarHBondContact OD1-N 2.93Å; L424-Y458 HydrophobicContact CD1-CD2 3.77Å; L424-Y458 HydrophobicContact CD1-CE2 3.43Å; L424-Y458 VanDerWaalsContact CD1-CE2 3.43Å; L424-Y458 HydrophobicContact CG-CE2 4.25Å; R456-Y458 PolarHBondContact O-N 3.09Å
459	T	87.1	Confident	75	Confident	69 Å²	69	59.5 Å²	59.5	42%	0.423	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-85.9	123.7	179.4	-63.8	0	0	0	0	109.3	Q345 P461 V464	Q345-T459 PolarHBondContact NE2-O 2.95Å; Q345-T459 PolarHBondContact OE1-O 3.08Å; T459-P461 VanDerWaalsContact O-CD 3.26Å; T459-P461 WeakPolarHBondContact O-CD 3.2Å; T459-V464 HydrophobicContact CG2-CB 4.37Å; T459-V464 HydrophobicContact CG2-CG2 3.33Å
460	C	92.3	Very high	77.8	Confident	20 Å²	20	56.7 Å²	56.7	14%	0.135	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-69.6	121.3	179.4	-179	0	0	0	0	111	V417 V462 A463 V464	V417-C460 HydrophobicContact CB-CB 4.22Å; V417-C460 HydrophobicContact CG1-CB 4Å; V417-C460 HydrophobicContact CG2-CB 4.5Å; C460-V462 PolarHBondContact O-N 2.79Å; C460-A463 HydrophobicContact CB-CB 3.85Å; C460-A463 PolarHBondContact O-N 3.3Å; C460-A463 VanDerWaalsContact O-N 3.14Å; C460-V464 PolarHBondContact O-N 2.71Å
461	P	93.2	Very high	80.4	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.013	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-29.5	-180	-25.4	36.1	0	0	0	113.1	F338 D341 M342 T459 N465	F338-P461 HydrophobicContact CD2-CB 3.75Å; F338-P461 HydrophobicContact CE2-CB 3.85Å; D341-P461 HydrophobicContact CB-CB 4.1Å; D341-P461 HydrophobicContact CB-CG 4.36Å; M342-P461 HydrophobicContact CB-CG 4.15Å; M342-P461 HydrophobicContact CE-CG 4.42Å; T459-P461 VanDerWaalsContact O-CD 3.26Å; T459-P461 WeakPolarHBondContact O-CD 3.2Å; P461-N465 WeakPolarHBondContact O-CB 3.42Å; P461-N465 PolarHBondContact O-N 3.19Å; P461-N465 VanDerWaalsContact O-N 3.15Å; P461-N465 PolarHBondContact O-ND2 2.82Å
462	V	95.6	Very high	83.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-48.3	175.3	-177.3	0	0	0	0	111.1	F338 L410 L413 K414 C460 V464 N465 M466 E467	F338-V462 HydrophobicContact CE2-CG2 4.24Å; L410-V462 HydrophobicContact CB-CG1 4.02Å; L410-V462 HydrophobicContact CD2-CG1 4.11Å; L410-V462 HydrophobicContact CD2-CG2 3.96Å; L410-V462 HydrophobicContact CG-CG1 4.46Å; L413-V462 HydrophobicContact CB-CG2 3.73Å; L413-V462 HydrophobicContact CD1-CG2 4Å; K414-V462 HydrophobicContact CD-CG1 4.49Å; K414-V462 HydrophobicContact CG-CB 4.1Å; K414-V462 HydrophobicContact CG-CG1 4.19Å; C460-V462 PolarHBondContact O-N 2.79Å; V462-V464 PolarHBondContact O-N 3.17Å; V462-N465 PolarHBondContact O-N 2.88Å; V462-M466 HydrophobicContact CG1-CB 4.25Å; V462-M466 PolarHBondContact O-N 2.92Å; V462-E467 PolarHBondContact O-N 3.17Å; V462-E467 VanDerWaalsContact O-N 3.15Å
463	A	94.3	Very high	85.6	Confident	24 Å²	24	42 Å²	42	20%	0.198	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-24.5	-176.8	0	0	0	0	0	113.9	C460 K541	C460-A463 HydrophobicContact CB-CB 3.85Å; C460-A463 PolarHBondContact O-N 3.3Å; C460-A463 VanDerWaalsContact O-N 3.14Å; A463-K541 PolarHBondContact O-NZ 3.24Å
464	V	93.4	Very high	88.1	Confident	22 Å²	22	38 Å²	38	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-92.9	-33.4	177.9	168.7	0	0	0	0	113.2	T459 C460 V462 V589	T459-V464 HydrophobicContact CG2-CB 4.37Å; T459-V464 HydrophobicContact CG2-CG2 3.33Å; C460-V464 PolarHBondContact O-N 2.71Å; V462-V464 PolarHBondContact O-N 3.17Å; V464-V589 HydrophobicContact CG1-CB 4.27Å; V464-V589 HydrophobicContact CG1-CG1 4.39Å
465	N	96	Very high	90.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-95.8	-45	-176.2	-66.9	-82.3	0	0	0	113.6	S337 F338 D341 P461 V462 R544 V545	S337-N465 WeakPolarHBondContact CB-OD1 3.34Å; S337-N465 PolarHBondContact OG-OD1 2.75Å; F338-N465 HydrophobicContact CB-CB 4.41Å; F338-N465 PolarHBondContact N-OD1 3.12Å; D341-N465 PolarHBondContact OD2-ND2 2.8Å; P461-N465 WeakPolarHBondContact O-CB 3.42Å; P461-N465 PolarHBondContact O-N 3.19Å; P461-N465 VanDerWaalsContact O-N 3.15Å; P461-N465 PolarHBondContact O-ND2 2.82Å; V462-N465 PolarHBondContact O-N 2.88Å; N465-R544 PolarHBondContact O-N 2.59Å; N465-R544 VanDerWaalsContact OD1-CD 3.24Å; N465-R544 WeakPolarHBondContact OD1-CD 3.49Å; N465-R544 PolarHBondContact OD1-NH1 2.78Å; N465-V545 PolarHBondContact O-N 2.98Å
466	M	96.9	Very high	92.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-31.7	-169.8	-54.2	-52.2	-163.7	0	0	113.7	L332 L335 L410 V462 F468 P543 V545 I547 F920	L332-M466 HydrophobicContact CD2-CE 3.69Å; L335-M466 HydrophobicContact CD1-CE 3.23Å; L410-M466 HydrophobicContact CD2-CG 4.44Å; V462-M466 HydrophobicContact CG1-CB 4.25Å; V462-M466 PolarHBondContact O-N 2.92Å; M466-F468 WeakPolarHBondContact O-CD1 3.31Å; M466-F468 PolarHBondContact O-N 3.24Å; M466-P543 WeakPolarHBondContact O-CB 3.5Å; M466-V545 HydrophobicContact CE-CB 4.49Å; M466-V545 HydrophobicContact CE-CG1 4.31Å; M466-V545 HydrophobicContact SD-CB 3.72Å; M466-V545 HydrophobicContact SD-CG1 3.9Å; M466-I547 HydrophobicContact CB-CD1 4.5Å; M466-I547 HydrophobicContact CE-CD1 3.89Å; M466-I547 HydrophobicContact CE-CG1 4.44Å; M466-I547 HydrophobicContact CG-CD1 4.13Å; M466-I547 HydrophobicContact SD-CD1 3.73Å; M466-I547 HydrophobicContact SD-CG1 3.98Å; M466-F920 HydrophobicContact CE-CD1 4.33Å; M466-F920 HydrophobicContact CE-CE1 4.18Å
467	E	96.7	Very high	93.9	Very high	26 Å²	26	29.3 Å²	29.3	12%	0.121	16%	0.156	C	C	.	.			trans	-77.8	128.5	-169.1	-177.6	-165	88.4	0	0	112.7	K414 V462 F489 K541	K414-E467 IonicContact NZ-OE2 3.19Å; K414-E467 PolarHBondContact NZ-OE2 3.11Å; V462-E467 PolarHBondContact O-N 3.17Å; V462-E467 VanDerWaalsContact O-N 3.15Å; E467-F489 CarbonylContact C-O 3.53Å; E467-F489 VanDerWaalsContact CA-O 3.27Å; E467-F489 WeakPolarHBondContact CA-O 3.35Å; E467-K541 VanDerWaalsContact O-CE 3.28Å; E467-K541 WeakPolarHBondContact O-CE 3.43Å; E467-K541 PolarHBondContact O-NZ 3.04Å; E467-K541 IonicContact OE1-NZ 2.67Å; E467-K541 PolarHBondContact OE1-NZ 3.08Å
468	F	97.3	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	169.9	176.2	60.4	-89	0	0	0	111.5	M466 V470 Q488 F489 L492 F539 K541 P543 L546	M466-F468 WeakPolarHBondContact O-CD1 3.31Å; M466-F468 PolarHBondContact O-N 3.24Å; F468-V470 HydrophobicContact CD2-CG2 4.05Å; F468-V470 HydrophobicContact CE2-CG2 4.02Å; F468-Q488 WeakPolarHBondContact O-CA 3.44Å; F468-F489 HydrophobicContact CD1-CB 4.38Å; F468-F489 WeakPolarHBondContact CD1-O 3.48Å; F468-F489 HydrophobicContact CD2-CB 4.02Å; F468-F489 HydrophobicContact CD2-CD2 4.44Å; F468-F489 HydrophobicContact CE1-CB 3.84Å; F468-F489 HydrophobicContact CE2-CB 3.44Å; F468-F489 VanDerWaalsContact CE2-CB 3.44Å; F468-F489 HydrophobicContact CE2-CD2 4.02Å; F468-F489 AromaticContact CE2-CG 3.97Å; F468-F489 HydrophobicContact CE2-CG 3.97Å; F468-F489 HydrophobicContact CG-CB 4.44Å; F468-F489 HydrophobicContact CZ-CB 3.31Å; F468-F489 HydrophobicContact CZ-CG 4.17Å; F468-F489 PolarHBondContact N-O 2.95Å; F468-F489 PolarHBondContact O-N 2.93Å; F468-L492 HydrophobicContact CE2-CD2 3.79Å; F468-L492 HydrophobicContact CE2-CG 4.2Å; F468-L492 HydrophobicContact CZ-CD1 4.4Å; F468-L492 HydrophobicContact CZ-CD2 3.55Å; F468-L492 HydrophobicContact CZ-CG 3.65Å; F468-F539 AromaticContact CD2-CD1 3.9Å; F468-F539 HydrophobicContact CD2-CD1 3.9Å; F468-F539 AromaticContact CD2-CE1 3.53Å; F468-F539 HydrophobicContact CD2-CE1 3.53Å; F468-F539 AromaticContact CE2-CE1 3.79Å; F468-F539 HydrophobicContact CE2-CE1 3.79Å; F468-F539 HydrophobicContact CG-CE1 4.25Å; F468-K541 VanDerWaalsContact CB-O 3.26Å; F468-K541 WeakPolarHBondContact CB-O 3.42Å; F468-P543 HydrophobicContact CB-CB 4.03Å; F468-P543 HydrophobicContact CB-CG 3.93Å; F468-P543 HydrophobicContact CD1-CB 4.12Å; F468-P543 HydrophobicContact CD1-CG 3.84Å; F468-P543 HydrophobicContact CG-CG 4.17Å; F468-L546 HydrophobicContact CD1-CD1 4.44Å; F468-L546 HydrophobicContact CE1-CD1 4.05Å; F468-L546 HydrophobicContact CZ-CD1 4.33Å
469	E	97.3	Very high	95.1	Very high	18 Å²	18	29.3 Å²	29.3	8%	0.084	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.3	-178.1	-167.8	-166.5	49.3	0	0	108.9	R486 E487 Q488 S540 K541 R586	E469-R486 HydrophobicContact CG-CB 4.24Å; E469-R486 IonicContact OE1-NE 3.95Å; E469-R486 IonicContact OE2-NE 3.24Å; E469-R486 PolarHBondContact OE2-NE 2.91Å; E469-E487 CarbonylContact C-O 3.53Å; E469-E487 VanDerWaalsContact CA-O 3.29Å; E469-E487 WeakPolarHBondContact CA-O 3.25Å; E469-E487 WeakPolarHBondContact CG-O 3.37Å; E469-Q488 HydrophobicContact CB-CG 4.5Å; E469-Q488 HydrophobicContact CG-CG 4.23Å; E469-S540 WeakPolarHBondContact CB-OG 3.25Å; E469-S540 VanDerWaalsContact CD-OG 3.24Å; E469-S540 VanDerWaalsContact CG-OG 3.28Å; E469-S540 WeakPolarHBondContact CG-OG 3.21Å; E469-S540 PolarHBondContact O-N 2.9Å; E469-S540 PolarHBondContact O-OG 3.19Å; E469-S540 WeakPolarHBondContact OE1-CB 3.43Å; E469-S540 PolarHBondContact OE1-OG 2.6Å; E469-K541 HydrophobicContact CB-CB 3.65Å; E469-K541 PolarHBondContact N-O 2.88Å; E469-K541 VanDerWaalsContact N-O 3.12Å; E469-K541 PolarHBondContact O-N 3.41Å; E469-R586 IonicContact OE1-CZ 3.46Å; E469-R586 IonicContact OE1-NH2 2.73Å; E469-R586 PolarHBondContact OE1-NH2 3.22Å; E469-R586 IonicContact OE2-NH2 3.99Å
470	V	97.1	Very high	95.5	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.6	175	-179.1	0	0	0	0	108.4	F468 R486 E487 F489 F516 H537 K538 F539	F468-V470 HydrophobicContact CD2-CG2 4.05Å; F468-V470 HydrophobicContact CE2-CG2 4.02Å; V470-R486 WeakPolarHBondContact O-CA 3.47Å; V470-E487 PolarHBondContact N-O 3.5Å; V470-E487 PolarHBondContact O-N 2.7Å; V470-F489 HydrophobicContact CB-CD2 4.34Å; V470-F489 HydrophobicContact CB-CE2 3.95Å; V470-F489 HydrophobicContact CG2-CD2 3.97Å; V470-F489 HydrophobicContact CG2-CE2 3.99Å; V470-F516 HydrophobicContact CG1-CE1 4.12Å; V470-F516 HydrophobicContact CG2-CE1 4.18Å; V470-F516 HydrophobicContact CG2-CZ 4.45Å; V470-H537 HydrophobicContact CG1-CB 4.13Å; V470-K538 CarbonylContact C-O 3.59Å; V470-K538 WeakPolarHBondContact CA-O 3.19Å; V470-F539 HydrophobicContact CG2-CD1 4.29Å; V470-F539 HydrophobicContact CG2-CE1 4.4Å
471	Q	96.4	Very high	95.6	Very high	56 Å²	56	30.1 Å²	30.1	26%	0.262	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.4	168.2	-173.6	167.7	-54.2	0	0	109.9	N484 K485 R486 K538	Q471-N484 PolarHBondContact NE2-OD1 3.37Å; Q471-K485 CarbonylContact C-O 3.59Å; Q471-K485 WeakPolarHBondContact CA-O 3.26Å; Q471-R486 HydrophobicContact CB-CG 3.97Å; Q471-R486 HydrophobicContact CG-CG 3.98Å; Q471-K538 PolarHBondContact N-O 2.84Å; Q471-K538 PolarHBondContact O-N 2.77Å
472	H	95.9	Very high	95.7	Very high	24 Å²	24	33.2 Å²	33.2	11%	0.111	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.8	177.5	-56.4	-127.6	0	0	0	106.8	N484 K485 E487 V535 H537	H472-N484 WeakPolarHBondContact O-CA 3.38Å; H472-K485 HydrophobicContact CB-CB 4.34Å; H472-K485 PolarHBondContact N-O 3.39Å; H472-K485 PolarHBondContact O-N 2.83Å; H472-E487 IonicContact CE1-OE2 3.96Å; H472-E487 IonicContact NE2-OE2 3.32Å; H472-V535 HydrophobicContact CB-CG2 4.18Å; H472-H537 AromaticContact CE1-CE1 3.94Å; H472-H537 AromaticContact CE1-ND1 3.6Å; H472-H537 AromaticContact CG-ND1 3.87Å; H472-H537 AromaticContact ND1-CE1 3.4Å; H472-H537 PolarHBondContact ND1-CE1 2.74Å; H472-H537 AromaticContact ND1-ND1 3.26Å; H472-H537 PolarHBondContact ND1-ND1 3.39Å
473	T	96.1	Very high	95.7	Very high	34 Å²	34	35.6 Å²	35.6	21%	0.209	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	97.3	-177.7	-53.5	0	0	0	0	108.2	V482 N484 V535 T536	T473-V482 HydrophobicContact CG2-CG1 3.56Å; T473-N484 PolarHBondContact OG1-OD1 2.79Å; T473-V535 WeakPolarHBondContact O-CA 3.38Å; T473-T536 PolarHBondContact N-O 3.35Å; T473-T536 PolarHBondContact O-N 3.11Å
474	I	96.1	Very high	95.8	Very high	20 Å²	20	38.3 Å²	38.3	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.7	-178.4	-58.4	172	0	0	0	108.5	V482 V483 I521 Y523 A533 T534 V535	I474-V482 CarbonylContact O-C 3.56Å; I474-V482 WeakPolarHBondContact O-CA 3.3Å; I474-V483 HydrophobicContact CB-CB 4.45Å; I474-V483 PolarHBondContact N-O 2.91Å; I474-V483 PolarHBondContact O-N 3.3Å; I474-I521 HydrophobicContact CD1-CD1 4.42Å; I474-I521 HydrophobicContact CG1-CD1 4.36Å; I474-I521 HydrophobicContact CG2-CD1 4.22Å; I474-Y523 HydrophobicContact CG2-CD1 3.7Å; I474-Y523 HydrophobicContact CG2-CD2 4.43Å; I474-Y523 HydrophobicContact CG2-CE1 4.05Å; I474-Y523 HydrophobicContact CG2-CG 3.91Å; I474-A533 HydrophobicContact CG2-CB 3.65Å; I474-T534 CarbonylContact C-O 3.57Å; I474-T534 WeakPolarHBondContact CA-O 3.39Å; I474-V535 HydrophobicContact CG1-CB 4.22Å; I474-V535 HydrophobicContact CG1-CG2 3.84Å
475	T	96.6	Very high	95.9	Very high	42 Å²	42	42.8 Å²	42.8	26%	0.258	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.4	-179.3	-55	0	0	0	0	110.5	K477 E481 V482 A533 T534	T475-K477 PolarHBondContact O-N 2.77Å; T475-E481 CarbonylContact C-O 3.52Å; T475-E481 WeakPolarHBondContact CA-O 3.5Å; T475-V482 HydrophobicContact CG2-CG2 4.09Å; T475-A533 CarbonylContact O-C 3.55Å; T475-A533 VanDerWaalsContact O-CA 3.25Å; T475-A533 WeakPolarHBondContact O-CA 3.46Å; T475-A533 WeakPolarHBondContact O-CB 3.3Å; T475-T534 PolarHBondContact N-O 3.29Å; T475-T534 PolarHBondContact O-N 3.13Å
476	C	96.2	Very high	95.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	123.6	179.8	177.6	0	0	0	0	111.6	C478 G480 E481 C525	C476-C478 VanDerWaalsContact C-N 3.26Å; C476-C478 PolarHBondContact O-N 2.88Å; C476-C478 PolarHBondContact SG-N 3.27Å; C476-C478 VanDerWaalsContact SG-N 3.42Å; C476-G480 WeakPolarHBondContact O-CA 3.46Å; C476-G480 PolarHBondContact O-N 3.38Å; C476-E481 HydrophobicContact CB-CB 4.41Å; C476-E481 PolarHBondContact N-O 2.77Å; C476-C525 HydrophobicContact CB-CB 3.82Å; C476-C525 WeakPolarHBondContact SG-CB 3.36Å; C476-C525 VanDerWaalsContact SG-SG 3.67Å
477	K	95	Very high	95.8	Very high	105 Å²	105	52.6 Å²	52.6	46%	0.457	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.8	179.5	-72.4	-164.1	172.7	-171.6	0	113.8	T475 E520 S532 T534	T475-K477 PolarHBondContact O-N 2.77Å; K477-E520 IonicContact NZ-OE1 2.98Å; K477-E520 PolarHBondContact NZ-OE1 3.05Å; K477-E520 IonicContact NZ-OE2 2.93Å; K477-E520 PolarHBondContact NZ-OE2 3.24Å; K477-S532 PolarHBondContact N-O 3.16Å; K477-T534 HydrophobicContact CG-CG2 4.42Å
478	C	93.5	Very high	95.8	Very high	84 Å²	84	57.4 Å²	57.4	57%	0.568	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-28.8	-174.4	-57.4	0	0	0	0	113.9	C476	C476-C478 VanDerWaalsContact C-N 3.26Å; C476-C478 PolarHBondContact O-N 2.88Å; C476-C478 PolarHBondContact SG-N 3.27Å; C476-C478 VanDerWaalsContact SG-N 3.42Å
479	C	94.9	Very high	95.8	Very high	63 Å²	63	60.1 Å²	60.1	43%	0.426	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-6.9	-174.6	68.2	0	0	0	0	115.4	E481 C525 C528	C479-E481 VanDerWaalsContact C-N 3.29Å; C479-E481 PolarHBondContact O-N 3.3Å; C479-C525 VanDerWaalsContact SG-SG 3.63Å; C479-C528 HydrophobicContact CB-CB 4.12Å
480	G	93.9	Very high	95.8	Very high	48 Å²	48	60.1 Å²	60.1	50%	0.495	32%	0.315	S	S	.	.			trans	75.9	10	-178.5	0	0	0	0	0	115.1	C476	C476-G480 WeakPolarHBondContact O-CA 3.46Å; C476-G480 PolarHBondContact O-N 3.38Å
481	E	95.3	Very high	95.9	Very high	59 Å²	59	61 Å²	61	28%	0.276	32%	0.319	S	S	.	.			trans	-64.7	135.3	175.6	-175.9	64.1	178.3	0	0	111.3	T475 C476 C479 K527	T475-E481 CarbonylContact C-O 3.52Å; T475-E481 WeakPolarHBondContact CA-O 3.5Å; C476-E481 HydrophobicContact CB-CB 4.41Å; C476-E481 PolarHBondContact N-O 2.77Å; C479-E481 VanDerWaalsContact C-N 3.29Å; C479-E481 PolarHBondContact O-N 3.3Å; E481-K527 HydrophobicContact CB-CD 4.43Å; E481-K527 VanDerWaalsContact CD-CD 3.5Å; E481-K527 HydrophobicContact CG-CD 3.96Å; E481-K527 HydrophobicContact CG-CG 4.4Å; E481-K527 WeakPolarHBondContact OE1-CE 3.45Å; E481-K527 IonicContact OE1-NZ 3.34Å; E481-K527 PolarHBondContact OE1-NZ 3.16Å; E481-K527 WeakPolarHBondContact OE2-CD 3.49Å; E481-K527 WeakPolarHBondContact OE2-CE 3.44Å; E481-K527 IonicContact OE2-NZ 2.65Å; E481-K527 PolarHBondContact OE2-NZ 2.65Å
482	V	96.1	Very high	95.9	Very high	66 Å²	66	58.4 Å²	58.4	40%	0.4	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.1	-178	-176	0	0	0	0	110.8	T473 I474 T475	T473-V482 HydrophobicContact CG2-CG1 3.56Å; I474-V482 CarbonylContact O-C 3.56Å; I474-V482 WeakPolarHBondContact O-CA 3.3Å; T475-V482 HydrophobicContact CG2-CG2 4.09Å
483	V	95.5	Very high	95.9	Very high	50 Å²	50	58.8 Å²	58.8	30%	0.303	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.3	175.8	179.9	0	0	0	0	109.3	I474	I474-V483 HydrophobicContact CB-CB 4.45Å; I474-V483 PolarHBondContact N-O 2.91Å; I474-V483 PolarHBondContact O-N 3.3Å
484	N	95.1	Very high	95.8	Very high	82 Å²	82	57.2 Å²	57.2	44%	0.439	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.3	-179.5	-71	-79.8	0	0	0	110.6	Q471 H472 T473	Q471-N484 PolarHBondContact NE2-OD1 3.37Å; H472-N484 WeakPolarHBondContact O-CA 3.38Å; T473-N484 PolarHBondContact OG1-OD1 2.79Å
485	K	95.1	Very high	95.3	Very high	116 Å²	116	60.6 Å²	60.6	50%	0.504	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.9	171.9	-166.6	-175.3	-176.6	-160.8	0	108.8	Q471 H472 E487	Q471-K485 CarbonylContact C-O 3.59Å; Q471-K485 WeakPolarHBondContact CA-O 3.26Å; H472-K485 HydrophobicContact CB-CB 4.34Å; H472-K485 PolarHBondContact N-O 3.39Å; H472-K485 PolarHBondContact O-N 2.83Å; K485-E487 HydrophobicContact CD-CG 4.45Å; K485-E487 VanDerWaalsContact CD-OE1 3.26Å; K485-E487 WeakPolarHBondContact CD-OE1 3.45Å; K485-E487 WeakPolarHBondContact CE-OE1 3.46Å; K485-E487 HydrophobicContact CG-CG 4.45Å; K485-E487 IonicContact NZ-OE1 3.86Å; K485-E487 PolarHBondContact NZ-OE1 3.07Å
486	R	96.1	Very high	94.4	Very high	149 Å²	149	59.1 Å²	59.1	56%	0.562	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.7	170.8	-69.9	-167	-55.6	-78.5	-9	110.1	E469 V470 Q471	E469-R486 HydrophobicContact CG-CB 4.24Å; E469-R486 IonicContact OE1-NE 3.95Å; E469-R486 IonicContact OE2-NE 3.24Å; E469-R486 PolarHBondContact OE2-NE 2.91Å; V470-R486 WeakPolarHBondContact O-CA 3.47Å; Q471-R486 HydrophobicContact CB-CG 3.97Å; Q471-R486 HydrophobicContact CG-CG 3.98Å
487	E	96.4	Very high	93	Very high	57 Å²	57	61.1 Å²	61.1	27%	0.266	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.7	-176.6	-65.1	-176.1	-169.7	0	0	110	E469 V470 H472 K485 F489	E469-E487 CarbonylContact C-O 3.53Å; E469-E487 VanDerWaalsContact CA-O 3.29Å; E469-E487 WeakPolarHBondContact CA-O 3.25Å; E469-E487 WeakPolarHBondContact CG-O 3.37Å; V470-E487 PolarHBondContact N-O 3.5Å; V470-E487 PolarHBondContact O-N 2.7Å; H472-E487 IonicContact CE1-OE2 3.96Å; H472-E487 IonicContact NE2-OE2 3.32Å; K485-E487 HydrophobicContact CD-CG 4.45Å; K485-E487 VanDerWaalsContact CD-OE1 3.26Å; K485-E487 WeakPolarHBondContact CD-OE1 3.45Å; K485-E487 WeakPolarHBondContact CE-OE1 3.46Å; K485-E487 HydrophobicContact CG-CG 4.45Å; K485-E487 IonicContact NZ-OE1 3.86Å; K485-E487 PolarHBondContact NZ-OE1 3.07Å; E487-F489 HydrophobicContact CB-CD2 4.46Å; E487-F489 HydrophobicContact CB-CE2 3.51Å; E487-F489 HydrophobicContact CB-CZ 3.77Å
488	Q	96.4	Very high	91.5	Very high	127 Å²	127	65.2 Å²	65.2	59%	0.593	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.8	-175.6	-67.9	179.5	0.5	0	0	110.4	F468 E469	F468-Q488 WeakPolarHBondContact O-CA 3.44Å; E469-Q488 HydrophobicContact CB-CG 4.5Å; E469-Q488 HydrophobicContact CG-CG 4.23Å
489	F	97.6	Very high	89.7	Confident	57 Å²	57	66.3 Å²	66.3	25%	0.25	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.4	-171.1	-61.7	-89.5	0	0	0	110.5	E467 F468 V470 E487	E467-F489 CarbonylContact C-O 3.53Å; E467-F489 VanDerWaalsContact CA-O 3.27Å; E467-F489 WeakPolarHBondContact CA-O 3.35Å; F468-F489 HydrophobicContact CD1-CB 4.38Å; F468-F489 WeakPolarHBondContact CD1-O 3.48Å; F468-F489 HydrophobicContact CD2-CB 4.02Å; F468-F489 HydrophobicContact CD2-CD2 4.44Å; F468-F489 HydrophobicContact CE1-CB 3.84Å; F468-F489 HydrophobicContact CE2-CB 3.44Å; F468-F489 VanDerWaalsContact CE2-CB 3.44Å; F468-F489 HydrophobicContact CE2-CD2 4.02Å; F468-F489 AromaticContact CE2-CG 3.97Å; F468-F489 HydrophobicContact CE2-CG 3.97Å; F468-F489 HydrophobicContact CG-CB 4.44Å; F468-F489 HydrophobicContact CZ-CB 3.31Å; F468-F489 HydrophobicContact CZ-CG 4.17Å; F468-F489 PolarHBondContact N-O 2.95Å; F468-F489 PolarHBondContact O-N 2.93Å; V470-F489 HydrophobicContact CB-CD2 4.34Å; V470-F489 HydrophobicContact CB-CE2 3.95Å; V470-F489 HydrophobicContact CG2-CD2 3.97Å; V470-F489 HydrophobicContact CG2-CE2 3.99Å; E487-F489 HydrophobicContact CB-CD2 4.46Å; E487-F489 HydrophobicContact CB-CE2 3.51Å; E487-F489 HydrophobicContact CB-CZ 3.77Å
490	N	97.3	Very high	87.7	Confident	18 Å²	18	67.7 Å²	67.7	10%	0.096	33%	0.328	C	S	.	.	S	Bend	trans	-100	-25.2	170.9	-61.9	-36.4	0	0	0	112.2	L410 D411 K414	L410-N490 HydrophobicContact CD1-CB 3.88Å; D411-N490 PolarHBondContact OD1-ND2 3.28Å; K414-N490 WeakPolarHBondContact CE-OD1 3.37Å; K414-N490 PolarHBondContact NZ-OD1 3.17Å
491	D	97.6	Very high	85.6	Confident	21 Å²	21	75.6 Å²	75.6	11%	0.112	35%	0.349	C	S	.	.			trans	-155.6	166.2	-175.1	66.1	-92.3	0	0	0	110	H403 I547	H403-D491 IonicContact CD2-OD2 2.77Å; H403-D491 IonicContact CE1-OD2 2.91Å; H403-D491 IonicContact NE2-OD1 3.54Å; H403-D491 IonicContact NE2-OD2 2.69Å; H403-D491 PolarHBondContact NE2-OD2 2.83Å; D491-I547 CarbonylContact C-O 3.57Å; D491-I547 VanDerWaalsContact CA-O 3.32Å; D491-I547 WeakPolarHBondContact CA-O 3.31Å; D491-I547 HydrophobicContact CB-CB 3.69Å; D491-I547 HydrophobicContact CB-CG2 3.69Å
492	L	97.3	Very high	83.5	Confident	3 Å²	3	79 Å²	79	2%	0.016	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.6	168.6	-59.3	175.9	0	0	0	110.5	F468 I494 L512 F515 F516 I547 L548 H549	F468-L492 HydrophobicContact CE2-CD2 3.79Å; F468-L492 HydrophobicContact CE2-CG 4.2Å; F468-L492 HydrophobicContact CZ-CD1 4.4Å; F468-L492 HydrophobicContact CZ-CD2 3.55Å; F468-L492 HydrophobicContact CZ-CG 3.65Å; L492-I494 HydrophobicContact CB-CD1 3.7Å; L492-I494 HydrophobicContact CB-CG1 4.24Å; L492-I494 HydrophobicContact CD1-CD1 4.24Å; L492-L512 HydrophobicContact CD1-CD1 3.71Å; L492-F515 HydrophobicContact CD1-CD1 4.42Å; L492-F515 HydrophobicContact CD1-CE1 4.25Å; L492-F515 HydrophobicContact CD2-CE1 3.79Å; L492-F515 HydrophobicContact CD2-CZ 4.01Å; L492-F515 HydrophobicContact CG-CE1 4.5Å; L492-F516 HydrophobicContact CD1-CE2 3.53Å; L492-F516 HydrophobicContact CD1-CZ 3.76Å; L492-I547 PolarHBondContact N-O 2.69Å; L492-L548 HydrophobicContact CB-CD2 3.83Å; L492-L548 HydrophobicContact CD1-CD2 3.94Å; L492-L548 HydrophobicContact CG-CD2 4.23Å; L492-H549 PolarHBondContact O-N 3.08Å
493	S	96.3	Very high	81.5	Confident	31 Å²	31	77.9 Å²	77.9	22%	0.217	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	91.4	173.7	-67.7	0	0	0	0	110.1	H403 H549 K551	H403-S493 PolarHBondContact CE1-OG 3.45Å; H403-S493 VanDerWaalsContact CE1-OG 3.3Å; H403-S493 PolarHBondContact NE2-OG 3.2Å; S493-H549 CarbonylContact C-O 3.59Å; S493-H549 WeakPolarHBondContact CA-O 3.36Å; S493-H549 WeakPolarHBondContact CB-ND1 3.31Å; S493-H549 PolarHBondContact OG-ND1 3.05Å; S493-K551 WeakPolarHBondContact O-CE 3.21Å
494	I	92.6	Very high	79.9	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.01	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.9	-172.5	-51.4	-62.3	0	0	0	111	L492 S511 L512 F515 L548 H549 L550 K551	L492-I494 HydrophobicContact CB-CD1 3.7Å; L492-I494 HydrophobicContact CB-CG1 4.24Å; L492-I494 HydrophobicContact CD1-CD1 4.24Å; I494-S511 WeakPolarHBondContact CG2-O 3.24Å; I494-L512 HydrophobicContact CD1-CD1 3.95Å; I494-F515 HydrophobicContact CD1-CB 3.77Å; I494-F515 HydrophobicContact CD1-CD1 4.06Å; I494-F515 HydrophobicContact CD1-CD2 3.7Å; I494-F515 HydrophobicContact CD1-CE2 4.3Å; I494-F515 HydrophobicContact CD1-CG 3.57Å; I494-L548 HydrophobicContact CG1-CD2 4.34Å; I494-H549 PolarHBondContact N-O 2.94Å; I494-L550 HydrophobicContact CB-CD2 4.16Å; I494-K551 PolarHBondContact O-N 2.89Å
495	D	86.5	Confident	78.6	Confident	90 Å²	90	78.6 Å²	78.6	48%	0.481	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.8	172.9	-62.3	-86.6	0	0	0	111.9	K551	D495-K551 HydrophobicContact CB-CD 4.37Å; D495-K551 VanDerWaalsContact CG-CD 3.43Å; D495-K551 WeakPolarHBondContact OD1-CD 3.08Å; D495-K551 IonicContact OD1-NZ 3.7Å; D495-K551 PolarHBondContact OD1-NZ 3.36Å; D495-K551 IonicContact OD2-NZ 3.21Å; D495-K551 PolarHBondContact OD2-NZ 3.08Å
496	L	78	Confident	77.9	Confident	11 Å²	11	74.8 Å²	74.8	6%	0.058	35%	0.354	C	S	.	.			trans	-95.2	115.1	174.8	-67.2	-176.1	0	0	0	110.2	R498 L550 R552 V569	L496-R498 PolarHBondContact O-N 2.81Å; L496-L550 HydrophobicContact CD2-CB 4.38Å; L496-L550 HydrophobicContact CD2-CD1 4.26Å; L496-L550 HydrophobicContact CD2-CD2 4.07Å; L496-L550 HydrophobicContact CD2-CG 4.47Å; L496-L550 HydrophobicContact CG-CB 4.49Å; L496-R552 HydrophobicContact CD1-CG 3.76Å; L496-V569 HydrophobicContact CD1-CG2 4.16Å; L496-V569 HydrophobicContact CD2-CG2 3.79Å
497	P	66.1	Low	77.7	Confident	45 Å²	45	68.5 Å²	68.5	29%	0.292	33%	0.333	S	S	.	.			trans	-63.1	125.7	-178.7	24.3	-33.6	0	0	0	110.7	R499 R506 L514 Q567	P497-R499 PolarHBondContact O-N 2.89Å; P497-R506 HydrophobicContact CG-CG 4.4Å; P497-L514 HydrophobicContact CB-CD1 4.34Å; P497-L514 HydrophobicContact CG-CD1 4Å; P497-Q567 PolarHBondContact O-NE2 2.89Å; P497-Q567 PolarHBondContact O-OE1 3.28Å
498	R	63.4	Low	77.5	Confident	191 Å²	191	65.8 Å²	65.8	72%	0.721	32%	0.321	S	S	*	.			trans	-62.1	120.4	-176	-62.6	179.5	-177.4	175.6	3.3	110.1	L496 K500	L496-R498 PolarHBondContact O-N 2.81Å; R498-K500 PolarHBondContact O-N 2.9Å
499	R	57.1	Low	77.4	Confident	106 Å²	106	60.3 Å²	60.3	40%	0.4	30%	0.295	S	S	.	.			trans	-72.8	110.6	-177.4	-61.2	-175	80.1	175	4.7	112.3	P497 L503 P504 L505 Q567	P497-R499 PolarHBondContact O-N 2.89Å; R499-L503 PolarHBondContact NH2-O 3.3Å; R499-P504 PolarHBondContact NH2-O 2.73Å; R499-L505 VanDerWaalsContact NH1-CD2 3.27Å; R499-Q567 HydrophobicContact CG-CG 4.43Å
500	K	52.7	Low	77	Confident	92 Å²	92	59 Å²	59	40%	0.4	29%	0.291	S	S	.	.			trans	-69.7	142.2	152.7	-68.6	169.7	-175.3	171.3	0	107.9	R498 T502 L503 E834 V836	R498-K500 PolarHBondContact O-N 2.9Å; K500-T502 PolarHBondContact O-N 3.39Å; K500-L503 PolarHBondContact O-N 3.38Å; K500-E834 WeakPolarHBondContact CE-OE2 3.48Å; K500-E834 IonicContact NZ-OE2 3.98Å; K500-E834 PolarHBondContact NZ-OE2 3.08Å; K500-V836 HydrophobicContact CD-CG2 3.65Å; K500-V836 VanDerWaalsContact NZ-CG2 3.26Å
501	K	49.8	Very low	76.7	Confident	214 Å²	214	58.2 Å²	58.2	93%	0.93	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-0.4	-152.8	-71.1	179.9	179.4	172.3	0	117.4
502	T	49.9	Very low	76.5	Confident	131 Å²	131	57.2 Å²	57.2	80%	0.804	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-10.8	-171.9	45.6	0	0	0	0	114.9	K500	K500-T502 PolarHBondContact O-N 3.39Å
503	L	54.8	Low	76.2	Confident	43 Å²	43	57.5 Å²	57.5	23%	0.225	28%	0.283	C	S	.	.			trans	-84.4	148.9	-171.3	-64.6	-176.8	0	0	0	113.9	R499 K500 V836 D838	R499-L503 PolarHBondContact NH2-O 3.3Å; K500-L503 PolarHBondContact O-N 3.38Å; L503-V836 HydrophobicContact CD1-CG1 4.13Å; L503-D838 WeakPolarHBondContact CD2-OD2 3.42Å
504	P	61.5	Low	75.9	Confident	85 Å²	85	58.2 Å²	58.2	55%	0.552	28%	0.284	S	S	*	.			trans	-60.5	171.3	179.8	24.9	-34.9	0	0	0	113.6	R499 R506	R499-P504 PolarHBondContact NH2-O 2.73Å; P504-R506 PolarHBondContact O-N 2.82Å; P504-R506 VanDerWaalsContact O-N 3.16Å
505	L	68.1	Low	75.8	Confident	61 Å²	61	61.9 Å²	61.9	32%	0.319	30%	0.3	S	S	.	.			trans	-72.1	104.2	174.5	-78.9	164.5	0	0	0	109.8	R499 Q568 L570	R499-L505 VanDerWaalsContact NH1-CD2 3.27Å; L505-Q568 HydrophobicContact CD2-CB 3.73Å; L505-Q568 HydrophobicContact CD2-CG 3.75Å; L505-L570 HydrophobicContact CB-CD1 3.99Å; L505-L570 HydrophobicContact CB-CD2 4.42Å; L505-L570 HydrophobicContact CB-CG 3.99Å; L505-L570 HydrophobicContact CD1-CD2 4.34Å; L505-L570 WeakPolarHBondContact O-CD1 2.97Å
506	R	81.4	Confident	76.1	Confident	36 Å²	36	57.9 Å²	57.9	14%	0.136	28%	0.278	C	S	.	.			trans	-61.3	143.7	168.5	-66.9	-74.9	-164.1	-115	-12.7	110.5	P497 P504 D510 V569 L570 D838	P497-R506 HydrophobicContact CG-CG 4.4Å; P504-R506 PolarHBondContact O-N 2.82Å; P504-R506 VanDerWaalsContact O-N 3.16Å; R506-D510 HydrophobicContact CB-CB 4.35Å; R506-V569 WeakPolarHBondContact O-CA 3.48Å; R506-L570 PolarHBondContact O-N 3.18Å; R506-D838 IonicContact CZ-OD1 3.85Å; R506-D838 IonicContact NH1-OD1 2.67Å; R506-D838 PolarHBondContact NH1-OD1 2.91Å; R506-D838 IonicContact NH2-OD1 3.66Å; R506-D838 PolarHBondContact NH2-OD1 3.02Å
507	S	90.7	Very high	76.6	Confident	17 Å²	17	61.9 Å²	61.9	12%	0.119	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-95.6	172.3	172.3	68.5	0	0	0	0	112	Q509 D510 S511 L570	S507-Q509 PolarHBondContact O-N 3.33Å; S507-Q509 WeakPolarHBondContact OG-CB 3.35Å; S507-Q509 PolarHBondContact OG-N 3.46Å; S507-D510 WeakPolarHBondContact CB-OD2 3.25Å; S507-D510 PolarHBondContact N-OD2 3.13Å; S507-D510 PolarHBondContact O-N 3.46Å; S507-D510 VanDerWaalsContact OG-CG 3.26Å; S507-D510 PolarHBondContact OG-N 2.9Å; S507-D510 VanDerWaalsContact OG-N 3.08Å; S507-D510 PolarHBondContact OG-OD2 3.27Å; S507-S511 PolarHBondContact O-N 3.15Å; S507-S511 VanDerWaalsContact O-N 3.13Å; S507-S511 PolarHBondContact O-OG 3.03Å; S507-L570 CarbonylContact C-O 3.5Å; S507-L570 VanDerWaalsContact CA-O 3.28Å; S507-L570 WeakPolarHBondContact CA-O 3.4Å
508	I	93.1	Very high	77.8	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-33.1	168.4	-62.1	176.9	0	0	0	110.8	S511 L512 L548 L550 V569 L570 I571 P572 L575 F919	I508-S511 PolarHBondContact O-N 2.86Å; I508-L512 VanDerWaalsContact O-CB 3.29Å; I508-L512 WeakPolarHBondContact O-CB 3.23Å; I508-L512 PolarHBondContact O-N 2.88Å; I508-L548 HydrophobicContact CG2-CD1 3.62Å; I508-L550 HydrophobicContact CG1-CD1 4.45Å; I508-V569 HydrophobicContact CG1-CG1 3.82Å; I508-L570 PolarHBondContact N-O 3Å; I508-I571 HydrophobicContact CD1-CB 4.41Å; I508-I571 HydrophobicContact CD1-CG1 4.17Å; I508-I571 HydrophobicContact CD1-CG2 4.22Å; I508-P572 HydrophobicContact CB-CG 4.49Å; I508-L575 HydrophobicContact CB-CD2 4.41Å; I508-L575 HydrophobicContact CG2-CD1 4.15Å; I508-L575 HydrophobicContact CG2-CD2 4.19Å; I508-F919 HydrophobicContact CD1-CD1 3.6Å; I508-F919 HydrophobicContact CD1-CD2 4.06Å; I508-F919 HydrophobicContact CD1-CE1 3.49Å; I508-F919 VanDerWaalsContact CD1-CE1 3.49Å; I508-F919 HydrophobicContact CD1-CE2 3.99Å; I508-F919 HydrophobicContact CD1-CG 3.9Å; I508-F919 HydrophobicContact CD1-CZ 3.7Å
509	Q	93.4	Very high	79.1	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-54.6	174.7	-174.1	62.1	61.4	0	0	110	S507 S511 L512 D513 L575 T576 L849	S507-Q509 PolarHBondContact O-N 3.33Å; S507-Q509 WeakPolarHBondContact OG-CB 3.35Å; S507-Q509 PolarHBondContact OG-N 3.46Å; Q509-S511 PolarHBondContact O-N 3.48Å; Q509-S511 VanDerWaalsContact O-N 3.16Å; Q509-L512 WeakPolarHBondContact O-CA 3.47Å; Q509-L512 WeakPolarHBondContact O-CB 3.5Å; Q509-L512 PolarHBondContact O-N 3Å; Q509-D513 VanDerWaalsContact CG-OD2 3.31Å; Q509-D513 WeakPolarHBondContact CG-OD2 3.27Å; Q509-D513 VanDerWaalsContact NE2-CG 3.34Å; Q509-D513 PolarHBondContact NE2-OD1 2.8Å; Q509-D513 PolarHBondContact NE2-OD2 3.22Å; Q509-D513 PolarHBondContact O-N 2.87Å; Q509-L575 HydrophobicContact CB-CD2 3.74Å; Q509-L575 HydrophobicContact CG-CD2 4.46Å; Q509-L575 VanDerWaalsContact OE1-CA 3.3Å; Q509-T576 PolarHBondContact NE2-O 2.82Å; Q509-T576 PolarHBondContact OE1-O 3.24Å; Q509-L849 HydrophobicContact CG-CD2 4.37Å
510	D	90.3	Very high	80.8	Confident	29 Å²	29	62.1 Å²	62.1	16%	0.155	30%	0.304	C	S	.	.	H	α-helix	trans	-57.1	-36.4	177.4	-51.6	-66.1	0	0	0	113	R506 S507 L514 M839	R506-D510 HydrophobicContact CB-CB 4.35Å; S507-D510 WeakPolarHBondContact CB-OD2 3.25Å; S507-D510 PolarHBondContact N-OD2 3.13Å; S507-D510 PolarHBondContact O-N 3.46Å; S507-D510 VanDerWaalsContact OG-CG 3.26Å; S507-D510 PolarHBondContact OG-N 2.9Å; S507-D510 VanDerWaalsContact OG-N 3.08Å; S507-D510 PolarHBondContact OG-OD2 3.27Å; D510-L514 WeakPolarHBondContact O-CB 3.42Å; D510-L514 VanDerWaalsContact O-CG 3.31Å; D510-L514 WeakPolarHBondContact O-CG 3.11Å; D510-L514 PolarHBondContact O-N 3.46Å; D510-M839 HydrophobicContact CB-CE 4.34Å; D510-M839 WeakPolarHBondContact O-CE 3.48Å
511	S	90.4	Very high	82.7	Confident	2 Å²	2	60 Å²	60	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-73	-32.8	179.9	-48.4	0	0	0	0	111.8	I494 S507 I508 Q509 F515	I494-S511 WeakPolarHBondContact CG2-O 3.24Å; S507-S511 PolarHBondContact O-N 3.15Å; S507-S511 VanDerWaalsContact O-N 3.13Å; S507-S511 PolarHBondContact O-OG 3.03Å; I508-S511 PolarHBondContact O-N 2.86Å; Q509-S511 PolarHBondContact O-N 3.48Å; Q509-S511 VanDerWaalsContact O-N 3.16Å; S511-F515 PolarHBondContact O-N 2.94Å
512	L	92.8	Very high	84.8	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-72.9	-41.8	173.9	-176	65.6	0	0	0	111.7	L492 I494 I508 Q509 L514 F515 F516 L548 L575 L577	L492-L512 HydrophobicContact CD1-CD1 3.71Å; I494-L512 HydrophobicContact CD1-CD1 3.95Å; I508-L512 VanDerWaalsContact O-CB 3.29Å; I508-L512 WeakPolarHBondContact O-CB 3.23Å; I508-L512 PolarHBondContact O-N 2.88Å; Q509-L512 WeakPolarHBondContact O-CA 3.47Å; Q509-L512 WeakPolarHBondContact O-CB 3.5Å; Q509-L512 PolarHBondContact O-N 3Å; L512-L514 VanDerWaalsContact C-N 3.31Å; L512-L514 PolarHBondContact O-N 2.93Å; L512-F515 WeakPolarHBondContact O-CB 3.47Å; L512-F515 PolarHBondContact O-N 3.06Å; L512-F515 VanDerWaalsContact O-N 3.16Å; L512-F516 HydrophobicContact CD1-CD2 4.06Å; L512-F516 HydrophobicContact CD1-CE2 3.77Å; L512-F516 HydrophobicContact CG-CD2 4.36Å; L512-F516 HydrophobicContact CG-CE2 4.47Å; L512-F516 WeakPolarHBondContact O-CD2 3.37Å; L512-F516 PolarHBondContact O-N 3.11Å; L512-F516 VanDerWaalsContact O-N 3.16Å; L512-L548 HydrophobicContact CD1-CD2 3.94Å; L512-L548 HydrophobicContact CD2-CD1 4.38Å; L512-L575 HydrophobicContact CD2-CD1 4.23Å; L512-L577 HydrophobicContact CD2-CD2 3.75Å
513	D	91.9	Very high	86.7	Confident	9 Å²	9	52.2 Å²	52.2	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-33.2	176.3	-67.8	-51.4	0	0	0	111.9	Q509 R517 S579 H580 M839 Y841	Q509-D513 VanDerWaalsContact CG-OD2 3.31Å; Q509-D513 WeakPolarHBondContact CG-OD2 3.27Å; Q509-D513 VanDerWaalsContact NE2-CG 3.34Å; Q509-D513 PolarHBondContact NE2-OD1 2.8Å; Q509-D513 PolarHBondContact NE2-OD2 3.22Å; Q509-D513 PolarHBondContact O-N 2.87Å; D513-R517 PolarHBondContact O-N 2.78Å; D513-S579 PolarHBondContact OD1-OG 3.3Å; D513-H580 IonicContact OD1-CD2 2.71Å; D513-H580 IonicContact OD1-CE1 2.66Å; D513-H580 PolarHBondContact OD1-CE1 2.77Å; D513-H580 IonicContact OD1-NE2 2.67Å; D513-H580 PolarHBondContact OD1-NE2 3.47Å; D513-M839 HydrophobicContact CB-CE 3.39Å; D513-M839 HydrophobicContact CB-SD 4.17Å; D513-Y841 VanDerWaalsContact CB-OH 3.23Å; D513-Y841 WeakPolarHBondContact CB-OH 3.49Å; D513-Y841 PolarHBondContact OD2-OH 2.68Å
514	L	89	Confident	88.5	Confident	45 Å²	45	53.8 Å²	53.8	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-40.1	170.1	-77.4	174.8	0	0	0	111.9	P497 D510 L512 F516 R517 M839	P497-L514 HydrophobicContact CB-CD1 4.34Å; P497-L514 HydrophobicContact CG-CD1 4Å; D510-L514 WeakPolarHBondContact O-CB 3.42Å; D510-L514 VanDerWaalsContact O-CG 3.31Å; D510-L514 WeakPolarHBondContact O-CG 3.11Å; D510-L514 PolarHBondContact O-N 3.46Å; L512-L514 VanDerWaalsContact C-N 3.31Å; L512-L514 PolarHBondContact O-N 2.93Å; L514-F516 VanDerWaalsContact C-N 3.3Å; L514-F516 PolarHBondContact O-N 3.35Å; L514-R517 WeakPolarHBondContact O-CB 3.48Å; L514-R517 PolarHBondContact O-N 3.29Å; L514-M839 HydrophobicContact CB-CE 4.47Å; L514-M839 HydrophobicContact CD2-CE 4.02Å; L514-M839 HydrophobicContact CD2-SD 4.09Å; L514-M839 HydrophobicContact CG-CE 3.71Å; L514-M839 HydrophobicContact CG-SD 4.41Å
515	F	90.6	Very high	90	Very high	80 Å²	80	49.9 Å²	49.9	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-30	178.9	179.9	-84.4	0	0	0	113.1	L492 I494 S511 L512	L492-F515 HydrophobicContact CD1-CD1 4.42Å; L492-F515 HydrophobicContact CD1-CE1 4.25Å; L492-F515 HydrophobicContact CD2-CE1 3.79Å; L492-F515 HydrophobicContact CD2-CZ 4.01Å; L492-F515 HydrophobicContact CG-CE1 4.5Å; I494-F515 HydrophobicContact CD1-CB 3.77Å; I494-F515 HydrophobicContact CD1-CD1 4.06Å; I494-F515 HydrophobicContact CD1-CD2 3.7Å; I494-F515 HydrophobicContact CD1-CE2 4.3Å; I494-F515 HydrophobicContact CD1-CG 3.57Å; S511-F515 PolarHBondContact O-N 2.94Å; L512-F515 WeakPolarHBondContact O-CB 3.47Å; L512-F515 PolarHBondContact O-N 3.06Å; L512-F515 VanDerWaalsContact O-N 3.16Å
516	F	92.4	Very high	91.2	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.022	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	9.7	176	-76	-80.1	0	0	0	114	V470 L492 L512 L514 H537 F539 H580	V470-F516 HydrophobicContact CG1-CE1 4.12Å; V470-F516 HydrophobicContact CG2-CE1 4.18Å; V470-F516 HydrophobicContact CG2-CZ 4.45Å; L492-F516 HydrophobicContact CD1-CE2 3.53Å; L492-F516 HydrophobicContact CD1-CZ 3.76Å; L512-F516 HydrophobicContact CD1-CD2 4.06Å; L512-F516 HydrophobicContact CD1-CE2 3.77Å; L512-F516 HydrophobicContact CG-CD2 4.36Å; L512-F516 HydrophobicContact CG-CE2 4.47Å; L512-F516 WeakPolarHBondContact O-CD2 3.37Å; L512-F516 PolarHBondContact O-N 3.11Å; L512-F516 VanDerWaalsContact O-N 3.16Å; L514-F516 VanDerWaalsContact C-N 3.3Å; L514-F516 PolarHBondContact O-N 3.35Å; F516-H537 HydrophobicContact CD1-CB 3.62Å; F516-H537 HydrophobicContact CE1-CB 4.16Å; F516-F539 HydrophobicContact CD1-CE2 4.34Å; F516-F539 HydrophobicContact CD2-CE2 4.29Å; F516-F539 HydrophobicContact CE1-CD2 4.28Å; F516-F539 AromaticContact CE1-CE2 3.73Å; F516-F539 HydrophobicContact CE1-CE2 3.73Å; F516-F539 HydrophobicContact CE1-CZ 4.04Å; F516-F539 AromaticContact CE2-CE2 3.64Å; F516-F539 HydrophobicContact CE2-CE2 3.64Å; F516-F539 AromaticContact CE2-CZ 3.66Å; F516-F539 HydrophobicContact CE2-CZ 3.66Å; F516-F539 HydrophobicContact CZ-CD2 4.3Å; F516-F539 HydrophobicContact CZ-CE1 4.17Å; F516-F539 AromaticContact CZ-CE2 3.35Å; F516-F539 HydrophobicContact CZ-CE2 3.35Å; F516-F539 AromaticContact CZ-CZ 3.28Å; F516-F539 HydrophobicContact CZ-CZ 3.28Å; F516-H580 HydrophobicContact CB-CB 4.46Å; F516-H580 VanDerWaalsContact CB-CE1 3.44Å; F516-H580 WeakPolarHBondContact CB-CE1 3.36Å; F516-H580 VanDerWaalsContact CB-ND1 3.3Å; F516-H580 WeakPolarHBondContact CB-ND1 3.35Å; F516-H580 HydrophobicContact CD1-CB 4.44Å; F516-H580 HydrophobicContact CG-CB 4.29Å; F516-H580 AromaticContact CG-CG 3.82Å
517	R	90	Very high	91.8	Very high	96 Å²	96	60.3 Å²	60.3	36%	0.362	29%	0.288	S	S	.	.	S	Bend	trans	-63.3	151.5	176.8	-171.4	173.3	173.6	136.7	-1.2	110.5	D513 L514 E519	D513-R517 PolarHBondContact O-N 2.78Å; L514-R517 WeakPolarHBondContact O-CB 3.48Å; L514-R517 PolarHBondContact O-N 3.29Å; R517-E519 PolarHBondContact O-N 3.46Å
518	M	90.1	Very high	91.8	Very high	114 Å²	114	62 Å²	62	56%	0.562	30%	0.3	S	S	*	.			trans	-68.2	125.1	167.9	179.8	-170.8	-70.2	0	0	109.2	T534 V535 T536	M518-T534 HydrophobicContact SD-CG2 4.39Å; M518-V535 WeakPolarHBondContact CA-O 2.99Å; M518-V535 WeakPolarHBondContact CG-O 3.44Å; M518-T536 WeakPolarHBondContact CE-OG1 3.14Å
519	E	91.1	Very high	91.8	Very high	99 Å²	99	67 Å²	67	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	164.7	177.8	64.9	175.6	-168.8	0	0	111.8	R517 I521 T534 V535	R517-E519 PolarHBondContact O-N 3.46Å; E519-I521 HydrophobicContact CG-CG2 4.14Å; E519-T534 VanDerWaalsContact O-CA 3.32Å; E519-T534 WeakPolarHBondContact O-CA 3.43Å; E519-V535 HydrophobicContact CG-CG1 3.4Å; E519-V535 VanDerWaalsContact CG-CG1 3.4Å; E519-V535 PolarHBondContact N-O 3.3Å; E519-V535 PolarHBondContact O-N 3.46Å
520	E	93.1	Very high	91.6	Very high	134 Å²	134	67 Å²	67	63%	0.626	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.8	175.9	-48.9	-156.3	165.4	0	0	109.7	K477 T534	K477-E520 IonicContact NZ-OE1 2.98Å; K477-E520 PolarHBondContact NZ-OE1 3.05Å; K477-E520 IonicContact NZ-OE2 2.93Å; K477-E520 PolarHBondContact NZ-OE2 3.24Å; E520-T534 HydrophobicContact CG-CG2 4.45Å
521	I	92.7	Very high	91.7	Very high	46 Å²	46	71.8 Å²	71.8	24%	0.236	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.9	-175	60.4	169.6	0	0	0	111.6	I474 E519 Y523 A533 V535	I474-I521 HydrophobicContact CD1-CD1 4.42Å; I474-I521 HydrophobicContact CG1-CD1 4.36Å; I474-I521 HydrophobicContact CG2-CD1 4.22Å; E519-I521 HydrophobicContact CG-CG2 4.14Å; I521-Y523 PolarHBondContact O-N 3.04Å; I521-A533 HydrophobicContact CG1-CB 4.16Å; I521-A533 PolarHBondContact N-O 2.83Å; I521-A533 PolarHBondContact O-N 2.92Å; I521-A533 VanDerWaalsContact O-N 3.08Å; I521-V535 HydrophobicContact CD1-CB 4.01Å; I521-V535 HydrophobicContact CD1-CG1 4.12Å; I521-V535 HydrophobicContact CG1-CG1 4.38Å; I521-V535 HydrophobicContact CG2-CG1 3.84Å
522	E	92.8	Very high	91.8	Very high	130 Å²	130	73.7 Å²	73.7	61%	0.607	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.3	162	179.7	153.6	-158	0	0	109	K531	E522-K531 CarbonylContact C-O 3.58Å; E522-K531 VanDerWaalsContact CA-O 3.27Å; E522-K531 WeakPolarHBondContact CA-O 3.26Å; E522-K531 HydrophobicContact CG-CB 4.49Å; E522-K531 WeakPolarHBondContact OE1-CD 3.32Å; E522-K531 WeakPolarHBondContact OE1-CE 3.24Å; E522-K531 IonicContact OE1-NZ 2.68Å; E522-K531 PolarHBondContact OE1-NZ 3.34Å
523	Y	90.6	Very high	92	Very high	52 Å²	52	73.7 Å²	73.7	20%	0.204	37%	0.371	C	S	.	.			trans	-144.1	120.4	179.1	172.7	-104.3	0	0	0	109.1	I474 I521 C525 K531 A533	I474-Y523 HydrophobicContact CG2-CD1 3.7Å; I474-Y523 HydrophobicContact CG2-CD2 4.43Å; I474-Y523 HydrophobicContact CG2-CE1 4.05Å; I474-Y523 HydrophobicContact CG2-CG 3.91Å; I521-Y523 PolarHBondContact O-N 3.04Å; Y523-C525 HydrophobicContact CD1-CB 4.36Å; Y523-C525 HydrophobicContact CE1-CB 4.17Å; Y523-C525 PolarHBondContact O-N 3.16Å; Y523-K531 PolarHBondContact N-O 3.32Å; Y523-K531 CarbonylContact O-C 3.42Å; Y523-K531 WeakPolarHBondContact O-CA 3.41Å; Y523-A533 HydrophobicContact CD1-CB 4.05Å; Y523-A533 HydrophobicContact CG-CB 4.36Å
524	S	92.9	Very high	92.2	Very high	77 Å²	77	74.4 Å²	74.4	54%	0.538	38%	0.375	S	S	.	.			trans	-80.6	96.6	179.8	-68	0	0	0	0	110.7	E526	S524-E526 PolarHBondContact O-N 3.22Å
525	C	92.6	Very high	92.5	Very high	3 Å²	3	72.6 Å²	72.6	2%	0.02	37%	0.366	C	S	.	.			trans	-69.9	117.4	-175	173.7	0	0	0	0	113.3	C476 C479 Y523 K527 C528 S529 G530	C476-C525 HydrophobicContact CB-CB 3.82Å; C476-C525 WeakPolarHBondContact SG-CB 3.36Å; C476-C525 VanDerWaalsContact SG-SG 3.67Å; C479-C525 VanDerWaalsContact SG-SG 3.63Å; Y523-C525 HydrophobicContact CD1-CB 4.36Å; Y523-C525 HydrophobicContact CE1-CB 4.17Å; Y523-C525 PolarHBondContact O-N 3.16Å; C525-K527 VanDerWaalsContact C-N 3.25Å; C525-K527 PolarHBondContact O-N 3.46Å; C525-K527 VanDerWaalsContact O-N 3.08Å; C525-C528 PolarHBondContact O-N 3.32Å; C525-C528 VanDerWaalsContact O-N 3.12Å; C525-S529 WeakPolarHBondContact O-CA 3.47Å; C525-S529 PolarHBondContact O-N 2.94Å; C525-G530 PolarHBondContact N-O 3.01Å
526	E	94.1	Very high	92.7	Very high	171 Å²	171	70.3 Å²	70.3	80%	0.799	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-38.3	-178.3	-62.7	175.2	-167.5	0	0	114.4	S524	S524-E526 PolarHBondContact O-N 3.22Å
527	K	92.5	Very high	92.8	Very high	145 Å²	145	71.1 Å²	71.1	63%	0.63	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.8	-176.3	-71.5	-167.9	-177.7	169.5	0	115.9	E481 C525	E481-K527 HydrophobicContact CB-CD 4.43Å; E481-K527 VanDerWaalsContact CD-CD 3.5Å; E481-K527 HydrophobicContact CG-CD 3.96Å; E481-K527 HydrophobicContact CG-CG 4.4Å; E481-K527 WeakPolarHBondContact OE1-CE 3.45Å; E481-K527 IonicContact OE1-NZ 3.34Å; E481-K527 PolarHBondContact OE1-NZ 3.16Å; E481-K527 WeakPolarHBondContact OE2-CD 3.49Å; E481-K527 WeakPolarHBondContact OE2-CE 3.44Å; E481-K527 IonicContact OE2-NZ 2.65Å; E481-K527 PolarHBondContact OE2-NZ 2.65Å; C525-K527 VanDerWaalsContact C-N 3.25Å; C525-K527 PolarHBondContact O-N 3.46Å; C525-K527 VanDerWaalsContact O-N 3.08Å
528	C	92.5	Very high	93.1	Very high	53 Å²	53	69.1 Å²	69.1	36%	0.358	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146	0.8	-172.2	77.1	0	0	0	0	115.2	C479 C525 G530	C479-C528 HydrophobicContact CB-CB 4.12Å; C525-C528 PolarHBondContact O-N 3.32Å; C525-C528 VanDerWaalsContact O-N 3.12Å; C528-G530 PolarHBondContact O-N 3.14Å; C528-G530 PolarHBondContact SG-N 3.33Å; C528-G530 VanDerWaalsContact SG-N 3.45Å
529	S	91.3	Very high	93.4	Very high	105 Å²	105	63.7 Å²	63.7	73%	0.734	33%	0.33	S	S	*	.			trans	54	18.4	-175.1	-49.9	0	0	0	0	115	C525	C525-S529 WeakPolarHBondContact O-CA 3.47Å; C525-S529 PolarHBondContact O-N 2.94Å
530	G	89.1	Confident	93.6	Very high	12 Å²	12	59.7 Å²	59.7	12%	0.124	31%	0.313	C	S	.	.			trans	-73.5	132.9	174	0	0	0	0	0	110	C525 C528	C525-G530 PolarHBondContact N-O 3.01Å; C528-G530 PolarHBondContact O-N 3.14Å; C528-G530 PolarHBondContact SG-N 3.33Å; C528-G530 VanDerWaalsContact SG-N 3.45Å
531	K	93.3	Very high	93.8	Very high	129 Å²	129	54.9 Å²	54.9	56%	0.561	29%	0.29	S	S	*	.			trans	-84.7	-4.8	-173.8	-84.7	171.8	158.2	-98.7	0	115.4	E522 Y523	E522-K531 CarbonylContact C-O 3.58Å; E522-K531 VanDerWaalsContact CA-O 3.27Å; E522-K531 WeakPolarHBondContact CA-O 3.26Å; E522-K531 HydrophobicContact CG-CB 4.49Å; E522-K531 WeakPolarHBondContact OE1-CD 3.32Å; E522-K531 WeakPolarHBondContact OE1-CE 3.24Å; E522-K531 IonicContact OE1-NZ 2.68Å; E522-K531 PolarHBondContact OE1-NZ 3.34Å; Y523-K531 PolarHBondContact N-O 3.32Å; Y523-K531 CarbonylContact O-C 3.42Å; Y523-K531 WeakPolarHBondContact O-CA 3.41Å
532	S	93.4	Very high	94	Very high	43 Å²	43	52.9 Å²	52.9	30%	0.301	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.5	-173.2	-177.9	0	0	0	0	112.4	K477	K477-S532 PolarHBondContact N-O 3.16Å
533	A	95.8	Very high	94.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165.2	173	0	0	0	0	0	111.2	I474 T475 I521 Y523	I474-A533 HydrophobicContact CG2-CB 3.65Å; T475-A533 CarbonylContact O-C 3.55Å; T475-A533 VanDerWaalsContact O-CA 3.25Å; T475-A533 WeakPolarHBondContact O-CA 3.46Å; T475-A533 WeakPolarHBondContact O-CB 3.3Å; I521-A533 HydrophobicContact CG1-CB 4.16Å; I521-A533 PolarHBondContact N-O 2.83Å; I521-A533 PolarHBondContact O-N 2.92Å; I521-A533 VanDerWaalsContact O-N 3.08Å; Y523-A533 HydrophobicContact CD1-CB 4.05Å; Y523-A533 HydrophobicContact CG-CB 4.36Å
534	T	96.1	Very high	94.6	Very high	24 Å²	24	44.2 Å²	44.2	15%	0.147	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.7	160.1	52.7	0	0	0	0	108.4	I474 T475 K477 M518 E519 E520	I474-T534 CarbonylContact C-O 3.57Å; I474-T534 WeakPolarHBondContact CA-O 3.39Å; T475-T534 PolarHBondContact N-O 3.29Å; T475-T534 PolarHBondContact O-N 3.13Å; K477-T534 HydrophobicContact CG-CG2 4.42Å; M518-T534 HydrophobicContact SD-CG2 4.39Å; E519-T534 VanDerWaalsContact O-CA 3.32Å; E519-T534 WeakPolarHBondContact O-CA 3.43Å; E520-T534 HydrophobicContact CG-CG2 4.45Å
535	V	95.4	Very high	94.8	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.3	170.7	61.8	0	0	0	0	110.1	H472 T473 I474 M518 E519 I521	H472-V535 HydrophobicContact CB-CG2 4.18Å; T473-V535 WeakPolarHBondContact O-CA 3.38Å; I474-V535 HydrophobicContact CG1-CB 4.22Å; I474-V535 HydrophobicContact CG1-CG2 3.84Å; M518-V535 WeakPolarHBondContact CA-O 2.99Å; M518-V535 WeakPolarHBondContact CG-O 3.44Å; E519-V535 HydrophobicContact CG-CG1 3.4Å; E519-V535 VanDerWaalsContact CG-CG1 3.4Å; E519-V535 PolarHBondContact N-O 3.3Å; E519-V535 PolarHBondContact O-N 3.46Å; I521-V535 HydrophobicContact CD1-CB 4.01Å; I521-V535 HydrophobicContact CD1-CG1 4.12Å; I521-V535 HydrophobicContact CG1-CG1 4.38Å; I521-V535 HydrophobicContact CG2-CG1 3.84Å
536	T	94.4	Very high	95.1	Very high	32 Å²	32	40.4 Å²	40.4	20%	0.196	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132	175.8	-62.3	0	0	0	0	109.5	T473 M518	T473-T536 PolarHBondContact N-O 3.35Å; T473-T536 PolarHBondContact O-N 3.11Å; M518-T536 WeakPolarHBondContact CE-OG1 3.14Å
537	H	95.1	Very high	95.3	Very high	23 Å²	23	32.3 Å²	32.3	11%	0.106	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.5	-174.4	-55.5	-100.1	0	0	0	109.8	V470 H472 F516	V470-H537 HydrophobicContact CG1-CB 4.13Å; H472-H537 AromaticContact CE1-CE1 3.94Å; H472-H537 AromaticContact CE1-ND1 3.6Å; H472-H537 AromaticContact CG-ND1 3.87Å; H472-H537 AromaticContact ND1-CE1 3.4Å; H472-H537 PolarHBondContact ND1-CE1 2.74Å; H472-H537 AromaticContact ND1-ND1 3.26Å; H472-H537 PolarHBondContact ND1-ND1 3.39Å; F516-H537 HydrophobicContact CD1-CB 3.62Å; F516-H537 HydrophobicContact CE1-CB 4.16Å
538	K	95.6	Very high	95.6	Very high	53 Å²	53	25.4 Å²	25.4	23%	0.23	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.8	173.4	-63.3	-63.7	165.1	-156.3	0	111.6	V470 Q471 S579 H580 T582	V470-K538 CarbonylContact C-O 3.59Å; V470-K538 WeakPolarHBondContact CA-O 3.19Å; Q471-K538 PolarHBondContact N-O 2.84Å; Q471-K538 PolarHBondContact O-N 2.77Å; K538-S579 PolarHBondContact NZ-O 3.23Å; K538-H580 CarbonylContact C-O 3.52Å; K538-H580 VanDerWaalsContact CA-O 3.26Å; K538-H580 WeakPolarHBondContact CA-O 3.36Å; K538-H580 WeakPolarHBondContact CD-O 3.19Å; K538-T582 HydrophobicContact CB-CG2 3.98Å; K538-T582 HydrophobicContact CG-CG2 4.01Å
539	F	97.2	Very high	95.8	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.4	175.9	-70.8	-93.6	0	0	0	111.1	F468 V470 F516 L542 L577 H580 T585	F468-F539 AromaticContact CD2-CD1 3.9Å; F468-F539 HydrophobicContact CD2-CD1 3.9Å; F468-F539 AromaticContact CD2-CE1 3.53Å; F468-F539 HydrophobicContact CD2-CE1 3.53Å; F468-F539 AromaticContact CE2-CE1 3.79Å; F468-F539 HydrophobicContact CE2-CE1 3.79Å; F468-F539 HydrophobicContact CG-CE1 4.25Å; V470-F539 HydrophobicContact CG2-CD1 4.29Å; V470-F539 HydrophobicContact CG2-CE1 4.4Å; F516-F539 HydrophobicContact CD1-CE2 4.34Å; F516-F539 HydrophobicContact CD2-CE2 4.29Å; F516-F539 HydrophobicContact CE1-CD2 4.28Å; F516-F539 AromaticContact CE1-CE2 3.73Å; F516-F539 HydrophobicContact CE1-CE2 3.73Å; F516-F539 HydrophobicContact CE1-CZ 4.04Å; F516-F539 AromaticContact CE2-CE2 3.64Å; F516-F539 HydrophobicContact CE2-CE2 3.64Å; F516-F539 AromaticContact CE2-CZ 3.66Å; F516-F539 HydrophobicContact CE2-CZ 3.66Å; F516-F539 HydrophobicContact CZ-CD2 4.3Å; F516-F539 HydrophobicContact CZ-CE1 4.17Å; F516-F539 AromaticContact CZ-CE2 3.35Å; F516-F539 HydrophobicContact CZ-CE2 3.35Å; F516-F539 AromaticContact CZ-CZ 3.28Å; F516-F539 HydrophobicContact CZ-CZ 3.28Å; F539-L542 HydrophobicContact CB-CD2 3.85Å; F539-L542 HydrophobicContact CD1-CD2 3.85Å; F539-L542 HydrophobicContact CG-CD2 3.84Å; F539-L577 HydrophobicContact CD2-CD1 4.4Å; F539-L577 HydrophobicContact CE1-CD1 4.12Å; F539-L577 HydrophobicContact CE2-CB 4.42Å; F539-L577 HydrophobicContact CE2-CD1 4Å; F539-L577 HydrophobicContact CE2-CD2 3.89Å; F539-L577 HydrophobicContact CE2-CG 4.34Å; F539-L577 HydrophobicContact CZ-CD1 3.84Å; F539-L577 HydrophobicContact CZ-CD2 4.03Å; F539-H580 HydrophobicContact CD2-CB 3.74Å; F539-H580 HydrophobicContact CE2-CB 3.84Å; F539-H580 PolarHBondContact N-O 3.05Å; F539-T585 HydrophobicContact CB-CG2 4.01Å; F539-T585 WeakPolarHBondContact O-CB 3.42Å; F539-T585 VanDerWaalsContact O-CG2 3.26Å; F539-T585 WeakPolarHBondContact O-CG2 3.26Å; F539-T585 PolarHBondContact O-OG1 3.49Å
540	S	96.2	Very high	95.9	Very high	15 Å²	15	18.5 Å²	18.5	11%	0.105	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-14.7	173.1	54.5	0	0	0	0	113.4	E469 R586	E469-S540 WeakPolarHBondContact CB-OG 3.25Å; E469-S540 VanDerWaalsContact CD-OG 3.24Å; E469-S540 VanDerWaalsContact CG-OG 3.28Å; E469-S540 WeakPolarHBondContact CG-OG 3.21Å; E469-S540 PolarHBondContact O-N 2.9Å; E469-S540 PolarHBondContact O-OG 3.19Å; E469-S540 WeakPolarHBondContact OE1-CB 3.43Å; E469-S540 PolarHBondContact OE1-OG 2.6Å; S540-R586 WeakPolarHBondContact O-CB 3.43Å; S540-R586 WeakPolarHBondContact O-CG 3.37Å; S540-R586 PolarHBondContact O-N 3.37Å; S540-R586 VanDerWaalsContact O-N 3.11Å; S540-R586 PolarHBondContact O-NE 2.63Å
541	K	96.5	Very high	96	Very high	33 Å²	33	21.5 Å²	21.5	14%	0.143	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.6	166.2	178.1	-159.1	179.4	-154.2	0	107.6	A463 E467 F468 E469	A463-K541 PolarHBondContact O-NZ 3.24Å; E467-K541 VanDerWaalsContact O-CE 3.28Å; E467-K541 WeakPolarHBondContact O-CE 3.43Å; E467-K541 PolarHBondContact O-NZ 3.04Å; E467-K541 IonicContact OE1-NZ 2.67Å; E467-K541 PolarHBondContact OE1-NZ 3.08Å; F468-K541 VanDerWaalsContact CB-O 3.26Å; F468-K541 WeakPolarHBondContact CB-O 3.42Å; E469-K541 HydrophobicContact CB-CB 3.65Å; E469-K541 PolarHBondContact N-O 2.88Å; E469-K541 VanDerWaalsContact N-O 3.12Å; E469-K541 PolarHBondContact O-N 3.41Å
542	L	97.4	Very high	95.7	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	8%	0.081	C	C	.	.			trans	-94.3	144.3	175.2	-73.5	-178.3	0	0	0	112.2	F539 L577 T585 R586 P588 N860 Y862	F539-L542 HydrophobicContact CB-CD2 3.85Å; F539-L542 HydrophobicContact CD1-CD2 3.85Å; F539-L542 HydrophobicContact CG-CD2 3.84Å; L542-L577 HydrophobicContact CD2-CD1 3.63Å; L542-T585 HydrophobicContact CD1-CG2 4.14Å; L542-T585 HydrophobicContact CD2-CG2 4.32Å; L542-T585 HydrophobicContact CG-CG2 3.77Å; L542-R586 PolarHBondContact N-O 2.97Å; L542-P588 HydrophobicContact CB-CG 3.96Å; L542-P588 WeakPolarHBondContact O-CA 3.36Å; L542-N860 HydrophobicContact CD1-CB 4.09Å; L542-Y862 WeakPolarHBondContact CB-OH 3.2Å
543	P	97.4	Very high	95.3	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	8%	0.075	C	C	.	.			trans	-85.5	157.7	175.9	35.4	-32.2	0	0	0	110.9	M466 F468 V545 L546 P588 Y862	M466-P543 WeakPolarHBondContact O-CB 3.5Å; F468-P543 HydrophobicContact CB-CB 4.03Å; F468-P543 HydrophobicContact CB-CG 3.93Å; F468-P543 HydrophobicContact CD1-CB 4.12Å; F468-P543 HydrophobicContact CD1-CG 3.84Å; F468-P543 HydrophobicContact CG-CG 4.17Å; P543-V545 VanDerWaalsContact C-N 3.31Å; P543-L546 HydrophobicContact CG-CB 4.16Å; P543-L546 HydrophobicContact CG-CD1 4.25Å; P543-P588 VanDerWaalsContact O-CG 3.28Å; P543-P588 WeakPolarHBondContact O-CG 3.38Å; P543-Y862 WeakPolarHBondContact CD-OH 3.4Å; P543-Y862 HydrophobicContact CG-CE1 4.27Å; P543-Y862 VanDerWaalsContact O-CE1 3.27Å; P543-Y862 WeakPolarHBondContact O-CE1 3.1Å; P543-Y862 PolarHBondContact O-OH 3.13Å
544	R	97.2	Very high	94.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-69.3	-34.1	168.7	-67.2	176.8	176	164.3	3.3	111.4	D341 N465 P588 V589 S590 M922 H923 V926	D341-R544 IonicContact OD1-NH1 3.71Å; D341-R544 IonicContact OD2-CZ 3.45Å; D341-R544 IonicContact OD2-NH1 3.85Å; D341-R544 PolarHBondContact OD2-NH1 2.93Å; N465-R544 PolarHBondContact O-N 2.59Å; N465-R544 VanDerWaalsContact OD1-CD 3.24Å; N465-R544 WeakPolarHBondContact OD1-CD 3.49Å; N465-R544 PolarHBondContact OD1-NH1 2.78Å; R544-P588 HydrophobicContact CB-CB 4.46Å; R544-P588 HydrophobicContact CG-CB 3.88Å; R544-V589 PolarHBondContact NE-O 2.79Å; R544-V589 PolarHBondContact NH2-O 2.77Å; R544-S590 PolarHBondContact NH2-O 3.49Å; R544-M922 CarbonylContact O-C 2.96Å; R544-M922 WeakPolarHBondContact O-CA 3.28Å; R544-H923 PolarHBondContact O-N 3Å; R544-V926 HydrophobicContact CB-CG1 4.37Å; R544-V926 HydrophobicContact CG-CG1 4.44Å; R544-V926 HydrophobicContact CG-CG2 4.32Å
545	V	98.1	Very high	93.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	114.9	176.8	178	0	0	0	0	108.6	L335 N465 M466 P543 F920 Y921 M922	L335-V545 HydrophobicContact CD2-CG2 4.48Å; N465-V545 PolarHBondContact O-N 2.98Å; M466-V545 HydrophobicContact CE-CB 4.49Å; M466-V545 HydrophobicContact CE-CG1 4.31Å; M466-V545 HydrophobicContact SD-CB 3.72Å; M466-V545 HydrophobicContact SD-CG1 3.9Å; P543-V545 VanDerWaalsContact C-N 3.31Å; V545-F920 HydrophobicContact CG1-CB 4.23Å; V545-F920 HydrophobicContact CG1-CD1 4.13Å; V545-Y921 CarbonylContact C-O 3.45Å; V545-Y921 VanDerWaalsContact CA-O 3.24Å; V545-Y921 WeakPolarHBondContact CA-O 3.41Å; V545-M922 HydrophobicContact CG2-CB 4.15Å; V545-M922 HydrophobicContact CG2-CE 3.63Å; V545-M922 HydrophobicContact CG2-CG 4.21Å
546	L	98.4	Very high	92.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.9	171.1	-179.1	69.2	0	0	0	109	F468 P543 L548 L577 Y862 Y921	F468-L546 HydrophobicContact CD1-CD1 4.44Å; F468-L546 HydrophobicContact CE1-CD1 4.05Å; F468-L546 HydrophobicContact CZ-CD1 4.33Å; P543-L546 HydrophobicContact CG-CB 4.16Å; P543-L546 HydrophobicContact CG-CD1 4.25Å; L546-L548 HydrophobicContact CD1-CD2 4.28Å; L546-L548 HydrophobicContact CD2-CD1 4.35Å; L546-L548 HydrophobicContact CD2-CD2 3.99Å; L546-L548 HydrophobicContact CD2-CG 4.19Å; L546-L548 HydrophobicContact CG-CD2 3.97Å; L546-L548 HydrophobicContact CG-CG 4.2Å; L546-L577 HydrophobicContact CD2-CD1 4.33Å; L546-L577 HydrophobicContact CD2-CD2 4.17Å; L546-Y862 HydrophobicContact CB-CD1 3.88Å; L546-Y862 HydrophobicContact CB-CE1 3.98Å; L546-Y921 PolarHBondContact N-O 3.19Å; L546-Y921 PolarHBondContact O-N 3.21Å
547	I	98.6	Very high	91.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126	172.9	-56.3	179.7	0	0	0	108.5	L406 L410 M466 D491 L492 I918 F919 F920	L406-I547 HydrophobicContact CD2-CD1 4.29Å; L406-I547 HydrophobicContact CD2-CG2 3.96Å; L410-I547 HydrophobicContact CD1-CD1 4.04Å; M466-I547 HydrophobicContact CB-CD1 4.5Å; M466-I547 HydrophobicContact CE-CD1 3.89Å; M466-I547 HydrophobicContact CE-CG1 4.44Å; M466-I547 HydrophobicContact CG-CD1 4.13Å; M466-I547 HydrophobicContact SD-CD1 3.73Å; M466-I547 HydrophobicContact SD-CG1 3.98Å; D491-I547 CarbonylContact C-O 3.57Å; D491-I547 VanDerWaalsContact CA-O 3.32Å; D491-I547 WeakPolarHBondContact CA-O 3.31Å; D491-I547 HydrophobicContact CB-CB 3.69Å; D491-I547 HydrophobicContact CB-CG2 3.69Å; L492-I547 PolarHBondContact N-O 2.69Å; I547-I918 HydrophobicContact CG2-CG2 3.66Å; I547-F919 WeakPolarHBondContact CA-O 3.48Å; I547-F920 HydrophobicContact CD1-CD1 4.17Å; I547-F920 HydrophobicContact CD1-CE1 3.66Å; I547-F920 HydrophobicContact CD1-CZ 4.44Å; I547-F920 HydrophobicContact CG1-CD1 3.84Å; I547-F920 HydrophobicContact CG1-CE1 3.83Å
548	L	98.3	Very high	90.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.9	173.6	-58.4	-179.6	0	0	0	110	L492 I494 I508 L512 L546 L575 I918 F919 Y921	L492-L548 HydrophobicContact CB-CD2 3.83Å; L492-L548 HydrophobicContact CD1-CD2 3.94Å; L492-L548 HydrophobicContact CG-CD2 4.23Å; I494-L548 HydrophobicContact CG1-CD2 4.34Å; I508-L548 HydrophobicContact CG2-CD1 3.62Å; L512-L548 HydrophobicContact CD1-CD2 3.94Å; L512-L548 HydrophobicContact CD2-CD1 4.38Å; L546-L548 HydrophobicContact CD1-CD2 4.28Å; L546-L548 HydrophobicContact CD2-CD1 4.35Å; L546-L548 HydrophobicContact CD2-CD2 3.99Å; L546-L548 HydrophobicContact CD2-CG 4.19Å; L546-L548 HydrophobicContact CG-CD2 3.97Å; L546-L548 HydrophobicContact CG-CG 4.2Å; L548-L575 HydrophobicContact CD1-CD1 3.45Å; L548-L575 VanDerWaalsContact CD1-CD1 3.45Å; L548-I918 CarbonylContact O-C 3.6Å; L548-I918 WeakPolarHBondContact O-CA 3.28Å; L548-F919 HydrophobicContact CB-CB 4.48Å; L548-F919 PolarHBondContact N-O 3.45Å; L548-F919 PolarHBondContact O-N 3.01Å; L548-Y921 HydrophobicContact CD1-CD2 4.3Å; L548-Y921 HydrophobicContact CD1-CE2 4.21Å
549	H	97.2	Very high	89.3	Confident	13 Å²	13	35.7 Å²	35.7	6%	0.06	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.1	168.6	157.1	-137.7	0	0	0	108.6	H403 L492 S493 I494 Y917 I918	H403-H549 AromaticContact CD2-CG 3.67Å; H403-H549 AromaticContact CD2-ND1 3.64Å; H403-H549 AromaticContact CE1-ND1 3.51Å; H403-H549 AromaticContact CG-CE1 3.89Å; H403-H549 AromaticContact CG-CG 3.65Å; H403-H549 AromaticContact CG-ND1 3.41Å; H403-H549 AromaticContact ND1-CE1 3.66Å; H403-H549 AromaticContact ND1-ND1 3.33Å; H403-H549 PolarHBondContact ND1-ND1 3.35Å; H403-H549 AromaticContact NE2-ND1 3.67Å; L492-H549 PolarHBondContact O-N 3.08Å; S493-H549 CarbonylContact C-O 3.59Å; S493-H549 WeakPolarHBondContact CA-O 3.36Å; S493-H549 WeakPolarHBondContact CB-ND1 3.31Å; S493-H549 PolarHBondContact OG-ND1 3.05Å; I494-H549 PolarHBondContact N-O 2.94Å; H549-Y917 WeakPolarHBondContact CA-O 3.46Å; H549-Y917 AromaticContact CD2-CD2 3.98Å; H549-Y917 AromaticContact CD2-CE2 3.35Å; H549-Y917 WeakPolarHBondContact CD2-CE2 3.32Å; H549-Y917 AromaticContact CD2-CZ 3.5Å; H549-Y917 AromaticContact NE2-CE2 3.19Å; H549-Y917 WeakPolarHBondContact NE2-CE2 3.41Å; H549-Y917 AromaticContact NE2-CZ 3.25Å; H549-Y917 VanDerWaalsContact NE2-CZ 3.25Å; H549-Y917 PolarHBondContact NE2-OH 2.81Å; H549-I918 HydrophobicContact CB-CG1 4.44Å
550	L	93.8	Very high	88.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.9	172	-59.9	-178	0	0	0	109.2	I494 L496 I508 R552 Y917 F919	I494-L550 HydrophobicContact CB-CD2 4.16Å; L496-L550 HydrophobicContact CD2-CB 4.38Å; L496-L550 HydrophobicContact CD2-CD1 4.26Å; L496-L550 HydrophobicContact CD2-CD2 4.07Å; L496-L550 HydrophobicContact CD2-CG 4.47Å; L496-L550 HydrophobicContact CG-CB 4.49Å; I508-L550 HydrophobicContact CG1-CD1 4.45Å; L550-R552 HydrophobicContact CB-CG 4.18Å; L550-R552 PolarHBondContact O-N 2.9Å; L550-Y917 PolarHBondContact N-O 2.94Å; L550-Y917 WeakPolarHBondContact O-CD2 3.31Å; L550-Y917 VanDerWaalsContact O-CE2 3.25Å; L550-Y917 WeakPolarHBondContact O-CE2 3.28Å; L550-F919 HydrophobicContact CD1-CD2 4.32Å; L550-F919 HydrophobicContact CD1-CE2 3.43Å; L550-F919 VanDerWaalsContact CD1-CE2 3.43Å; L550-F919 HydrophobicContact CD1-CZ 3.94Å; L550-F919 HydrophobicContact CG-CD2 4.2Å; L550-F919 HydrophobicContact CG-CE2 3.7Å
551	K	90.9	Very high	86.9	Confident	76 Å²	76	44.1 Å²	44.1	33%	0.33	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	77.8	177.9	-69	168	169.8	173.9	0	111.2	S493 I494 D495	S493-K551 WeakPolarHBondContact O-CE 3.21Å; I494-K551 PolarHBondContact O-N 2.89Å; D495-K551 HydrophobicContact CB-CD 4.37Å; D495-K551 VanDerWaalsContact CG-CD 3.43Å; D495-K551 WeakPolarHBondContact OD1-CD 3.08Å; D495-K551 IonicContact OD1-NZ 3.7Å; D495-K551 PolarHBondContact OD1-NZ 3.36Å; D495-K551 IonicContact OD2-NZ 3.21Å; D495-K551 PolarHBondContact OD2-NZ 3.08Å
552	R	87.5	Confident	85.8	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.008	25%	0.25	C	C	.	.			trans	-87.3	1.2	-176.7	-75	-173.3	-178.8	-85.5	9.4	114.3	L496 L550 K564 L565 Q567 D913 R914 G916 Y917	L496-R552 HydrophobicContact CD1-CG 3.76Å; L550-R552 HydrophobicContact CB-CG 4.18Å; L550-R552 PolarHBondContact O-N 2.9Å; R552-K564 CarbonylContact O-C 3.55Å; R552-K564 WeakPolarHBondContact O-CA 3.47Å; R552-L565 PolarHBondContact NH1-O 3.06Å; R552-L565 PolarHBondContact O-N 2.89Å; R552-Q567 PolarHBondContact NH1-O 3.26Å; R552-D913 PolarHBondContact NH2-O 2.64Å; R552-R914 PolarHBondContact NH1-O 2.94Å; R552-G916 PolarHBondContact NE-O 2.91Å; R552-G916 PolarHBondContact NH2-O 3.44Å; R552-Y917 HydrophobicContact CB-CD2 4.24Å; R552-Y917 HydrophobicContact CB-CE2 4.43Å; R552-Y917 HydrophobicContact CG-CD2 4.5Å
553	Y	83.6	Confident	84.6	Confident	48 Å²	48	49 Å²	49	19%	0.188	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.9	175.6	-53	-68.3	0	0	0	110.3	S563 K564 H870 Y880 Y917	Y553-S563 WeakPolarHBondContact CA-O 3.01Å; Y553-K564 HydrophobicContact CD1-CB 4.09Å; Y553-K564 HydrophobicContact CD1-CG 3.99Å; Y553-K564 HydrophobicContact CE1-CB 4.14Å; Y553-K564 HydrophobicContact CE1-CD 3.86Å; Y553-K564 HydrophobicContact CE1-CG 3.72Å; Y553-H870 AromaticContact CZ-ND1 3.92Å; Y553-H870 PolarHBondContact OH-ND1 3.38Å; Y553-Y880 PolarHBondContact OH-OH 3.37Å; Y553-Y917 HydrophobicContact CD2-CE2 4.17Å; Y553-Y917 HydrophobicContact CE2-CD2 4.48Å; Y553-Y917 HydrophobicContact CE2-CE1 4.33Å; Y553-Y917 AromaticContact CE2-CE2 3.74Å; Y553-Y917 HydrophobicContact CE2-CE2 3.74Å; Y553-Y917 AromaticContact CE2-CZ 3.67Å
554	S	73.9	Confident	84	Confident	45 Å²	45	50.8 Å²	50.8	32%	0.315	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.5	169.6	51.8	0	0	0	0	109.6	S563	S554-S563 PolarHBondContact N-O 2.89Å; S554-S563 PolarHBondContact O-N 3.36Å; S554-S563 PolarHBondContact OG-OG 3.25Å
555	F	76.5	Confident	83.2	Confident	125 Å²	125	53.2 Å²	53.2	55%	0.548	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.4	169.9	177.4	-111.2	0	0	0	108.8	A557 N562	F555-A557 HydrophobicContact CD1-CB 4.43Å; F555-A557 HydrophobicContact CE1-CB 4.07Å; F555-N562 WeakPolarHBondContact CD2-OD1 3.44Å
556	N	72.8	Confident	82.2	Confident	55 Å²	55	55.3 Å²	55.3	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113.9	168.2	179.3	-81.5	0	0	0	108.8	Q558 L559 S560 L561	N556-Q558 PolarHBondContact ND2-OE1 3.3Å; N556-Q558 PolarHBondContact OD1-N 2.96Å; N556-Q558 PolarHBondContact OD1-OE1 2.7Å; N556-L559 VanDerWaalsContact OD1-CB 3.26Å; N556-L559 WeakPolarHBondContact OD1-CB 3.42Å; N556-L559 VanDerWaalsContact OD1-CG 3.28Å; N556-L559 WeakPolarHBondContact OD1-CG 3.26Å; N556-L559 PolarHBondContact OD1-N 3.03Å; N556-S560 VanDerWaalsContact O-CA 3.31Å; N556-S560 WeakPolarHBondContact O-CA 3.47Å; N556-S560 PolarHBondContact O-N 3.3Å; N556-L561 PolarHBondContact N-O 2.88Å; N556-L561 PolarHBondContact O-N 3.04Å
557	A	74.1	Confident	81.5	Confident	66 Å²	66	56.7 Å²	56.7	55%	0.545	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-39.3	-175.9	0	0	0	0	0	112.9	F555 L559 S560	F555-A557 HydrophobicContact CD1-CB 4.43Å; F555-A557 HydrophobicContact CE1-CB 4.07Å; A557-L559 VanDerWaalsContact C-N 3.34Å; A557-L559 PolarHBondContact O-N 3.38Å; A557-S560 PolarHBondContact O-N 3.47Å
558	Q	76.4	Confident	81	Confident	144 Å²	144	59 Å²	59	67%	0.673	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-39.1	-178.2	-57.2	98.4	-27	0	0	112.3	N556	N556-Q558 PolarHBondContact ND2-OE1 3.3Å; N556-Q558 PolarHBondContact OD1-N 2.96Å; N556-Q558 PolarHBondContact OD1-OE1 2.7Å
559	L	73.9	Confident	80.6	Confident	122 Å²	122	59.1 Å²	59.1	64%	0.639	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.4	179	-60	175.1	0	0	0	113	N556 A557 L561	N556-L559 VanDerWaalsContact OD1-CB 3.26Å; N556-L559 WeakPolarHBondContact OD1-CB 3.42Å; N556-L559 VanDerWaalsContact OD1-CG 3.28Å; N556-L559 WeakPolarHBondContact OD1-CG 3.26Å; N556-L559 PolarHBondContact OD1-N 3.03Å; A557-L559 VanDerWaalsContact C-N 3.34Å; A557-L559 PolarHBondContact O-N 3.38Å; L559-L561 HydrophobicContact CB-CB 4.2Å; L559-L561 HydrophobicContact CB-CD1 4.15Å; L559-L561 HydrophobicContact CB-CG 4.11Å; L559-L561 PolarHBondContact O-N 3.49Å
560	S	72.7	Confident	80.4	Confident	86 Å²	86	62.3 Å²	62.3	60%	0.601	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	34.8	-168.6	-62.9	0	0	0	0	113.7	N556 A557	N556-S560 VanDerWaalsContact O-CA 3.31Å; N556-S560 WeakPolarHBondContact O-CA 3.47Å; N556-S560 PolarHBondContact O-N 3.3Å; A557-S560 PolarHBondContact O-N 3.47Å
561	L	69.1	Low	80.5	Confident	108 Å²	108	62.7 Å²	62.7	57%	0.565	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.4	-177.5	-71.2	178.4	0	0	0	111.7	N556 L559	N556-L561 PolarHBondContact N-O 2.88Å; N556-L561 PolarHBondContact O-N 3.04Å; L559-L561 HydrophobicContact CB-CB 4.2Å; L559-L561 HydrophobicContact CB-CD1 4.15Å; L559-L561 HydrophobicContact CB-CG 4.11Å; L559-L561 PolarHBondContact O-N 3.49Å
562	N	74.1	Confident	80.7	Confident	86 Å²	86	59.7 Å²	59.7	46%	0.46	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.1	165.1	-74.2	-41.5	0	0	0	109.8	F555 S875	F555-N562 WeakPolarHBondContact CD2-OD1 3.44Å; N562-S875 WeakPolarHBondContact CB-OG 3.41Å; N562-S875 PolarHBondContact ND2-OG 3.24Å; N562-S875 VanDerWaalsContact ND2-OG 3.13Å
563	S	72.9	Confident	81.2	Confident	53 Å²	53	63.5 Å²	63.5	37%	0.371	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.2	170.4	75	0	0	0	0	110.8	Y553 S554	Y553-S563 WeakPolarHBondContact CA-O 3.01Å; S554-S563 PolarHBondContact N-O 2.89Å; S554-S563 PolarHBondContact O-N 3.36Å; S554-S563 PolarHBondContact OG-OG 3.25Å
564	K	83.3	Confident	81.8	Confident	38 Å²	38	62.2 Å²	62.2	17%	0.165	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.8	174.1	-172.8	-178.8	-179.4	178	0	110.1	R552 Y553 G566 H870 G872	R552-K564 CarbonylContact O-C 3.55Å; R552-K564 WeakPolarHBondContact O-CA 3.47Å; Y553-K564 HydrophobicContact CD1-CB 4.09Å; Y553-K564 HydrophobicContact CD1-CG 3.99Å; Y553-K564 HydrophobicContact CE1-CB 4.14Å; Y553-K564 HydrophobicContact CE1-CD 3.86Å; Y553-K564 HydrophobicContact CE1-CG 3.72Å; K564-G566 PolarHBondContact O-N 2.86Å; K564-H870 PolarHBondContact NZ-ND1 2.77Å; K564-H870 VanDerWaalsContact NZ-ND1 3.18Å; K564-H870 PolarHBondContact NZ-O 2.8Å; K564-G872 VanDerWaalsContact CD-O 3.25Å; K564-G872 WeakPolarHBondContact CD-O 2.78Å; K564-G872 PolarHBondContact NZ-O 2.94Å
565	L	80.6	Confident	82.9	Confident	50 Å²	50	60.1 Å²	60.1	26%	0.262	33%	0.328	S	S	.	.			trans	-73	89.2	177.5	-57.6	-179.1	0	0	0	110.3	R552 Q567	R552-L565 PolarHBondContact NH1-O 3.06Å; R552-L565 PolarHBondContact O-N 2.89Å; L565-Q567 PolarHBondContact O-N 3.37Å
566	G	77.5	Confident	83.9	Confident	44 Å²	44	54.3 Å²	54.3	45%	0.454	30%	0.303	S	S	.	.			trans	-68.2	25.3	171	0	0	0	0	0	114.7	K564 R914	K564-G566 PolarHBondContact O-N 2.86Å; G566-R914 PolarHBondContact O-NH1 3.37Å; G566-R914 VanDerWaalsContact O-NH1 3.08Å
567	Q	83.8	Confident	85	Confident	30 Å²	30	51.7 Å²	51.7	14%	0.14	29%	0.289	C	S	.	.			trans	-65.7	129.8	178.4	175.9	156	-32.7	0	0	110.3	P497 R499 R552 L565 V569	P497-Q567 PolarHBondContact O-NE2 2.89Å; P497-Q567 PolarHBondContact O-OE1 3.28Å; R499-Q567 HydrophobicContact CG-CG 4.43Å; R552-Q567 PolarHBondContact NH1-O 3.26Å; L565-Q567 PolarHBondContact O-N 3.37Å; Q567-V569 HydrophobicContact CG-CG2 4.35Å
568	Q	88.8	Confident	85.9	Confident	48 Å²	48	52.4 Å²	52.4	22%	0.224	28%	0.283	C	S	.	.			trans	-75.5	129.2	173	-166.6	175.2	5.8	0	0	109.6	L505 D913 R914	L505-Q568 HydrophobicContact CD2-CB 3.73Å; L505-Q568 HydrophobicContact CD2-CG 3.75Å; Q568-D913 HydrophobicContact CG-CB 3.9Å; Q568-D913 VanDerWaalsContact CG-OD2 3.25Å; Q568-D913 WeakPolarHBondContact CG-OD2 3.44Å; Q568-D913 PolarHBondContact NE2-OD2 3.38Å; Q568-R914 HydrophobicContact CB-CG 3.96Å; Q568-R914 HydrophobicContact CG-CG 4.26Å; Q568-R914 VanDerWaalsContact OE1-NH2 3.09Å
569	V	90.1	Very high	86.6	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	27%	0.271	C	S	.	.			trans	-129.8	132.1	178.8	-174.9	0	0	0	0	108	L496 R506 I508 Q567 I571 D913	L496-V569 HydrophobicContact CD1-CG2 4.16Å; L496-V569 HydrophobicContact CD2-CG2 3.79Å; R506-V569 WeakPolarHBondContact O-CA 3.48Å; I508-V569 HydrophobicContact CG1-CG1 3.82Å; Q567-V569 HydrophobicContact CG-CG2 4.35Å; V569-I571 PolarHBondContact O-N 2.78Å; V569-D913 PolarHBondContact N-O 3.01Å; V569-D913 WeakPolarHBondContact O-CB 3.42Å
570	L	92.6	Very high	87.6	Confident	81 Å²	81	43 Å²	43	42%	0.424	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-72.8	127.9	177	-61.4	174.6	0	0	0	110.3	L505 R506 S507 I508 P572	L505-L570 HydrophobicContact CB-CD1 3.99Å; L505-L570 HydrophobicContact CB-CD2 4.42Å; L505-L570 HydrophobicContact CB-CG 3.99Å; L505-L570 HydrophobicContact CD1-CD2 4.34Å; L505-L570 WeakPolarHBondContact O-CD1 2.97Å; R506-L570 PolarHBondContact O-N 3.18Å; S507-L570 CarbonylContact C-O 3.5Å; S507-L570 VanDerWaalsContact CA-O 3.28Å; S507-L570 WeakPolarHBondContact CA-O 3.4Å; I508-L570 PolarHBondContact N-O 3Å; L570-P572 VanDerWaalsContact O-CD 3.23Å; L570-P572 WeakPolarHBondContact O-CD 3.48Å
571	I	95.6	Very high	88.6	Confident	8 Å²	8	39.8 Å²	39.8	4%	0.041	22%	0.22	C	C	.	.			trans	-96.8	99.8	179.3	-54.9	168.7	0	0	0	107.9	I508 V569 L864 Q909 R912 F919	I508-I571 HydrophobicContact CD1-CB 4.41Å; I508-I571 HydrophobicContact CD1-CG1 4.17Å; I508-I571 HydrophobicContact CD1-CG2 4.22Å; V569-I571 PolarHBondContact O-N 2.78Å; I571-L864 HydrophobicContact CG2-CD1 4.5Å; I571-L864 HydrophobicContact CG2-CD2 3.72Å; I571-Q909 HydrophobicContact CB-CB 4.39Å; I571-Q909 HydrophobicContact CB-CG 4.43Å; I571-Q909 HydrophobicContact CG2-CG 4.35Å; I571-Q909 PolarHBondContact O-NE2 2.99Å; I571-R912 HydrophobicContact CD1-CB 3.85Å; I571-F919 HydrophobicContact CB-CE1 4.49Å; I571-F919 HydrophobicContact CD1-CE1 3.76Å; I571-F919 HydrophobicContact CD1-CZ 4.3Å; I571-F919 HydrophobicContact CG1-CE1 3.79Å; I571-F919 HydrophobicContact CG1-CZ 4.33Å; I571-F919 HydrophobicContact CG2-CD1 4.14Å; I571-F919 HydrophobicContact CG2-CE1 3.9Å
572	P	95.5	Very high	89.7	Confident	12 Å²	12	38.1 Å²	38.1	8%	0.078	21%	0.214	C	C	.	.			trans	-70.4	157.5	178.9	32.5	-36.5	0	0	0	111	I508 L570 Y574 L575 A853 Y921	I508-P572 HydrophobicContact CB-CG 4.49Å; L570-P572 VanDerWaalsContact O-CD 3.23Å; L570-P572 WeakPolarHBondContact O-CD 3.48Å; P572-Y574 WeakPolarHBondContact CB-O 3.37Å; P572-L575 HydrophobicContact CG-CD2 3.52Å; P572-L575 HydrophobicContact CG-CG 4.15Å; P572-A853 HydrophobicContact CB-CB 3.76Å; P572-Y921 PolarHBondContact O-OH 3.03Å
573	R	96.6	Very high	90.4	Very high	83 Å²	83	42.8 Å²	42.8	31%	0.313	24%	0.239	S	C	.	.	S	Bend	trans	-77.8	-31.9	177.5	-160.4	-169.4	-171.8	-155.6	6.2	111.5	A853 E854 R863 L864 E905	R573-A853 WeakPolarHBondContact CA-O 3.24Å; R573-A853 WeakPolarHBondContact CB-O 3.32Å; R573-A853 PolarHBondContact N-O 3.26Å; R573-E854 WeakPolarHBondContact CD-O 3.48Å; R573-E854 PolarHBondContact NH1-O 3.48Å; R573-R863 VanDerWaalsContact NE-NH1 3.14Å; R573-L864 PolarHBondContact O-N 3.09Å; R573-E905 HydrophobicContact CG-CG 4.48Å; R573-E905 VanDerWaalsContact CG-OE1 3.23Å; R573-E905 WeakPolarHBondContact CG-OE1 3.13Å; R573-E905 IonicContact CZ-OE1 2.69Å; R573-E905 IonicContact CZ-OE2 2.71Å; R573-E905 IonicContact NE-OE1 3.47Å; R573-E905 PolarHBondContact NE-OE1 3.14Å; R573-E905 IonicContact NE-OE2 2.8Å; R573-E905 PolarHBondContact NE-OE2 2.85Å; R573-E905 IonicContact NH2-OE1 3.73Å; R573-E905 IonicContact NH2-OE2 2.69Å; R573-E905 PolarHBondContact NH2-OE2 2.92Å
574	Y	98	Very high	91.2	Very high	21 Å²	21	43.1 Å²	43.1	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.4	169.7	-61.3	-104.5	0	0	0	110.8	P572 N852 A853 E854 Y862 R863	P572-Y574 WeakPolarHBondContact CB-O 3.37Å; Y574-N852 WeakPolarHBondContact CB-O 3.18Å; Y574-A853 PolarHBondContact N-O 3.41Å; Y574-A853 WeakPolarHBondContact O-CA 3.44Å; Y574-E854 WeakPolarHBondContact CE2-O 3.45Å; Y574-Y862 CarbonylContact C-O 3.57Å; Y574-Y862 WeakPolarHBondContact CA-O 3.07Å; Y574-R863 HydrophobicContact CD1-CB 3.75Å; Y574-R863 HydrophobicContact CD1-CG 4.24Å; Y574-R863 HydrophobicContact CE1-CB 3.54Å; Y574-R863 HydrophobicContact CE1-CG 3.79Å; Y574-R863 PolarHBondContact OH-NH1 3.3Å
575	L	96.8	Very high	91.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	162.9	161.7	-67	170.2	0	0	0	109.4	I508 Q509 L512 L548 P572 S861 Y862 Y921	I508-L575 HydrophobicContact CB-CD2 4.41Å; I508-L575 HydrophobicContact CG2-CD1 4.15Å; I508-L575 HydrophobicContact CG2-CD2 4.19Å; Q509-L575 HydrophobicContact CB-CD2 3.74Å; Q509-L575 HydrophobicContact CG-CD2 4.46Å; Q509-L575 VanDerWaalsContact OE1-CA 3.3Å; L512-L575 HydrophobicContact CD2-CD1 4.23Å; L548-L575 HydrophobicContact CD1-CD1 3.45Å; L548-L575 VanDerWaalsContact CD1-CD1 3.45Å; P572-L575 HydrophobicContact CG-CD2 3.52Å; P572-L575 HydrophobicContact CG-CG 4.15Å; L575-S861 CarbonylContact O-C 3.43Å; L575-S861 WeakPolarHBondContact O-CA 3.46Å; L575-Y862 PolarHBondContact N-O 3.02Å; L575-Y862 PolarHBondContact O-N 2.78Å; L575-Y921 HydrophobicContact CD1-CD1 3.89Å; L575-Y921 HydrophobicContact CD1-CD2 3.67Å; L575-Y921 HydrophobicContact CD1-CE1 3.75Å; L575-Y921 HydrophobicContact CD1-CE2 3.49Å; L575-Y921 VanDerWaalsContact CD1-CE2 3.49Å; L575-Y921 HydrophobicContact CD1-CG 3.86Å; L575-Y921 HydrophobicContact CG-CD1 4.02Å; L575-Y921 HydrophobicContact CG-CE1 3.65Å; L575-Y921 HydrophobicContact CG-CE2 4.27Å; L575-Y921 HydrophobicContact CG-CG 4.49Å
576	T	96.1	Very high	92.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.6	163.3	-176	0	0	0	0	110.8	Q509 L578 L849 L858 A859	Q509-T576 PolarHBondContact NE2-O 2.82Å; Q509-T576 PolarHBondContact OE1-O 3.24Å; T576-L578 VanDerWaalsContact OG1-CB 3.27Å; T576-L578 WeakPolarHBondContact OG1-CB 3.25Å; T576-L578 PolarHBondContact OG1-N 3.16Å; T576-L578 VanDerWaalsContact OG1-N 3.08Å; T576-L849 HydrophobicContact CG2-CD2 3.9Å; T576-L858 HydrophobicContact CG2-CD1 3.91Å; T576-A859 PolarHBondContact OG1-O 2.97Å
577	L	95.9	Very high	93.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.			trans	-104.3	8.7	169.2	-57.9	-177.5	0	0	0	112.3	L512 F539 L542 L546 S579 H580 C581 N860 Y862	L512-L577 HydrophobicContact CD2-CD2 3.75Å; F539-L577 HydrophobicContact CD2-CD1 4.4Å; F539-L577 HydrophobicContact CE1-CD1 4.12Å; F539-L577 HydrophobicContact CE2-CB 4.42Å; F539-L577 HydrophobicContact CE2-CD1 4Å; F539-L577 HydrophobicContact CE2-CD2 3.89Å; F539-L577 HydrophobicContact CE2-CG 4.34Å; F539-L577 HydrophobicContact CZ-CD1 3.84Å; F539-L577 HydrophobicContact CZ-CD2 4.03Å; L542-L577 HydrophobicContact CD2-CD1 3.63Å; L546-L577 HydrophobicContact CD2-CD1 4.33Å; L546-L577 HydrophobicContact CD2-CD2 4.17Å; L577-S579 VanDerWaalsContact C-N 3.34Å; L577-S579 PolarHBondContact O-N 3.29Å; L577-H580 CarbonylContact O-C 3.46Å; L577-H580 WeakPolarHBondContact O-CA 3.43Å; L577-H580 PolarHBondContact O-N 3.14Å; L577-C581 PolarHBondContact O-N 3.1Å; L577-C581 VanDerWaalsContact O-N 3.12Å; L577-C581 PolarHBondContact O-SG 3.16Å; L577-N860 HydrophobicContact CB-CB 4.4Å; L577-N860 PolarHBondContact N-O 3.14Å; L577-Y862 HydrophobicContact CD1-CD2 4.08Å; L577-Y862 HydrophobicContact CD1-CE2 3.53Å; L577-Y862 HydrophobicContact CG-CD2 4.15Å; L577-Y862 HydrophobicContact CG-CE2 4.01Å
578	L	93.1	Very high	93.6	Very high	81 Å²	81	47.6 Å²	47.6	42%	0.424	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-56	-44.9	-172.9	-178.8	56	0	0	0	112.9	T576 H580 C581 L858 A859	T576-L578 VanDerWaalsContact OG1-CB 3.27Å; T576-L578 WeakPolarHBondContact OG1-CB 3.25Å; T576-L578 PolarHBondContact OG1-N 3.16Å; T576-L578 VanDerWaalsContact OG1-N 3.08Å; L578-H580 PolarHBondContact O-N 3.01Å; L578-C581 PolarHBondContact O-N 3.49Å; L578-L858 HydrophobicContact CD2-CB 4.24Å; L578-L858 HydrophobicContact CD2-CD2 4.31Å; L578-A859 HydrophobicContact CD1-CB 4.32Å
579	S	91.8	Very high	93.5	Very high	59 Å²	59	48.7 Å²	48.7	41%	0.413	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.4	173.4	41.6	0	0	0	0	113.8	D513 K538 L577	D513-S579 PolarHBondContact OD1-OG 3.3Å; K538-S579 PolarHBondContact NZ-O 3.23Å; L577-S579 VanDerWaalsContact C-N 3.34Å; L577-S579 PolarHBondContact O-N 3.29Å
580	H	94.3	Very high	93	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.046	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-108.8	4	-174	-53.6	-43.4	0	0	0	113.8	D513 F516 K538 F539 L577 L578	D513-H580 IonicContact OD1-CD2 2.71Å; D513-H580 IonicContact OD1-CE1 2.66Å; D513-H580 PolarHBondContact OD1-CE1 2.77Å; D513-H580 IonicContact OD1-NE2 2.67Å; D513-H580 PolarHBondContact OD1-NE2 3.47Å; F516-H580 HydrophobicContact CB-CB 4.46Å; F516-H580 VanDerWaalsContact CB-CE1 3.44Å; F516-H580 WeakPolarHBondContact CB-CE1 3.36Å; F516-H580 VanDerWaalsContact CB-ND1 3.3Å; F516-H580 WeakPolarHBondContact CB-ND1 3.35Å; F516-H580 HydrophobicContact CD1-CB 4.44Å; F516-H580 HydrophobicContact CG-CB 4.29Å; F516-H580 AromaticContact CG-CG 3.82Å; K538-H580 CarbonylContact C-O 3.52Å; K538-H580 VanDerWaalsContact CA-O 3.26Å; K538-H580 WeakPolarHBondContact CA-O 3.36Å; K538-H580 WeakPolarHBondContact CD-O 3.19Å; F539-H580 HydrophobicContact CD2-CB 3.74Å; F539-H580 HydrophobicContact CE2-CB 3.84Å; F539-H580 PolarHBondContact N-O 3.05Å; L577-H580 CarbonylContact O-C 3.46Å; L577-H580 WeakPolarHBondContact O-CA 3.43Å; L577-H580 PolarHBondContact O-N 3.14Å; L578-H580 PolarHBondContact O-N 3.01Å
581	C	94.8	Very high	92.5	Very high	18 Å²	18	49.5 Å²	49.5	12%	0.122	29%	0.286	C	S	.	.			trans	-98.6	177.3	175.1	-65.6	0	0	0	0	111.8	L577 L578 T585 N860	L577-C581 PolarHBondContact O-N 3.1Å; L577-C581 VanDerWaalsContact O-N 3.12Å; L577-C581 PolarHBondContact O-SG 3.16Å; L578-C581 PolarHBondContact O-N 3.49Å; C581-T585 HydrophobicContact CB-CG2 4.21Å; C581-N860 PolarHBondContact SG-ND2 2.93Å
582	T	91.6	Very high	90.8	Very high	74 Å²	74	53.2 Å²	53.2	45%	0.454	31%	0.313	S	S	.	.			trans	-142.7	166.7	174.5	63.7	0	0	0	0	108.5	K538 G584 T585	K538-T582 HydrophobicContact CB-CG2 3.98Å; K538-T582 HydrophobicContact CG-CG2 4.01Å; T582-G584 PolarHBondContact O-N 3.12Å; T582-G584 VanDerWaalsContact O-N 3.07Å; T582-G584 PolarHBondContact OG1-N 3.28Å; T582-T585 PolarHBondContact N-OG1 3.01Å; T582-T585 VanDerWaalsContact O-CB 3.27Å; T582-T585 WeakPolarHBondContact O-CB 3.47Å; T582-T585 PolarHBondContact O-N 3.13Å; T582-T585 PolarHBondContact O-OG1 3.09Å; T582-T585 VanDerWaalsContact O-OG1 3.09Å; T582-T585 PolarHBondContact OG1-N 2.92Å; T582-T585 PolarHBondContact OG1-OG1 2.76Å; T582-T585 VanDerWaalsContact OG1-OG1 3.08Å
583	D	88.1	Confident	89.2	Confident	183 Å²	183	57 Å²	57	98%	0.979	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.6	175.7	-53.2	-39.1	0	0	0	113.4
584	G	90.4	Very high	86.6	Confident	60 Å²	60	55.5 Å²	55.5	62%	0.619	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.8	175	0	0	0	0	0	114.9	T582 R586	T582-G584 PolarHBondContact O-N 3.12Å; T582-G584 VanDerWaalsContact O-N 3.07Å; T582-G584 PolarHBondContact OG1-N 3.28Å; G584-R586 PolarHBondContact O-N 2.83Å
585	T	95.1	Very high	83.4	Confident	19 Å²	19	60.6 Å²	60.6	12%	0.117	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-69.1	119.1	-178.1	-60.7	0	0	0	0	110.6	F539 L542 C581 T582	F539-T585 HydrophobicContact CB-CG2 4.01Å; F539-T585 WeakPolarHBondContact O-CB 3.42Å; F539-T585 VanDerWaalsContact O-CG2 3.26Å; F539-T585 WeakPolarHBondContact O-CG2 3.26Å; F539-T585 PolarHBondContact O-OG1 3.49Å; L542-T585 HydrophobicContact CD1-CG2 4.14Å; L542-T585 HydrophobicContact CD2-CG2 4.32Å; L542-T585 HydrophobicContact CG-CG2 3.77Å; C581-T585 HydrophobicContact CB-CG2 4.21Å; T582-T585 PolarHBondContact N-OG1 3.01Å; T582-T585 VanDerWaalsContact O-CB 3.27Å; T582-T585 WeakPolarHBondContact O-CB 3.47Å; T582-T585 PolarHBondContact O-N 3.13Å; T582-T585 PolarHBondContact O-OG1 3.09Å; T582-T585 VanDerWaalsContact O-OG1 3.09Å; T582-T585 PolarHBondContact OG1-N 2.92Å; T582-T585 PolarHBondContact OG1-OG1 2.76Å; T582-T585 VanDerWaalsContact OG1-OG1 3.08Å
586	R	94.9	Very high	80.4	Confident	128 Å²	128	68 Å²	68	48%	0.483	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-72.5	126	-179.6	-61.2	174	-74	173.5	-6.5	110.1	E469 S540 L542 G584	E469-R586 IonicContact OE1-CZ 3.46Å; E469-R586 IonicContact OE1-NH2 2.73Å; E469-R586 PolarHBondContact OE1-NH2 3.22Å; E469-R586 IonicContact OE2-NH2 3.99Å; S540-R586 WeakPolarHBondContact O-CB 3.43Å; S540-R586 WeakPolarHBondContact O-CG 3.37Å; S540-R586 PolarHBondContact O-N 3.37Å; S540-R586 VanDerWaalsContact O-N 3.11Å; S540-R586 PolarHBondContact O-NE 2.63Å; L542-R586 PolarHBondContact N-O 2.97Å; G584-R586 PolarHBondContact O-N 2.83Å
587	P	93.3	Very high	77.4	Confident	92 Å²	92	73 Å²	73	60%	0.597	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-67.2	168.9	176.2	30.2	-36.2	0	0	0	111.4
588	P	92.1	Very high	74.2	Confident	17 Å²	17	77.5 Å²	77.5	11%	0.11	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-57.9	145.7	176.9	-23.9	35.7	0	0	0	112.5	L542 P543 R544 S590 H923 V926	L542-P588 HydrophobicContact CB-CG 3.96Å; L542-P588 WeakPolarHBondContact O-CA 3.36Å; P543-P588 VanDerWaalsContact O-CG 3.28Å; P543-P588 WeakPolarHBondContact O-CG 3.38Å; R544-P588 HydrophobicContact CB-CB 4.46Å; R544-P588 HydrophobicContact CG-CB 3.88Å; P588-S590 PolarHBondContact O-N 2.99Å; P588-H923 HydrophobicContact CG-CB 3.94Å; P588-V926 HydrophobicContact CB-CG2 4.41Å
589	V	86.5	Confident	71.2	Confident	71 Å²	71	80 Å²	80	43%	0.43	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-59.9	126	178.6	-177.9	0	0	0	0	109.6	V464 R544	V464-V589 HydrophobicContact CG1-CB 4.27Å; V464-V589 HydrophobicContact CG1-CG1 4.39Å; R544-V589 PolarHBondContact NE-O 2.79Å; R544-V589 PolarHBondContact NH2-O 2.77Å
590	S	80.9	Confident	68.3	Low	90 Å²	90	82.6 Å²	82.6	63%	0.629	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-55.6	155.6	-179.5	53.1	0	0	0	0	112.7	R544 P588 S592	R544-S590 PolarHBondContact NH2-O 3.49Å; P588-S590 PolarHBondContact O-N 2.99Å; S590-S592 PolarHBondContact O-N 3.32Å
591	L	81.9	Confident	65.4	Low	10 Å²	10	93.5 Å²	93.5	5%	0.052	54%	0.544	C	S	.	.			trans	-71.6	99.7	177.1	-64.8	169.9	0	0	0	109.8	W593 T594 V926 Q929 L930	L591-W593 PolarHBondContact O-N 2.79Å; L591-T594 PolarHBondContact O-N 2.79Å; L591-T594 PolarHBondContact O-OG1 3.18Å; L591-T594 VanDerWaalsContact O-OG1 3.12Å; L591-V926 HydrophobicContact CD1-CG1 4.39Å; L591-V926 HydrophobicContact CD2-CG1 4.19Å; L591-V926 HydrophobicContact CG-CG1 4.44Å; L591-Q929 HydrophobicContact CD1-CB 3.8Å; L591-L930 HydrophobicContact CD1-CD2 3.83Å; L591-L930 HydrophobicContact CD1-CG 3.88Å; L591-L930 HydrophobicContact CD2-CD2 4.3Å
592	S	59.6	Low	62.2	Low	87 Å²	87	98.9 Å²	98.9	61%	0.608	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	1.2	-176.7	48.8	0	0	0	0	115.9	S590	S590-S592 PolarHBondContact O-N 3.32Å
593	W	60.4	Low	59.2	Low	91 Å²	91	103.5 Å²	103.5	35%	0.345	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.1	-4.6	-176.5	-49.5	102.6	0	0	0	113.1	D341 K344 Q345 L591	D341-W593 PolarHBondContact OD1-NE1 2.75Å; K344-W593 HydrophobicContact CB-CD2 4.4Å; K344-W593 HydrophobicContact CB-CE3 4Å; K344-W593 HydrophobicContact CB-CH2 3.67Å; K344-W593 HydrophobicContact CB-CZ2 4.07Å; K344-W593 HydrophobicContact CB-CZ3 3.61Å; K344-W593 VanDerWaalsContact O-CH2 3.25Å; K344-W593 WeakPolarHBondContact O-CH2 3.23Å; K344-W593 WeakPolarHBondContact O-CZ3 3.44Å; Q345-W593 HydrophobicContact CG-CH2 4.04Å; Q345-W593 HydrophobicContact CG-CZ2 4.16Å; L591-W593 PolarHBondContact O-N 2.79Å
594	T	42.3	Very low	56.3	Low	52 Å²	52	103.9 Å²	103.9	32%	0.319	59%	0.59	S	S	.	*	S	Bend	trans	-94.7	123.1	176.2	53.7	0	0	0	0	111.1	L591 Q596 V933	L591-T594 PolarHBondContact O-N 2.79Å; L591-T594 PolarHBondContact O-OG1 3.18Å; L591-T594 VanDerWaalsContact O-OG1 3.12Å; T594-Q596 PolarHBondContact O-N 3.32Å; T594-Q596 VanDerWaalsContact O-N 3.14Å; T594-V933 HydrophobicContact CG2-CG2 4.35Å
595	P	31.3	Very low	53.3	Low	128 Å²	128	107 Å²	107	83%	0.831	60%	0.597	S	S	*	*			trans	-73.1	107.4	177.5	28.6	-33	0	0	0	110.4
596	Q	33.3	Very low	50	Low	154 Å²	154	111.5 Å²	111.5	72%	0.72	63%	0.63	S	S	*	*			trans	-79.3	137.2	169.8	-70	-67.4	-28.9	0	0	110.3	T594 A598	T594-Q596 PolarHBondContact O-N 3.32Å; T594-Q596 VanDerWaalsContact O-N 3.14Å; Q596-A598 PolarHBondContact O-N 3.19Å
597	P	33.6	Very low	46.8	Very low	109 Å²	109	113.7 Å²	113.7	71%	0.708	65%	0.646	S	S	*	*			trans	-64.3	120.4	169.9	27.5	-32.9	0	0	0	109.4	T599	P597-T599 PolarHBondContact O-N 3.05Å
598	A	28.4	Very low	43.6	Very low	94 Å²	94	114.1 Å²	114.1	78%	0.777	65%	0.65	S	S	*	*			trans	-73.8	89.8	-164.8	0	0	0	0	0	113.9	Q596 S600	Q596-A598 PolarHBondContact O-N 3.19Å; A598-S600 PolarHBondContact O-N 3.39Å
599	T	30.9	Very low	40.6	Very low	133 Å²	133	120.8 Å²	120.8	82%	0.816	68%	0.684	S	S	*	*			trans	-81.3	96.2	161.4	58.5	0	0	0	0	109.8	P597 R601	P597-T599 PolarHBondContact O-N 3.05Å; T599-R601 PolarHBondContact O-N 3.47Å
600	S	31	Very low	37.7	Very low	115 Å²	115	124.5 Å²	124.5	80%	0.804	70%	0.701	S	S	*	*			trans	-58.3	126.4	-174.5	-46.5	0	0	0	0	113.2	A598	A598-S600 PolarHBondContact O-N 3.39Å
601	R	32.3	Very low	35.1	Very low	239 Å²	239	126.2 Å²	126.2	90%	0.902	71%	0.713	S	S	*	*			trans	-122	114.6	159.4	-77	-170.7	173.4	-174.2	-0.4	109.4	T599 L603	T599-R601 PolarHBondContact O-N 3.47Å; R601-L603 PolarHBondContact O-N 2.76Å
602	T	28.3	Very low	32.5	Very low	131 Å²	131	130.9 Å²	130.9	80%	0.804	75%	0.746	S	S	*	*			trans	-67.9	116	-179.1	51.1	0	0	0	0	111	K604	T602-K604 PolarHBondContact O-N 3.12Å
603	L	27.8	Very low	30.9	Very low	171 Å²	171	133.7 Å²	133.7	90%	0.895	76%	0.76	S	S	*	*			trans	-68.9	119.9	165.8	-76.3	164.2	0	0	0	109.2	R601	R601-L603 PolarHBondContact O-N 2.76Å
604	K	28.7	Very low	29.3	Very low	191 Å²	191	135.3 Å²	135.3	83%	0.83	78%	0.78	S	S	*	*			trans	-94.2	110.4	165	-83.3	-170.6	173.6	-176.8	0	109.3	T602	T602-K604 PolarHBondContact O-N 3.12Å
605	T	25.8	Very low	29.2	Very low	125 Å²	125	138 Å²	138	77%	0.767	80%	0.799	S	S	*	*			trans	-58.7	143.2	164	-47.4	0	0	0	0	109.7
606	S	26.1	Very low	28.9	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	79%	0.794	S	S	*	*			trans	-148.7	129.8	169.2	-70.2	0	0	0	0	109
607	Q	27.9	Very low	28.5	Very low	174 Å²	174	140.8 Å²	140.8	81%	0.813	79%	0.793	S	S	*	*			trans	-111.8	152.2	-178.1	-68.4	-179.3	-19.5	0	0	110.9
608	S	26.6	Very low	28.2	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	79%	0.794	S	S	*	*			trans	86.4	144.1	140.8	82.7	0	0	0	0	121.6
609	I	28.1	Very low	28.2	Very low	158 Å²	158	146.9 Å²	146.9	81%	0.81	80%	0.796	S	S	*	*			trans	83.9	132.9	151.3	-64.4	155.4	0	0	0	119.2
610	N	26.5	Very low	27.9	Very low	148 Å²	148	144 Å²	144	79%	0.791	79%	0.793	S	S	*	*			trans	-81.8	152.3	176.7	-52.2	-32.4	0	0	0	111.8
611	S	26.7	Very low	27.7	Very low	127 Å²	127	141.8 Å²	141.8	89%	0.888	79%	0.788	S	S	*	*				178	158.8	122.3	-80.8	0	0	0	0	111.9
612	S	26	Very low	27.5	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	79%	0.789	S	S	*	*			trans	-105.7	139.9	-178.1	50.8	0	0	0	0	112.7
613	T	26.9	Very low	27.4	Very low	146 Å²	146	138.9 Å²	138.9	90%	0.896	78%	0.783	S	S	*	*			trans	-168.8	139	142.3	7.5	0	0	0	0	112.8
614	T	27.6	Very low	27.4	Very low	126 Å²	126	135.7 Å²	135.7	77%	0.773	78%	0.776	S	S	*	*			trans	-81.9	166.1	158.9	34.1	0	0	0	0	109.2
615	P	38.8	Very low	27.3	Very low	108 Å²	108	132.1 Å²	132.1	70%	0.701	78%	0.775	S	S	*	*			cis	-157.6	170.2	43.4	44.1	-21.9	0	0	0	122.1
616	Q	25.3	Very low	27.2	Very low	155 Å²	155	131 Å²	131	72%	0.724	77%	0.771	S	S	*	*			trans	82.5	141.7	139	-97.7	-170.5	49.5	0	0	123
617	R	26.4	Very low	27.2	Very low	186 Å²	186	130.7 Å²	130.7	70%	0.702	77%	0.769	S	S	*	*			trans	77.2	139.2	149.6	-77.4	179.6	-177.2	-147	-1.6	118
618	R	26.7	Very low	27.1	Very low	192 Å²	192	126.9 Å²	126.9	73%	0.725	76%	0.761	S	S	*	*			cis	-168.5	148.5	-8.4	-143	179.9	-170.7	-173.7	1	111
619	V	27.1	Very low	27.1	Very low	138 Å²	138	128.2 Å²	128.2	84%	0.836	77%	0.765	S	S	*	*			trans	65.8	139.5	168.5	-167.8	0	0	0	0	113.6
620	G	25.6	Very low	27.1	Very low	73 Å²	73	127.4 Å²	127.4	75%	0.753	76%	0.761	S	S	*	*			cis	129.3	146.2	5.5	0	0	0	0	0	109.7
621	G	26.8	Very low	27.2	Very low	68 Å²	68	127 Å²	127	70%	0.701	76%	0.759	S	S	*	*			cis	165.7	164.6	-3	0	0	0	0	0	109.9
622	K	27.3	Very low	27.1	Very low	212 Å²	212	127.8 Å²	127.8	92%	0.922	75%	0.753	S	S	*	*			trans	70.6	157.7	-173.5	-54.6	179.6	179.5	-178.7	0	114.1
623	S	26	Very low	27.3	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	75%	0.746	S	S	*	*			cis	-170.2	179.2	-23.7	53.4	0	0	0	0	109.4
624	S	27.7	Very low	27.3	Very low	105 Å²	105	126 Å²	126	73%	0.734	74%	0.736	S	S	*	*			trans	68.4	139.5	170.8	26.9	0	0	0	0	115.8
625	S	27.1	Very low	27.4	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	74%	0.737	S	S	*	*			cis	76.3	134.4	34.1	-172.9	0	0	0	0	113.2
626	C	24.5	Very low	27.2	Very low	102 Å²	102	131.6 Å²	131.6	69%	0.689	74%	0.737	S	S	*	*			cis	-172.4	157.3	-18.1	-175.9	0	0	0	0	107.1
627	S	25.3	Very low	27.2	Very low	107 Å²	107	131 Å²	131	75%	0.748	74%	0.739	S	S	*	*			trans	62.6	173.9	165.4	-75.3	0	0	0	0	116.8
628	S	26.4	Very low	27.2	Very low	94 Å²	94	128.8 Å²	128.8	66%	0.657	74%	0.737	S	S	*	*			cis	-171.6	177.4	-37.3	61.5	0	0	0	0	108.4
629	V	27.4	Very low	27.8	Very low	128 Å²	128	124.9 Å²	124.9	78%	0.776	74%	0.736	S	S	*	*			trans	69.7	149.9	160.5	170.9	0	0	0	0	116.4
630	L	27.7	Very low	27.7	Very low	140 Å²	140	123 Å²	123	73%	0.733	73%	0.725	S	S	*	*			cis	-177.3	153.8	-42.5	-107.1	170.9	0	0	0	108.2
631	L	29.1	Very low	27.7	Very low	141 Å²	141	130.8 Å²	130.8	74%	0.738	73%	0.732	S	S	*	*			trans	75.4	151.3	152	-69.2	163.9	0	0	0	123.8
632	D	24	Very low	27.8	Very low	143 Å²	143	137.4 Å²	137.4	77%	0.765	74%	0.741	S	S	*	*			trans	63.1	151	154	-64.4	0.2	0	0	0	122.1
633	S	29	Very low	27.6	Very low	87 Å²	87	133.1 Å²	133.1	61%	0.608	73%	0.732	S	S	*	*			cis	-168.7	168.6	-25.5	-166.5	0	0	0	0	111.5
634	D	26.8	Very low	27.5	Very low	129 Å²	129	135.3 Å²	135.3	69%	0.69	74%	0.737	S	S	*	*			trans	68.8	128.6	152.6	-65.6	-57.8	0	0	0	125.2
635	Y	29.9	Very low	27.3	Very low	201 Å²	201	136.6 Å²	136.6	79%	0.788	74%	0.739	S	S	*	*			trans	63	141.8	134.7	-81.5	-137.2	0	0	0	119.8
636	E	34.8	Very low	27.2	Very low	150 Å²	150	136.6 Å²	136.6	70%	0.701	74%	0.74	S	S	*	*			cis	-159.5	173.7	11.6	-115.9	-73.8	60.6	0	0	115
637	D	25.6	Very low	27.2	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	74%	0.744	S	S	*	*			trans	99.1	147.4	145.4	-132.5	-18.7	0	0	0	121.6
638	E	27.5	Very low	27.2	Very low	141 Å²	141	145 Å²	145	66%	0.659	74%	0.74	S	S	*	*			trans	-113.9	-152	-174.3	-130.9	-129.5	124	0	0	109	T640	E638-T640 WeakPolarHBondContact OE1-CG2 2.64Å; E638-T640 PolarHBondContact OE1-N 3.5Å
639	P	38.4	Very low	27.2	Very low	109 Å²	109	149.1 Å²	149.1	71%	0.708	74%	0.741	S	S	*	*			cis	-134.1	161.6	6.6	42.3	-23.2	0	0	0	119.7
640	T	24.8	Very low	27.1	Very low	99 Å²	99	152 Å²	152	61%	0.607	74%	0.739	S	S	*	*			trans	-16.3	144.6	163.7	66	0	0	0	0	120.9	E638	E638-T640 WeakPolarHBondContact OE1-CG2 2.64Å; E638-T640 PolarHBondContact OE1-N 3.5Å
641	R	25.6	Very low	26.9	Very low	237 Å²	237	152.5 Å²	152.5	89%	0.894	74%	0.741	S	S	*	*				-171.5	150.2	112	-105.7	170.8	174.3	166.6	0.4	114.9
642	K	29	Very low	26.6	Very low	206 Å²	206	150.3 Å²	150.3	90%	0.896	74%	0.737	S	S	*	*			trans	-122.2	135.5	170	-64.6	176.7	179	174.5	0	110
643	V	23.8	Very low	26.6	Very low	123 Å²	123	150 Å²	150	75%	0.745	74%	0.741	S	S	*	*			trans	-148.7	130.3	168.9	178.4	0	0	0	0	111.8
644	N	22.6	Very low	26.4	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	75%	0.749	S	S	*	*			trans	26	137.4	154	-53.4	-15.3	0	0	0	121.5
645	V	24.8	Very low	26.3	Very low	131 Å²	131	151.3 Å²	151.3	79%	0.794	75%	0.748	S	S	*	*			cis	77	97.7	40.8	-178.1	0	0	0	0	115.3
646	S	23.9	Very low	26.5	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	75%	0.747	S	S	*	*			trans	170.3	171.8	140	-81.1	0	0	0	0	112.1
647	R	25.7	Very low	26.1	Very low	208 Å²	208	148 Å²	148	79%	0.785	75%	0.75	S	S	*	*				179.1	132.6	-51.7	-175.6	179.9	-169.5	-164.5	7	109.4
648	R	25.8	Very low	26.1	Very low	176 Å²	176	150.5 Å²	150.5	66%	0.664	76%	0.757	S	S	*	*			trans	79.4	141.7	156.2	-100.1	-179.4	172.4	-177.2	-0.1	122.5
649	R	24.8	Very low	26.1	Very low	181 Å²	181	151.5 Å²	151.5	68%	0.683	77%	0.767	S	S	*	*			trans	76.2	150.1	143.4	-74.8	-179.1	172.9	-169.7	-2.9	118.4
650	R	24.8	Very low	25.6	Very low	189 Å²	189	153.7 Å²	153.7	71%	0.713	77%	0.773	S	S	*	*			cis	-171.3	143.7	-16.5	-125.6	-174.6	173.4	-160.8	-1.5	111
651	L	23.6	Very low	25.7	Very low	150 Å²	150	159.4 Å²	159.4	79%	0.785	78%	0.783	S	S	*	*			trans	61.3	172.3	155.3	-53	165.3	0	0	0	115.9
652	S	23.6	Very low	26.3	Very low	95 Å²	95	153.4 Å²	153.4	66%	0.664	78%	0.775	S	S	*	*			cis	-160.1	155.6	9.7	56.3	0	0	0	0	113.3
653	V	24.6	Very low	26.2	Very low	138 Å²	138	151.8 Å²	151.8	84%	0.836	77%	0.771	S	S	*	*			trans	70.9	146.2	145.2	164	0	0	0	0	116.9
654	C	23.1	Very low	26.3	Very low	115 Å²	115	152.7 Å²	152.7	78%	0.777	77%	0.766	S	S	*	*			cis	-144.8	173.9	13.8	-152.4	0	0	0	0	114.3
655	L	25.8	Very low	26.5	Very low	127 Å²	127	153.8 Å²	153.8	67%	0.665	77%	0.765	S	S	*	*			trans	-96	177.4	161.2	-59.1	170.7	0	0	0	110.7	E657	L655-E657 HydrophobicContact CB-CG 4.32Å; L655-E657 HydrophobicContact CD1-CG 4.16Å
656	P	33.7	Very low	27.3	Very low	118 Å²	118	153 Å²	153	77%	0.766	76%	0.762	S	S	*	*				-115.3	168.7	61.3	8.7	14.2	0	0	0	113.2
657	E	26	Very low	27.4	Very low	163 Å²	163	152.2 Å²	152.2	76%	0.762	76%	0.763	S	S	*	*			cis	88.1	159.4	24.1	-62.4	-158.1	132	0	0	117.3	L655	L655-E657 HydrophobicContact CB-CG 4.32Å; L655-E657 HydrophobicContact CD1-CG 4.16Å
658	E	26.7	Very low	27.3	Very low	194 Å²	194	147.6 Å²	147.6	91%	0.907	77%	0.769	S	S	*	*			trans	79.5	99.5	-159.7	-46.3	-144.5	148.3	0	0	113.2
659	D	27.4	Very low	27.4	Very low	162 Å²	162	144.4 Å²	144.4	87%	0.866	78%	0.78	S	S	*	*			cis	87.6	112	28.7	-160.4	31.6	0	0	0	115.8
660	D	26.8	Very low	27.5	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	79%	0.787	S	S	*	*			trans	-166.3	150.3	144.4	-147.4	-29.2	0	0	0	110.8
661	R	27.4	Very low	27.6	Very low	219 Å²	219	140.7 Å²	140.7	83%	0.826	80%	0.798	S	S	*	*			trans	-165.8	139.8	176.7	-164	-154.3	-64.9	-145.9	-0.6	112.8
662	P	37.9	Very low	27.7	Very low	112 Å²	112	140.8 Å²	140.8	73%	0.727	80%	0.799	S	S	*	*			trans	-138.6	156.6	133.9	28.9	-11.1	0	0	0	116.9
663	E	28.1	Very low	27.8	Very low	172 Å²	172	140.2 Å²	140.2	80%	0.804	80%	0.796	S	S	*	*			trans	4.6	150.3	146.2	-60.8	179.5	142.5	0	0	121
664	E	26	Very low	27.9	Very low	141 Å²	141	140.4 Å²	140.4	66%	0.659	80%	0.797	S	S	*	*			cis	-156	172.6	-0	-123.8	-152.6	138.5	0	0	114.2
665	K	25.9	Very low	28.2	Very low	167 Å²	167	143.2 Å²	143.2	73%	0.726	80%	0.799	S	S	*	*			trans	-27.8	168.7	172.7	-64.7	-169.7	-167	89	0	121
666	P	42.1	Very low	28.1	Very low	114 Å²	114	147 Å²	147	74%	0.74	81%	0.811	S	S	*	*			cis	-142.8	170.3	-27.1	37.4	-18.3	0	0	0	117.4
667	A	24.7	Very low	27.9	Very low	101 Å²	101	145.6 Å²	145.6	84%	0.835	82%	0.817	S	S	*	*			trans	63.2	106.7	144	0	0	0	0	0	122.9
668	A	24	Very low	27.8	Very low	110 Å²	110	140.8 Å²	140.8	91%	0.909	81%	0.812	S	S	*	*			trans	-158.8	164.6	133.9	0	0	0	0	0	109.3
669	A	28.6	Very low	28.3	Very low	109 Å²	109	137.4 Å²	137.4	90%	0.901	80%	0.798	S	S	*	*			trans	-102.9	136.3	-174.2	0	0	0	0	0	113.6
670	A	26.4	Very low	28.8	Very low	101 Å²	101	134 Å²	134	84%	0.835	78%	0.78	S	S	*	*			trans	-150.9	138	156	0	0	0	0	0	108.3
671	M	27.6	Very low	29.7	Very low	192 Å²	192	132.5 Å²	132.5	95%	0.946	77%	0.772	S	S	*	*			trans	-109.3	138.2	166.1	-73.2	-177.5	65.7	0	0	107.9
672	D	24.4	Very low	30.3	Very low	151 Å²	151	127.1 Å²	127.1	81%	0.807	76%	0.76	S	S	*	*			trans	-92.2	159.9	175.3	-157.2	-10.8	0	0	0	111.2
673	S	26.9	Very low	30.6	Very low	84 Å²	84	127.9 Å²	127.9	59%	0.587	75%	0.754	S	S	*	*			trans	-42.1	150.3	-177.8	52.7	0	0	0	0	118.1
674	T	26.2	Very low	31.6	Very low	141 Å²	141	122.2 Å²	122.2	87%	0.865	73%	0.728	S	S	*	*			trans	-145.6	101.2	140.7	-46.9	0	0	0	0	107.6
675	E	28.7	Very low	32.7	Very low	175 Å²	175	119.1 Å²	119.1	82%	0.818	72%	0.715	S	S	*	*			trans	-72	129.8	-177.2	-65.5	179	101.9	0	0	112
676	F	25.5	Very low	34	Very low	207 Å²	207	113.6 Å²	113.6	91%	0.908	70%	0.7	S	S	*	*			trans	-147.3	101.2	155.3	-114.5	-83.5	0	0	0	109.2	G678	F676-G678 VanDerWaalsContact C-N 3.25Å; F676-G678 PolarHBondContact O-N 3.32Å
677	G	28	Very low	34.2	Very low	87 Å²	87	109.9 Å²	109.9	90%	0.897	68%	0.68	S	S	*	*			trans	-72.4	65.9	-174.5	0	0	0	0	0	114.5
678	G	25.6	Very low	35.4	Very low	63 Å²	63	105.8 Å²	105.8	65%	0.649	64%	0.644	S	S	*	*			trans	-86.2	114.3	160.7	0	0	0	0	0	109.6	F676 N680	F676-G678 VanDerWaalsContact C-N 3.25Å; F676-G678 PolarHBondContact O-N 3.32Å; G678-N680 PolarHBondContact O-N 3.25Å
679	I	36.6	Very low	36.5	Very low	123 Å²	123	104.4 Å²	104.4	63%	0.631	62%	0.621	S	S	*	*			trans	-61.1	110.4	174.5	-43.8	171.8	0	0	0	107.6
680	N	37.6	Very low	37.4	Very low	90 Å²	90	103.9 Å²	103.9	48%	0.481	60%	0.6	S	S	.	*			trans	-78.7	147	-172.2	-173.3	28.5	0	0	0	110.7	G678 D682 E683	G678-N680 PolarHBondContact O-N 3.25Å; N680-D682 PolarHBondContact ND2-OD2 3.04Å; N680-D682 PolarHBondContact O-N 2.76Å; N680-D682 VanDerWaalsContact O-N 3.09Å; N680-E683 PolarHBondContact O-N 2.88Å
681	D	45	Very low	38.3	Very low	123 Å²	123	100.5 Å²	100.5	66%	0.658	57%	0.567	S	S	*	*	H	α-helix	trans	-57.4	-30.5	-177.5	-76.8	-43.3	0	0	0	111.8	E683 M684 L685	D681-E683 VanDerWaalsContact C-N 3.33Å; D681-E683 PolarHBondContact O-N 3.5Å; D681-M684 PolarHBondContact O-N 3.45Å; D681-L685 WeakPolarHBondContact O-CB 3.41Å; D681-L685 PolarHBondContact O-N 3.42Å
682	D	40.4	Very low	39.1	Very low	107 Å²	107	93.5 Å²	93.5	57%	0.572	54%	0.537	S	S	*	.	H	α-helix	trans	-61.5	-33	175.5	-65.1	-56.6	0	0	0	113.9	N680 L685 A686	N680-D682 PolarHBondContact ND2-OD2 3.04Å; N680-D682 PolarHBondContact O-N 2.76Å; N680-D682 VanDerWaalsContact O-N 3.09Å; D682-L685 PolarHBondContact O-N 3.47Å; D682-A686 VanDerWaalsContact O-CB 3.32Å; D682-A686 WeakPolarHBondContact O-CB 3.21Å; D682-A686 PolarHBondContact O-N 2.86Å
683	E	44	Very low	39.9	Very low	128 Å²	128	95.9 Å²	95.9	60%	0.598	54%	0.535	S	S	*	.	H	α-helix	trans	-75.9	-40.3	178.8	-171.5	-179.6	-172.1	0	0	110.9	N680 D681 L685 A686 A687	N680-E683 PolarHBondContact O-N 2.88Å; D681-E683 VanDerWaalsContact C-N 3.33Å; D681-E683 PolarHBondContact O-N 3.5Å; E683-L685 VanDerWaalsContact C-N 3.28Å; E683-L685 PolarHBondContact O-N 3.19Å; E683-A686 PolarHBondContact O-N 3.24Å; E683-A687 PolarHBondContact O-N 3.45Å
684	M	49	Very low	40.7	Very low	53 Å²	53	98.9 Å²	98.9	26%	0.261	54%	0.539	S	S	.	.	H	α-helix	trans	-62.5	-39.4	170.7	-167.6	-174.6	-58.8	0	0	110.7	V366 D681 V688	V366-M684 HydrophobicContact CG2-SD 3.96Å; D681-M684 PolarHBondContact O-N 3.45Å; M684-V688 WeakPolarHBondContact O-CB 3.45Å; M684-V688 VanDerWaalsContact O-CG2 3.24Å; M684-V688 WeakPolarHBondContact O-CG2 3.49Å; M684-V688 PolarHBondContact O-N 3.42Å; M684-V688 VanDerWaalsContact O-N 3.13Å
685	L	50.2	Low	41.5	Very low	76 Å²	76	97.3 Å²	97.3	40%	0.398	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-44.2	172.9	-129.7	72.6	0	0	0	111.4	V366 D681 D682 E683 V688 L689	V366-L685 HydrophobicContact CG1-CD1 4.33Å; D681-L685 WeakPolarHBondContact O-CB 3.41Å; D681-L685 PolarHBondContact O-N 3.42Å; D682-L685 PolarHBondContact O-N 3.47Å; E683-L685 VanDerWaalsContact C-N 3.28Å; E683-L685 PolarHBondContact O-N 3.19Å; L685-V688 CarbonylContact O-C 3.14Å; L685-V688 PolarHBondContact O-N 2.93Å; L685-L689 HydrophobicContact CB-CD1 4.44Å; L685-L689 HydrophobicContact CD2-CD1 4.38Å; L685-L689 HydrophobicContact CG-CD1 4.23Å; L685-L689 VanDerWaalsContact O-CB 3.26Å; L685-L689 WeakPolarHBondContact O-CB 3.3Å; L685-L689 WeakPolarHBondContact O-CD1 3.41Å; L685-L689 WeakPolarHBondContact O-CG 3.35Å; L685-L689 PolarHBondContact O-N 3.41Å
686	A	51.8	Low	42	Very low	50 Å²	50	93 Å²	93	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-59.1	-51.1	178.9	0	0	0	0	0	111.6	D682 E683 V688 L689 E690	D682-A686 VanDerWaalsContact O-CB 3.32Å; D682-A686 WeakPolarHBondContact O-CB 3.21Å; D682-A686 PolarHBondContact O-N 2.86Å; E683-A686 PolarHBondContact O-N 3.24Å; A686-V688 VanDerWaalsContact C-N 3.3Å; A686-V688 PolarHBondContact O-N 2.96Å; A686-L689 CarbonylContact O-C 3.45Å; A686-L689 PolarHBondContact O-N 3.32Å; A686-E690 PolarHBondContact O-N 3.23Å
687	A	47.2	Very low	42.4	Very low	37 Å²	37	85.9 Å²	85.9	31%	0.306	50%	0.501	S	S	.	.	H	α-helix	trans	-58.3	-41.3	176	0	0	0	0	0	112.2	E683 L689 M691	E683-A687 PolarHBondContact O-N 3.45Å; A687-L689 VanDerWaalsContact C-N 3.31Å; A687-L689 PolarHBondContact O-N 3.4Å; A687-M691 WeakPolarHBondContact O-CG 3.47Å; A687-M691 PolarHBondContact O-N 2.87Å
688	V	49.3	Very low	42.6	Very low	15 Å²	15	89.7 Å²	89.7	9%	0.091	50%	0.5	C	S	.	.	H	α-helix	trans	-72.1	-22.7	177.5	170.5	0	0	0	0	112.8	H363 M684 L685 A686 M691 S692	H363-V688 VanDerWaalsContact CD2-CG1 3.41Å; H363-V688 WeakPolarHBondContact CD2-CG1 3.43Å; H363-V688 WeakPolarHBondContact NE2-CG1 3.45Å; M684-V688 WeakPolarHBondContact O-CB 3.45Å; M684-V688 VanDerWaalsContact O-CG2 3.24Å; M684-V688 WeakPolarHBondContact O-CG2 3.49Å; M684-V688 PolarHBondContact O-N 3.42Å; M684-V688 VanDerWaalsContact O-N 3.13Å; L685-V688 CarbonylContact O-C 3.14Å; L685-V688 PolarHBondContact O-N 2.93Å; A686-V688 VanDerWaalsContact C-N 3.3Å; A686-V688 PolarHBondContact O-N 2.96Å; V688-M691 HydrophobicContact CG2-CE 4.34Å; V688-S692 PolarHBondContact O-N 2.89Å; V688-S692 PolarHBondContact O-OG 3.04Å
689	L	47.7	Very low	43	Very low	80 Å²	80	92.7 Å²	92.7	42%	0.419	51%	0.509	S	S	.	.	H	α-helix	trans	-87.7	-35.4	176.5	-73	166.8	0	0	0	112.6	L685 A686 A687 M691 S692 R693	L685-L689 HydrophobicContact CB-CD1 4.44Å; L685-L689 HydrophobicContact CD2-CD1 4.38Å; L685-L689 HydrophobicContact CG-CD1 4.23Å; L685-L689 VanDerWaalsContact O-CB 3.26Å; L685-L689 WeakPolarHBondContact O-CB 3.3Å; L685-L689 WeakPolarHBondContact O-CD1 3.41Å; L685-L689 WeakPolarHBondContact O-CG 3.35Å; L685-L689 PolarHBondContact O-N 3.41Å; A686-L689 CarbonylContact O-C 3.45Å; A686-L689 PolarHBondContact O-N 3.32Å; A687-L689 VanDerWaalsContact C-N 3.31Å; A687-L689 PolarHBondContact O-N 3.4Å; L689-M691 VanDerWaalsContact C-N 3.35Å; L689-S692 WeakPolarHBondContact O-CA 3.49Å; L689-S692 WeakPolarHBondContact O-CB 3.41Å; L689-S692 PolarHBondContact O-N 2.95Å; L689-R693 PolarHBondContact O-N 3.23Å; L689-R693 VanDerWaalsContact O-N 3.14Å
690	E	47.9	Very low	42.7	Very low	98 Å²	98	91.7 Å²	91.7	46%	0.458	52%	0.518	S	S	.	.	H	α-helix	trans	-54.9	-52.1	166.1	-72.8	-162.9	133	0	0	110.2	K350 A686 S692 R693 E694	K350-E690 IonicContact NZ-OE2 3.27Å; K350-E690 PolarHBondContact NZ-OE2 2.79Å; A686-E690 PolarHBondContact O-N 3.23Å; E690-S692 PolarHBondContact O-N 3.45Å; E690-R693 WeakPolarHBondContact O-CA 3.47Å; E690-R693 WeakPolarHBondContact O-CB 3.44Å; E690-R693 PolarHBondContact O-N 2.89Å; E690-E694 PolarHBondContact O-N 3.23Å; E690-E694 VanDerWaalsContact O-N 3.13Å
691	M	45.5	Very low	42.4	Very low	31 Å²	31	92.5 Å²	92.5	15%	0.153	54%	0.537	C	S	.	.	H	α-helix	trans	-56.1	-21.5	174.5	-71.5	169.1	20.4	0	0	114	R359 A687 V688 L689	R359-M691 PolarHBondContact NH2-SD 3.41Å; A687-M691 WeakPolarHBondContact O-CG 3.47Å; A687-M691 PolarHBondContact O-N 2.87Å; V688-M691 HydrophobicContact CG2-CE 4.34Å; L689-M691 VanDerWaalsContact C-N 3.35Å
692	S	44.4	Very low	41.7	Very low	44 Å²	44	91.2 Å²	91.2	31%	0.308	54%	0.544	S	S	.	.	H	α-helix	trans	-92.2	-13.2	176.9	-55	0	0	0	0	113	V688 L689 E690	V688-S692 PolarHBondContact O-N 2.89Å; V688-S692 PolarHBondContact O-OG 3.04Å; L689-S692 WeakPolarHBondContact O-CA 3.49Å; L689-S692 WeakPolarHBondContact O-CB 3.41Å; L689-S692 PolarHBondContact O-N 2.95Å; E690-S692 PolarHBondContact O-N 3.45Å
693	R	41.3	Very low	42	Very low	201 Å²	201	92 Å²	92	76%	0.758	56%	0.555	S	S	*	*	H	α-helix	trans	-89.6	-36.1	173.9	-71.6	173.8	171.7	171.4	-2.4	111.7	L689 E690 A696	L689-R693 PolarHBondContact O-N 3.23Å; L689-R693 VanDerWaalsContact O-N 3.14Å; E690-R693 WeakPolarHBondContact O-CA 3.47Å; E690-R693 WeakPolarHBondContact O-CB 3.44Å; E690-R693 PolarHBondContact O-N 2.89Å; R693-A696 PolarHBondContact O-N 3.26Å; R693-A696 VanDerWaalsContact O-N 3.14Å
694	E	43.5	Very low	41.3	Very low	147 Å²	147	94.1 Å²	94.1	69%	0.687	57%	0.569	S	S	*	*	H	α-helix	trans	-65.4	-38.6	178.7	-66.1	178.5	149.6	0	0	112.8	E690 A696 G697	E690-E694 PolarHBondContact O-N 3.23Å; E690-E694 VanDerWaalsContact O-N 3.13Å; E694-A696 PolarHBondContact O-N 3.47Å; E694-G697 PolarHBondContact O-N 3.19Å
695	E	43.1	Very low	40.5	Very low	109 Å²	109	99.9 Å²	99.9	51%	0.509	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-8.4	173.8	-79.3	-171.7	178.4	0	0	113.6	R360 K382	R360-E695 IonicContact NH1-OE1 2.87Å; K382-E695 IonicContact NZ-OE1 3.75Å; K382-E695 IonicContact NZ-OE2 3.68Å; K382-E695 PolarHBondContact NZ-OE2 2.71Å
696	A	39.3	Very low	39.5	Very low	85 Å²	85	104.5 Å²	104.5	70%	0.702	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-2	179.5	0	0	0	0	0	114.5	R693 E694	R693-A696 PolarHBondContact O-N 3.26Å; R693-A696 VanDerWaalsContact O-N 3.14Å; E694-A696 PolarHBondContact O-N 3.47Å
697	G	33.4	Very low	38.4	Very low	56 Å²	56	110.2 Å²	110.2	58%	0.577	64%	0.639	S	S	*	*			trans	-104.2	84	-172.5	0	0	0	0	0	115	E694	E694-G697 PolarHBondContact O-N 3.19Å
698	L	31.3	Very low	38.7	Very low	168 Å²	168	113.2 Å²	113.2	88%	0.88	66%	0.655	S	S	*	*			trans	-120	122.4	160.3	-71.9	177.5	0	0	0	109.5
699	P	35.1	Very low	37.7	Very low	126 Å²	126	117.9 Å²	117.9	82%	0.818	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-78.3	141.8	-174.4	30.8	-34.5	0	0	0	112.6
700	A	29.1	Very low	36.8	Very low	101 Å²	101	119.4 Å²	119.4	84%	0.835	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-78.4	159	164.8	0	0	0	0	0	111.1
701	A	32	Very low	36	Very low	107 Å²	107	120 Å²	120	88%	0.884	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-81.8	167.7	-168.2	0	0	0	0	0	115.2
702	A	29.3	Very low	36.4	Very low	96 Å²	96	124.5 Å²	124.5	79%	0.793	75%	0.748	S	S	*	*			trans	-133	158.6	167.2	0	0	0	0	0	109.8
703	P	48.1	Very low	35.8	Very low	124 Å²	124	129 Å²	129	81%	0.805	77%	0.769	S	S	*	*			trans	-108.4	173	-150.2	40.8	-36.9	0	0	0	115.7
704	L	29.4	Very low	35.6	Very low	172 Å²	172	124.2 Å²	124.2	90%	0.901	76%	0.762	S	S	*	*			trans	-159.6	165.8	145.2	-108.5	169.1	0	0	0	110.1
705	E	30.9	Very low	35	Very low	174 Å²	174	120.3 Å²	120.3	81%	0.813	76%	0.761	S	S	*	*			trans	-113.3	153.8	-162.7	-54.2	-179.2	125.2	0	0	113.6
706	D	30.3	Very low	34.4	Very low	174 Å²	174	124.3 Å²	124.3	93%	0.93	78%	0.777	S	S	*	*				-175.8	150.7	126.5	-104.8	-30.9	0	0	0	112.2
707	E	29.3	Very low	33.9	Very low	169 Å²	169	123.2 Å²	123.2	79%	0.79	77%	0.774	S	S	*	*			trans	-108.1	-170.8	-179.7	-118.7	-147.9	110.7	0	0	111
708	P	53	Low	33.8	Very low	100 Å²	100	127.2 Å²	127.2	65%	0.649	78%	0.782	S	S	*	*			cis	-119.8	-170.9	-6.6	22.3	4.6	0	0	0	111.5
709	T	28.2	Very low	33.9	Very low	114 Å²	114	124.1 Å²	124.1	70%	0.699	78%	0.775	S	S	*	*				-162.6	154.4	50.2	55.6	0	0	0	0	117.3
710	S	28.2	Very low	33.6	Very low	111 Å²	111	125.2 Å²	125.2	78%	0.776	77%	0.774	S	S	*	*			trans	78.2	100.4	151.5	62.5	0	0	0	0	121.1
711	S	31.6	Very low	33.7	Very low	112 Å²	112	125.4 Å²	125.4	78%	0.783	77%	0.765	S	S	*	*			trans	-72	-172.5	153.2	-28.3	0	0	0	0	111.6
712	P	54.5	Low	33.6	Very low	125 Å²	125	128.1 Å²	128.1	81%	0.812	76%	0.759	S	S	*	*			cis	-116.1	164.6	35.3	5.4	21.1	0	0	0	114.6
713	D	30.5	Very low	33.4	Very low	139 Å²	139	129.4 Å²	129.4	74%	0.743	75%	0.752	S	S	*	*			cis	103.2	146	33	-161.6	56.3	0	0	0	112.1
714	T	38.2	Very low	32.5	Very low	99 Å²	99	130.7 Å²	130.7	61%	0.607	75%	0.751	S	S	*	*			cis	-133.9	157	5	-20.4	0	0	0	0	109.9	F716	T714-F716 HydrophobicContact CG2-CE2 3.92Å
715	G	30.2	Very low	32.4	Very low	66 Å²	66	126.3 Å²	126.3	68%	0.68	74%	0.74	S	S	*	*				84.7	139.1	82.8	0	0	0	0	0	112.8
716	F	30.4	Very low	32.2	Very low	193 Å²	193	127.8 Å²	127.8	85%	0.846	74%	0.74	S	S	*	*			cis	-142.2	-166.3	3.9	-83.4	-90.3	0	0	0	107.7	T714	T714-F716 HydrophobicContact CG2-CE2 3.92Å
717	G	29.3	Very low	32.1	Very low	62 Å²	62	126.5 Å²	126.5	64%	0.639	73%	0.728	S	S	*	*			cis	120.9	145.3	13.9	0	0	0	0	0	110.3
718	D	31.5	Very low	31.9	Very low	139 Å²	139	125.3 Å²	125.3	74%	0.743	73%	0.732	S	S	*	*			cis	-156.8	163.7	0.5	-68.1	-47.8	0	0	0	111.6
719	S	32	Very low	30.7	Very low	103 Å²	103	127.5 Å²	127.5	72%	0.72	73%	0.734	S	S	*	*			trans	62.4	153.7	147.1	69.4	0	0	0	0	121.6
720	D	29.7	Very low	30.6	Very low	150 Å²	150	128.6 Å²	128.6	80%	0.802	74%	0.735	S	S	*	*			cis	-159.6	171.9	-20.6	-109.6	-33.1	0	0	0	114.8
721	V	30.8	Very low	30.7	Very low	105 Å²	105	129.2 Å²	129.2	64%	0.636	73%	0.728	S	S	*	*			trans	-45.6	135.1	-179.8	-164.4	0	0	0	0	119
722	H	29.4	Very low	30.5	Very low	164 Å²	164	131.6 Å²	131.6	76%	0.759	73%	0.727	S	S	*	*				174.5	133.7	112.7	-100.4	-65	0	0	0	119.2
723	D	27	Very low	29.3	Very low	123 Å²	123	131.6 Å²	131.6	66%	0.658	73%	0.725	S	S	*	*			trans	23.9	149.8	138.4	-81.6	-59.8	0	0	0	128.8
724	L	27.9	Very low	29.1	Very low	150 Å²	150	132.1 Å²	132.1	79%	0.785	73%	0.728	S	S	*	*			trans	52.5	84.5	138.7	-68.8	161.5	0	0	0	122.4
725	A	26.8	Very low	28.7	Very low	81 Å²	81	132.6 Å²	132.6	67%	0.669	74%	0.735	S	S	*	*				60.2	157.8	102.9	0	0	0	0	0	124
726	Y	28.6	Very low	28.7	Very low	205 Å²	205	139.1 Å²	139.1	80%	0.804	75%	0.745	S	S	*	*			trans	80.2	114.8	165.3	-83.1	-85.7	0	0	0	121.2
727	H	26.7	Very low	28.6	Very low	147 Å²	147	138.7 Å²	138.7	68%	0.681	75%	0.746	S	S	*	*			trans	44.7	124.2	141.5	-85.1	-113.8	0	0	0	121.1
728	T	26.5	Very low	29.3	Very low	144 Å²	144	141.3 Å²	141.3	88%	0.883	75%	0.751	S	S	*	*				-146.9	149.9	118.5	-73.1	0	0	0	0	108.6
729	E	26.8	Very low	29.1	Very low	146 Å²	146	139.1 Å²	139.1	68%	0.682	75%	0.752	S	S	*	*			trans	-135.6	150.7	-173.3	-156.4	-174.1	-157.7	0	0	107.8
730	L	26.9	Very low	29.1	Very low	137 Å²	137	141.3 Å²	141.3	72%	0.717	76%	0.756	S	S	*	*			trans	69.2	153.5	170	-47.3	175.1	0	0	0	115.3
731	L	28.7	Very low	29.2	Very low	123 Å²	123	140.9 Å²	140.9	64%	0.644	76%	0.759	S	S	*	*			cis	-161.6	161.9	-14.3	-112.2	168.8	0	0	0	109.2
732	E	27.3	Very low	29.2	Very low	162 Å²	162	143 Å²	143	76%	0.757	77%	0.765	S	S	*	*			trans	63.7	156.8	154.5	-74.9	154.4	-143.5	0	0	118.3
733	T	29.3	Very low	29.1	Very low	125 Å²	125	141.9 Å²	141.9	77%	0.767	77%	0.765	S	S	*	*			cis	-131.5	163.7	6.9	49.9	0	0	0	0	113.5
734	D	27.8	Very low	29.4	Very low	151 Å²	151	139.9 Å²	139.9	81%	0.807	76%	0.761	S	S	*	*			trans	-14.9	132.8	154.7	-92.4	-60.5	0	0	0	119
735	S	29.5	Very low	29.5	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	77%	0.765	S	S	*	*				169.2	146.3	87.6	47	0	0	0	0	115.7
736	K	30.3	Very low	29.7	Very low	204 Å²	204	142.9 Å²	142.9	89%	0.887	77%	0.765	S	S	*	*			trans	17.9	125.1	155.3	-63.8	179	179.4	175.9	0	121.9
737	Q	28.4	Very low	29.9	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	76%	0.761	S	S	*	*			trans	-40	160.6	144.1	-89	-175.4	-6.2	0	0	114.5
738	P	43.2	Very low	30.2	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	76%	0.76	S	S	*	*			cis	-150.9	176.2	42.5	44.4	-25	0	0	0	120.2
739	A	28.4	Very low	30.6	Very low	93 Å²	93	138.3 Å²	138.3	77%	0.769	76%	0.755	S	S	*	*			trans	73	142.6	146.3	0	0	0	0	0	121.4
740	D	32	Very low	31.1	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	75%	0.754	S	S	*	*			trans	-71.9	157.2	179.1	-41.6	-93.2	0	0	0	114.1
741	V	30.4	Very low	31.6	Very low	141 Å²	141	137.7 Å²	137.7	86%	0.855	75%	0.752	S	S	*	*				-144.9	150	119.1	-176.5	0	0	0	0	108.1
742	L	31.1	Very low	32.1	Very low	148 Å²	148	137.3 Å²	137.3	78%	0.775	75%	0.751	S	S	*	*			trans	-73.4	177.2	176.3	-52.2	75.3	0	0	0	111.9
743	D	28.6	Very low	32.6	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	75%	0.752	S	S	*	*				-172.3	153.6	94.1	-150.3	38.5	0	0	0	116.7
744	S	31.5	Very low	33.2	Very low	81 Å²	81	140.2 Å²	140.2	57%	0.566	75%	0.753	S	S	*	*			trans	30.6	134.2	152	-63.2	0	0	0	0	123.9
745	L	31	Very low	33.8	Very low	167 Å²	167	140.2 Å²	140.2	87%	0.874	75%	0.753	S	S	*	*				167.3	162.3	104.4	-84.5	170.6	0	0	0	111
746	D	30.1	Very low	34.1	Very low	126 Å²	126	144 Å²	144	67%	0.674	76%	0.758	S	S	*	*				-164.4	165.4	-60.2	-170.6	14.7	0	0	0	108.8
747	L	32.5	Very low	34.6	Very low	136 Å²	136	139.8 Å²	139.8	71%	0.712	75%	0.75	S	S	*	*			trans	69.8	147.8	165.7	-47.1	-179.7	0	0	0	117.7
748	T	34.9	Very low	35.7	Very low	109 Å²	109	136.5 Å²	136.5	67%	0.669	75%	0.745	S	S	*	*			cis	-168.4	148.7	-7.4	17.9	0	0	0	0	112.5
749	M	34.6	Very low	35.3	Very low	155 Å²	155	139.8 Å²	139.8	76%	0.764	75%	0.75	S	S	*	*			trans	68.8	151.4	153.3	-48.5	-113.6	69.6	0	0	118.2
750	D	36.4	Very low	35.5	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	75%	0.75	S	S	*	*			cis	-152.8	164.2	1.8	-141.7	-14	0	0	0	116.4
751	E	38.1	Very low	35.9	Very low	146 Å²	146	138.6 Å²	138.6	68%	0.682	75%	0.753	S	S	*	*			trans	46.4	119.6	155.7	-70.1	-130.8	125.3	0	0	125.6
752	N	38.9	Very low	36.4	Very low	114 Å²	114	140.6 Å²	140.6	61%	0.61	75%	0.753	S	S	*	*			trans	71.7	145.1	133.2	-69.8	-41.4	0	0	0	121
753	K	38.5	Very low	37.3	Very low	179 Å²	179	138.8 Å²	138.8	78%	0.778	75%	0.75	S	S	*	*			cis	-158.3	169.8	15.3	-141.3	168.2	-170.9	168.3	0	114.1
754	E	39.9	Very low	38.1	Very low	169 Å²	169	141.7 Å²	141.7	79%	0.79	76%	0.759	S	S	*	*			trans	79.7	81.7	164.9	-56.7	-161.2	144.2	0	0	120.1
755	N	41.7	Very low	38.9	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	75%	0.751	S	S	*	*				19.8	139.9	124.4	-50.9	-14.5	0	0	0	118.3
756	Q	36	Very low	39.7	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	75%	0.745	S	S	*	*				-168.2	140.1	58	-147.3	160.8	40.8	0	0	113.2
757	T	41	Very low	40.7	Very low	116 Å²	116	141.1 Å²	141.1	71%	0.712	75%	0.753	S	S	*	*			trans	-105	160.6	174.8	-7.1	0	0	0	0	111.2	E759	T757-E759 HydrophobicContact CG2-CG 4.35Å
758	P	50.8	Low	41.8	Very low	115 Å²	115	140.5 Å²	140.5	75%	0.747	75%	0.751	S	S	*	*				-133.1	141.3	82.2	21.6	-0.7	0	0	0	113.1
759	E	34.9	Very low	42.4	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	75%	0.754	S	S	*	*				67.7	121	66.8	-69	-160	133.7	0	0	115.2	T757	T757-E759 HydrophobicContact CG2-CG 4.35Å
760	G	33.1	Very low	43.6	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	74%	0.743	S	S	*	*			trans	168.3	96.5	171.4	0	0	0	0	0	117.3
761	V	39.9	Very low	44.7	Very low	143 Å²	143	142.3 Å²	142.3	87%	0.867	74%	0.743	S	S	*	*			trans	71.1	105.6	153.5	-167.8	0	0	0	0	120.2
762	Q	40.5	Very low	45.9	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	73%	0.732	S	S	*	*			trans	11.7	155.6	141.1	-73.6	179.9	-19.4	0	0	124.4
763	P	50.7	Low	47	Very low	109 Å²	109	142.1 Å²	142.1	71%	0.708	73%	0.733	S	S	*	*			trans	-99.8	130.3	-167	37.4	-31.4	0	0	0	114.8
764	Q	44.7	Very low	48.5	Very low	204 Å²	204	137.9 Å²	137.9	95%	0.953	72%	0.719	S	S	*	*			trans	-156.1	34.5	167.1	-148.2	165.3	4.9	0	0	114.8
765	G	48.9	Very low	50.1	Low	37 Å²	37	134.6 Å²	134.6	38%	0.381	71%	0.707	S	S	.	*			trans	-126.7	-18.8	-173.6	0	0	0	0	0	118.1	L767 W769	G765-L767 VanDerWaalsContact C-N 3.34Å; G765-L767 PolarHBondContact O-N 2.8Å; G765-W769 VanDerWaalsContact O-CD1 3.24Å
766	E	46.5	Very low	51.5	Low	163 Å²	163	130 Å²	130	76%	0.762	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-9.9	-158.8	-68.2	-179.5	115.9	0	0	116.8	V770	E766-V770 WeakPolarHBondContact O-CG2 3.17Å
767	L	52	Low	53.2	Low	161 Å²	161	125.7 Å²	125.7	84%	0.843	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-17.7	-175.8	-79.6	163.9	0	0	0	115.3	G765	G765-L767 VanDerWaalsContact C-N 3.34Å; G765-L767 PolarHBondContact O-N 2.8Å
768	D	54.8	Low	55.2	Low	124 Å²	124	125.6 Å²	125.6	66%	0.663	65%	0.653	S	S	*	*	H	α-helix	trans	-85.9	-48	-178.7	-165.6	40.6	0	0	0	111.2	V770 Q771 Q772	D768-V770 VanDerWaalsContact C-N 3.28Å; D768-V770 PolarHBondContact O-N 2.66Å; D768-Q771 PolarHBondContact O-N 3.41Å; D768-Q771 VanDerWaalsContact O-N 3.11Å; D768-Q772 PolarHBondContact O-N 3.17Å; D768-Q772 VanDerWaalsContact O-N 3.14Å
769	W	48.5	Very low	56.6	Low	191 Å²	191	126.6 Å²	126.6	72%	0.723	64%	0.642	S	S	*	*	H	α-helix	trans	-55.2	-39	179.8	-65.8	109.2	0	0	0	113.5	G765 Q771 Y773	G765-W769 VanDerWaalsContact O-CD1 3.24Å; W769-Q771 VanDerWaalsContact C-N 3.35Å; W769-Q771 PolarHBondContact O-N 2.99Å; W769-Y773 WeakPolarHBondContact O-CB 3.47Å; W769-Y773 PolarHBondContact O-N 2.85Å
770	V	59.7	Low	58.7	Low	89 Å²	89	124.4 Å²	124.4	54%	0.539	63%	0.632	S	S	.	*	H	α-helix	trans	-65.1	-39.4	-178.7	179.1	0	0	0	0	111.2	E766 D768 N774	E766-V770 WeakPolarHBondContact O-CG2 3.17Å; D768-V770 VanDerWaalsContact C-N 3.28Å; D768-V770 PolarHBondContact O-N 2.66Å; V770-N774 PolarHBondContact O-N 3.49Å; V770-N774 PolarHBondContact O-ND2 3.19Å
771	Q	60.6	Low	60.8	Low	146 Å²	146	126.2 Å²	126.2	68%	0.682	62%	0.621	S	S	*	*	H	α-helix	trans	-78.1	-37.5	-177.2	-160.2	163.1	26.3	0	0	112	D768 W769 L775	D768-Q771 PolarHBondContact O-N 3.41Å; D768-Q771 VanDerWaalsContact O-N 3.11Å; W769-Q771 VanDerWaalsContact C-N 3.35Å; W769-Q771 PolarHBondContact O-N 2.99Å; Q771-L775 PolarHBondContact O-N 3.19Å
772	Q	61.5	Low	62.7	Low	96 Å²	96	125.3 Å²	125.3	45%	0.449	61%	0.607	S	S	.	*	H	α-helix	trans	-62.2	-45.4	170.4	-175	63.5	40.7	0	0	111.5	D768 N774 L775 D776	D768-Q772 PolarHBondContact O-N 3.17Å; D768-Q772 VanDerWaalsContact O-N 3.14Å; Q772-N774 PolarHBondContact O-N 3.33Å; Q772-L775 PolarHBondContact O-N 2.87Å; Q772-D776 PolarHBondContact NE2-OD2 3.14Å; Q772-D776 PolarHBondContact O-N 3.41Å
773	Y	63.5	Low	64.9	Low	160 Å²	160	122.4 Å²	122.4	63%	0.627	59%	0.593	S	S	*	*	H	α-helix	trans	-60.8	-40.7	-179.2	-173	-95.5	0	0	0	112.7	W769 D776 Q777	W769-Y773 WeakPolarHBondContact O-CB 3.47Å; W769-Y773 PolarHBondContact O-N 2.85Å; Y773-D776 PolarHBondContact O-N 3.37Å; Y773-Q777 WeakPolarHBondContact O-CB 3.44Å; Y773-Q777 PolarHBondContact O-N 3.16Å
774	N	69.1	Low	66	Low	91 Å²	91	123.3 Å²	123.3	49%	0.487	59%	0.591	S	S	.	*	H	α-helix	trans	-64.8	-39.2	176.5	-82.2	-90.4	0	0	0	112.5	V770 Q772 Q777 E778	V770-N774 PolarHBondContact O-N 3.49Å; V770-N774 PolarHBondContact O-ND2 3.19Å; Q772-N774 PolarHBondContact O-N 3.33Å; N774-Q777 PolarHBondContact O-N 2.84Å; N774-E778 WeakPolarHBondContact O-CB 3.41Å; N774-E778 PolarHBondContact O-N 3.46Å
775	L	73.4	Confident	67.7	Low	100 Å²	100	119 Å²	119	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-70.9	-36.8	179	-73.9	169.9	0	0	0	112.7	Q771 Q772 R779	Q771-L775 PolarHBondContact O-N 3.19Å; Q772-L775 PolarHBondContact O-N 2.87Å; L775-R779 PolarHBondContact O-N 2.87Å
776	D	70.8	Confident	69.3	Low	55 Å²	55	123.5 Å²	123.5	29%	0.294	58%	0.582	S	S	.	*	H	α-helix	trans	-75	-32.6	174.5	-70.6	-34.1	0	0	0	111.9	Q772 Y773 R779 E780	Q772-D776 PolarHBondContact NE2-OD2 3.14Å; Q772-D776 PolarHBondContact O-N 3.41Å; Y773-D776 PolarHBondContact O-N 3.37Å; D776-R779 WeakPolarHBondContact O-CB 3.36Å; D776-R779 PolarHBondContact O-N 3.43Å; D776-R779 IonicContact OD1-CZ 2.63Å; D776-R779 IonicContact OD1-NE 3.69Å; D776-R779 PolarHBondContact OD1-NE 3.12Å; D776-R779 IonicContact OD1-NH2 2.76Å; D776-R779 PolarHBondContact OD1-NH2 3.09Å; D776-E780 WeakPolarHBondContact O-CG 3.25Å; D776-E780 PolarHBondContact O-N 3Å
777	Q	73.3	Confident	70.9	Confident	96 Å²	96	118.3 Å²	118.3	45%	0.449	57%	0.567	S	S	.	*	H	α-helix	trans	-64.3	-42.7	171	-176.5	176.2	6.3	0	0	112.5	Y773 N774 R779 E780 E781	Y773-Q777 WeakPolarHBondContact O-CB 3.44Å; Y773-Q777 PolarHBondContact O-N 3.16Å; N774-Q777 PolarHBondContact O-N 2.84Å; Q777-R779 VanDerWaalsContact C-N 3.3Å; Q777-R779 PolarHBondContact O-N 2.65Å; Q777-E780 PolarHBondContact O-N 3.18Å; Q777-E781 PolarHBondContact O-N 3.14Å
778	E	81.3	Confident	72.1	Confident	114 Å²	114	116.2 Å²	116.2	53%	0.533	56%	0.557	S	S	.	*	H	α-helix	trans	-65.2	-34.9	175.9	-172.3	175.2	-161.3	0	0	111.7	N774 Q782	N774-E778 WeakPolarHBondContact O-CB 3.41Å; N774-E778 PolarHBondContact O-N 3.46Å; E778-Q782 WeakPolarHBondContact O-CG 3.26Å; E778-Q782 PolarHBondContact O-N 2.83Å; E778-Q782 VanDerWaalsContact O-N 3.11Å
779	R	80	Confident	73.4	Confident	136 Å²	136	113.2 Å²	113.2	51%	0.513	55%	0.549	S	S	.	.	H	α-helix	trans	-66.3	-49	172.4	-168.4	-153.8	-46.5	-103.2	-4.9	111.8	L775 D776 Q777 E781 Q782 E783	L775-R779 PolarHBondContact O-N 2.87Å; D776-R779 WeakPolarHBondContact O-CB 3.36Å; D776-R779 PolarHBondContact O-N 3.43Å; D776-R779 IonicContact OD1-CZ 2.63Å; D776-R779 IonicContact OD1-NE 3.69Å; D776-R779 PolarHBondContact OD1-NE 3.12Å; D776-R779 IonicContact OD1-NH2 2.76Å; D776-R779 PolarHBondContact OD1-NH2 3.09Å; Q777-R779 VanDerWaalsContact C-N 3.3Å; Q777-R779 PolarHBondContact O-N 2.65Å; R779-E781 VanDerWaalsContact C-N 3.28Å; R779-E781 PolarHBondContact O-N 3.06Å; R779-Q782 PolarHBondContact O-N 2.69Å; R779-E783 PolarHBondContact O-N 3.22Å
780	E	79	Confident	74.9	Confident	140 Å²	140	109.9 Å²	109.9	65%	0.654	54%	0.542	S	S	*	.	H	α-helix	trans	-59	-39.3	176.2	-77.6	-171.1	168.7	0	0	111.2	D776 Q777 E783 L784	D776-E780 WeakPolarHBondContact O-CG 3.25Å; D776-E780 PolarHBondContact O-N 3Å; Q777-E780 PolarHBondContact O-N 3.18Å; E780-E783 PolarHBondContact O-N 3.06Å; E780-L784 VanDerWaalsContact O-CB 3.3Å; E780-L784 WeakPolarHBondContact O-CB 3.39Å; E780-L784 PolarHBondContact O-N 3.48Å
781	E	78.4	Confident	76.1	Confident	112 Å²	112	109.2 Å²	109.2	52%	0.523	54%	0.541	S	S	.	.	H	α-helix	trans	-65.5	-41.2	175.9	-170.5	173.8	168.4	0	0	112.4	Q777 R779 L784 Q785	Q777-E781 PolarHBondContact O-N 3.14Å; R779-E781 VanDerWaalsContact C-N 3.28Å; R779-E781 PolarHBondContact O-N 3.06Å; E781-L784 PolarHBondContact O-N 3.25Å; E781-Q785 HydrophobicContact CG-CG 4.46Å; E781-Q785 WeakPolarHBondContact O-CB 3.43Å; E781-Q785 VanDerWaalsContact O-CG 3.31Å; E781-Q785 WeakPolarHBondContact O-CG 3.33Å; E781-Q785 PolarHBondContact O-N 2.81Å; E781-Q785 PolarHBondContact OE1-NE2 2.74Å; E781-Q785 VanDerWaalsContact OE1-NE2 3.1Å
782	Q	80.6	Confident	77.2	Confident	123 Å²	123	107.2 Å²	107.2	58%	0.575	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-42.4	175.3	-72.6	-177.8	24.7	0	0	112.3	E778 R779 L784 Q785 Q786	E778-Q782 WeakPolarHBondContact O-CG 3.26Å; E778-Q782 PolarHBondContact O-N 2.83Å; E778-Q782 VanDerWaalsContact O-N 3.11Å; R779-Q782 PolarHBondContact O-N 2.69Å; Q782-L784 VanDerWaalsContact C-N 3.33Å; Q782-L784 PolarHBondContact O-N 2.93Å; Q782-Q785 PolarHBondContact O-N 3.23Å; Q782-Q786 WeakPolarHBondContact O-CB 3.39Å; Q782-Q786 PolarHBondContact O-N 2.91Å
783	E	84.8	Confident	78.2	Confident	123 Å²	123	109.1 Å²	109.1	58%	0.575	54%	0.543	S	S	*	.	H	α-helix	trans	-63.8	-38.5	174.4	-71.1	-176.7	-157.6	0	0	111.3	R779 E780 Q786 A787	R779-E783 PolarHBondContact O-N 3.22Å; E780-E783 PolarHBondContact O-N 3.06Å; E783-Q786 PolarHBondContact O-N 3.08Å; E783-A787 WeakPolarHBondContact O-CB 3.21Å; E783-A787 PolarHBondContact O-N 2.96Å
784	L	75.2	Confident	79.1	Confident	128 Å²	128	108.5 Å²	108.5	67%	0.67	55%	0.546	S	S	*	.	H	α-helix	trans	-65.3	-43.3	175.1	-148.7	81.7	0	0	0	112	E780 E781 Q782 A787 L788	E780-L784 VanDerWaalsContact O-CB 3.3Å; E780-L784 WeakPolarHBondContact O-CB 3.39Å; E780-L784 PolarHBondContact O-N 3.48Å; E781-L784 PolarHBondContact O-N 3.25Å; Q782-L784 VanDerWaalsContact C-N 3.33Å; Q782-L784 PolarHBondContact O-N 2.93Å; L784-A787 PolarHBondContact O-N 3.34Å; L784-L788 WeakPolarHBondContact O-CB 3.48Å; L784-L788 PolarHBondContact O-N 3.3Å
785	Q	79	Confident	79.5	Confident	114 Å²	114	109.2 Å²	109.2	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-64.5	-39.8	176.4	-73.1	-179.2	18.1	0	0	111.6	E781 Q782 L788 A789	E781-Q785 HydrophobicContact CG-CG 4.46Å; E781-Q785 WeakPolarHBondContact O-CB 3.43Å; E781-Q785 VanDerWaalsContact O-CG 3.31Å; E781-Q785 WeakPolarHBondContact O-CG 3.33Å; E781-Q785 PolarHBondContact O-N 2.81Å; E781-Q785 PolarHBondContact OE1-NE2 2.74Å; E781-Q785 VanDerWaalsContact OE1-NE2 3.1Å; Q782-Q785 PolarHBondContact O-N 3.23Å; Q785-L788 PolarHBondContact O-N 3.27Å; Q785-A789 PolarHBondContact O-N 3.42Å
786	Q	82.4	Confident	79.8	Confident	131 Å²	131	110 Å²	110	61%	0.612	55%	0.547	S	S	*	.	H	α-helix	trans	-67.6	-41.2	176.2	-172.5	170.2	1.2	0	0	112.2	Q782 E783 A789 Q790	Q782-Q786 WeakPolarHBondContact O-CB 3.39Å; Q782-Q786 PolarHBondContact O-N 2.91Å; E783-Q786 PolarHBondContact O-N 3.08Å; Q786-A789 PolarHBondContact O-N 2.88Å; Q786-Q790 PolarHBondContact O-N 2.81Å; Q786-Q790 VanDerWaalsContact O-N 3.1Å
787	A	81.3	Confident	80.3	Confident	54 Å²	54	109.2 Å²	109.2	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-64.6	-39.1	173.8	0	0	0	0	0	112.1	E783 L784 Q790 S791	E783-A787 WeakPolarHBondContact O-CB 3.21Å; E783-A787 PolarHBondContact O-N 2.96Å; L784-A787 PolarHBondContact O-N 3.34Å; A787-Q790 PolarHBondContact O-N 3.5Å; A787-S791 WeakPolarHBondContact O-CB 3.39Å; A787-S791 PolarHBondContact O-N 3.14Å
788	L	76.3	Confident	80.3	Confident	118 Å²	118	109.9 Å²	109.9	62%	0.618	55%	0.551	S	S	*	*	H	α-helix	trans	-63.6	-41.5	175.9	-158.1	90	0	0	0	111.5	L784 Q785 S791 L792	L784-L788 WeakPolarHBondContact O-CB 3.48Å; L784-L788 PolarHBondContact O-N 3.3Å; Q785-L788 PolarHBondContact O-N 3.27Å; L788-S791 PolarHBondContact O-N 2.83Å; L788-L792 PolarHBondContact O-N 3.25Å
789	A	83.7	Confident	80.1	Confident	61 Å²	61	109.4 Å²	109.4	50%	0.504	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-43.6	177.2	0	0	0	0	0	112.4	Q785 Q786 L792 Q793	Q785-A789 PolarHBondContact O-N 3.42Å; Q786-A789 PolarHBondContact O-N 2.88Å; A789-L792 PolarHBondContact O-N 3.09Å; A789-Q793 PolarHBondContact O-N 2.85Å; A789-Q793 VanDerWaalsContact O-N 3.12Å
790	Q	79.8	Confident	79.7	Confident	121 Å²	121	109.4 Å²	109.4	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-63.8	-43.9	173.6	-73.6	-174.2	-21.3	0	0	111.8	Q786 A787 L792 Q793 E794	Q786-Q790 PolarHBondContact O-N 2.81Å; Q786-Q790 VanDerWaalsContact O-N 3.1Å; A787-Q790 PolarHBondContact O-N 3.5Å; Q790-L792 VanDerWaalsContact C-N 3.29Å; Q790-L792 PolarHBondContact O-N 3.25Å; Q790-Q793 PolarHBondContact O-N 3.34Å; Q790-Q793 VanDerWaalsContact O-N 3.16Å; Q790-E794 PolarHBondContact O-N 2.93Å
791	S	85.1	Confident	79.8	Confident	75 Å²	75	110.9 Å²	110.9	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-63.6	-31.3	177.5	-175.7	0	0	0	0	113.2	A787 L788 H795	A787-S791 WeakPolarHBondContact O-CB 3.39Å; A787-S791 PolarHBondContact O-N 3.14Å; L788-S791 PolarHBondContact O-N 2.83Å; S791-H795 WeakPolarHBondContact O-CB 3.19Å; S791-H795 PolarHBondContact O-N 3.13Å; S791-H795 VanDerWaalsContact O-N 3.16Å
792	L	82.8	Confident	79.7	Confident	104 Å²	104	111 Å²	111	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-67.4	-47.6	172	-122.6	83.8	0	0	0	110.9	L788 A789 Q790 E794 H795 E796	L788-L792 PolarHBondContact O-N 3.25Å; A789-L792 PolarHBondContact O-N 3.09Å; Q790-L792 VanDerWaalsContact C-N 3.29Å; Q790-L792 PolarHBondContact O-N 3.25Å; L792-E794 VanDerWaalsContact C-N 3.32Å; L792-E794 PolarHBondContact O-N 3.29Å; L792-H795 WeakPolarHBondContact O-CB 3.2Å; L792-H795 PolarHBondContact O-N 3.32Å; L792-H795 VanDerWaalsContact O-N 3.09Å; L792-E796 PolarHBondContact O-N 2.81Å
793	Q	81.5	Confident	79.5	Confident	136 Å²	136	109.1 Å²	109.1	64%	0.636	55%	0.551	S	S	*	*	H	α-helix	trans	-64.7	-35.6	-178.3	-168.2	174.8	14.2	0	0	112.3	A789 Q790 A797	A789-Q793 PolarHBondContact O-N 2.85Å; A789-Q793 VanDerWaalsContact O-N 3.12Å; Q790-Q793 PolarHBondContact O-N 3.34Å; Q790-Q793 VanDerWaalsContact O-N 3.16Å; Q793-A797 WeakPolarHBondContact O-CB 3.45Å; Q793-A797 PolarHBondContact O-N 3.25Å
794	E	83.2	Confident	79.3	Confident	146 Å²	146	106.8 Å²	106.8	68%	0.682	54%	0.542	S	S	*	.	H	α-helix	trans	-68.6	-36.9	171.4	-70.7	-166.4	144.5	0	0	112.5	Q790 L792 A797 Q798	Q790-E794 PolarHBondContact O-N 2.93Å; L792-E794 VanDerWaalsContact C-N 3.32Å; L792-E794 PolarHBondContact O-N 3.29Å; E794-A797 CarbonylContact O-C 3.58Å; E794-A797 PolarHBondContact O-N 3.19Å; E794-Q798 WeakPolarHBondContact O-CB 3.33Å; E794-Q798 PolarHBondContact O-N 2.89Å
795	H	77.4	Confident	79.6	Confident	107 Å²	107	104.9 Å²	104.9	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-64.8	-47.3	175.7	-167.3	-74.8	0	0	0	111.9	S791 L792 A797 Q798 E799	S791-H795 WeakPolarHBondContact O-CB 3.19Å; S791-H795 PolarHBondContact O-N 3.13Å; S791-H795 VanDerWaalsContact O-N 3.16Å; L792-H795 WeakPolarHBondContact O-CB 3.2Å; L792-H795 PolarHBondContact O-N 3.32Å; L792-H795 VanDerWaalsContact O-N 3.09Å; H795-A797 VanDerWaalsContact C-N 3.31Å; H795-A797 PolarHBondContact O-N 3.22Å; H795-Q798 PolarHBondContact O-N 2.94Å; H795-Q798 VanDerWaalsContact O-N 3.07Å; H795-E799 IonicContact CE1-OE1 3.9Å; H795-E799 IonicContact CE1-OE2 2.7Å; H795-E799 PolarHBondContact CE1-OE2 3.2Å; H795-E799 VanDerWaalsContact CE1-OE2 3.27Å; H795-E799 IonicContact ND1-OE2 2.64Å; H795-E799 PolarHBondContact ND1-OE2 2.78Å; H795-E799 PolarHBondContact O-N 3.28Å
796	E	80.9	Confident	79.4	Confident	117 Å²	117	104.6 Å²	104.6	55%	0.547	53%	0.534	S	S	.	.	H	α-helix	trans	-61.2	-40.7	175.3	-68.8	-179.6	169.9	0	0	111.6	L792 Q798 M800	L792-E796 PolarHBondContact O-N 2.81Å; E796-Q798 PolarHBondContact O-N 3.4Å; E796-M800 PolarHBondContact O-N 3.39Å; E796-M800 VanDerWaalsContact O-N 3.15Å
797	A	80.9	Confident	79	Confident	38 Å²	38	103.3 Å²	103.3	31%	0.314	53%	0.527	S	S	.	.	H	α-helix	trans	-73.5	-9.2	175.8	0	0	0	0	0	114.2	Q793 E794 H795 R801	Q793-A797 WeakPolarHBondContact O-CB 3.45Å; Q793-A797 PolarHBondContact O-N 3.25Å; E794-A797 CarbonylContact O-C 3.58Å; E794-A797 PolarHBondContact O-N 3.19Å; H795-A797 VanDerWaalsContact C-N 3.31Å; H795-A797 PolarHBondContact O-N 3.22Å; A797-R801 WeakPolarHBondContact O-CD 3.4Å; A797-R801 WeakPolarHBondContact O-CG 3.43Å; A797-R801 PolarHBondContact O-NE 2.68Å
798	Q	73.6	Confident	78.7	Confident	110 Å²	110	106.4 Å²	106.4	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-96.4	-44.1	170.5	-178	168.8	-27.9	0	0	111.3	E794 H795 E796 M800 R801 E802	E794-Q798 WeakPolarHBondContact O-CB 3.33Å; E794-Q798 PolarHBondContact O-N 2.89Å; H795-Q798 PolarHBondContact O-N 2.94Å; H795-Q798 VanDerWaalsContact O-N 3.07Å; E796-Q798 PolarHBondContact O-N 3.4Å; Q798-M800 VanDerWaalsContact C-N 3.31Å; Q798-M800 PolarHBondContact O-N 3.36Å; Q798-R801 WeakPolarHBondContact O-CA 3.5Å; Q798-R801 WeakPolarHBondContact O-CB 3.34Å; Q798-R801 PolarHBondContact O-N 3.42Å; Q798-E802 HydrophobicContact CG-CG 4.37Å; Q798-E802 WeakPolarHBondContact CG-OE1 3.47Å; Q798-E802 PolarHBondContact NE2-OE1 2.91Å; Q798-E802 PolarHBondContact O-N 2.66Å
799	E	75.9	Confident	78.3	Confident	103 Å²	103	103 Å²	103	48%	0.481	52%	0.516	S	S	.	.	H	α-helix	trans	-57	-43	175	-81.7	-178.3	133.1	0	0	111.2	H795 R801 E802 D803	H795-E799 IonicContact CE1-OE1 3.9Å; H795-E799 IonicContact CE1-OE2 2.7Å; H795-E799 PolarHBondContact CE1-OE2 3.2Å; H795-E799 VanDerWaalsContact CE1-OE2 3.27Å; H795-E799 IonicContact ND1-OE2 2.64Å; H795-E799 PolarHBondContact ND1-OE2 2.78Å; H795-E799 PolarHBondContact O-N 3.28Å; E799-R801 PolarHBondContact O-N 3.43Å; E799-E802 PolarHBondContact O-N 2.88Å; E799-D803 WeakPolarHBondContact O-CB 3.28Å; E799-D803 PolarHBondContact O-N 3.49Å
800	M	72.8	Confident	77.7	Confident	136 Å²	136	103.5 Å²	103.5	67%	0.67	51%	0.513	S	S	*	.	H	α-helix	trans	-59.4	-28.3	173.4	-81.8	-160.7	-67.3	0	0	114.4	E796 Q798 D804	E796-M800 PolarHBondContact O-N 3.39Å; E796-M800 VanDerWaalsContact O-N 3.15Å; Q798-M800 VanDerWaalsContact C-N 3.31Å; Q798-M800 PolarHBondContact O-N 3.36Å; M800-D804 WeakPolarHBondContact O-CB 3.39Å; M800-D804 PolarHBondContact O-N 3.4Å
801	R	80.9	Confident	77.1	Confident	171 Å²	171	104.4 Å²	104.4	65%	0.645	52%	0.517	S	S	*	.	H	α-helix	trans	-79.4	-44.5	176.9	-62	175.4	-157.6	-128.9	5.8	111.3	A797 Q798 E799 D803 D804 D805	A797-R801 WeakPolarHBondContact O-CD 3.4Å; A797-R801 WeakPolarHBondContact O-CG 3.43Å; A797-R801 PolarHBondContact O-NE 2.68Å; Q798-R801 WeakPolarHBondContact O-CA 3.5Å; Q798-R801 WeakPolarHBondContact O-CB 3.34Å; Q798-R801 PolarHBondContact O-N 3.42Å; E799-R801 PolarHBondContact O-N 3.43Å; R801-D803 PolarHBondContact O-N 2.78Å; R801-D804 PolarHBondContact O-N 3.31Å; R801-D805 WeakPolarHBondContact O-CB 3.24Å; R801-D805 PolarHBondContact O-N 2.89Å
802	E	74.9	Confident	76.2	Confident	114 Å²	114	105.5 Å²	105.5	53%	0.533	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-37.6	177	-68.4	-176.3	-165.1	0	0	110.8	Q798 E799 L806	Q798-E802 HydrophobicContact CG-CG 4.37Å; Q798-E802 WeakPolarHBondContact CG-OE1 3.47Å; Q798-E802 PolarHBondContact NE2-OE1 2.91Å; Q798-E802 PolarHBondContact O-N 2.66Å; E799-E802 PolarHBondContact O-N 2.88Å; E802-L806 VanDerWaalsContact O-CB 3.24Å; E802-L806 WeakPolarHBondContact O-CB 3.42Å; E802-L806 PolarHBondContact O-N 3.04Å
803	D	77.3	Confident	75.6	Confident	85 Å²	85	104 Å²	104	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-37.5	177	-149.8	57.6	0	0	0	112.4	E799 R801 K807	E799-D803 WeakPolarHBondContact O-CB 3.28Å; E799-D803 PolarHBondContact O-N 3.49Å; R801-D803 PolarHBondContact O-N 2.78Å; D803-K807 WeakPolarHBondContact O-CD 3.26Å; D803-K807 WeakPolarHBondContact O-CE 3.5Å; D803-K807 VanDerWaalsContact O-CG 3.25Å; D803-K807 WeakPolarHBondContact O-CG 3.44Å; D803-K807 PolarHBondContact O-N 3.08Å; D803-K807 VanDerWaalsContact OD2-CE 3.24Å; D803-K807 WeakPolarHBondContact OD2-CE 3.27Å; D803-K807 IonicContact OD2-NZ 2.73Å; D803-K807 PolarHBondContact OD2-NZ 2.96Å
804	D	79.4	Confident	74.8	Confident	73 Å²	73	102.3 Å²	102.3	39%	0.39	51%	0.509	S	S	.	.	H	α-helix	trans	-75.3	-32.8	174.2	-90.2	14	0	0	0	113.7	M800 R801 K807 R808	M800-D804 WeakPolarHBondContact O-CB 3.39Å; M800-D804 PolarHBondContact O-N 3.4Å; R801-D804 PolarHBondContact O-N 3.31Å; D804-K807 IonicContact OD1-NZ 3.21Å; D804-K807 PolarHBondContact OD1-NZ 2.84Å; D804-R808 WeakPolarHBondContact O-CG 3.26Å; D804-R808 PolarHBondContact O-N 3.11Å
805	D	81.5	Confident	73.4	Confident	89 Å²	89	100.7 Å²	100.7	48%	0.476	50%	0.501	S	S	.	.	H	α-helix	trans	-71.3	-34	170.4	-78.5	-25.4	0	0	0	111.6	R801 R808 A809	R801-D805 WeakPolarHBondContact O-CB 3.24Å; R801-D805 PolarHBondContact O-N 2.89Å; D805-R808 PolarHBondContact O-N 2.86Å; D805-R808 IonicContact OD1-CZ 2.69Å; D805-R808 IonicContact OD1-NE 3.12Å; D805-R808 PolarHBondContact OD1-NE 3.31Å; D805-R808 IonicContact OD1-NH2 3.41Å; D805-R808 PolarHBondContact OD1-NH2 2.98Å; D805-A809 VanDerWaalsContact O-CB 3.32Å; D805-A809 WeakPolarHBondContact O-CB 3.38Å; D805-A809 PolarHBondContact O-N 3.4Å
806	L	75.4	Confident	72.6	Confident	107 Å²	107	101.9 Å²	101.9	56%	0.56	51%	0.507	S	S	*	.	H	α-helix	trans	-66	-39.3	172.3	-173.4	64.8	0	0	0	111.8	E802 A809 T810	E802-L806 VanDerWaalsContact O-CB 3.24Å; E802-L806 WeakPolarHBondContact O-CB 3.42Å; E802-L806 PolarHBondContact O-N 3.04Å; L806-A809 PolarHBondContact O-N 3.29Å; L806-T810 WeakPolarHBondContact O-CB 3.31Å; L806-T810 PolarHBondContact O-N 2.82Å; L806-T810 PolarHBondContact O-OG1 2.71Å
807	K	73.5	Confident	71.2	Confident	105 Å²	105	103 Å²	103	46%	0.457	51%	0.511	S	S	.	.	H	α-helix	trans	-60.5	-50.8	170.8	-70.7	159.4	-146	151.4	0	110.9	D803 D804 A809 T810 E811	D803-K807 WeakPolarHBondContact O-CD 3.26Å; D803-K807 WeakPolarHBondContact O-CE 3.5Å; D803-K807 VanDerWaalsContact O-CG 3.25Å; D803-K807 WeakPolarHBondContact O-CG 3.44Å; D803-K807 PolarHBondContact O-N 3.08Å; D803-K807 VanDerWaalsContact OD2-CE 3.24Å; D803-K807 WeakPolarHBondContact OD2-CE 3.27Å; D803-K807 IonicContact OD2-NZ 2.73Å; D803-K807 PolarHBondContact OD2-NZ 2.96Å; D804-K807 IonicContact OD1-NZ 3.21Å; D804-K807 PolarHBondContact OD1-NZ 2.84Å; K807-A809 PolarHBondContact O-N 2.93Å; K807-T810 PolarHBondContact O-N 3.39Å; K807-E811 WeakPolarHBondContact O-CB 3.12Å; K807-E811 PolarHBondContact O-N 2.95Å
808	R	76.4	Confident	69.9	Low	118 Å²	118	106.3 Å²	106.3	45%	0.445	52%	0.523	S	S	.	.	H	α-helix	trans	-57.2	-44.8	176.2	-77.8	-176.3	-80.5	-83.8	4	112.5	D804 D805 T810 E811 L812	D804-R808 WeakPolarHBondContact O-CG 3.26Å; D804-R808 PolarHBondContact O-N 3.11Å; D805-R808 PolarHBondContact O-N 2.86Å; D805-R808 IonicContact OD1-CZ 2.69Å; D805-R808 IonicContact OD1-NE 3.12Å; D805-R808 PolarHBondContact OD1-NE 3.31Å; D805-R808 IonicContact OD1-NH2 3.41Å; D805-R808 PolarHBondContact OD1-NH2 2.98Å; R808-T810 VanDerWaalsContact C-N 3.34Å; R808-T810 PolarHBondContact O-N 2.9Å; R808-E811 PolarHBondContact O-N 2.74Å; R808-L812 WeakPolarHBondContact O-CB 3.22Å; R808-L812 VanDerWaalsContact O-CG 3.29Å; R808-L812 WeakPolarHBondContact O-CG 3.28Å; R808-L812 PolarHBondContact O-N 2.96Å
809	A	67.2	Low	68.6	Low	47 Å²	47	106.5 Å²	106.5	39%	0.388	53%	0.528	S	S	.	.	H	α-helix	trans	-64.9	-36.9	177.9	0	0	0	0	0	112.5	D805 L806 K807 S813	D805-A809 VanDerWaalsContact O-CB 3.32Å; D805-A809 WeakPolarHBondContact O-CB 3.38Å; D805-A809 PolarHBondContact O-N 3.4Å; L806-A809 PolarHBondContact O-N 3.29Å; K807-A809 PolarHBondContact O-N 2.93Å; A809-S813 WeakPolarHBondContact O-CB 3.48Å; A809-S813 PolarHBondContact O-N 3.48Å; A809-S813 PolarHBondContact O-OG 3.18Å
810	T	70.3	Confident	67.3	Low	72 Å²	72	105.1 Å²	105.1	44%	0.442	53%	0.53	S	S	.	.	H	α-helix	trans	-68.8	-42.6	175.9	-55.3	0	0	0	0	111.4	L806 K807 R808 S813 L814	L806-T810 WeakPolarHBondContact O-CB 3.31Å; L806-T810 PolarHBondContact O-N 2.82Å; L806-T810 PolarHBondContact O-OG1 2.71Å; K807-T810 PolarHBondContact O-N 3.39Å; R808-T810 VanDerWaalsContact C-N 3.34Å; R808-T810 PolarHBondContact O-N 2.9Å; T810-S813 PolarHBondContact O-N 3.33Å; T810-L814 HydrophobicContact CG2-CD1 4.22Å; T810-L814 WeakPolarHBondContact O-CG 2.89Å; T810-L814 PolarHBondContact O-N 3.42Å
811	E	69.1	Low	66	Low	139 Å²	139	104.3 Å²	104.3	65%	0.65	53%	0.527	S	S	*	.	H	α-helix	trans	-63.4	-45	176.4	-171.9	168.8	-156.5	0	0	111.5	K807 R808 L814 Q815	K807-E811 WeakPolarHBondContact O-CB 3.12Å; K807-E811 PolarHBondContact O-N 2.95Å; R808-E811 PolarHBondContact O-N 2.74Å; E811-L814 PolarHBondContact O-N 2.83Å; E811-Q815 WeakPolarHBondContact O-CB 3.33Å; E811-Q815 PolarHBondContact O-N 3.4Å
812	L	66.3	Low	64.1	Low	99 Å²	99	100.8 Å²	100.8	52%	0.518	53%	0.527	S	S	.	.	H	α-helix	trans	-60.8	-43.9	173	-72.3	168.4	0	0	0	112.2	R808 L814 Q815 E816	R808-L812 WeakPolarHBondContact O-CB 3.22Å; R808-L812 VanDerWaalsContact O-CG 3.29Å; R808-L812 WeakPolarHBondContact O-CG 3.28Å; R808-L812 PolarHBondContact O-N 2.96Å; L812-L814 VanDerWaalsContact C-N 3.32Å; L812-L814 PolarHBondContact O-N 3.37Å; L812-Q815 WeakPolarHBondContact O-CB 3.33Å; L812-Q815 PolarHBondContact O-N 3.38Å; L812-Q815 VanDerWaalsContact O-N 3.11Å; L812-E816 WeakPolarHBondContact O-CG 3.36Å; L812-E816 PolarHBondContact O-N 3.49Å
813	S	69.3	Low	62.3	Low	72 Å²	72	104 Å²	104	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-62.2	-38.9	177.6	-58.5	0	0	0	0	112.2	A809 T810 F817	A809-S813 WeakPolarHBondContact O-CB 3.48Å; A809-S813 PolarHBondContact O-N 3.48Å; A809-S813 PolarHBondContact O-OG 3.18Å; T810-S813 PolarHBondContact O-N 3.33Å; S813-F817 WeakPolarHBondContact O-CB 3.39Å; S813-F817 PolarHBondContact O-N 3.48Å
814	L	63.9	Low	60.5	Low	101 Å²	101	107.1 Å²	107.1	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-70.4	-33.2	174.3	-71.1	169	0	0	0	111.8	T810 E811 L812 N818	T810-L814 HydrophobicContact CG2-CD1 4.22Å; T810-L814 WeakPolarHBondContact O-CG 2.89Å; T810-L814 PolarHBondContact O-N 3.42Å; E811-L814 PolarHBondContact O-N 2.83Å; L812-L814 VanDerWaalsContact C-N 3.32Å; L812-L814 PolarHBondContact O-N 3.37Å; L814-N818 PolarHBondContact O-N 3.09Å; L814-N818 VanDerWaalsContact O-N 3.08Å; L814-N818 PolarHBondContact O-ND2 3.24Å
815	Q	54.7	Low	58.6	Low	111 Å²	111	111.6 Å²	111.6	52%	0.519	58%	0.58	S	S	.	*	H	α-helix	trans	-70.1	-42.9	175.6	-164.9	171.1	22.4	0	0	111.6	E811 L812 N818 N819	E811-Q815 WeakPolarHBondContact O-CB 3.33Å; E811-Q815 PolarHBondContact O-N 3.4Å; L812-Q815 WeakPolarHBondContact O-CB 3.33Å; L812-Q815 PolarHBondContact O-N 3.38Å; L812-Q815 VanDerWaalsContact O-N 3.11Å; Q815-N818 PolarHBondContact O-N 3.35Å; Q815-N819 WeakPolarHBondContact O-CB 3.2Å; Q815-N819 PolarHBondContact O-N 2.86Å; Q815-N819 PolarHBondContact O-ND2 3.5Å
816	E	61	Low	56.5	Low	132 Å²	132	110.2 Å²	110.2	62%	0.617	59%	0.587	S	S	*	*	H	α-helix	trans	-61.7	-43.2	173	-73.6	-176.5	165.6	0	0	112.2	L812 N819 S820	L812-E816 WeakPolarHBondContact O-CG 3.36Å; L812-E816 PolarHBondContact O-N 3.49Å; E816-N819 PolarHBondContact O-N 3.09Å; E816-S820 WeakPolarHBondContact O-CB 3.34Å; E816-S820 PolarHBondContact O-N 3.19Å; E816-S820 PolarHBondContact O-OG 3.4Å
817	F	50.8	Low	54.9	Low	141 Å²	141	110.3 Å²	110.3	62%	0.618	60%	0.597	S	S	*	*	H	α-helix	trans	-61.2	-44.1	176.1	-176.4	-96	0	0	0	112.5	S813 S820	S813-F817 WeakPolarHBondContact O-CB 3.39Å; S813-F817 PolarHBondContact O-N 3.48Å; F817-S820 PolarHBondContact O-N 2.91Å
818	N	53.3	Low	53.2	Low	108 Å²	108	111.9 Å²	111.9	58%	0.578	61%	0.61	S	S	*	*	H	α-helix	trans	-68.2	-35.1	176.6	-76.8	-60.4	0	0	0	112.5	L814 Q815	L814-N818 PolarHBondContact O-N 3.09Å; L814-N818 VanDerWaalsContact O-N 3.08Å; L814-N818 PolarHBondContact O-ND2 3.24Å; Q815-N818 PolarHBondContact O-N 3.35Å
819	N	45.9	Very low	51.5	Low	114 Å²	114	114 Å²	114	61%	0.61	63%	0.631	S	S	*	*	H	α-helix	trans	-74.3	-26.7	178	-71	-17.1	0	0	0	113.4	Q815 E816 P822	Q815-N819 WeakPolarHBondContact O-CB 3.2Å; Q815-N819 PolarHBondContact O-N 2.86Å; Q815-N819 PolarHBondContact O-ND2 3.5Å; E816-N819 PolarHBondContact O-N 3.09Å; N819-P822 VanDerWaalsContact O-CD 3.27Å; N819-P822 WeakPolarHBondContact O-CD 3.35Å
820	S	48.5	Very low	49.9	Very low	74 Å²	74	117.5 Å²	117.5	52%	0.517	64%	0.643	S	S	.	*	H	α-helix	trans	-80.4	-16.9	-179.4	-62.8	0	0	0	0	114	E816 F817 P822	E816-S820 WeakPolarHBondContact O-CB 3.34Å; E816-S820 PolarHBondContact O-N 3.19Å; E816-S820 PolarHBondContact O-OG 3.4Å; F817-S820 PolarHBondContact O-N 2.91Å; S820-P822 VanDerWaalsContact C-CD 3.5Å
821	L	45.5	Very low	48.8	Very low	119 Å²	119	119.4 Å²	119.4	62%	0.623	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-31.4	-174.2	-152	77	0	0	0	115.9
822	P	41.9	Very low	47.2	Very low	97 Å²	97	115.5 Å²	115.5	63%	0.63	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-23.8	-177	-18.5	34	0	0	0	116.3	N819 S820	N819-P822 VanDerWaalsContact O-CD 3.27Å; N819-P822 WeakPolarHBondContact O-CD 3.35Å; S820-P822 VanDerWaalsContact C-CD 3.5Å
823	E	38.2	Very low	45.9	Very low	182 Å²	182	116.6 Å²	116.6	85%	0.85	66%	0.662	S	S	*	*	S	Bend	trans	-103.6	-1.3	-159.2	-154.7	160.6	-139	0	0	114.6
824	L	38.7	Very low	44.6	Very low	150 Å²	150	119.1 Å²	119.1	79%	0.785	67%	0.666	S	S	*	*			trans	-104.6	38.1	178	-93.9	165.3	0	0	0	113.5
825	L	39.1	Very low	43.4	Very low	167 Å²	167	119.9 Å²	119.9	87%	0.874	67%	0.671	S	S	*	*			trans	-108	54.5	171.2	-69.8	178.7	0	0	0	111.7
826	G	38.3	Very low	42.9	Very low	60 Å²	60	118.2 Å²	118.2	62%	0.619	67%	0.668	S	S	*	*	S	Bend	trans	-161.6	141.1	172.9	0	0	0	0	0	111.8
827	S	40.9	Very low	42.2	Very low	109 Å²	109	115.1 Å²	115.1	76%	0.762	66%	0.655	S	S	*	*			trans	73.7	45.7	179	-166.6	0	0	0	0	117.2
828	D	37.1	Very low	42.3	Very low	137 Å²	137	111 Å²	111	73%	0.733	64%	0.64	S	S	*	*			trans	-95.8	84.6	150.5	-91.3	-28.3	0	0	0	109.1	D830	D828-D830 VanDerWaalsContact C-N 3.25Å; D828-D830 PolarHBondContact O-N 2.75Å; D828-D830 VanDerWaalsContact O-N 3.16Å
829	D	41.3	Very low	42.8	Very low	164 Å²	164	107.3 Å²	107.3	88%	0.877	62%	0.619	S	S	*	*			trans	-82.1	70.7	166.1	-78	-56	0	0	0	109.6
830	D	34.8	Very low	43.8	Very low	120 Å²	120	110.6 Å²	110.6	64%	0.642	63%	0.631	S	S	*	*			trans	-114.4	115.5	171.6	-172	17.4	0	0	0	109.2	D828 G832	D828-D830 VanDerWaalsContact C-N 3.25Å; D828-D830 PolarHBondContact O-N 2.75Å; D828-D830 VanDerWaalsContact O-N 3.16Å; D830-G832 VanDerWaalsContact C-N 3.33Å; D830-G832 PolarHBondContact O-N 3.25Å
831	S	45.3	Very low	45.3	Very low	112 Å²	112	110.2 Å²	110.2	78%	0.783	62%	0.619	S	S	*	*			trans	-78.7	77.3	-168.3	60.9	0	0	0	0	112
832	G	37.3	Very low	47.3	Very low	57 Å²	57	108.4 Å²	108.4	59%	0.588	61%	0.613	S	S	*	*	S	Bend	trans	-136.5	38.9	-169.5	0	0	0	0	0	115.8	D830	D830-G832 VanDerWaalsContact C-N 3.33Å; D830-G832 PolarHBondContact O-N 3.25Å
833	N	39.2	Very low	49.4	Very low	121 Å²	121	112.2 Å²	112.2	65%	0.647	62%	0.622	S	S	*	*			trans	53.4	61.6	168.6	-154.5	15.1	0	0	0	115.1	D835	N833-D835 PolarHBondContact O-N 3.26Å
834	E	41.5	Very low	51.7	Low	125 Å²	125	106.9 Å²	106.9	58%	0.584	61%	0.609	S	S	*	*			trans	-72.2	11.3	-177.4	-98.3	-72	138.7	0	0	115.6	K500 V836	K500-E834 WeakPolarHBondContact CE-OE2 3.48Å; K500-E834 IonicContact NZ-OE2 3.98Å; K500-E834 PolarHBondContact NZ-OE2 3.08Å; E834-V836 PolarHBondContact O-N 3.04Å
835	D	38.1	Very low	54	Low	117 Å²	117	104.2 Å²	104.2	63%	0.626	59%	0.592	S	S	*	*			trans	-63.9	126.5	168.1	-89.5	-24.7	0	0	0	110	N833 L837	N833-D835 PolarHBondContact O-N 3.26Å; D835-L837 HydrophobicContact CB-CD1 4.4Å; D835-L837 HydrophobicContact CB-CD2 3.82Å; D835-L837 HydrophobicContact CB-CG 3.73Å; D835-L837 PolarHBondContact O-N 2.69Å
836	V	45.1	Very low	56.3	Low	76 Å²	76	98.3 Å²	98.3	46%	0.461	57%	0.568	S	S	.	*			trans	-77.5	70.1	172.7	-172.6	0	0	0	0	108.2	K500 L503 E834 D838	K500-V836 HydrophobicContact CD-CG2 3.65Å; K500-V836 VanDerWaalsContact NZ-CG2 3.26Å; L503-V836 HydrophobicContact CD1-CG1 4.13Å; E834-V836 PolarHBondContact O-N 3.04Å; V836-D838 PolarHBondContact O-N 2.91Å
837	L	46	Very low	58.7	Low	67 Å²	67	99.2 Å²	99.2	35%	0.351	56%	0.556	S	S	.	*			trans	-73.3	79.5	176.9	-60.5	-178.4	0	0	0	109.2	D835 M839	D835-L837 HydrophobicContact CB-CD1 4.4Å; D835-L837 HydrophobicContact CB-CD2 3.82Å; D835-L837 HydrophobicContact CB-CG 3.73Å; D835-L837 PolarHBondContact O-N 2.69Å; L837-M839 PolarHBondContact O-N 2.86Å
838	D	53.4	Low	61.1	Low	55 Å²	55	96.5 Å²	96.5	29%	0.294	54%	0.535	S	S	.	.			trans	-56	136.9	164	-98.4	-55.9	0	0	0	109.8	L503 R506 V836 E840	L503-D838 WeakPolarHBondContact CD2-OD2 3.42Å; R506-D838 IonicContact CZ-OD1 3.85Å; R506-D838 IonicContact NH1-OD1 2.67Å; R506-D838 PolarHBondContact NH1-OD1 2.91Å; R506-D838 IonicContact NH2-OD1 3.66Å; R506-D838 PolarHBondContact NH2-OD1 3.02Å; V836-D838 PolarHBondContact O-N 2.91Å; D838-E840 PolarHBondContact O-N 2.85Å
839	M	63.1	Low	63.7	Low	31 Å²	31	91.5 Å²	91.5	15%	0.153	51%	0.508	C	S	.	.			trans	-85.9	90.5	176.8	-165.9	121	67.8	0	0	108.3	D510 D513 L514 L837 Y841	D510-M839 HydrophobicContact CB-CE 4.34Å; D510-M839 WeakPolarHBondContact O-CE 3.48Å; D513-M839 HydrophobicContact CB-CE 3.39Å; D513-M839 HydrophobicContact CB-SD 4.17Å; L514-M839 HydrophobicContact CB-CE 4.47Å; L514-M839 HydrophobicContact CD2-CE 4.02Å; L514-M839 HydrophobicContact CD2-SD 4.09Å; L514-M839 HydrophobicContact CG-CE 3.71Å; L514-M839 HydrophobicContact CG-SD 4.41Å; L837-M839 PolarHBondContact O-N 2.86Å; M839-Y841 VanDerWaalsContact C-N 3.31Å; M839-Y841 HydrophobicContact CE-CE2 4.47Å; M839-Y841 HydrophobicContact CG-CD2 4.37Å; M839-Y841 HydrophobicContact CG-CE1 4.11Å; M839-Y841 HydrophobicContact CG-CE2 3.91Å; M839-Y841 PolarHBondContact O-N 3.4Å
840	E	67.6	Low	66	Low	183 Å²	183	89.1 Å²	89.1	86%	0.855	49%	0.49	S	S	*	.			trans	-74.6	83.5	177.6	-64.2	-170.8	158.1	0	0	110.5	D838	D838-E840 PolarHBondContact O-N 2.85Å
841	Y	79.8	Confident	68.7	Low	66 Å²	66	88.9 Å²	88.9	26%	0.259	48%	0.48	S	S	.	.			trans	-69.3	143.3	159.1	-66.6	-54.2	0	0	0	110	D513 M839 E845 L849	D513-Y841 VanDerWaalsContact CB-OH 3.23Å; D513-Y841 WeakPolarHBondContact CB-OH 3.49Å; D513-Y841 PolarHBondContact OD2-OH 2.68Å; M839-Y841 VanDerWaalsContact C-N 3.31Å; M839-Y841 HydrophobicContact CE-CE2 4.47Å; M839-Y841 HydrophobicContact CG-CD2 4.37Å; M839-Y841 HydrophobicContact CG-CE1 4.11Å; M839-Y841 HydrophobicContact CG-CE2 3.91Å; M839-Y841 PolarHBondContact O-N 3.4Å; Y841-E845 HydrophobicContact CD1-CB 4.33Å; Y841-L849 HydrophobicContact CD1-CD1 4.08Å; Y841-L849 HydrophobicContact CD2-CD1 3.98Å; Y841-L849 HydrophobicContact CE1-CD1 3.79Å; Y841-L849 HydrophobicContact CE2-CD1 3.64Å; Y841-L849 HydrophobicContact CG-CD1 4.18Å
842	T	86.1	Confident	71	Confident	80 Å²	80	83.7 Å²	83.7	49%	0.491	44%	0.443	S	S	.	.			trans	-63	154.2	162.9	63.6	0	0	0	0	109.9	A844 E845 A846	T842-A844 PolarHBondContact O-N 2.87Å; T842-A844 VanDerWaalsContact O-N 3.14Å; T842-E845 VanDerWaalsContact CB-OE2 3.29Å; T842-E845 WeakPolarHBondContact CB-OE2 3.37Å; T842-E845 WeakPolarHBondContact CG2-OE2 3.5Å; T842-E845 PolarHBondContact N-OE2 2.79Å; T842-E845 PolarHBondContact O-N 2.86Å; T842-E845 VanDerWaalsContact OG1-CD 3.25Å; T842-E845 VanDerWaalsContact OG1-CG 3.3Å; T842-E845 WeakPolarHBondContact OG1-CG 3.29Å; T842-E845 PolarHBondContact OG1-N 3.09Å; T842-E845 PolarHBondContact OG1-OE2 2.7Å; T842-A846 PolarHBondContact O-N 2.91Å
843	E	85.8	Confident	73.6	Confident	177 Å²	177	82.1 Å²	82.1	83%	0.827	43%	0.425	S	S	*	.	H	α-helix	trans	-55.1	-34.5	178.6	-173.1	175.8	-166.8	0	0	112.3	E847	E843-E847 WeakPolarHBondContact O-CB 3.43Å; E843-E847 PolarHBondContact O-N 2.59Å; E843-E847 VanDerWaalsContact O-N 3.07Å
844	A	87.6	Confident	76.2	Confident	70 Å²	70	82.8 Å²	82.8	58%	0.579	42%	0.424	S	S	*	.	H	α-helix	trans	-67.9	-43.1	174.8	0	0	0	0	0	113	T842 T848	T842-A844 PolarHBondContact O-N 2.87Å; T842-A844 VanDerWaalsContact O-N 3.14Å; A844-T848 VanDerWaalsContact O-CG2 3.32Å; A844-T848 WeakPolarHBondContact O-CG2 3.25Å; A844-T848 PolarHBondContact O-N 2.76Å; A844-T848 PolarHBondContact O-OG1 2.91Å
845	E	87.4	Confident	78.6	Confident	94 Å²	94	79 Å²	79	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-66.7	-42.5	175.4	-72	161.9	135.6	0	0	111.5	Y841 T842 E847 T848 L849	Y841-E845 HydrophobicContact CD1-CB 4.33Å; T842-E845 VanDerWaalsContact CB-OE2 3.29Å; T842-E845 WeakPolarHBondContact CB-OE2 3.37Å; T842-E845 WeakPolarHBondContact CG2-OE2 3.5Å; T842-E845 PolarHBondContact N-OE2 2.79Å; T842-E845 PolarHBondContact O-N 2.86Å; T842-E845 VanDerWaalsContact OG1-CD 3.25Å; T842-E845 VanDerWaalsContact OG1-CG 3.3Å; T842-E845 WeakPolarHBondContact OG1-CG 3.29Å; T842-E845 PolarHBondContact OG1-N 3.09Å; T842-E845 PolarHBondContact OG1-OE2 2.7Å; E845-E847 VanDerWaalsContact C-N 3.33Å; E845-E847 PolarHBondContact O-N 3.41Å; E845-T848 WeakPolarHBondContact CA-OG1 3.45Å; E845-T848 PolarHBondContact O-N 3.45Å; E845-T848 PolarHBondContact O-OG1 3.49Å; E845-L849 WeakPolarHBondContact O-CB 3.39Å; E845-L849 WeakPolarHBondContact O-CG 3.27Å; E845-L849 PolarHBondContact O-N 2.85Å
846	A	86.9	Confident	81.2	Confident	43 Å²	43	73.4 Å²	73.4	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-43.4	176.3	0	0	0	0	0	111.7	T842 K850	T842-A846 PolarHBondContact O-N 2.91Å; A846-K850 WeakPolarHBondContact O-CB 3.46Å; A846-K850 PolarHBondContact O-N 2.8Å
847	E	89.4	Confident	83.3	Confident	80 Å²	80	75.7 Å²	75.7	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-75.5	-27.3	178.6	-168.1	57.1	-141.5	0	0	113.2	E843 E845 K850 R851	E843-E847 WeakPolarHBondContact O-CB 3.43Å; E843-E847 PolarHBondContact O-N 2.59Å; E843-E847 VanDerWaalsContact O-N 3.07Å; E845-E847 VanDerWaalsContact C-N 3.33Å; E845-E847 PolarHBondContact O-N 3.41Å; E847-K850 IonicContact OE1-NZ 3.74Å; E847-K850 PolarHBondContact OE1-NZ 3.05Å; E847-K850 IonicContact OE2-NZ 3Å; E847-K850 PolarHBondContact OE2-NZ 3.42Å; E847-R851 PolarHBondContact O-N 2.84Å
848	T	91.2	Very high	85.5	Confident	51 Å²	51	75 Å²	75	31%	0.313	39%	0.386	S	S	.	.	H	α-helix	trans	-72.7	-41.6	170.3	59.1	0	0	0	0	111.9	A844 E845 K850 R851 N852	A844-T848 VanDerWaalsContact O-CG2 3.32Å; A844-T848 WeakPolarHBondContact O-CG2 3.25Å; A844-T848 PolarHBondContact O-N 2.76Å; A844-T848 PolarHBondContact O-OG1 2.91Å; E845-T848 WeakPolarHBondContact CA-OG1 3.45Å; E845-T848 PolarHBondContact O-N 3.45Å; E845-T848 PolarHBondContact O-OG1 3.49Å; T848-K850 VanDerWaalsContact C-N 3.34Å; T848-K850 PolarHBondContact O-N 2.91Å; T848-R851 PolarHBondContact O-N 2.81Å; T848-N852 VanDerWaalsContact O-CB 3.31Å; T848-N852 WeakPolarHBondContact O-CB 3.24Å; T848-N852 PolarHBondContact O-N 2.92Å
849	L	90.4	Very high	87.3	Confident	32 Å²	32	75.2 Å²	75.2	17%	0.168	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-41.2	173.3	-72.5	174	0	0	0	111.3	Q509 T576 Y841 E845 N852 A853	Q509-L849 HydrophobicContact CG-CD2 4.37Å; T576-L849 HydrophobicContact CG2-CD2 3.9Å; Y841-L849 HydrophobicContact CD1-CD1 4.08Å; Y841-L849 HydrophobicContact CD2-CD1 3.98Å; Y841-L849 HydrophobicContact CE1-CD1 3.79Å; Y841-L849 HydrophobicContact CE2-CD1 3.64Å; Y841-L849 HydrophobicContact CG-CD1 4.18Å; E845-L849 WeakPolarHBondContact O-CB 3.39Å; E845-L849 WeakPolarHBondContact O-CG 3.27Å; E845-L849 PolarHBondContact O-N 2.85Å; L849-N852 PolarHBondContact O-N 3.35Å; L849-A853 WeakPolarHBondContact O-CB 3.46Å; L849-A853 PolarHBondContact O-N 2.9Å
850	K	90.2	Very high	88.8	Confident	114 Å²	114	75.7 Å²	75.7	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-46.9	175.2	171.6	163.4	155.6	-85.3	0	112.8	A846 E847 T848 A853	A846-K850 WeakPolarHBondContact O-CB 3.46Å; A846-K850 PolarHBondContact O-N 2.8Å; E847-K850 IonicContact OE1-NZ 3.74Å; E847-K850 PolarHBondContact OE1-NZ 3.05Å; E847-K850 IonicContact OE2-NZ 3Å; E847-K850 PolarHBondContact OE2-NZ 3.42Å; T848-K850 VanDerWaalsContact C-N 3.34Å; T848-K850 PolarHBondContact O-N 2.91Å; K850-A853 WeakPolarHBondContact O-CB 3.26Å; K850-A853 PolarHBondContact O-N 2.85Å
851	R	92.2	Very high	90.2	Very high	116 Å²	116	67 Å²	67	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-41.2	172.5	-77.3	-174	-70.2	125.4	-9.5	112.2	E847 T848 A853 E854 A855 E857	E847-R851 PolarHBondContact O-N 2.84Å; T848-R851 PolarHBondContact O-N 2.81Å; R851-A853 VanDerWaalsContact C-N 3.28Å; R851-A853 PolarHBondContact O-N 2.86Å; R851-E854 PolarHBondContact O-N 2.86Å; R851-A855 PolarHBondContact O-N 3.18Å; R851-E857 IonicContact NH1-OE2 3.72Å; R851-E857 PolarHBondContact NH1-OE2 2.85Å
852	N	93.1	Very high	91	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.011	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-40.4	176	-168	69.2	0	0	0	111.7	Y574 T848 L849 E854 A855 G856 E857 L858 S861	Y574-N852 WeakPolarHBondContact CB-O 3.18Å; T848-N852 VanDerWaalsContact O-CB 3.31Å; T848-N852 WeakPolarHBondContact O-CB 3.24Å; T848-N852 PolarHBondContact O-N 2.92Å; L849-N852 PolarHBondContact O-N 3.35Å; N852-E854 PolarHBondContact O-N 2.97Å; N852-A855 PolarHBondContact O-N 2.81Å; N852-G856 WeakPolarHBondContact O-CA 3.2Å; N852-G856 PolarHBondContact O-N 3.4Å; N852-G856 VanDerWaalsContact OD1-C 3.25Å; N852-G856 VanDerWaalsContact OD1-CA 3.32Å; N852-G856 WeakPolarHBondContact OD1-CA 3.48Å; N852-E857 PolarHBondContact OD1-N 2.84Å; N852-L858 HydrophobicContact CB-CD1 3.76Å; N852-L858 HydrophobicContact CB-CG 3.99Å; N852-L858 WeakPolarHBondContact OD1-CB 3.42Å; N852-L858 WeakPolarHBondContact OD1-CG 3.21Å; N852-L858 PolarHBondContact OD1-N 3.17Å; N852-S861 PolarHBondContact ND2-OG 2.97Å; N852-S861 PolarHBondContact OD1-OG 3.15Å
853	A	92.2	Very high	91.6	Very high	25 Å²	25	60.6 Å²	60.6	21%	0.207	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-15.6	179.2	0	0	0	0	0	114.4	P572 R573 Y574 L849 K850 R851	P572-A853 HydrophobicContact CB-CB 3.76Å; R573-A853 WeakPolarHBondContact CA-O 3.24Å; R573-A853 WeakPolarHBondContact CB-O 3.32Å; R573-A853 PolarHBondContact N-O 3.26Å; Y574-A853 PolarHBondContact N-O 3.41Å; Y574-A853 WeakPolarHBondContact O-CA 3.44Å; L849-A853 WeakPolarHBondContact O-CB 3.46Å; L849-A853 PolarHBondContact O-N 2.9Å; K850-A853 WeakPolarHBondContact O-CB 3.26Å; K850-A853 PolarHBondContact O-N 2.85Å; R851-A853 VanDerWaalsContact C-N 3.28Å; R851-A853 PolarHBondContact O-N 2.86Å
854	E	92.6	Very high	92.2	Very high	135 Å²	135	52.1 Å²	52.1	63%	0.631	29%	0.285	S	S	*	.	H	α-helix	trans	-105.7	-37.8	175.8	-63.2	-175.2	175.7	0	0	113.5	R573 Y574 R851 N852	R573-E854 WeakPolarHBondContact CD-O 3.48Å; R573-E854 PolarHBondContact NH1-O 3.48Å; Y574-E854 WeakPolarHBondContact CE2-O 3.45Å; R851-E854 PolarHBondContact O-N 2.86Å; N852-E854 PolarHBondContact O-N 2.97Å
855	A	91.8	Very high	92.6	Very high	45 Å²	45	49.2 Å²	49.2	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-116	-18.1	-168.4	0	0	0	0	0	115.8	R851 N852 E857	R851-A855 PolarHBondContact O-N 3.18Å; N852-A855 PolarHBondContact O-N 2.81Å; A855-E857 HydrophobicContact CB-CG 3.91Å
856	G	92.4	Very high	93.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.			trans	62	41.5	-178.9	0	0	0	0	0	113.7	N852 K924	N852-G856 WeakPolarHBondContact O-CA 3.2Å; N852-G856 PolarHBondContact O-N 3.4Å; N852-G856 VanDerWaalsContact OD1-C 3.25Å; N852-G856 VanDerWaalsContact OD1-CA 3.32Å; N852-G856 WeakPolarHBondContact OD1-CA 3.48Å; G856-K924 VanDerWaalsContact O-CD 3.27Å; G856-K924 WeakPolarHBondContact O-CD 3.36Å; G856-K924 WeakPolarHBondContact O-CE 3.46Å; G856-K924 PolarHBondContact O-NZ 3.28Å
857	E	90.6	Very high	93.7	Very high	123 Å²	123	42.7 Å²	42.7	58%	0.575	22%	0.222	S	C	*	.			trans	-71.9	-26	-177.2	-64.1	-177	152.7	0	0	113.6	R851 N852 A855	R851-E857 IonicContact NH1-OE2 3.72Å; R851-E857 PolarHBondContact NH1-OE2 2.85Å; N852-E857 PolarHBondContact OD1-N 2.84Å; A855-E857 HydrophobicContact CB-CG 3.91Å
858	L	92.3	Very high	94.1	Very high	53 Å²	53	38.9 Å²	38.9	28%	0.277	20%	0.204	S	C	.	.	S	Bend	trans	-78.1	150.4	-177.7	-60.7	175.5	0	0	0	111.8	T576 L578 N852 S861	T576-L858 HydrophobicContact CG2-CD1 3.91Å; L578-L858 HydrophobicContact CD2-CB 4.24Å; L578-L858 HydrophobicContact CD2-CD2 4.31Å; N852-L858 HydrophobicContact CB-CD1 3.76Å; N852-L858 HydrophobicContact CB-CG 3.99Å; N852-L858 WeakPolarHBondContact OD1-CB 3.42Å; N852-L858 WeakPolarHBondContact OD1-CG 3.21Å; N852-L858 PolarHBondContact OD1-N 3.17Å; L858-S861 VanDerWaalsContact O-CB 3.24Å; L858-S861 WeakPolarHBondContact O-CB 3.22Å; L858-S861 PolarHBondContact O-OG 2.76Å
859	A	90.7	Very high	94.4	Very high	60 Å²	60	36.5 Å²	36.5	50%	0.496	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	156.7	171.1	0	0	0	0	0	111.6	T576 L578 S861	T576-A859 PolarHBondContact OG1-O 2.97Å; L578-A859 HydrophobicContact CD1-CB 4.32Å; A859-S861 PolarHBondContact O-N 2.97Å; A859-S861 VanDerWaalsContact O-N 3.17Å
860	N	93.9	Very high	94.6	Very high	41 Å²	41	35 Å²	35	22%	0.219	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	35.9	-175.7	-54.3	-20.8	0	0	0	112.7	L542 L577 C581 Y862	L542-N860 HydrophobicContact CD1-CB 4.09Å; L577-N860 HydrophobicContact CB-CB 4.4Å; L577-N860 PolarHBondContact N-O 3.14Å; C581-N860 PolarHBondContact SG-ND2 2.93Å; N860-Y862 WeakPolarHBondContact O-CD2 3.24Å
861	S	96.8	Very high	94.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	143.5	174.1	-73.7	0	0	0	0	111.7	L575 N852 L858 A859 K924	L575-S861 CarbonylContact O-C 3.43Å; L575-S861 WeakPolarHBondContact O-CA 3.46Å; N852-S861 PolarHBondContact ND2-OG 2.97Å; N852-S861 PolarHBondContact OD1-OG 3.15Å; L858-S861 VanDerWaalsContact O-CB 3.24Å; L858-S861 WeakPolarHBondContact O-CB 3.22Å; L858-S861 PolarHBondContact O-OG 2.76Å; A859-S861 PolarHBondContact O-N 2.97Å; A859-S861 VanDerWaalsContact O-N 3.17Å; S861-K924 WeakPolarHBondContact O-CB 3.36Å; S861-K924 PolarHBondContact O-N 3.18Å
862	Y	98.1	Very high	94.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128	179.6	-73.1	-110.7	0	0	0	110.8	L542 P543 L546 Y574 L575 L577 N860 Y921 M922 H923	L542-Y862 WeakPolarHBondContact CB-OH 3.2Å; P543-Y862 WeakPolarHBondContact CD-OH 3.4Å; P543-Y862 HydrophobicContact CG-CE1 4.27Å; P543-Y862 VanDerWaalsContact O-CE1 3.27Å; P543-Y862 WeakPolarHBondContact O-CE1 3.1Å; P543-Y862 PolarHBondContact O-OH 3.13Å; L546-Y862 HydrophobicContact CB-CD1 3.88Å; L546-Y862 HydrophobicContact CB-CE1 3.98Å; Y574-Y862 CarbonylContact C-O 3.57Å; Y574-Y862 WeakPolarHBondContact CA-O 3.07Å; L575-Y862 PolarHBondContact N-O 3.02Å; L575-Y862 PolarHBondContact O-N 2.78Å; L577-Y862 HydrophobicContact CD1-CD2 4.08Å; L577-Y862 HydrophobicContact CD1-CE2 3.53Å; L577-Y862 HydrophobicContact CG-CD2 4.15Å; L577-Y862 HydrophobicContact CG-CE2 4.01Å; N860-Y862 WeakPolarHBondContact O-CD2 3.24Å; Y862-Y921 WeakPolarHBondContact CD1-O 3.4Å; Y862-M922 CarbonylContact C-O 3.52Å; Y862-M922 VanDerWaalsContact CA-O 3.29Å; Y862-M922 WeakPolarHBondContact CA-O 3.22Å; Y862-H923 HydrophobicContact CD1-CB 4.11Å; Y862-H923 HydrophobicContact CE1-CB 3.73Å; Y862-H923 HydrophobicContact CE2-CB 4.48Å; Y862-H923 AromaticContact CE2-CD2 3.59Å; Y862-H923 AromaticContact CZ-CD2 3.58Å
863	R	97.6	Very high	93.6	Very high	10 Å²	10	35 Å²	35	4%	0.038	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.6	-178.7	-175.7	169.1	166	53.2	23.3	111.9	R573 Y574 I865 E905 Y921 M922 F927	R573-R863 VanDerWaalsContact NE-NH1 3.14Å; Y574-R863 HydrophobicContact CD1-CB 3.75Å; Y574-R863 HydrophobicContact CD1-CG 4.24Å; Y574-R863 HydrophobicContact CE1-CB 3.54Å; Y574-R863 HydrophobicContact CE1-CG 3.79Å; Y574-R863 PolarHBondContact OH-NH1 3.3Å; R863-I865 PolarHBondContact O-N 2.79Å; R863-E905 IonicContact CZ-OE1 3.74Å; R863-E905 IonicContact NH1-OE1 2.66Å; R863-E905 PolarHBondContact NH1-OE1 3.12Å; R863-E905 VanDerWaalsContact NH1-OE1 3.13Å; R863-E905 IonicContact NH2-OE1 3.67Å; R863-E905 PolarHBondContact NH2-OE1 3.46Å; R863-E905 IonicContact NH2-OE2 3.19Å; R863-Y921 CarbonylContact O-C 3.48Å; R863-Y921 VanDerWaalsContact O-CA 3.27Å; R863-Y921 WeakPolarHBondContact O-CA 3.48Å; R863-M922 PolarHBondContact N-O 2.98Å; R863-M922 PolarHBondContact O-N 3.02Å; R863-F927 HydrophobicContact CG-CD2 4.45Å
864	L	98.2	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	130	174	-175	71.5	0	0	0	111	I571 R573 V867 W892 Q909 F919 Y921	I571-L864 HydrophobicContact CG2-CD1 4.5Å; I571-L864 HydrophobicContact CG2-CD2 3.72Å; R573-L864 PolarHBondContact O-N 3.09Å; L864-V867 HydrophobicContact CD1-CG2 3.94Å; L864-V867 HydrophobicContact CD2-CG2 4.03Å; L864-V867 HydrophobicContact CG-CG2 4.35Å; L864-W892 HydrophobicContact CD2-CH2 4.15Å; L864-W892 HydrophobicContact CD2-CZ2 4.37Å; L864-W892 HydrophobicContact CG-CH2 4.02Å; L864-W892 HydrophobicContact CG-CZ2 4.35Å; L864-Q909 HydrophobicContact CD2-CG 4.43Å; L864-F919 HydrophobicContact CD1-CB 4.47Å; L864-F919 HydrophobicContact CD1-CD1 4.23Å; L864-Y921 HydrophobicContact CB-CD1 3.93Å; L864-Y921 HydrophobicContact CB-CE1 3.65Å; L864-Y921 HydrophobicContact CD1-CD1 4.14Å; L864-Y921 HydrophobicContact CD1-CD2 4.19Å; L864-Y921 HydrophobicContact CD1-CE1 3.73Å; L864-Y921 HydrophobicContact CD1-CE2 3.8Å; L864-Y921 HydrophobicContact CD1-CG 4.35Å; L864-Y921 HydrophobicContact CG-CE1 4.27Å
865	I	97.7	Very high	91.6	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	-19.1	179.9	56.3	157.8	0	0	0	115.2	L335 R863 Y885 F920 M922 F927	L335-I865 HydrophobicContact CD2-CD1 3.32Å; R863-I865 PolarHBondContact O-N 2.79Å; I865-Y885 PolarHBondContact O-N 2.91Å; I865-F920 HydrophobicContact CG1-CB 4.13Å; I865-F920 VanDerWaalsContact CG1-O 3.24Å; I865-F920 WeakPolarHBondContact CG1-O 3.43Å; I865-F920 PolarHBondContact N-O 3.49Å; I865-M922 HydrophobicContact CD1-CB 3.75Å; I865-M922 HydrophobicContact CD1-CE 3.95Å; I865-M922 HydrophobicContact CG1-CB 4.15Å; I865-M922 HydrophobicContact CG2-CB 4.18Å; I865-F927 HydrophobicContact CG2-CD2 3.77Å; I865-F927 HydrophobicContact CG2-CE2 3.84Å
866	S	98.4	Very high	90.5	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	148.5	168.9	-174.6	0	0	0	0	112.3	S331 S882 D883 F920	S331-S866 PolarHBondContact OG-OG 2.92Å; S866-S882 PolarHBondContact OG-OG 2.76Å; S866-D883 CarbonylContact C-O 3.53Å; S866-D883 WeakPolarHBondContact CA-O 3.4Å; S866-D883 PolarHBondContact OG-O 2.79Å; S866-F920 PolarHBondContact N-O 2.82Å; S866-F920 PolarHBondContact O-N 3.43Å
867	V	98.5	Very high	89.9	Confident	0 Å²	0	36 Å²	36	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	112	172.3	-172.6	0	0	0	0	109.5	L864 D883 V908 R912 F919	L864-V867 HydrophobicContact CD1-CG2 3.94Å; L864-V867 HydrophobicContact CD2-CG2 4.03Å; L864-V867 HydrophobicContact CG-CG2 4.35Å; V867-D883 PolarHBondContact N-O 2.85Å; V867-D883 PolarHBondContact O-N 3.18Å; V867-V908 HydrophobicContact CB-CG1 4.21Å; V867-V908 HydrophobicContact CG2-CG1 3.89Å; V867-R912 HydrophobicContact CG1-CB 4.19Å; V867-R912 HydrophobicContact CG1-CG 4.41Å; V867-F919 HydrophobicContact CB-CD1 4.39Å; V867-F919 HydrophobicContact CB-CE1 4.45Å; V867-F919 HydrophobicContact CG1-CD1 3.88Å; V867-F919 HydrophobicContact CG1-CE1 3.55Å; V867-F919 HydrophobicContact CG1-CZ 4.08Å; V867-F919 HydrophobicContact CG2-CD1 3.82Å; V867-F919 HydrophobicContact CG2-CE1 4.05Å
868	V	98.4	Very high	89.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.4	167.9	175.5	0	0	0	0	108.2	A327 I328 S331 A402 Y880 I881 Y917 I918 F920	A327-V868 HydrophobicContact CB-CG1 3.93Å; A327-V868 HydrophobicContact CB-CG2 4.49Å; I328-V868 HydrophobicContact CD1-CG1 4.47Å; I328-V868 HydrophobicContact CD1-CG2 4.25Å; S331-V868 WeakPolarHBondContact OG-CG2 3.24Å; A402-V868 HydrophobicContact CB-CG1 4.42Å; V868-Y880 HydrophobicContact CG1-CD1 4.12Å; V868-I881 WeakPolarHBondContact CA-O 3.34Å; V868-Y917 PolarHBondContact O-N 3.1Å; V868-I918 HydrophobicContact CB-CB 4.2Å; V868-I918 PolarHBondContact N-O 2.91Å; V868-I918 PolarHBondContact O-N 2.9Å; V868-I918 VanDerWaalsContact O-N 3.08Å; V868-F920 HydrophobicContact CG2-CE2 4.16Å
869	S	96.8	Very high	89.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.6	-170.9	-55.5	0	0	0	0	111.7	Y880 I881 R912 S915 G916	S869-Y880 WeakPolarHBondContact O-CA 3.49Å; S869-I881 PolarHBondContact N-O 2.89Å; S869-I881 PolarHBondContact O-N 2.9Å; S869-R912 VanDerWaalsContact OG-CD 3.28Å; S869-R912 WeakPolarHBondContact OG-CD 3.48Å; S869-R912 WeakPolarHBondContact OG-CG 3.46Å; S869-S915 CarbonylContact C-O 3.42Å; S869-S915 VanDerWaalsContact CA-O 3.26Å; S869-S915 WeakPolarHBondContact CA-O 3.42Å; S869-G916 WeakPolarHBondContact OG-CA 3.28Å
870	H	94.7	Very high	90.3	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.1	173.7	-170.2	-136.3	0	0	0	111.2	Y553 K564 S874 G878 H879 Y880 S915	Y553-H870 AromaticContact CZ-ND1 3.92Å; Y553-H870 PolarHBondContact OH-ND1 3.38Å; K564-H870 PolarHBondContact NZ-ND1 2.77Å; K564-H870 VanDerWaalsContact NZ-ND1 3.18Å; K564-H870 PolarHBondContact NZ-O 2.8Å; H870-S874 PolarHBondContact CE1-O 2.88Å; H870-G878 VanDerWaalsContact NE2-CA 3.26Å; H870-G878 WeakPolarHBondContact NE2-CA 3.29Å; H870-H879 PolarHBondContact CD2-O 2.84Å; H870-H879 PolarHBondContact NE2-N 2.88Å; H870-Y880 HydrophobicContact CB-CD1 3.98Å; H870-Y880 HydrophobicContact CB-CE1 3.53Å; H870-Y880 AromaticContact CD2-CD2 3.83Å; H870-Y880 AromaticContact CD2-CE1 3.85Å; H870-Y880 AromaticContact CD2-CE2 3.63Å; H870-Y880 AromaticContact CD2-CZ 3.62Å; H870-Y880 AromaticContact CG-CE1 3.85Å; H870-Y880 AromaticContact CG-CZ 3.8Å; H870-S915 PolarHBondContact N-O 3.35Å
871	I	92.1	Very high	90.4	Very high	87 Å²	87	27 Å²	27	45%	0.446	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	105.7	174.8	-57.3	177.3	0	0	0	108.2	G878 H879 I881	I871-G878 CarbonylContact O-C 3.49Å; I871-G878 VanDerWaalsContact O-CA 3.24Å; I871-G878 WeakPolarHBondContact O-CA 3.39Å; I871-H879 PolarHBondContact N-O 3.07Å; I871-H879 PolarHBondContact O-N 3.21Å; I871-I881 HydrophobicContact CD1-CD1 3.73Å; I871-I881 HydrophobicContact CD1-CG1 4.1Å; I871-I881 HydrophobicContact CD1-CG2 4.44Å
872	G	86.2	Confident	90.5	Very high	34 Å²	34	27 Å²	27	35%	0.351	18%	0.179	S	C	.	.	S	Bend	trans	163.8	161.3	-174.2	0	0	0	0	0	111.2	K564	K564-G872 VanDerWaalsContact CD-O 3.25Å; K564-G872 WeakPolarHBondContact CD-O 2.78Å; K564-G872 PolarHBondContact NZ-O 2.94Å
873	S	74.9	Confident	90.5	Very high	109 Å²	109	27 Å²	27	76%	0.762	18%	0.179	S	C	*	.	S	Bend	trans	-99.9	-13.5	-176.2	50.4	0	0	0	0	114.5
874	S	73.4	Confident	90.5	Very high	25 Å²	25	26.6 Å²	26.6	18%	0.175	18%	0.178	C	C	.	.	S	Bend	trans	-122.7	179.8	179.1	86.3	0	0	0	0	112	H870 S876 S877	H870-S874 PolarHBondContact CE1-O 2.88Å; S874-S876 PolarHBondContact OG-N 3.16Å; S874-S876 VanDerWaalsContact OG-N 3.14Å; S874-S876 PolarHBondContact OG-OG 2.85Å; S874-S877 PolarHBondContact OG-N 3.27Å; S874-S877 PolarHBondContact OG-O 3.05Å; S874-S877 PolarHBondContact OG-OG 2.74Å
875	S	69.7	Low	90.5	Very high	43 Å²	43	27.9 Å²	27.9	30%	0.301	18%	0.183	S	C	.	.	S	Bend	trans	-88.7	-18.4	169	58.6	0	0	0	0	113.8	N562	N562-S875 WeakPolarHBondContact CB-OG 3.41Å; N562-S875 PolarHBondContact ND2-OG 3.24Å; N562-S875 VanDerWaalsContact ND2-OG 3.13Å
876	S	69.1	Low	90.3	Very high	97 Å²	97	28.4 Å²	28.4	68%	0.678	19%	0.186	S	C	*	.	S	Bend	trans	-103.4	-4.5	-178.2	58.5	0	0	0	0	113.9	S874	S874-S876 PolarHBondContact OG-N 3.16Å; S874-S876 VanDerWaalsContact OG-N 3.14Å; S874-S876 PolarHBondContact OG-OG 2.85Å
877	S	80	Confident	89.9	Confident	61 Å²	61	29 Å²	29	43%	0.427	19%	0.189	S	C	.	.	S	Bend	trans	-147.5	124.7	176.9	63.5	0	0	0	0	113	S874	S874-S877 PolarHBondContact OG-N 3.27Å; S874-S877 PolarHBondContact OG-O 3.05Å; S874-S877 PolarHBondContact OG-OG 2.74Å
878	G	88.6	Confident	89.3	Confident	21 Å²	21	36 Å²	36	22%	0.216	22%	0.219	C	C	.	.			trans	171.7	-148.3	168.5	0	0	0	0	0	111.1	Q399 H870 I871	Q399-G878 PolarHBondContact NE2-O 3.35Å; Q399-G878 PolarHBondContact OE1-O 2.95Å; H870-G878 VanDerWaalsContact NE2-CA 3.26Å; H870-G878 WeakPolarHBondContact NE2-CA 3.29Å; I871-G878 CarbonylContact O-C 3.49Å; I871-G878 VanDerWaalsContact O-CA 3.24Å; I871-G878 WeakPolarHBondContact O-CA 3.39Å
879	H	95.2	Very high	88.8	Confident	49 Å²	49	39.7 Å²	39.7	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	137.7	-177	-174.3	56.5	0	0	0	111.5	C323 H870 I871 N896 D897	C323-H879 WeakPolarHBondContact CB-CE1 3.45Å; C323-H879 WeakPolarHBondContact CB-ND1 3.31Å; C323-H879 PolarHBondContact SG-ND1 3.43Å; H870-H879 PolarHBondContact CD2-O 2.84Å; H870-H879 PolarHBondContact NE2-N 2.88Å; I871-H879 PolarHBondContact N-O 3.07Å; I871-H879 PolarHBondContact O-N 3.21Å; H879-N896 PolarHBondContact CD2-OD1 3.16Å; H879-N896 PolarHBondContact NE2-OD1 3.41Å; H879-D897 IonicContact CE1-OD2 3.34Å; H879-D897 PolarHBondContact CE1-OD2 2.94Å
880	Y	97.4	Very high	88.5	Confident	10 Å²	10	44 Å²	44	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.6	179	-75.4	-81.5	0	0	0	111.4	D401 A402 Y553 V868 S869 H870 Y917	D401-Y880 PolarHBondContact OD2-OH 3.47Å; A402-Y880 HydrophobicContact CB-CD1 3.78Å; A402-Y880 HydrophobicContact CB-CE1 3.51Å; A402-Y880 HydrophobicContact CB-CE2 4.3Å; A402-Y880 HydrophobicContact CB-CG 4.3Å; Y553-Y880 PolarHBondContact OH-OH 3.37Å; V868-Y880 HydrophobicContact CG1-CD1 4.12Å; S869-Y880 WeakPolarHBondContact O-CA 3.49Å; H870-Y880 HydrophobicContact CB-CD1 3.98Å; H870-Y880 HydrophobicContact CB-CE1 3.53Å; H870-Y880 AromaticContact CD2-CD2 3.83Å; H870-Y880 AromaticContact CD2-CE1 3.85Å; H870-Y880 AromaticContact CD2-CE2 3.63Å; H870-Y880 AromaticContact CD2-CZ 3.62Å; H870-Y880 AromaticContact CG-CE1 3.85Å; H870-Y880 AromaticContact CG-CZ 3.8Å; Y880-Y917 AromaticContact CE1-CD1 3.84Å; Y880-Y917 HydrophobicContact CE1-CD1 3.84Å; Y880-Y917 HydrophobicContact CE1-CE1 4.33Å
881	I	97.8	Very high	88.5	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.046	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.5	170.7	62.8	166.3	0	0	0	110	V868 S869 I871 T894 Y895 N896	V868-I881 WeakPolarHBondContact CA-O 3.34Å; S869-I881 PolarHBondContact N-O 2.89Å; S869-I881 PolarHBondContact O-N 2.9Å; I871-I881 HydrophobicContact CD1-CD1 3.73Å; I871-I881 HydrophobicContact CD1-CG1 4.1Å; I871-I881 HydrophobicContact CD1-CG2 4.44Å; I881-T894 HydrophobicContact CD1-CG2 4.17Å; I881-Y895 WeakPolarHBondContact CA-O 3.39Å; I881-Y895 WeakPolarHBondContact CB-O 3.47Å; I881-N896 HydrophobicContact CG2-CB 4.09Å; I881-N896 WeakPolarHBondContact CG2-OD1 3.36Å
882	S	98.3	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118.4	174.8	-167.3	0	0	0	0	110.5	A327 S331 S866 V884 Y895	A327-S882 WeakPolarHBondContact O-CB 3.49Å; A327-S882 PolarHBondContact O-OG 3.41Å; S331-S882 PolarHBondContact OG-OG 3.06Å; S866-S882 PolarHBondContact OG-OG 2.76Å; S882-V884 WeakPolarHBondContact OG-CG2 3.31Å; S882-Y895 PolarHBondContact N-O 3.09Å; S882-Y895 PolarHBondContact O-N 3.4Å
883	D	98.5	Very high	89.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.6	165.8	-63.6	-81.3	0	0	0	108.7	S866 V867 W892 L893 T894 V908 R912	S866-D883 CarbonylContact C-O 3.53Å; S866-D883 WeakPolarHBondContact CA-O 3.4Å; S866-D883 PolarHBondContact OG-O 2.79Å; V867-D883 PolarHBondContact N-O 2.85Å; V867-D883 PolarHBondContact O-N 3.18Å; D883-W892 HydrophobicContact CB-CE3 4.27Å; D883-W892 HydrophobicContact CB-CZ3 4.26Å; D883-L893 CarbonylContact C-O 3.51Å; D883-L893 WeakPolarHBondContact CA-O 3.48Å; D883-T894 VanDerWaalsContact OD1-CB 3.31Å; D883-T894 WeakPolarHBondContact OD1-CB 3.48Å; D883-T894 VanDerWaalsContact OD1-CG2 3.31Å; D883-T894 WeakPolarHBondContact OD1-CG2 3.44Å; D883-T894 PolarHBondContact OD1-OG1 3.09Å; D883-V908 HydrophobicContact CB-CB 4.4Å; D883-V908 HydrophobicContact CB-CG1 3.63Å; D883-V908 HydrophobicContact CB-CG2 3.8Å; D883-R912 VanDerWaalsContact CG-NH2 3.35Å; D883-R912 IonicContact OD1-CZ 3.7Å; D883-R912 IonicContact OD1-NH2 2.98Å; D883-R912 PolarHBondContact OD1-NH2 2.82Å; D883-R912 IonicContact OD2-CZ 2.78Å; D883-R912 VanDerWaalsContact OD2-CZ 3.24Å; D883-R912 IonicContact OD2-NE 3.74Å; D883-R912 PolarHBondContact OD2-NE 3.32Å; D883-R912 IonicContact OD2-NH2 3.32Å; D883-R912 PolarHBondContact OD2-NH2 2.7Å
884	V	97.7	Very high	90.4	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135	-167.4	168.1	0	0	0	0	110.4	S882 D886 W892 L893 Y895	S882-V884 WeakPolarHBondContact OG-CG2 3.31Å; V884-D886 PolarHBondContact O-N 3.2Å; V884-W892 VanDerWaalsContact C-CE3 3.4Å; V884-W892 CarbonylContact O-C 3.58Å; V884-W892 WeakPolarHBondContact O-CA 3.39Å; V884-L893 PolarHBondContact N-O 2.84Å; V884-L893 PolarHBondContact O-N 2.78Å; V884-Y895 HydrophobicContact CB-CD2 4.08Å; V884-Y895 HydrophobicContact CB-CE2 3.87Å; V884-Y895 HydrophobicContact CG1-CE2 4.23Å; V884-Y895 HydrophobicContact CG2-CD2 3.93Å; V884-Y895 HydrophobicContact CG2-CE2 4.08Å
885	Y	96.9	Very high	91.5	Very high	28 Å²	28	34.6 Å²	34.6	11%	0.11	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	107.8	168.4	-174	-103.2	0	0	0	111.1	I865 M887 Q890 W892 F927	I865-Y885 PolarHBondContact O-N 2.91Å; Y885-M887 HydrophobicContact CE1-SD 3.94Å; Y885-M887 PolarHBondContact O-N 2.83Å; Y885-Q890 WeakPolarHBondContact OH-CA 3.48Å; Y885-Q890 PolarHBondContact OH-NE2 3.16Å; Y885-Q890 PolarHBondContact OH-OE1 2.8Å; Y885-W892 AromaticContact CD2-CD1 3.61Å; Y885-W892 HydrophobicContact CD2-CD2 4.37Å; Y885-W892 HydrophobicContact CD2-CG 4.11Å; Y885-W892 AromaticContact CD2-NE1 3.53Å; Y885-F927 AromaticContact CD1-CE2 3.82Å; Y885-F927 HydrophobicContact CD1-CE2 3.82Å; Y885-F927 HydrophobicContact CD1-CZ 4.09Å; Y885-F927 AromaticContact CE1-CE2 3.8Å; Y885-F927 HydrophobicContact CE1-CE2 3.8Å; Y885-F927 AromaticContact CE1-CZ 3.59Å; Y885-F927 HydrophobicContact CE1-CZ 3.59Å
886	D	93.1	Very high	92.8	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.107	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	108	174.4	-174.8	-40.8	0	0	0	109.9	V884 K888 K889 Q890 S891 L893	V884-D886 PolarHBondContact O-N 3.2Å; D886-K888 VanDerWaalsContact C-N 3.32Å; D886-K888 PolarHBondContact O-N 2.82Å; D886-K888 WeakPolarHBondContact OD1-CA 3.23Å; D886-K888 WeakPolarHBondContact OD1-CB 3.36Å; D886-K888 PolarHBondContact OD1-N 3.44Å; D886-K889 HydrophobicContact CB-CB 4.1Å; D886-K889 HydrophobicContact CB-CG 4.46Å; D886-K889 CarbonylContact O-C 3.51Å; D886-K889 PolarHBondContact O-N 3.11Å; D886-K889 PolarHBondContact OD1-N 3.35Å; D886-K889 WeakPolarHBondContact OD2-CD 3.31Å; D886-K889 WeakPolarHBondContact OD2-CG 3.28Å; D886-K889 IonicContact OD2-NZ 2.64Å; D886-K889 PolarHBondContact OD2-NZ 2.81Å; D886-Q890 WeakPolarHBondContact O-CA 3.42Å; D886-Q890 PolarHBondContact O-N 2.85Å; D886-S891 WeakPolarHBondContact CB-O 3.46Å; D886-S891 PolarHBondContact N-O 3.31Å; D886-S891 PolarHBondContact O-N 2.9Å; D886-L893 HydrophobicContact CB-CD1 3.84Å; D886-L893 HydrophobicContact CB-CG 4.2Å
887	M	90	Very high	94	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.054	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.9	-179.2	-168.5	69.8	93.2	0	0	112.7	P336 Y885 Q890 F927 L930 S931 E934	P336-M887 HydrophobicContact CG-CB 4.2Å; Y885-M887 HydrophobicContact CE1-SD 3.94Å; Y885-M887 PolarHBondContact O-N 2.83Å; M887-Q890 PolarHBondContact O-N 3.41Å; M887-Q890 PolarHBondContact O-NE2 2.92Å; M887-F927 HydrophobicContact CE-CD1 4.38Å; M887-F927 HydrophobicContact CE-CD2 3.55Å; M887-F927 HydrophobicContact CE-CE1 4.33Å; M887-F927 HydrophobicContact CE-CE2 3.5Å; M887-F927 VanDerWaalsContact CE-CE2 3.5Å; M887-F927 HydrophobicContact CE-CG 4Å; M887-F927 HydrophobicContact CE-CZ 3.89Å; M887-F927 WeakPolarHBondContact CE-O 3.32Å; M887-F927 HydrophobicContact SD-CE2 4.05Å; M887-F927 HydrophobicContact SD-CZ 3.97Å; M887-L930 HydrophobicContact CE-CB 3.98Å; M887-S931 PolarHBondContact SD-OG 3.32Å; M887-E934 HydrophobicContact CG-CG 3.96Å
888	K	87.1	Confident	94.7	Very high	149 Å²	149	33.2 Å²	33.2	65%	0.648	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-40.4	-178.5	-52.4	-164.3	170.3	-76.1	0	111.3	D886 E934	D886-K888 VanDerWaalsContact C-N 3.32Å; D886-K888 PolarHBondContact O-N 2.82Å; D886-K888 WeakPolarHBondContact OD1-CA 3.23Å; D886-K888 WeakPolarHBondContact OD1-CB 3.36Å; D886-K888 PolarHBondContact OD1-N 3.44Å; K888-E934 WeakPolarHBondContact CG-OE2 3.44Å; K888-E934 VanDerWaalsContact NZ-CD 3.33Å; K888-E934 IonicContact NZ-OE1 2.63Å; K888-E934 PolarHBondContact NZ-OE1 2.81Å; K888-E934 IonicContact NZ-OE2 3.34Å; K888-E934 PolarHBondContact NZ-OE2 3.18Å; K888-E934 VanDerWaalsContact NZ-OE2 3.12Å
889	K	87.8	Confident	94.9	Very high	76 Å²	76	37.6 Å²	37.6	33%	0.33	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.5	178.6	-57	-175.1	-171	86.3	0	113	L313 D886 S891	L313-K889 HydrophobicContact CD2-CD 4.13Å; D886-K889 HydrophobicContact CB-CB 4.1Å; D886-K889 HydrophobicContact CB-CG 4.46Å; D886-K889 CarbonylContact O-C 3.51Å; D886-K889 PolarHBondContact O-N 3.11Å; D886-K889 PolarHBondContact OD1-N 3.35Å; D886-K889 WeakPolarHBondContact OD2-CD 3.31Å; D886-K889 WeakPolarHBondContact OD2-CG 3.28Å; D886-K889 IonicContact OD2-NZ 2.64Å; D886-K889 PolarHBondContact OD2-NZ 2.81Å; K889-S891 PolarHBondContact O-N 2.8Å; K889-S891 VanDerWaalsContact O-N 3.16Å
890	Q	90.7	Very high	94.9	Very high	90 Å²	90	36.5 Å²	36.5	42%	0.421	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	35.7	-174	-67.9	-78.4	-70	0	0	113.1	Y885 D886 M887	Y885-Q890 WeakPolarHBondContact OH-CA 3.48Å; Y885-Q890 PolarHBondContact OH-NE2 3.16Å; Y885-Q890 PolarHBondContact OH-OE1 2.8Å; D886-Q890 WeakPolarHBondContact O-CA 3.42Å; D886-Q890 PolarHBondContact O-N 2.85Å; M887-Q890 PolarHBondContact O-N 3.41Å; M887-Q890 PolarHBondContact O-NE2 2.92Å
891	S	94.1	Very high	94.8	Very high	22 Å²	22	39 Å²	39	15%	0.154	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	143.4	-168.3	71.4	0	0	0	0	113.3	D886 K889 R902	D886-S891 WeakPolarHBondContact CB-O 3.46Å; D886-S891 PolarHBondContact N-O 3.31Å; D886-S891 PolarHBondContact O-N 2.9Å; K889-S891 PolarHBondContact O-N 2.8Å; K889-S891 VanDerWaalsContact O-N 3.16Å; S891-R902 PolarHBondContact OG-NH1 2.97Å
892	W	97.4	Very high	94.7	Very high	8 Å²	8	44.7 Å²	44.7	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	137.1	171.1	-76.9	89.2	0	0	0	112.2	L864 D883 V884 Y885 T903 E905 V908	L864-W892 HydrophobicContact CD2-CH2 4.15Å; L864-W892 HydrophobicContact CD2-CZ2 4.37Å; L864-W892 HydrophobicContact CG-CH2 4.02Å; L864-W892 HydrophobicContact CG-CZ2 4.35Å; D883-W892 HydrophobicContact CB-CE3 4.27Å; D883-W892 HydrophobicContact CB-CZ3 4.26Å; V884-W892 VanDerWaalsContact C-CE3 3.4Å; V884-W892 CarbonylContact O-C 3.58Å; V884-W892 WeakPolarHBondContact O-CA 3.39Å; Y885-W892 AromaticContact CD2-CD1 3.61Å; Y885-W892 HydrophobicContact CD2-CD2 4.37Å; Y885-W892 HydrophobicContact CD2-CG 4.11Å; Y885-W892 AromaticContact CD2-NE1 3.53Å; W892-T903 HydrophobicContact CB-CG2 3.63Å; W892-T903 PolarHBondContact O-N 3.35Å; W892-E905 HydrophobicContact CZ2-CG 4.36Å; W892-V908 HydrophobicContact CD2-CG2 4.32Å; W892-V908 HydrophobicContact CE3-CG1 4.47Å; W892-V908 HydrophobicContact CE3-CG2 3.96Å; W892-V908 HydrophobicContact CZ3-CG1 4.23Å
893	L	97.1	Very high	94.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.9	177.6	-57.4	-179.5	0	0	0	109.6	L313 D883 V884 D886 Y895 V900 S901 R902	L313-L893 HydrophobicContact CD1-CD2 3.98Å; L313-L893 HydrophobicContact CD2-CD1 4.28Å; L313-L893 HydrophobicContact CD2-CD2 4.33Å; D883-L893 CarbonylContact C-O 3.51Å; D883-L893 WeakPolarHBondContact CA-O 3.48Å; V884-L893 PolarHBondContact N-O 2.84Å; V884-L893 PolarHBondContact O-N 2.78Å; D886-L893 HydrophobicContact CB-CD1 3.84Å; D886-L893 HydrophobicContact CB-CG 4.2Å; L893-Y895 HydrophobicContact CB-CD2 4.31Å; L893-Y895 HydrophobicContact CB-CE2 3.78Å; L893-Y895 HydrophobicContact CD1-CE2 4.17Å; L893-Y895 WeakPolarHBondContact CD1-OH 3.45Å; L893-V900 HydrophobicContact CB-CG1 4.28Å; L893-S901 CarbonylContact C-O 3.57Å; L893-S901 VanDerWaalsContact CA-O 3.26Å; L893-S901 WeakPolarHBondContact CA-O 3.49Å; L893-R902 HydrophobicContact CD2-CB 4.48Å; L893-R902 HydrophobicContact CD2-CG 3.75Å
894	T	97.8	Very high	94.5	Very high	15 Å²	15	53.4 Å²	53.4	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.6	170	-54.3	0	0	0	0	108.7	I881 D883 V900 S901 T903	I881-T894 HydrophobicContact CD1-CG2 4.17Å; D883-T894 VanDerWaalsContact OD1-CB 3.31Å; D883-T894 WeakPolarHBondContact OD1-CB 3.48Å; D883-T894 VanDerWaalsContact OD1-CG2 3.31Å; D883-T894 WeakPolarHBondContact OD1-CG2 3.44Å; D883-T894 PolarHBondContact OD1-OG1 3.09Å; T894-V900 WeakPolarHBondContact O-CA 3.46Å; T894-S901 PolarHBondContact N-O 2.73Å; T894-S901 PolarHBondContact O-N 3.37Å; T894-S901 VanDerWaalsContact O-N 3.08Å; T894-T903 WeakPolarHBondContact OG1-CG2 3.48Å
895	Y	97.3	Very high	94.4	Very high	16 Å²	16	54.9 Å²	54.9	6%	0.063	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.2	174.8	-68.4	-92	0	0	0	110.5	Q330 I881 S882 V884 L893 V900	Q330-Y895 HydrophobicContact CB-CD1 4.36Å; Q330-Y895 HydrophobicContact CB-CD2 4.21Å; Q330-Y895 HydrophobicContact CB-CG 4.02Å; Q330-Y895 HydrophobicContact CG-CD1 3.77Å; Q330-Y895 HydrophobicContact CG-CD2 4.49Å; Q330-Y895 HydrophobicContact CG-CE1 4.38Å; Q330-Y895 HydrophobicContact CG-CG 3.84Å; Q330-Y895 VanDerWaalsContact NE2-CD1 3.32Å; I881-Y895 WeakPolarHBondContact CA-O 3.39Å; I881-Y895 WeakPolarHBondContact CB-O 3.47Å; S882-Y895 PolarHBondContact N-O 3.09Å; S882-Y895 PolarHBondContact O-N 3.4Å; V884-Y895 HydrophobicContact CB-CD2 4.08Å; V884-Y895 HydrophobicContact CB-CE2 3.87Å; V884-Y895 HydrophobicContact CG1-CE2 4.23Å; V884-Y895 HydrophobicContact CG2-CD2 3.93Å; V884-Y895 HydrophobicContact CG2-CE2 4.08Å; L893-Y895 HydrophobicContact CB-CD2 4.31Å; L893-Y895 HydrophobicContact CB-CE2 3.78Å; L893-Y895 HydrophobicContact CD1-CE2 4.17Å; L893-Y895 WeakPolarHBondContact CD1-OH 3.45Å; Y895-V900 HydrophobicContact CD1-CB 4.24Å; Y895-V900 HydrophobicContact CD1-CG1 3.77Å; Y895-V900 HydrophobicContact CD1-CG2 3.41Å; Y895-V900 VanDerWaalsContact CD1-CG2 3.41Å; Y895-V900 HydrophobicContact CE1-CB 4.36Å; Y895-V900 HydrophobicContact CE1-CG1 3.65Å; Y895-V900 HydrophobicContact CE1-CG2 3.7Å; Y895-V900 HydrophobicContact CE2-CG1 4.44Å; Y895-V900 HydrophobicContact CG-CG1 4.22Å; Y895-V900 HydrophobicContact CG-CG2 4.32Å
896	N	96.4	Very high	94.3	Very high	55 Å²	55	56 Å²	56	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	80.4	179.3	175.4	47.5	0	0	0	109.5	H879 I881 L898 D899	H879-N896 PolarHBondContact CD2-OD1 3.16Å; H879-N896 PolarHBondContact NE2-OD1 3.41Å; I881-N896 HydrophobicContact CG2-CB 4.09Å; I881-N896 WeakPolarHBondContact CG2-OD1 3.36Å; N896-L898 PolarHBondContact O-N 2.86Å; N896-D899 HydrophobicContact CB-CB 4.26Å; N896-D899 PolarHBondContact N-O 2.99Å; N896-D899 PolarHBondContact O-N 2.97Å
897	D	95.5	Very high	94.5	Very high	25 Å²	25	56 Å²	56	13%	0.134	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	-105.6	-164.1	-73.2	-43.7	0	0	0	111.7	G315 F316 N318 N326 H879	G315-D897 CarbonylContact C-O 3.59Å; G315-D897 WeakPolarHBondContact CA-O 3.07Å; F316-D897 PolarHBondContact N-O 2.92Å; F316-D897 CarbonylContact O-C 3.5Å; F316-D897 WeakPolarHBondContact O-CA 3.14Å; N318-D897 HydrophobicContact CB-CB 4.34Å; N318-D897 WeakPolarHBondContact CB-OD2 3.26Å; N318-D897 PolarHBondContact ND2-OD2 3.12Å; N326-D897 PolarHBondContact ND2-OD1 3.16Å; H879-D897 IonicContact CE1-OD2 3.34Å; H879-D897 PolarHBondContact CE1-OD2 2.94Å
898	L	93.1	Very high	94.8	Very high	92 Å²	92	55.5 Å²	55.5	48%	0.482	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-30.8	179.4	-75.5	172	0	0	0	113.2	G315 F316 N896	G315-L898 PolarHBondContact N-O 3.23Å; F316-L898 PolarHBondContact O-N 2.86Å; N896-L898 PolarHBondContact O-N 2.86Å
899	D	93.3	Very high	95.1	Very high	113 Å²	113	50.7 Å²	50.7	60%	0.604	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.3	-175.5	-62.5	-41.4	0	0	0	109.4	N896	N896-D899 HydrophobicContact CB-CB 4.26Å; N896-D899 PolarHBondContact N-O 2.99Å; N896-D899 PolarHBondContact O-N 2.97Å
900	V	95.1	Very high	95.4	Very high	25 Å²	25	54.9 Å²	54.9	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.2	178.4	-169.7	0	0	0	0	109.8	L313 L893 T894 Y895	L313-V900 HydrophobicContact CB-CB 3.71Å; L313-V900 HydrophobicContact CB-CG1 3.8Å; L313-V900 HydrophobicContact CD1-CG1 4.24Å; L893-V900 HydrophobicContact CB-CG1 4.28Å; T894-V900 WeakPolarHBondContact O-CA 3.46Å; Y895-V900 HydrophobicContact CD1-CB 4.24Å; Y895-V900 HydrophobicContact CD1-CG1 3.77Å; Y895-V900 HydrophobicContact CD1-CG2 3.41Å; Y895-V900 VanDerWaalsContact CD1-CG2 3.41Å; Y895-V900 HydrophobicContact CE1-CB 4.36Å; Y895-V900 HydrophobicContact CE1-CG1 3.65Å; Y895-V900 HydrophobicContact CE1-CG2 3.7Å; Y895-V900 HydrophobicContact CE2-CG1 4.44Å; Y895-V900 HydrophobicContact CG-CG1 4.22Å; Y895-V900 HydrophobicContact CG-CG2 4.32Å
901	S	95.3	Very high	95.6	Very high	63 Å²	63	54.7 Å²	54.7	44%	0.441	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	160.2	177.9	64.3	0	0	0	0	111.3	L893 T894	L893-S901 CarbonylContact C-O 3.57Å; L893-S901 VanDerWaalsContact CA-O 3.26Å; L893-S901 WeakPolarHBondContact CA-O 3.49Å; T894-S901 PolarHBondContact N-O 2.73Å; T894-S901 PolarHBondContact O-N 3.37Å; T894-S901 VanDerWaalsContact O-N 3.08Å
902	R	96.1	Very high	95.6	Very high	128 Å²	128	55 Å²	55	48%	0.483	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.9	167.5	-65.9	-177.2	179.9	-100.2	10.2	109.1	L313 S891 L893	L313-R902 HydrophobicContact CD1-CG 4.07Å; S891-R902 PolarHBondContact OG-NH1 2.97Å; L893-R902 HydrophobicContact CD2-CB 4.48Å; L893-R902 HydrophobicContact CD2-CG 3.75Å
903	T	96.3	Very high	95.4	Very high	35 Å²	35	55.9 Å²	55.9	22%	0.215	28%	0.283	C	S	.	.			trans	-133.6	-179.8	177.6	-168.8	0	0	0	0	110.7	W892 T894 V908	W892-T903 HydrophobicContact CB-CG2 3.63Å; W892-T903 PolarHBondContact O-N 3.35Å; T894-T903 WeakPolarHBondContact OG1-CG2 3.48Å; T903-V908 HydrophobicContact CG2-CG2 3.52Å
904	Q	96.3	Very high	95.1	Very high	149 Å²	149	61.8 Å²	61.8	70%	0.696	31%	0.306	S	S	*	.			trans	-115.5	147.6	176.8	-64.7	-176.4	0.5	0	0	110.5	A906 A907 V908	Q904-A906 VanDerWaalsContact C-N 3.34Å; Q904-A906 PolarHBondContact O-N 3.27Å; Q904-A907 HydrophobicContact CB-CB 4.3Å; Q904-A907 WeakPolarHBondContact O-CA 3.29Å; Q904-A907 WeakPolarHBondContact O-CB 3.34Å; Q904-A907 PolarHBondContact O-N 3.1Å; Q904-V908 PolarHBondContact O-N 3.5Å
905	E	95.6	Very high	94.9	Very high	32 Å²	32	62 Å²	62	15%	0.15	31%	0.308	C	S	.	.	H	α-helix	trans	-52.4	-49.6	179.9	-166.4	164.8	-157.7	0	0	112	R573 R863 W892 A907 V908 Q909	R573-E905 HydrophobicContact CG-CG 4.48Å; R573-E905 VanDerWaalsContact CG-OE1 3.23Å; R573-E905 WeakPolarHBondContact CG-OE1 3.13Å; R573-E905 IonicContact CZ-OE1 2.69Å; R573-E905 IonicContact CZ-OE2 2.71Å; R573-E905 IonicContact NE-OE1 3.47Å; R573-E905 PolarHBondContact NE-OE1 3.14Å; R573-E905 IonicContact NE-OE2 2.8Å; R573-E905 PolarHBondContact NE-OE2 2.85Å; R573-E905 IonicContact NH2-OE1 3.73Å; R573-E905 IonicContact NH2-OE2 2.69Å; R573-E905 PolarHBondContact NH2-OE2 2.92Å; R863-E905 IonicContact CZ-OE1 3.74Å; R863-E905 IonicContact NH1-OE1 2.66Å; R863-E905 PolarHBondContact NH1-OE1 3.12Å; R863-E905 VanDerWaalsContact NH1-OE1 3.13Å; R863-E905 IonicContact NH2-OE1 3.67Å; R863-E905 PolarHBondContact NH2-OE1 3.46Å; R863-E905 IonicContact NH2-OE2 3.19Å; W892-E905 HydrophobicContact CZ2-CG 4.36Å; E905-A907 PolarHBondContact O-N 3.48Å; E905-V908 PolarHBondContact O-N 2.68Å; E905-V908 VanDerWaalsContact O-N 3.15Å; E905-Q909 WeakPolarHBondContact O-CG 3.48Å; E905-Q909 PolarHBondContact O-N 2.94Å
906	A	95.3	Very high	94.7	Very high	53 Å²	53	61.3 Å²	61.3	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-69.2	-13.8	177.2	0	0	0	0	0	114.9	Q904 R910	Q904-A906 VanDerWaalsContact C-N 3.34Å; Q904-A906 PolarHBondContact O-N 3.27Å; A906-R910 WeakPolarHBondContact O-CB 3.32Å
907	A	96.2	Very high	94.7	Very high	19 Å²	19	59 Å²	59	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-83.9	-43.2	169.2	0	0	0	0	0	110.4	Q904 E905 Q909 R910 D911	Q904-A907 HydrophobicContact CB-CB 4.3Å; Q904-A907 WeakPolarHBondContact O-CA 3.29Å; Q904-A907 WeakPolarHBondContact O-CB 3.34Å; Q904-A907 PolarHBondContact O-N 3.1Å; E905-A907 PolarHBondContact O-N 3.48Å; A907-Q909 PolarHBondContact O-N 3.31Å; A907-R910 PolarHBondContact O-N 3.45Å; A907-R910 VanDerWaalsContact O-N 3.17Å; A907-D911 VanDerWaalsContact O-CB 3.31Å; A907-D911 WeakPolarHBondContact O-CB 3.26Å; A907-D911 PolarHBondContact O-N 2.81Å
908	V	96.3	Very high	94.8	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-46.7	174	179.6	0	0	0	0	111.2	V867 D883 W892 T903 Q904 E905 R910 R912	V867-V908 HydrophobicContact CB-CG1 4.21Å; V867-V908 HydrophobicContact CG2-CG1 3.89Å; D883-V908 HydrophobicContact CB-CB 4.4Å; D883-V908 HydrophobicContact CB-CG1 3.63Å; D883-V908 HydrophobicContact CB-CG2 3.8Å; W892-V908 HydrophobicContact CD2-CG2 4.32Å; W892-V908 HydrophobicContact CE3-CG1 4.47Å; W892-V908 HydrophobicContact CE3-CG2 3.96Å; W892-V908 HydrophobicContact CZ3-CG1 4.23Å; T903-V908 HydrophobicContact CG2-CG2 3.52Å; Q904-V908 PolarHBondContact O-N 3.5Å; E905-V908 PolarHBondContact O-N 2.68Å; E905-V908 VanDerWaalsContact O-N 3.15Å; V908-R910 PolarHBondContact O-N 3.04Å; V908-R912 HydrophobicContact CG1-CG 4.22Å; V908-R912 VanDerWaalsContact O-CB 3.3Å; V908-R912 WeakPolarHBondContact O-CB 3.2Å; V908-R912 VanDerWaalsContact O-CG 3.3Å; V908-R912 WeakPolarHBondContact O-CG 3.38Å; V908-R912 PolarHBondContact O-N 3.08Å
909	Q	94.9	Very high	95.1	Very high	48 Å²	48	53.4 Å²	53.4	22%	0.224	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-26.7	178.7	-67.8	174.6	-83.6	0	0	113.7	I571 L864 E905 A907	I571-Q909 HydrophobicContact CB-CB 4.39Å; I571-Q909 HydrophobicContact CB-CG 4.43Å; I571-Q909 HydrophobicContact CG2-CG 4.35Å; I571-Q909 PolarHBondContact O-NE2 2.99Å; L864-Q909 HydrophobicContact CD2-CG 4.43Å; E905-Q909 WeakPolarHBondContact O-CG 3.48Å; E905-Q909 PolarHBondContact O-N 2.94Å; A907-Q909 PolarHBondContact O-N 3.31Å
910	R	93.9	Very high	95.3	Very high	164 Å²	164	48 Å²	48	62%	0.619	23%	0.234	S	C	*	.	H	α-helix	trans	-89.6	-55	-180	-174.1	-168.6	-56	149.3	5.5	111.4	A906 A907 V908 R912 D913	A906-R910 WeakPolarHBondContact O-CB 3.32Å; A907-R910 PolarHBondContact O-N 3.45Å; A907-R910 VanDerWaalsContact O-N 3.17Å; V908-R910 PolarHBondContact O-N 3.04Å; R910-R912 PolarHBondContact O-N 3.38Å; R910-R912 VanDerWaalsContact O-N 3.17Å; R910-D913 PolarHBondContact O-N 2.92Å
911	D	94.6	Very high	95.5	Very high	85 Å²	85	46.9 Å²	46.9	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-73.8	-9.8	-170.3	-58.2	-6.5	0	0	0	112.7	A907	A907-D911 VanDerWaalsContact O-CB 3.31Å; A907-D911 WeakPolarHBondContact O-CB 3.26Å; A907-D911 PolarHBondContact O-N 2.81Å
912	R	94.6	Very high	95.6	Very high	30 Å²	30	44 Å²	44	11%	0.113	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	3.3	177.6	-50.5	-51.4	-178.6	-106.9	-16.7	114.7	I571 V867 S869 D883 V908 R910 R914 S915 G916	I571-R912 HydrophobicContact CD1-CB 3.85Å; V867-R912 HydrophobicContact CG1-CB 4.19Å; V867-R912 HydrophobicContact CG1-CG 4.41Å; S869-R912 VanDerWaalsContact OG-CD 3.28Å; S869-R912 WeakPolarHBondContact OG-CD 3.48Å; S869-R912 WeakPolarHBondContact OG-CG 3.46Å; D883-R912 VanDerWaalsContact CG-NH2 3.35Å; D883-R912 IonicContact OD1-CZ 3.7Å; D883-R912 IonicContact OD1-NH2 2.98Å; D883-R912 PolarHBondContact OD1-NH2 2.82Å; D883-R912 IonicContact OD2-CZ 2.78Å; D883-R912 VanDerWaalsContact OD2-CZ 3.24Å; D883-R912 IonicContact OD2-NE 3.74Å; D883-R912 PolarHBondContact OD2-NE 3.32Å; D883-R912 IonicContact OD2-NH2 3.32Å; D883-R912 PolarHBondContact OD2-NH2 2.7Å; V908-R912 HydrophobicContact CG1-CG 4.22Å; V908-R912 VanDerWaalsContact O-CB 3.3Å; V908-R912 WeakPolarHBondContact O-CB 3.2Å; V908-R912 VanDerWaalsContact O-CG 3.3Å; V908-R912 WeakPolarHBondContact O-CG 3.38Å; V908-R912 PolarHBondContact O-N 3.08Å; R910-R912 PolarHBondContact O-N 3.38Å; R910-R912 VanDerWaalsContact O-N 3.17Å; R912-R914 PolarHBondContact O-N 3.34Å; R912-S915 WeakPolarHBondContact CA-OG 3.45Å; R912-S915 PolarHBondContact O-N 3.02Å; R912-S915 VanDerWaalsContact O-N 3.11Å; R912-G916 WeakPolarHBondContact O-CA 3.44Å; R912-G916 PolarHBondContact O-N 3.33Å
913	D	91.9	Very high	95.7	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.134	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.7	-177.6	64.4	7.4	0	0	0	114.7	R552 Q568 V569 R910	R552-D913 PolarHBondContact NH2-O 2.64Å; Q568-D913 HydrophobicContact CG-CB 3.9Å; Q568-D913 VanDerWaalsContact CG-OD2 3.25Å; Q568-D913 WeakPolarHBondContact CG-OD2 3.44Å; Q568-D913 PolarHBondContact NE2-OD2 3.38Å; V569-D913 PolarHBondContact N-O 3.01Å; V569-D913 WeakPolarHBondContact O-CB 3.42Å; R910-D913 PolarHBondContact O-N 2.92Å
914	R	91.3	Very high	95.6	Very high	125 Å²	125	38.7 Å²	38.7	47%	0.472	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-13.5	178.7	-68.8	161.6	-176.7	-88.7	3.8	114.8	R552 G566 Q568 R912	R552-R914 PolarHBondContact NH1-O 2.94Å; G566-R914 PolarHBondContact O-NH1 3.37Å; G566-R914 VanDerWaalsContact O-NH1 3.08Å; Q568-R914 HydrophobicContact CB-CG 3.96Å; Q568-R914 HydrophobicContact CG-CG 4.26Å; Q568-R914 VanDerWaalsContact OE1-NH2 3.09Å; R912-R914 PolarHBondContact O-N 3.34Å
915	S	92.9	Very high	95.5	Very high	20 Å²	20	35.6 Å²	35.6	14%	0.14	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-22.6	-170.7	59.9	0	0	0	0	114.1	S869 H870 R912 Y917	S869-S915 CarbonylContact C-O 3.42Å; S869-S915 VanDerWaalsContact CA-O 3.26Å; S869-S915 WeakPolarHBondContact CA-O 3.42Å; H870-S915 PolarHBondContact N-O 3.35Å; R912-S915 WeakPolarHBondContact CA-OG 3.45Å; R912-S915 PolarHBondContact O-N 3.02Å; R912-S915 VanDerWaalsContact O-N 3.11Å; S915-Y917 PolarHBondContact O-N 3.38Å
916	G	94.9	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	123.5	173.9	0	0	0	0	0	110.7	R552 S869 R912 F919	R552-G916 PolarHBondContact NE-O 2.91Å; R552-G916 PolarHBondContact NH2-O 3.44Å; S869-G916 WeakPolarHBondContact OG-CA 3.28Å; R912-G916 WeakPolarHBondContact O-CA 3.44Å; R912-G916 PolarHBondContact O-N 3.33Å; G916-F919 VanDerWaalsContact C-CZ 3.46Å; G916-F919 WeakPolarHBondContact O-CE2 3.49Å; G916-F919 WeakPolarHBondContact O-CZ 3.3Å
917	Y	95.5	Very high	95.4	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.027	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-41.9	-164.2	-177.9	-127.6	0	0	0	112	D401 H403 H549 L550 R552 Y553 V868 Y880 S915	D401-Y917 PolarHBondContact OD1-OH 3.15Å; D401-Y917 VanDerWaalsContact OD2-CE1 3.23Å; D401-Y917 WeakPolarHBondContact OD2-CE1 3.32Å; D401-Y917 PolarHBondContact OD2-OH 3.48Å; D401-Y917 VanDerWaalsContact OD2-OH 3.09Å; H403-Y917 HydrophobicContact CB-CE1 4.2Å; H549-Y917 WeakPolarHBondContact CA-O 3.46Å; H549-Y917 AromaticContact CD2-CD2 3.98Å; H549-Y917 AromaticContact CD2-CE2 3.35Å; H549-Y917 WeakPolarHBondContact CD2-CE2 3.32Å; H549-Y917 AromaticContact CD2-CZ 3.5Å; H549-Y917 AromaticContact NE2-CE2 3.19Å; H549-Y917 WeakPolarHBondContact NE2-CE2 3.41Å; H549-Y917 AromaticContact NE2-CZ 3.25Å; H549-Y917 VanDerWaalsContact NE2-CZ 3.25Å; H549-Y917 PolarHBondContact NE2-OH 2.81Å; L550-Y917 PolarHBondContact N-O 2.94Å; L550-Y917 WeakPolarHBondContact O-CD2 3.31Å; L550-Y917 VanDerWaalsContact O-CE2 3.25Å; L550-Y917 WeakPolarHBondContact O-CE2 3.28Å; R552-Y917 HydrophobicContact CB-CD2 4.24Å; R552-Y917 HydrophobicContact CB-CE2 4.43Å; R552-Y917 HydrophobicContact CG-CD2 4.5Å; Y553-Y917 HydrophobicContact CD2-CE2 4.17Å; Y553-Y917 HydrophobicContact CE2-CD2 4.48Å; Y553-Y917 HydrophobicContact CE2-CE1 4.33Å; Y553-Y917 AromaticContact CE2-CE2 3.74Å; Y553-Y917 HydrophobicContact CE2-CE2 3.74Å; Y553-Y917 AromaticContact CE2-CZ 3.67Å; V868-Y917 PolarHBondContact O-N 3.1Å; Y880-Y917 AromaticContact CE1-CD1 3.84Å; Y880-Y917 HydrophobicContact CE1-CD1 3.84Å; Y880-Y917 HydrophobicContact CE1-CE1 4.33Å; S915-Y917 PolarHBondContact O-N 3.38Å
918	I	98.1	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.5	174	-48.6	161.9	0	0	0	108.4	I328 A402 H403 L406 I547 L548 H549 V868 F920	I328-I918 HydrophobicContact CD1-CD1 3.79Å; A402-I918 HydrophobicContact CB-CD1 4.12Å; H403-I918 HydrophobicContact CB-CD1 3.89Å; H403-I918 HydrophobicContact CB-CG1 4.33Å; L406-I918 HydrophobicContact CD2-CD1 4.34Å; L406-I918 HydrophobicContact CD2-CG2 4.02Å; I547-I918 HydrophobicContact CG2-CG2 3.66Å; L548-I918 CarbonylContact O-C 3.6Å; L548-I918 WeakPolarHBondContact O-CA 3.28Å; H549-I918 HydrophobicContact CB-CG1 4.44Å; V868-I918 HydrophobicContact CB-CB 4.2Å; V868-I918 PolarHBondContact N-O 2.91Å; V868-I918 PolarHBondContact O-N 2.9Å; V868-I918 VanDerWaalsContact O-N 3.08Å; I918-F920 HydrophobicContact CG2-CE2 4.05Å; I918-F920 HydrophobicContact CG2-CZ 4.46Å
919	F	98.4	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130	-173.1	-59.1	-101.3	0	0	0	109.6	I508 I547 L548 L550 I571 L864 V867 G916 Y921	I508-F919 HydrophobicContact CD1-CD1 3.6Å; I508-F919 HydrophobicContact CD1-CD2 4.06Å; I508-F919 HydrophobicContact CD1-CE1 3.49Å; I508-F919 VanDerWaalsContact CD1-CE1 3.49Å; I508-F919 HydrophobicContact CD1-CE2 3.99Å; I508-F919 HydrophobicContact CD1-CG 3.9Å; I508-F919 HydrophobicContact CD1-CZ 3.7Å; I547-F919 WeakPolarHBondContact CA-O 3.48Å; L548-F919 HydrophobicContact CB-CB 4.48Å; L548-F919 PolarHBondContact N-O 3.45Å; L548-F919 PolarHBondContact O-N 3.01Å; L550-F919 HydrophobicContact CD1-CD2 4.32Å; L550-F919 HydrophobicContact CD1-CE2 3.43Å; L550-F919 VanDerWaalsContact CD1-CE2 3.43Å; L550-F919 HydrophobicContact CD1-CZ 3.94Å; L550-F919 HydrophobicContact CG-CD2 4.2Å; L550-F919 HydrophobicContact CG-CE2 3.7Å; I571-F919 HydrophobicContact CB-CE1 4.49Å; I571-F919 HydrophobicContact CD1-CE1 3.76Å; I571-F919 HydrophobicContact CD1-CZ 4.3Å; I571-F919 HydrophobicContact CG1-CE1 3.79Å; I571-F919 HydrophobicContact CG1-CZ 4.33Å; I571-F919 HydrophobicContact CG2-CD1 4.14Å; I571-F919 HydrophobicContact CG2-CE1 3.9Å; L864-F919 HydrophobicContact CD1-CB 4.47Å; L864-F919 HydrophobicContact CD1-CD1 4.23Å; V867-F919 HydrophobicContact CB-CD1 4.39Å; V867-F919 HydrophobicContact CB-CE1 4.45Å; V867-F919 HydrophobicContact CG1-CD1 3.88Å; V867-F919 HydrophobicContact CG1-CE1 3.55Å; V867-F919 HydrophobicContact CG1-CZ 4.08Å; V867-F919 HydrophobicContact CG2-CD1 3.82Å; V867-F919 HydrophobicContact CG2-CE1 4.05Å; G916-F919 VanDerWaalsContact C-CZ 3.46Å; G916-F919 WeakPolarHBondContact O-CE2 3.49Å; G916-F919 WeakPolarHBondContact O-CZ 3.3Å; F919-Y921 HydrophobicContact CB-CD2 3.92Å; F919-Y921 HydrophobicContact CB-CE2 3.53Å; F919-Y921 HydrophobicContact CD1-CE2 4.47Å; F919-Y921 HydrophobicContact CG-CE2 4.29Å
920	F	98.6	Very high	95	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.8	174.9	-63.5	-103.3	0	0	0	108.5	L332 L335 L406 M466 V545 I547 I865 S866 V868 I918	L332-F920 HydrophobicContact CD2-CE1 3.99Å; L332-F920 HydrophobicContact CD2-CZ 4.47Å; L335-F920 HydrophobicContact CD1-CD1 4.5Å; L406-F920 HydrophobicContact CD1-CZ 4.39Å; L406-F920 HydrophobicContact CD2-CZ 4.01Å; M466-F920 HydrophobicContact CE-CD1 4.33Å; M466-F920 HydrophobicContact CE-CE1 4.18Å; V545-F920 HydrophobicContact CG1-CB 4.23Å; V545-F920 HydrophobicContact CG1-CD1 4.13Å; I547-F920 HydrophobicContact CD1-CD1 4.17Å; I547-F920 HydrophobicContact CD1-CE1 3.66Å; I547-F920 HydrophobicContact CD1-CZ 4.44Å; I547-F920 HydrophobicContact CG1-CD1 3.84Å; I547-F920 HydrophobicContact CG1-CE1 3.83Å; I865-F920 HydrophobicContact CG1-CB 4.13Å; I865-F920 VanDerWaalsContact CG1-O 3.24Å; I865-F920 WeakPolarHBondContact CG1-O 3.43Å; I865-F920 PolarHBondContact N-O 3.49Å; S866-F920 PolarHBondContact N-O 2.82Å; S866-F920 PolarHBondContact O-N 3.43Å; V868-F920 HydrophobicContact CG2-CE2 4.16Å; I918-F920 HydrophobicContact CG2-CE2 4.05Å; I918-F920 HydrophobicContact CG2-CZ 4.46Å
921	Y	98.4	Very high	94.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.8	179.9	-77.1	-90.5	0	0	0	108.8	V545 L546 L548 P572 L575 Y862 R863 L864 F919	V545-Y921 CarbonylContact C-O 3.45Å; V545-Y921 VanDerWaalsContact CA-O 3.24Å; V545-Y921 WeakPolarHBondContact CA-O 3.41Å; L546-Y921 PolarHBondContact N-O 3.19Å; L546-Y921 PolarHBondContact O-N 3.21Å; L548-Y921 HydrophobicContact CD1-CD2 4.3Å; L548-Y921 HydrophobicContact CD1-CE2 4.21Å; P572-Y921 PolarHBondContact O-OH 3.03Å; L575-Y921 HydrophobicContact CD1-CD1 3.89Å; L575-Y921 HydrophobicContact CD1-CD2 3.67Å; L575-Y921 HydrophobicContact CD1-CE1 3.75Å; L575-Y921 HydrophobicContact CD1-CE2 3.49Å; L575-Y921 VanDerWaalsContact CD1-CE2 3.49Å; L575-Y921 HydrophobicContact CD1-CG 3.86Å; L575-Y921 HydrophobicContact CG-CD1 4.02Å; L575-Y921 HydrophobicContact CG-CE1 3.65Å; L575-Y921 HydrophobicContact CG-CE2 4.27Å; L575-Y921 HydrophobicContact CG-CG 4.49Å; Y862-Y921 WeakPolarHBondContact CD1-O 3.4Å; R863-Y921 CarbonylContact O-C 3.48Å; R863-Y921 VanDerWaalsContact O-CA 3.27Å; R863-Y921 WeakPolarHBondContact O-CA 3.48Å; L864-Y921 HydrophobicContact CB-CD1 3.93Å; L864-Y921 HydrophobicContact CB-CE1 3.65Å; L864-Y921 HydrophobicContact CD1-CD1 4.14Å; L864-Y921 HydrophobicContact CD1-CD2 4.19Å; L864-Y921 HydrophobicContact CD1-CE1 3.73Å; L864-Y921 HydrophobicContact CD1-CE2 3.8Å; L864-Y921 HydrophobicContact CD1-CG 4.35Å; L864-Y921 HydrophobicContact CG-CE1 4.27Å; F919-Y921 HydrophobicContact CB-CD2 3.92Å; F919-Y921 HydrophobicContact CB-CE2 3.53Å; F919-Y921 HydrophobicContact CD1-CE2 4.47Å; F919-Y921 HydrophobicContact CG-CE2 4.29Å
922	M	97.8	Very high	94.6	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.8	-177.9	178.4	173.9	-81.5	0	0	111.3	R544 V545 Y862 R863 I865 K924 V926 F927 L930	R544-M922 CarbonylContact O-C 2.96Å; R544-M922 WeakPolarHBondContact O-CA 3.28Å; V545-M922 HydrophobicContact CG2-CB 4.15Å; V545-M922 HydrophobicContact CG2-CE 3.63Å; V545-M922 HydrophobicContact CG2-CG 4.21Å; Y862-M922 CarbonylContact C-O 3.52Å; Y862-M922 VanDerWaalsContact CA-O 3.29Å; Y862-M922 WeakPolarHBondContact CA-O 3.22Å; R863-M922 PolarHBondContact N-O 2.98Å; R863-M922 PolarHBondContact O-N 3.02Å; I865-M922 HydrophobicContact CD1-CB 3.75Å; I865-M922 HydrophobicContact CD1-CE 3.95Å; I865-M922 HydrophobicContact CG1-CB 4.15Å; I865-M922 HydrophobicContact CG2-CB 4.18Å; M922-K924 PolarHBondContact O-N 3.07Å; M922-V926 HydrophobicContact CG-CB 4.38Å; M922-V926 HydrophobicContact CG-CG1 4.41Å; M922-V926 HydrophobicContact SD-CG1 4.41Å; M922-F927 HydrophobicContact CG-CB 4.04Å; M922-F927 HydrophobicContact SD-CB 3.92Å; M922-F927 HydrophobicContact SD-CD2 4.21Å; M922-L930 HydrophobicContact CE-CD1 3.94Å; M922-L930 HydrophobicContact SD-CD1 3.84Å
923	H	97.6	Very high	94.2	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.028	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	131.8	178.5	-170.9	-84.7	0	0	0	110.2	R544 P588 Y862 D925 V926 F927	R544-H923 PolarHBondContact O-N 3Å; P588-H923 HydrophobicContact CG-CB 3.94Å; Y862-H923 HydrophobicContact CD1-CB 4.11Å; Y862-H923 HydrophobicContact CE1-CB 3.73Å; Y862-H923 HydrophobicContact CE2-CB 4.48Å; Y862-H923 AromaticContact CE2-CD2 3.59Å; Y862-H923 AromaticContact CZ-CD2 3.58Å; H923-D925 VanDerWaalsContact CE1-CG 3.42Å; H923-D925 IonicContact CE1-OD1 3.46Å; H923-D925 PolarHBondContact CE1-OD1 3.42Å; H923-D925 IonicContact CE1-OD2 2.64Å; H923-D925 PolarHBondContact CE1-OD2 2.95Å; H923-D925 PolarHBondContact ND1-N 2.88Å; H923-D925 IonicContact ND1-OD1 2.63Å; H923-D925 IonicContact ND1-OD2 2.6Å; H923-D925 PolarHBondContact O-N 3.4Å; H923-V926 HydrophobicContact CB-CB 4.38Å; H923-V926 HydrophobicContact CB-CG2 4.06Å; H923-V926 WeakPolarHBondContact O-CB 2.85Å; H923-V926 PolarHBondContact O-N 3.36Å; H923-F927 PolarHBondContact O-N 2.87Å
924	K	95.3	Very high	93.8	Very high	47 Å²	47	35.5 Å²	35.5	20%	0.204	17%	0.172	C	C	.	.	H	α-helix	trans	-50.2	-53.4	-170.6	179.2	179.6	176.1	-177.1	0	112.3	G856 S861 M922 V926 F927 E928	G856-K924 VanDerWaalsContact O-CD 3.27Å; G856-K924 WeakPolarHBondContact O-CD 3.36Å; G856-K924 WeakPolarHBondContact O-CE 3.46Å; G856-K924 PolarHBondContact O-NZ 3.28Å; S861-K924 WeakPolarHBondContact O-CB 3.36Å; S861-K924 PolarHBondContact O-N 3.18Å; M922-K924 PolarHBondContact O-N 3.07Å; K924-V926 PolarHBondContact O-N 3.28Å; K924-F927 CarbonylContact O-C 3.6Å; K924-F927 WeakPolarHBondContact O-CA 3.36Å; K924-F927 WeakPolarHBondContact O-CB 3.34Å; K924-F927 PolarHBondContact O-N 2.85Å; K924-E928 WeakPolarHBondContact CE-OE1 3.18Å; K924-E928 HydrophobicContact CG-CG 4.41Å; K924-E928 WeakPolarHBondContact CG-OE1 3.22Å; K924-E928 WeakPolarHBondContact O-CG 3.48Å; K924-E928 PolarHBondContact O-N 3.09Å
925	D	93.7	Very high	93.2	Very high	83 Å²	83	37.6 Å²	37.6	44%	0.444	18%	0.179	S	C	.	.	H	α-helix	trans	-60.4	-33	-177.6	-44.9	8.6	0	0	0	112.2	H923 Q929	H923-D925 VanDerWaalsContact CE1-CG 3.42Å; H923-D925 IonicContact CE1-OD1 3.46Å; H923-D925 PolarHBondContact CE1-OD1 3.42Å; H923-D925 IonicContact CE1-OD2 2.64Å; H923-D925 PolarHBondContact CE1-OD2 2.95Å; H923-D925 PolarHBondContact ND1-N 2.88Å; H923-D925 IonicContact ND1-OD1 2.63Å; H923-D925 IonicContact ND1-OD2 2.6Å; H923-D925 PolarHBondContact O-N 3.4Å; D925-Q929 WeakPolarHBondContact O-CB 3.45Å; D925-Q929 WeakPolarHBondContact O-CG 3.32Å; D925-Q929 PolarHBondContact O-N 3.42Å; D925-Q929 PolarHBondContact O-NE2 3.1Å
926	V	94.7	Very high	92.4	Very high	8 Å²	8	39.7 Å²	39.7	5%	0.048	19%	0.194	C	C	.	.	H	α-helix	trans	-75.3	-39.8	177.7	-178.5	0	0	0	0	110.3	R544 P588 L591 M922 H923 K924 L930	R544-V926 HydrophobicContact CB-CG1 4.37Å; R544-V926 HydrophobicContact CG-CG1 4.44Å; R544-V926 HydrophobicContact CG-CG2 4.32Å; P588-V926 HydrophobicContact CB-CG2 4.41Å; L591-V926 HydrophobicContact CD1-CG1 4.39Å; L591-V926 HydrophobicContact CD2-CG1 4.19Å; L591-V926 HydrophobicContact CG-CG1 4.44Å; M922-V926 HydrophobicContact CG-CB 4.38Å; M922-V926 HydrophobicContact CG-CG1 4.41Å; M922-V926 HydrophobicContact SD-CG1 4.41Å; H923-V926 HydrophobicContact CB-CB 4.38Å; H923-V926 HydrophobicContact CB-CG2 4.06Å; H923-V926 WeakPolarHBondContact O-CB 2.85Å; H923-V926 PolarHBondContact O-N 3.36Å; K924-V926 PolarHBondContact O-N 3.28Å; V926-L930 HydrophobicContact CG1-CD1 4.12Å; V926-L930 WeakPolarHBondContact O-CB 3.31Å; V926-L930 VanDerWaalsContact O-CG 3.22Å; V926-L930 WeakPolarHBondContact O-CG 3.48Å; V926-L930 PolarHBondContact O-N 3.11Å
927	F	94.9	Very high	90.8	Very high	16 Å²	16	41.7 Å²	41.7	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-42.9	172.8	179	-81.5	0	0	0	111.4	R863 I865 Y885 M887 M922 H923 K924 L930 S931	R863-F927 HydrophobicContact CG-CD2 4.45Å; I865-F927 HydrophobicContact CG2-CD2 3.77Å; I865-F927 HydrophobicContact CG2-CE2 3.84Å; Y885-F927 AromaticContact CD1-CE2 3.82Å; Y885-F927 HydrophobicContact CD1-CE2 3.82Å; Y885-F927 HydrophobicContact CD1-CZ 4.09Å; Y885-F927 AromaticContact CE1-CE2 3.8Å; Y885-F927 HydrophobicContact CE1-CE2 3.8Å; Y885-F927 AromaticContact CE1-CZ 3.59Å; Y885-F927 HydrophobicContact CE1-CZ 3.59Å; M887-F927 HydrophobicContact CE-CD1 4.38Å; M887-F927 HydrophobicContact CE-CD2 3.55Å; M887-F927 HydrophobicContact CE-CE1 4.33Å; M887-F927 HydrophobicContact CE-CE2 3.5Å; M887-F927 VanDerWaalsContact CE-CE2 3.5Å; M887-F927 HydrophobicContact CE-CG 4Å; M887-F927 HydrophobicContact CE-CZ 3.89Å; M887-F927 WeakPolarHBondContact CE-O 3.32Å; M887-F927 HydrophobicContact SD-CE2 4.05Å; M887-F927 HydrophobicContact SD-CZ 3.97Å; M922-F927 HydrophobicContact CG-CB 4.04Å; M922-F927 HydrophobicContact SD-CB 3.92Å; M922-F927 HydrophobicContact SD-CD2 4.21Å; H923-F927 PolarHBondContact O-N 2.87Å; K924-F927 CarbonylContact O-C 3.6Å; K924-F927 WeakPolarHBondContact O-CA 3.36Å; K924-F927 WeakPolarHBondContact O-CB 3.34Å; K924-F927 PolarHBondContact O-N 2.85Å; F927-L930 PolarHBondContact O-N 3.43Å; F927-S931 WeakPolarHBondContact CE1-OG 3.39Å; F927-S931 WeakPolarHBondContact O-CB 3.35Å; F927-S931 PolarHBondContact O-N 3.2Å; F927-S931 PolarHBondContact O-OG 3.49Å
928	E	92.9	Very high	88.6	Confident	81 Å²	81	45 Å²	45	38%	0.379	24%	0.239	S	C	.	.	H	α-helix	trans	-68	-48.4	180	-72.5	172.8	178.3	0	0	111	K924 L930 S931 E932	K924-E928 WeakPolarHBondContact CE-OE1 3.18Å; K924-E928 HydrophobicContact CG-CG 4.41Å; K924-E928 WeakPolarHBondContact CG-OE1 3.22Å; K924-E928 WeakPolarHBondContact O-CG 3.48Å; K924-E928 PolarHBondContact O-N 3.09Å; E928-L930 VanDerWaalsContact C-N 3.34Å; E928-L930 PolarHBondContact O-N 2.92Å; E928-S931 WeakPolarHBondContact O-CA 3.45Å; E928-S931 WeakPolarHBondContact O-CB 3.46Å; E928-S931 PolarHBondContact O-N 2.92Å; E928-E932 WeakPolarHBondContact O-CG 3.36Å; E928-E932 PolarHBondContact O-N 2.94Å
929	Q	92.8	Very high	85.9	Confident	73 Å²	73	47.9 Å²	47.9	34%	0.341	26%	0.259	S	S	.	.	H	α-helix	trans	-56.3	-43.8	173.2	-73	164.1	38.8	0	0	112.6	L591 D925 S931 E932 V933	L591-Q929 HydrophobicContact CD1-CB 3.8Å; D925-Q929 WeakPolarHBondContact O-CB 3.45Å; D925-Q929 WeakPolarHBondContact O-CG 3.32Å; D925-Q929 PolarHBondContact O-N 3.42Å; D925-Q929 PolarHBondContact O-NE2 3.1Å; Q929-S931 VanDerWaalsContact C-N 3.34Å; Q929-E932 PolarHBondContact O-N 2.86Å; Q929-V933 WeakPolarHBondContact O-CG2 3.5Å; Q929-V933 PolarHBondContact O-N 2.91Å
930	L	91.8	Very high	83	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.052	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-34.4	176.4	-71.3	172.3	0	0	0	112.5	P336 L591 M887 M922 V926 F927 E928 V933 E934	P336-L930 HydrophobicContact CB-CD1 4.16Å; P336-L930 HydrophobicContact CB-CD2 4.19Å; P336-L930 HydrophobicContact CG-CD1 4.34Å; L591-L930 HydrophobicContact CD1-CD2 3.83Å; L591-L930 HydrophobicContact CD1-CG 3.88Å; L591-L930 HydrophobicContact CD2-CD2 4.3Å; M887-L930 HydrophobicContact CE-CB 3.98Å; M922-L930 HydrophobicContact CE-CD1 3.94Å; M922-L930 HydrophobicContact SD-CD1 3.84Å; V926-L930 HydrophobicContact CG1-CD1 4.12Å; V926-L930 WeakPolarHBondContact O-CB 3.31Å; V926-L930 VanDerWaalsContact O-CG 3.22Å; V926-L930 WeakPolarHBondContact O-CG 3.48Å; V926-L930 PolarHBondContact O-N 3.11Å; F927-L930 PolarHBondContact O-N 3.43Å; E928-L930 VanDerWaalsContact C-N 3.34Å; E928-L930 PolarHBondContact O-N 2.92Å; L930-V933 PolarHBondContact O-N 3.38Å; L930-E934 PolarHBondContact O-N 3.46Å; L930-E934 VanDerWaalsContact O-N 3.09Å
931	S	90.9	Very high	80	Confident	14 Å²	14	55.2 Å²	55.2	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-41.5	174.4	-59.9	0	0	0	0	111.4	M887 F927 E928 Q929 E934 R935	M887-S931 PolarHBondContact SD-OG 3.32Å; F927-S931 WeakPolarHBondContact CE1-OG 3.39Å; F927-S931 WeakPolarHBondContact O-CB 3.35Å; F927-S931 PolarHBondContact O-N 3.2Å; F927-S931 PolarHBondContact O-OG 3.49Å; E928-S931 WeakPolarHBondContact O-CA 3.45Å; E928-S931 WeakPolarHBondContact O-CB 3.46Å; E928-S931 PolarHBondContact O-N 2.92Å; Q929-S931 VanDerWaalsContact C-N 3.34Å; S931-E934 PolarHBondContact O-N 3.36Å; S931-R935 WeakPolarHBondContact O-CB 3.48Å; S931-R935 WeakPolarHBondContact O-CD 3.49Å; S931-R935 WeakPolarHBondContact O-CG 3.3Å; S931-R935 PolarHBondContact O-N 2.95Å
932	E	89.1	Confident	77	Confident	133 Å²	133	58.5 Å²	58.5	62%	0.621	34%	0.338	S	S	*	.	H	α-helix	trans	-66.6	-37.9	176.4	-70.4	-178.4	160.2	0	0	112.5	E928 Q929 R935 S936	E928-E932 WeakPolarHBondContact O-CG 3.36Å; E928-E932 PolarHBondContact O-N 2.94Å; Q929-E932 PolarHBondContact O-N 2.86Å; E932-R935 PolarHBondContact O-N 3.44Å; E932-S936 WeakPolarHBondContact O-CB 3.46Å; E932-S936 PolarHBondContact O-N 2.95Å; E932-S936 PolarHBondContact O-OG 2.87Å
933	V	85.9	Confident	74	Confident	73 Å²	73	65.6 Å²	65.6	44%	0.442	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-43.4	174.9	170.4	0	0	0	0	111.8	T594 Q929 L930 S936 G937	T594-V933 HydrophobicContact CG2-CG2 4.35Å; Q929-V933 WeakPolarHBondContact O-CG2 3.5Å; Q929-V933 PolarHBondContact O-N 2.91Å; L930-V933 PolarHBondContact O-N 3.38Å; V933-S936 WeakPolarHBondContact CA-OG 3.17Å; V933-S936 PolarHBondContact O-OG 2.78Å; V933-G937 PolarHBondContact O-N 3.47Å
934	E	83.8	Confident	70.9	Confident	48 Å²	48	69.8 Å²	69.8	22%	0.224	41%	0.407	C	S	.	.	H	α-helix	trans	-67.8	-35.6	174.8	-68.4	-76	169.6	0	0	112	M887 K888 L930 S931 S938	M887-E934 HydrophobicContact CG-CG 3.96Å; K888-E934 WeakPolarHBondContact CG-OE2 3.44Å; K888-E934 VanDerWaalsContact NZ-CD 3.33Å; K888-E934 IonicContact NZ-OE1 2.63Å; K888-E934 PolarHBondContact NZ-OE1 2.81Å; K888-E934 IonicContact NZ-OE2 3.34Å; K888-E934 PolarHBondContact NZ-OE2 3.18Å; K888-E934 VanDerWaalsContact NZ-OE2 3.12Å; L930-E934 PolarHBondContact O-N 3.46Å; L930-E934 VanDerWaalsContact O-N 3.09Å; S931-E934 PolarHBondContact O-N 3.36Å; E934-S938 WeakPolarHBondContact O-CB 3.47Å; E934-S938 PolarHBondContact O-N 3.22Å; E934-S938 VanDerWaalsContact O-N 3.07Å; E934-S938 PolarHBondContact O-OG 3.4Å
935	R	79.9	Confident	67.9	Low	169 Å²	169	70.9 Å²	70.9	64%	0.638	43%	0.431	S	S	*	.	H	α-helix	trans	-70	-34.6	176.9	-73.3	167.7	65.3	80.4	3.9	113.5	S931 E932 S938 S939	S931-R935 WeakPolarHBondContact O-CB 3.48Å; S931-R935 WeakPolarHBondContact O-CD 3.49Å; S931-R935 WeakPolarHBondContact O-CG 3.3Å; S931-R935 PolarHBondContact O-N 2.95Å; E932-R935 PolarHBondContact O-N 3.44Å; R935-S938 WeakPolarHBondContact CA-OG 3.47Å; R935-S938 PolarHBondContact O-OG 2.87Å; R935-S939 PolarHBondContact O-N 3.03Å
936	S	75.1	Confident	65.2	Low	64 Å²	64	77 Å²	77	45%	0.448	45%	0.448	S	S	.	.	H	α-helix	trans	-80.8	-39.1	175.7	50.4	0	0	0	0	112.2	E932 V933 S938 S939 S940	E932-S936 WeakPolarHBondContact O-CB 3.46Å; E932-S936 PolarHBondContact O-N 2.95Å; E932-S936 PolarHBondContact O-OG 2.87Å; V933-S936 WeakPolarHBondContact CA-OG 3.17Å; V933-S936 PolarHBondContact O-OG 2.78Å; S936-S938 VanDerWaalsContact C-N 3.27Å; S936-S938 PolarHBondContact O-N 3.37Å; S936-S939 PolarHBondContact O-N 3.5Å; S936-S939 VanDerWaalsContact O-N 3.09Å; S936-S939 PolarHBondContact O-OG 3.41Å; S936-S940 PolarHBondContact O-N 2.7Å
937	G	61.7	Low	62.4	Low	42 Å²	42	84 Å²	84	43%	0.433	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-30.6	173.2	0	0	0	0	0	113.7	V933 S940	V933-G937 PolarHBondContact O-N 3.47Å; G937-S940 PolarHBondContact O-OG 3.3Å
938	S	49.2	Very low	59.5	Low	76 Å²	76	90 Å²	90	53%	0.531	52%	0.523	S	S	.	.	H	α-helix	trans	-79.3	-20.4	172.6	49.8	0	0	0	0	113.9	E934 R935 S936	E934-S938 WeakPolarHBondContact O-CB 3.47Å; E934-S938 PolarHBondContact O-N 3.22Å; E934-S938 VanDerWaalsContact O-N 3.07Å; E934-S938 PolarHBondContact O-OG 3.4Å; R935-S938 WeakPolarHBondContact CA-OG 3.47Å; R935-S938 PolarHBondContact O-OG 2.87Å; S936-S938 VanDerWaalsContact C-N 3.27Å; S936-S938 PolarHBondContact O-N 3.37Å
939	S	41.3	Very low	56.9	Low	61 Å²	61	93.7 Å²	93.7	43%	0.427	54%	0.544	S	S	.	.	H	α-helix	trans	-78.1	-42.8	175.7	68.8	0	0	0	0	112.6	R935 S936 A941 S942 E943	R935-S939 PolarHBondContact O-N 3.03Å; S936-S939 PolarHBondContact O-N 3.5Å; S936-S939 VanDerWaalsContact O-N 3.09Å; S936-S939 PolarHBondContact O-OG 3.41Å; S939-A941 VanDerWaalsContact C-N 3.34Å; S939-A941 PolarHBondContact O-N 3.21Å; S939-S942 WeakPolarHBondContact O-CB 3.11Å; S939-S942 PolarHBondContact O-N 3.14Å; S939-S942 PolarHBondContact O-OG 3.47Å; S939-E943 PolarHBondContact O-N 2.75Å
940	S	38	Very low	53.9	Low	77 Å²	77	99 Å²	99	54%	0.538	57%	0.569	S	S	.	*	H	α-helix	trans	-62.9	-38.7	178.8	55.9	0	0	0	0	112.6	S936 G937 S942 E943	S936-S940 PolarHBondContact O-N 2.7Å; G937-S940 PolarHBondContact O-OG 3.3Å; S940-S942 PolarHBondContact O-N 3.11Å; S940-E943 PolarHBondContact O-N 3.2Å
941	A	36.2	Very low	51.4	Low	76 Å²	76	104.4 Å²	104.4	63%	0.628	60%	0.604	S	S	*	*	H	α-helix	trans	-62	-20.5	171.9	0	0	0	0	0	113.7	S939	S939-A941 VanDerWaalsContact C-N 3.34Å; S939-A941 PolarHBondContact O-N 3.21Å
942	S	35.4	Very low	48.6	Very low	70 Å²	70	115.7 Å²	115.7	49%	0.49	66%	0.663	S	S	.	*	H	α-helix	trans	-89.3	-26.7	-178.8	81	0	0	0	0	114.3	S939 S940	S939-S942 WeakPolarHBondContact O-CB 3.11Å; S939-S942 PolarHBondContact O-N 3.14Å; S939-S942 PolarHBondContact O-OG 3.47Å; S940-S942 PolarHBondContact O-N 3.11Å
943	E	34.3	Very low	46.6	Very low	151 Å²	151	114.9 Å²	114.9	71%	0.706	67%	0.665	S	S	*	*	H	α-helix	trans	-81.4	-30.9	179.1	-67.1	-164	120.4	0	0	112.7	S939 S940 G945 R946	S939-E943 PolarHBondContact O-N 2.75Å; S940-E943 PolarHBondContact O-N 3.2Å; E943-G945 PolarHBondContact O-N 2.89Å; E943-R946 PolarHBondContact O-N 3.18Å
944	A	32.6	Very low	44.5	Very low	94 Å²	94	117.1 Å²	117.1	78%	0.777	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-21.6	174.1	0	0	0	0	0	113.6
945	G	31.9	Very low	42.3	Very low	69 Å²	69	120.9 Å²	120.9	71%	0.711	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	6.1	177.3	0	0	0	0	0	116	E943	E943-G945 PolarHBondContact O-N 2.89Å
946	R	37.5	Very low	40.1	Very low	212 Å²	212	118.1 Å²	118.1	80%	0.8	71%	0.705	S	S	*	*	S	Bend	trans	-132.3	41.7	-168.8	-77	-171.1	170.4	-178.8	-0.2	116.3	E943	E943-R946 PolarHBondContact O-N 3.18Å
947	N	36.2	Very low	37.9	Very low	155 Å²	155	121.4 Å²	121.4	83%	0.829	72%	0.721	S	S	*	*			trans	-147.1	75.8	162.7	-91.2	-48	0	0	0	112.6
948	V	34	Very low	36.4	Very low	142 Å²	142	126.7 Å²	126.7	86%	0.861	74%	0.741	S	S	*	*			trans	-121.7	103.7	162	-179.3	0	0	0	0	107.9
949	L	37.8	Very low	35.4	Very low	159 Å²	159	130.4 Å²	130.4	83%	0.832	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-73.9	133.4	170.5	-72	165.4	0	0	0	108.9
950	Q	29.3	Very low	35	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.6	134.2	170.5	-67.4	-176.1	-91.1	0	0	110.1
951	P	39.8	Very low	34.7	Very low	123 Å²	123	140.6 Å²	140.6	80%	0.799	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63.9	162.5	157	-16.4	31.6	0	0	0	111.1
952	L	31.9	Very low	34.6	Very low	252 Å²	252	146.5 Å²	146.5	100%	1.319	82%	0.817	S	S	*	*			trans	-63.1	0	179.5	-71	160.8	0	0	0	113.5

Retrieved 952 of 952 residues in 491.5 ms (Link to these results)

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