A0A087YKG3_POEFO Loading...

Anaphase-promoting complex subunit 4

Component of the anaphase promoting complex/cyclosome (APC/C), a cell cycle-regulated E3 ubiquitin ligase that controls progression through mitosis and the G1 phase of the cell cycle. The APC/C complex acts by mediating ubiquitination and subsequent degradation of target proteins: it mainly mediates the formation of 'Lys-11'-linked polyubiquitin chains and, to a lower extent, the formation of 'Lys-48'- and 'Lys-63'-linked polyubiquitin chains. The APC/C complex catalyzes assembly of branched 'Lys-11'-/'Lys-48'-linked branched ubiquitin chains on target proteins.

AlphaFold DB (A0A3B3VDA2), UniProt , Accession A0A087YKG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 802 aa.

						>A0A087YKG3_POEFO|A0A087YKG3
MPAFRQVGEKQLPNPVKCMAWSPKRDLIALANTTGELLLHRLASFQRVWSLAPSEYTGKEITALTWRPDGKILAFSLGDTKQVVLCDVEKAEILHMFPMQSSVTCMNWMEVVEENSSLGSFYNSEDESKLFLPELPTLPKSYNTTSKIFSEEKSDEILNLLGEVRLNILVLGGDAGCVELYAYGMYKIASLGEVSGSCRSLSLSSDLKSLSLITEVQSADGVSEICYVQLDTSLLSDCLPEVTKMARKFTHISTLLQYLHLSLTCMCEAWEEILMQMDLRLTKFVQEKNTSTQVQDEFLDLLLWGQSSPELQALLMNQLTVKGLKKLGQSIESSYSSIQKLVISHLQSGSEALLYQLSEVRGMSLWKQKFERLGLDSDAIDGAITAVGSFSLKANELLQVIDKSTKNFKAFFRWLYVAMLRMCDEHVPPELNKMTQKDIAFVADFLSEHFSENEELFDRKGKYFNVERVGQYLKDEDEDLVSPPNTKGNQWLKFLQESTYLKVSPLLFPSYPQKSLHFVKRMMENVIERCLQKPAEVIGRSVKQAVFLPLYAVSDNSEKIPHLFELPSLWNDKKGKMHCVVFCMPEISPSKLYLLRKGTDPNRHIPNSFMSFDLSHYLDSTDDDGVAAQSRYVYSCLDARFYDDEMLTVVLQGSEDQNSRRLLAQVSLASSLSCDSEFNWEPGVRLDQQCSTIPCQGLVLGNQWRELENMKAQFVAVNGIRKVACVLSANLRHIRVFEMDVEDEEDEGAESQNASADQDGLETSMSGQGPVEESLESEGESREQEGDVFQKSEELLQSQEAL
					

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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	59.7	Low	86.3	Confident	144 Å²	144	61.4 Å²	61.4	71%	0.709	30%	0.3	S	S	*	.				0	144.2	0	-73.1	170.5	170.7	0	0	107.8	E742	M1-E742 HydrophobicContact CB-CB 4.18Å
2	P	75.7	Confident	86.8	Confident	42 Å²	42	56.7 Å²	56.7	27%	0.273	28%	0.277	S	S	.	.			trans	-62.6	138.6	174.7	23.9	-28	0	0	0	109.6	R705 D743	P2-R705 HydrophobicContact CB-CG 4.14Å; P2-D743 HydrophobicContact CG-CB 3.75Å; P2-D743 PolarHBondContact O-N 3.08Å
3	A	78.3	Confident	87.2	Confident	12 Å²	12	58.5 Å²	58.5	10%	0.099	30%	0.296	C	S	.	.	S	Bend	trans	-65.9	146.3	174.9	0	0	0	0	0	109.5	W704 R705	A3-W704 WeakPolarHBondContact CB-O 3.37Å; A3-R705 VanDerWaalsContact O-CB 3.28Å; A3-R705 WeakPolarHBondContact O-CB 3.18Å; A3-R705 VanDerWaalsContact O-CD 3.3Å; A3-R705 WeakPolarHBondContact O-CD 3.5Å
4	F	90.7	Very high	87.6	Confident	5 Å²	5	57.7 Å²	57.7	2%	0.022	29%	0.293	C	S	.	.	S	Bend	trans	71.8	126.2	-178.6	-31.8	-47.9	0	0	0	113.7	L663 Q665 Q703 R705 F737 E738 M739 V741	F4-L663 HydrophobicContact CD2-CD2 4.01Å; F4-L663 HydrophobicContact CD2-CG 4.37Å; F4-L663 HydrophobicContact CE2-CD2 4.32Å; F4-L663 HydrophobicContact CE2-CG 4.21Å; F4-Q665 HydrophobicContact CE1-CG 4.18Å; F4-Q665 HydrophobicContact CZ-CB 4.35Å; F4-Q665 HydrophobicContact CZ-CG 3.88Å; F4-Q703 HydrophobicContact CE1-CB 4.27Å; F4-Q703 HydrophobicContact CZ-CB 4.16Å; F4-Q703 VanDerWaalsContact CZ-O 3.31Å; F4-Q703 WeakPolarHBondContact CZ-O 3.41Å; F4-R705 HydrophobicContact CD2-CB 3.85Å; F4-R705 HydrophobicContact CE2-CB 4.35Å; F4-R705 PolarHBondContact O-NH1 2.97Å; F4-F737 HydrophobicContact CB-CB 4.28Å; F4-E738 CarbonylContact C-O 3.36Å; F4-E738 WeakPolarHBondContact CA-O 3.38Å; F4-M739 HydrophobicContact CB-SD 3.91Å; F4-M739 HydrophobicContact CD1-CB 4.14Å; F4-M739 HydrophobicContact CD1-CE 3.5Å; F4-M739 WeakPolarHBondContact CD1-O 3.32Å; F4-M739 HydrophobicContact CD1-SD 3.69Å; F4-M739 HydrophobicContact CD2-CE 3.78Å; F4-M739 HydrophobicContact CD2-SD 4.04Å; F4-M739 HydrophobicContact CE1-CE 3.36Å; F4-M739 HydrophobicContact CE1-SD 4.2Å; F4-M739 HydrophobicContact CE2-CE 3.64Å; F4-M739 HydrophobicContact CG-CE 3.71Å; F4-M739 HydrophobicContact CG-SD 3.59Å; F4-M739 VanDerWaalsContact CG-SD 3.59Å; F4-M739 HydrophobicContact CZ-CE 3.41Å; F4-M739 VanDerWaalsContact CZ-CE 3.41Å; F4-V741 CarbonylContact C-O 3.52Å; F4-V741 VanDerWaalsContact CA-O 3.31Å; F4-V741 WeakPolarHBondContact CA-O 3.37Å; F4-V741 PolarHBondContact N-O 3.34Å
5	R	91.3	Very high	87.9	Confident	96 Å²	96	55.6 Å²	55.6	36%	0.362	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.1	178.8	-177.8	-174.7	-175.8	169.7	11.6	110.9	F737 E738 V741 D743	R5-F737 CarbonylContact O-C 3.59Å; R5-F737 WeakPolarHBondContact O-CA 3.23Å; R5-E738 HydrophobicContact CB-CB 4.45Å; R5-E738 PolarHBondContact N-O 2.73Å; R5-E738 PolarHBondContact O-N 3.08Å; R5-V741 HydrophobicContact CB-CB 4.22Å; R5-V741 HydrophobicContact CB-CG1 4.49Å; R5-V741 PolarHBondContact N-O 2.81Å; R5-D743 WeakPolarHBondContact CA-OD1 2.96Å; R5-D743 WeakPolarHBondContact CG-OD1 3.18Å
6	Q	91.6	Very high	88.2	Confident	60 Å²	60	52.2 Å²	52.2	28%	0.28	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.7	174.2	-179.2	170	-45.9	0	0	110.3	E9 F737 D743	Q6-E9 PolarHBondContact NE2-OE2 3.15Å; Q6-F737 HydrophobicContact CB-CD1 4.11Å; Q6-F737 HydrophobicContact CB-CE1 3.96Å; Q6-F737 HydrophobicContact CG-CE1 4.23Å; Q6-D743 PolarHBondContact N-OD1 2.65Å
7	V	91.4	Very high	88.2	Confident	42 Å²	42	51.8 Å²	51.8	26%	0.255	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-20.5	-175.6	-175.3	0	0	0	0	112.5	L42 S44 V736 E738	V7-L42 HydrophobicContact CG1-CG 4.29Å; V7-S44 PolarHBondContact O-N 3.42Å; V7-V736 PolarHBondContact N-O 3.42Å; V7-E738 HydrophobicContact CG2-CB 3.77Å
8	G	90.3	Very high	88.2	Confident	8 Å²	8	49.3 Å²	49.3	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	150.4	177.6	0	0	0	0	0	113.2	R735 V736	G8-R735 WeakPolarHBondContact O-CA 3.47Å; G8-V736 PolarHBondContact N-O 3.36Å; G8-V736 PolarHBondContact O-N 3.38Å
9	E	93.4	Very high	88.4	Confident	88 Å²	88	47.8 Å²	47.8	41%	0.411	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	131	175	176.6	163.7	-164.4	0	0	108.8	Q6 H733 I734 R735	Q6-E9 PolarHBondContact NE2-OE2 3.15Å; E9-H733 IonicContact OE1-CD2 2.67Å; E9-H733 IonicContact OE1-CE1 3.63Å; E9-H733 PolarHBondContact OE1-CE1 2.72Å; E9-H733 VanDerWaalsContact OE1-CE1 3.23Å; E9-H733 IonicContact OE1-NE2 2.66Å; E9-H733 PolarHBondContact OE1-NE2 3.35Å; E9-I734 WeakPolarHBondContact CA-O 3.28Å; E9-R735 HydrophobicContact CB-CG 4.07Å; E9-R735 HydrophobicContact CG-CG 3.78Å; E9-R735 IonicContact OE1-CZ 2.86Å; E9-R735 IonicContact OE1-NE 3.39Å; E9-R735 PolarHBondContact OE1-NE 2.88Å; E9-R735 IonicContact OE1-NH2 2.84Å; E9-R735 PolarHBondContact OE1-NH2 3.29Å; E9-R735 IonicContact OE2-CZ 2.58Å; E9-R735 IonicContact OE2-NE 2.75Å; E9-R735 PolarHBondContact OE2-NE 3.04Å
10	K	93.6	Very high	88.6	Confident	73 Å²	73	46.6 Å²	46.6	32%	0.317	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	139.4	-177.2	-160	172.2	-168.6	168.4	0	111.8	L12 F45 I734	K10-L12 HydrophobicContact CD-CD2 4.34Å; K10-F45 HydrophobicContact CB-CD1 3.86Å; K10-F45 HydrophobicContact CD-CD1 3.8Å; K10-F45 HydrophobicContact CG-CD1 4.47Å; K10-I734 PolarHBondContact N-O 3.12Å; K10-I734 PolarHBondContact O-N 3.18Å
11	Q	93.5	Very high	88.9	Confident	105 Å²	105	45.3 Å²	45.3	49%	0.491	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.6	167	-172.3	68.8	21	0	0	109	H733	Q11-H733 VanDerWaalsContact OE1-CA 3.3Å
12	L	92.9	Very high	90.6	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	20%	0.199	C	C	.	.			trans	-83.1	148.9	176.4	-63.9	179.3	0	0	0	111.6	K10 V16 L30 F45 R732 I734	K10-L12 HydrophobicContact CD-CD2 4.34Å; L12-V16 HydrophobicContact CD1-CG2 3.49Å; L12-V16 VanDerWaalsContact CD1-CG2 3.49Å; L12-L30 HydrophobicContact CD1-CD1 3.96Å; L12-F45 HydrophobicContact CD2-CE1 4.43Å; L12-R732 WeakPolarHBondContact CB-O 3.3Å; L12-R732 PolarHBondContact N-O 2.78Å; L12-R732 WeakPolarHBondContact O-CB 3.46Å; L12-I734 HydrophobicContact CD1-CD1 3.48Å; L12-I734 VanDerWaalsContact CD1-CD1 3.48Å; L12-I734 HydrophobicContact CD1-CG1 4.36Å; L12-I734 HydrophobicContact CG-CD1 4.28Å
13	P	92	Very high	91.3	Very high	81 Å²	81	38 Å²	38	53%	0.526	20%	0.197	S	C	.	.	S	Bend	trans	-68.6	-41.7	179.8	26.2	-33.1	0	0	0	111.9	R732	P13-R732 PolarHBondContact O-NH1 2.92Å
14	N	92.4	Very high	91.9	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	21%	0.212	S	C	.	.	S	Bend	trans	-109.3	142.6	-175.5	-62.9	-29.5	0	0	0	110.9	V16 N32 T34	N14-V16 PolarHBondContact O-N 3.33Å; N14-N32 HydrophobicContact CB-CB 3.92Å; N14-N32 PolarHBondContact ND2-ND2 3.43Å; N14-T34 HydrophobicContact CB-CG2 4.46Å; N14-T34 PolarHBondContact ND2-OG1 2.99Å
15	P	92	Very high	91.9	Very high	26 Å²	26	45.3 Å²	45.3	17%	0.169	22%	0.224	C	C	.	.			trans	-56.6	134.8	171.8	-24.2	32.2	0	0	0	112.4	N32 T33 L731 R732	P15-N32 CarbonylContact O-C 3.52Å; P15-N32 VanDerWaalsContact O-CA 3.28Å; P15-N32 WeakPolarHBondContact O-CA 3.28Å; P15-N32 WeakPolarHBondContact O-CB 3.38Å; P15-T33 HydrophobicContact CB-CG2 3.89Å; P15-T33 WeakPolarHBondContact CD-OG1 3.32Å; P15-T33 HydrophobicContact CG-CG2 4.49Å; P15-T33 PolarHBondContact O-N 3.21Å; P15-T33 PolarHBondContact O-OG1 3.25Å; P15-L731 CarbonylContact C-O 3.57Å; P15-L731 WeakPolarHBondContact CA-O 3.39Å; P15-L731 HydrophobicContact CB-CB 3.96Å; P15-R732 HydrophobicContact CG-CG 4.29Å
16	V	91.9	Very high	91.9	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.1	175.6	-173.2	0	0	0	0	109.7	L12 N14 C18 L30 A31 F564 L727 L731 I734	L12-V16 HydrophobicContact CD1-CG2 3.49Å; L12-V16 VanDerWaalsContact CD1-CG2 3.49Å; N14-V16 PolarHBondContact O-N 3.33Å; V16-C18 WeakPolarHBondContact CG1-O 3.34Å; V16-L30 HydrophobicContact CG1-CB 4.32Å; V16-L30 HydrophobicContact CG1-CD2 4.35Å; V16-A31 CarbonylContact C-O 3.49Å; V16-A31 WeakPolarHBondContact CG1-O 3.33Å; V16-F564 HydrophobicContact CG1-CZ 3.91Å; V16-F564 WeakPolarHBondContact O-CE2 3.31Å; V16-L727 HydrophobicContact CB-CD1 4.48Å; V16-L727 HydrophobicContact CB-CD2 4.25Å; V16-L727 HydrophobicContact CG2-CD1 4.38Å; V16-L731 PolarHBondContact N-O 3.48Å; V16-I734 HydrophobicContact CG2-CD1 4.32Å
17	K	89	Confident	92.1	Very high	46 Å²	46	41.6 Å²	41.6	20%	0.2	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-34.2	175.1	-91.6	-171.5	168.5	-172.8	0	113.1	A31 T33 E60 P561 F564	K17-A31 PolarHBondContact N-O 3.28Å; K17-T33 HydrophobicContact CD-CG2 4.36Å; K17-T33 HydrophobicContact CG-CG2 3.84Å; K17-E60 IonicContact NZ-OE1 3.17Å; K17-E60 PolarHBondContact NZ-OE1 2.93Å; K17-P561 HydrophobicContact CG-CG 4.45Å; K17-F564 WeakPolarHBondContact O-CD2 3.39Å; K17-F564 WeakPolarHBondContact O-CE2 3.24Å
18	C	88.3	Confident	92.3	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.8	175.2	61.7	0	0	0	0	111.4	V16 L30 A31 L64 L563	V16-C18 WeakPolarHBondContact CG1-O 3.34Å; C18-L30 WeakPolarHBondContact O-CA 3.48Å; C18-A31 PolarHBondContact N-O 2.97Å; C18-A31 PolarHBondContact O-N 3.19Å; C18-A31 WeakPolarHBondContact SG-CB 3.43Å; C18-L64 HydrophobicContact CB-CD2 4.42Å; C18-L563 HydrophobicContact CB-CB 4.18Å; C18-L563 HydrophobicContact CB-CD1 3.8Å; C18-L563 HydrophobicContact CB-CG 4.48Å
19	M	92.1	Very high	92.5	Very high	21 Å²	21	39.2 Å²	39.2	10%	0.103	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.8	172.3	76.4	-158.3	158.5	0	0	111.5	I28 A29 L30 F564 F714 A716 L727	M19-I28 HydrophobicContact CB-CD1 4.29Å; M19-I28 HydrophobicContact CG-CD1 4.45Å; M19-A29 CarbonylContact C-O 3.51Å; M19-A29 VanDerWaalsContact CA-O 3.28Å; M19-A29 WeakPolarHBondContact CA-O 3.29Å; M19-L30 HydrophobicContact CB-CD2 3.41Å; M19-L30 VanDerWaalsContact CB-CD2 3.41Å; M19-F564 HydrophobicContact CB-CE1 4.24Å; M19-F564 HydrophobicContact CE-CD1 4.18Å; M19-F564 HydrophobicContact CE-CE1 3.77Å; M19-F564 HydrophobicContact CG-CE1 3.76Å; M19-F564 HydrophobicContact CG-CZ 4.47Å; M19-F564 HydrophobicContact SD-CE1 3.99Å; M19-F714 HydrophobicContact CE-CB 4.16Å; M19-A716 HydrophobicContact CE-CB 3.74Å; M19-A716 HydrophobicContact CG-CB 3.53Å; M19-A716 HydrophobicContact SD-CB 4.02Å; M19-L727 HydrophobicContact CE-CB 3.95Å; M19-L727 HydrophobicContact SD-CB 4.23Å
20	A	92.8	Very high	92.6	Very high	24 Å²	24	35.1 Å²	35.1	20%	0.198	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	130.5	176.8	0	0	0	0	0	111.2	A29 L64 W66	A20-A29 PolarHBondContact N-O 2.98Å; A20-A29 PolarHBondContact O-N 3.49Å; A20-L64 HydrophobicContact CB-CD1 4.31Å; A20-L64 HydrophobicContact CB-CD2 3.72Å; A20-L64 HydrophobicContact CB-CG 3.8Å; A20-W66 PolarHBondContact O-NE1 2.99Å
21	W	94.8	Very high	92.6	Very high	19 Å²	19	31.6 Å²	31.6	7%	0.072	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.7	172.1	-78.3	108	0	0	0	111.2	L27 I28 L42 W66 A716 N718 V723 C725 V736	W21-L27 VanDerWaalsContact CE3-O 3.28Å; W21-I28 HydrophobicContact CD2-CB 3.95Å; W21-I28 HydrophobicContact CD2-CD1 4.14Å; W21-I28 HydrophobicContact CD2-CG1 4.18Å; W21-I28 HydrophobicContact CE3-CB 3.68Å; W21-I28 HydrophobicContact CE3-CG1 4.42Å; W21-I28 HydrophobicContact CH2-CB 4.05Å; W21-I28 HydrophobicContact CH2-CG2 4.2Å; W21-I28 HydrophobicContact CZ2-CB 4.34Å; W21-I28 HydrophobicContact CZ2-CD1 4.04Å; W21-I28 HydrophobicContact CZ3-CB 3.72Å; W21-I28 HydrophobicContact CZ3-CG2 4.18Å; W21-L42 HydrophobicContact CH2-CD1 3.82Å; W21-W66 VanDerWaalsContact O-CD1 3.25Å; W21-A716 PolarHBondContact NE1-O 2.67Å; W21-N718 HydrophobicContact CB-CB 3.9Å; W21-N718 HydrophobicContact CG-CB 4.15Å; W21-V723 HydrophobicContact CD2-CG2 3.78Å; W21-V723 HydrophobicContact CE3-CG2 3.87Å; W21-V723 HydrophobicContact CG-CG2 4.39Å; W21-V723 HydrophobicContact CH2-CB 4.33Å; W21-V723 HydrophobicContact CH2-CG2 4.09Å; W21-V723 HydrophobicContact CZ2-CB 4.15Å; W21-V723 HydrophobicContact CZ2-CG2 3.94Å; W21-V723 HydrophobicContact CZ3-CG2 4.04Å; W21-C725 HydrophobicContact CZ2-CB 3.73Å; W21-V736 HydrophobicContact CH2-CG1 3.87Å; W21-V736 HydrophobicContact CZ2-CG1 3.79Å
22	S	94.6	Very high	92.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.			trans	-63	135.5	167.2	-179.8	0	0	0	0	109.2	K24 R25 L27 N718	S22-K24 VanDerWaalsContact C-N 3.3Å; S22-K24 PolarHBondContact O-N 2.85Å; S22-R25 WeakPolarHBondContact CB-O 3.15Å; S22-R25 PolarHBondContact OG-N 3.42Å; S22-L27 VanDerWaalsContact CB-O 3.32Å; S22-L27 WeakPolarHBondContact CB-O 3.36Å; S22-L27 PolarHBondContact N-O 3.17Å; S22-N718 PolarHBondContact O-ND2 3.4Å
23	P	91.6	Very high	92.4	Very high	34 Å²	34	29.7 Å²	29.7	22%	0.221	16%	0.158	C	C	.	.	S	Bend	trans	-67	-30.2	-177.1	23.3	-32.7	0	0	0	113	W66 R67 P68 N718	P23-W66 HydrophobicContact CG-CB 4.24Å; P23-R67 WeakPolarHBondContact CG-O 3.48Å; P23-P68 WeakPolarHBondContact CG-O 3.41Å; P23-N718 PolarHBondContact O-ND2 2.92Å
24	K	90	Very high	92.3	Very high	98 Å²	98	28.9 Å²	28.9	43%	0.426	15%	0.152	S	C	.	.	S	Bend	trans	-116.9	-21.4	-174.4	-65.4	-170.2	-178.5	175.8	0	114.8	S22 P68 R721	S22-K24 VanDerWaalsContact C-N 3.3Å; S22-K24 PolarHBondContact O-N 2.85Å; K24-P68 VanDerWaalsContact CE-O 3.31Å; K24-P68 WeakPolarHBondContact CE-O 3.33Å; K24-R721 WeakPolarHBondContact O-CD 3.31Å; K24-R721 PolarHBondContact O-NH1 3.2Å
25	R	91.1	Very high	92.1	Very high	72 Å²	72	27 Å²	27	27%	0.272	14%	0.143	S	C	.	.	S	Bend	trans	-113.5	158.9	-173.4	-58.7	178.6	176	-164.7	-5.3	111.1	S22 L27 E89	S22-R25 WeakPolarHBondContact CB-O 3.15Å; S22-R25 PolarHBondContact OG-N 3.42Å; R25-L27 HydrophobicContact CB-CB 4.42Å; R25-L27 HydrophobicContact CB-CD1 3.9Å; R25-L27 HydrophobicContact CB-CG 4.06Å; R25-L27 PolarHBondContact O-N 3.45Å; R25-E89 IonicContact CZ-OE1 3.19Å; R25-E89 IonicContact NH1-OE1 3.17Å; R25-E89 PolarHBondContact NH1-OE1 3.29Å; R25-E89 IonicContact NH2-OE1 3.07Å; R25-E89 PolarHBondContact NH2-OE1 3.31Å
26	D	91	Very high	92.1	Very high	57 Å²	57	27.2 Å²	27.2	31%	0.305	14%	0.142	S	C	.	.	S	Bend	trans	-79.9	53.9	174	-64.1	-27.6	0	0	0	112	L42 R721	D26-L42 HydrophobicContact CB-CB 3.88Å; D26-L42 HydrophobicContact CB-CD2 4.34Å; D26-L42 PolarHBondContact O-N 3.02Å; D26-L42 VanDerWaalsContact O-N 3.1Å; D26-R721 IonicContact OD1-CZ 3.69Å; D26-R721 IonicContact OD1-NE 3.25Å; D26-R721 PolarHBondContact OD1-NE 3.25Å; D26-R721 IonicContact OD1-NH2 3.2Å; D26-R721 PolarHBondContact OD1-NH2 2.84Å; D26-R721 IonicContact OD2-CZ 2.78Å; D26-R721 IonicContact OD2-NH2 3.66Å; D26-R721 PolarHBondContact OD2-NH2 3.34Å
27	L	95	Very high	92.2	Very high	21 Å²	21	27.2 Å²	27.2	11%	0.11	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139	-175.2	-64.5	171	0	0	0	109.8	W21 S22 R25 L39 H40 R41 V48 W66 V88	W21-L27 VanDerWaalsContact CE3-O 3.28Å; S22-L27 VanDerWaalsContact CB-O 3.32Å; S22-L27 WeakPolarHBondContact CB-O 3.36Å; S22-L27 PolarHBondContact N-O 3.17Å; R25-L27 HydrophobicContact CB-CB 4.42Å; R25-L27 HydrophobicContact CB-CD1 3.9Å; R25-L27 HydrophobicContact CB-CG 4.06Å; R25-L27 PolarHBondContact O-N 3.45Å; L27-L39 HydrophobicContact CB-CD1 4.24Å; L27-L39 HydrophobicContact CD1-CD2 4.31Å; L27-L39 HydrophobicContact CD2-CD2 4.42Å; L27-H40 CarbonylContact C-O 3.6Å; L27-H40 WeakPolarHBondContact CA-O 3.43Å; L27-R41 HydrophobicContact CD2-CG 3.61Å; L27-V48 HydrophobicContact CD2-CG2 4.01Å; L27-W66 HydrophobicContact CB-CH2 4.27Å; L27-V88 HydrophobicContact CD1-CG1 4.01Å
28	I	95.4	Very high	92.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.2	173.4	-171.7	171.4	0	0	0	109.9	M19 W21 L30 H40 F45 C725	M19-I28 HydrophobicContact CB-CD1 4.29Å; M19-I28 HydrophobicContact CG-CD1 4.45Å; W21-I28 HydrophobicContact CD2-CB 3.95Å; W21-I28 HydrophobicContact CD2-CD1 4.14Å; W21-I28 HydrophobicContact CD2-CG1 4.18Å; W21-I28 HydrophobicContact CE3-CB 3.68Å; W21-I28 HydrophobicContact CE3-CG1 4.42Å; W21-I28 HydrophobicContact CH2-CB 4.05Å; W21-I28 HydrophobicContact CH2-CG2 4.2Å; W21-I28 HydrophobicContact CZ2-CB 4.34Å; W21-I28 HydrophobicContact CZ2-CD1 4.04Å; W21-I28 HydrophobicContact CZ3-CB 3.72Å; W21-I28 HydrophobicContact CZ3-CG2 4.18Å; I28-L30 HydrophobicContact CD1-CD2 4.09Å; I28-L30 HydrophobicContact CG1-CD2 4.12Å; I28-H40 HydrophobicContact CG2-CB 3.93Å; I28-H40 PolarHBondContact N-O 3.45Å; I28-H40 PolarHBondContact O-N 3.46Å; I28-F45 HydrophobicContact CG2-CE2 3.71Å; I28-F45 HydrophobicContact CG2-CZ 4.27Å; I28-C725 HydrophobicContact CD1-CB 3.65Å
29	A	95.9	Very high	92.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.8	172	0	0	0	0	0	109.7	M19 A20 L38 L39 L64 W66 L73	M19-A29 CarbonylContact C-O 3.51Å; M19-A29 VanDerWaalsContact CA-O 3.28Å; M19-A29 WeakPolarHBondContact CA-O 3.29Å; A20-A29 PolarHBondContact N-O 2.98Å; A20-A29 PolarHBondContact O-N 3.49Å; A29-L38 CarbonylContact C-O 3.6Å; A29-L38 WeakPolarHBondContact CA-O 3.27Å; A29-L39 HydrophobicContact CB-CD1 4.18Å; A29-L64 HydrophobicContact CB-CD1 3.8Å; A29-L64 HydrophobicContact CB-CD2 4.1Å; A29-W66 HydrophobicContact CB-CZ2 3.75Å; A29-L73 HydrophobicContact CB-CD1 4.07Å; A29-L73 HydrophobicContact CB-CD2 3.76Å
30	L	94.6	Very high	93	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.7	178.2	-49.6	167.6	0	0	0	108.4	L12 V16 C18 M19 I28 L38 H40 F45 I734	L12-L30 HydrophobicContact CD1-CD1 3.96Å; V16-L30 HydrophobicContact CG1-CB 4.32Å; V16-L30 HydrophobicContact CG1-CD2 4.35Å; C18-L30 WeakPolarHBondContact O-CA 3.48Å; M19-L30 HydrophobicContact CB-CD2 3.41Å; M19-L30 VanDerWaalsContact CB-CD2 3.41Å; I28-L30 HydrophobicContact CD1-CD2 4.09Å; I28-L30 HydrophobicContact CG1-CD2 4.12Å; L30-L38 HydrophobicContact CB-CB 4.29Å; L30-L38 PolarHBondContact N-O 3.47Å; L30-L38 PolarHBondContact O-N 3.48Å; L30-H40 WeakPolarHBondContact CD1-ND1 3.25Å; L30-F45 HydrophobicContact CD1-CE1 4Å; L30-F45 HydrophobicContact CD1-CZ 3.7Å; L30-I734 HydrophobicContact CD1-CD1 4.06Å; L30-I734 HydrophobicContact CD2-CD1 4.28Å
31	A	93.5	Very high	93.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.9	164.9	0	0	0	0	0	109.6	V16 K17 C18 L37 I61	V16-A31 CarbonylContact C-O 3.49Å; V16-A31 WeakPolarHBondContact CG1-O 3.33Å; K17-A31 PolarHBondContact N-O 3.28Å; C18-A31 PolarHBondContact N-O 2.97Å; C18-A31 PolarHBondContact O-N 3.19Å; C18-A31 WeakPolarHBondContact SG-CB 3.43Å; A31-L37 HydrophobicContact CB-CD1 4.3Å; A31-I61 HydrophobicContact CB-CB 4.03Å; A31-I61 HydrophobicContact CB-CD1 3.94Å; A31-I61 HydrophobicContact CB-CG2 3.72Å
32	N	92.3	Very high	92.8	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	171	179.7	68.5	20.1	0	0	0	112.7	N14 P15 T34 G35 E36	N14-N32 HydrophobicContact CB-CB 3.92Å; N14-N32 PolarHBondContact ND2-ND2 3.43Å; P15-N32 CarbonylContact O-C 3.52Å; P15-N32 VanDerWaalsContact O-CA 3.28Å; P15-N32 WeakPolarHBondContact O-CA 3.28Å; P15-N32 WeakPolarHBondContact O-CB 3.38Å; N32-T34 PolarHBondContact ND2-OG1 3.26Å; N32-T34 PolarHBondContact O-N 3.46Å; N32-T34 PolarHBondContact OD1-N 3.11Å; N32-T34 VanDerWaalsContact OD1-N 3.13Å; N32-T34 PolarHBondContact OD1-OG1 3.39Å; N32-G35 PolarHBondContact O-N 3.22Å; N32-G35 VanDerWaalsContact O-N 3.15Å; N32-G35 PolarHBondContact OD1-N 3.26Å; N32-E36 PolarHBondContact N-O 3.03Å; N32-E36 VanDerWaalsContact N-O 3.12Å; N32-E36 PolarHBondContact ND2-OE2 3.18Å; N32-E36 WeakPolarHBondContact OD1-CB 3.49Å; N32-E36 PolarHBondContact OD1-N 3.41Å; N32-E36 PolarHBondContact OD1-O 3.14Å
33	T	89.9	Confident	92.3	Very high	65 Å²	65	32.2 Å²	32.2	40%	0.399	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.3	177.7	44.5	0	0	0	0	114.4	P15 K17 G35	P15-T33 HydrophobicContact CB-CG2 3.89Å; P15-T33 WeakPolarHBondContact CD-OG1 3.32Å; P15-T33 HydrophobicContact CG-CG2 4.49Å; P15-T33 PolarHBondContact O-N 3.21Å; P15-T33 PolarHBondContact O-OG1 3.25Å; K17-T33 HydrophobicContact CD-CG2 4.36Å; K17-T33 HydrophobicContact CG-CG2 3.84Å; T33-G35 VanDerWaalsContact C-N 3.34Å
34	T	89.8	Confident	92	Very high	65 Å²	65	34.8 Å²	34.8	40%	0.399	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.8	175.9	57.8	0	0	0	0	113.3	N14 N32	N14-T34 HydrophobicContact CB-CG2 4.46Å; N14-T34 PolarHBondContact ND2-OG1 2.99Å; N32-T34 PolarHBondContact ND2-OG1 3.26Å; N32-T34 PolarHBondContact O-N 3.46Å; N32-T34 PolarHBondContact OD1-N 3.11Å; N32-T34 VanDerWaalsContact OD1-N 3.13Å; N32-T34 PolarHBondContact OD1-OG1 3.39Å
35	G	88.8	Confident	92	Very high	6 Å²	6	30.1 Å²	30.1	6%	0.062	17%	0.166	C	C	.	.	S	Bend	trans	84.4	10.7	-179.3	0	0	0	0	0	114.9	N32 T33 K59 I61	N32-G35 PolarHBondContact O-N 3.22Å; N32-G35 VanDerWaalsContact O-N 3.15Å; N32-G35 PolarHBondContact OD1-N 3.26Å; T33-G35 VanDerWaalsContact C-N 3.34Å; G35-K59 WeakPolarHBondContact CA-O 3.5Å; G35-I61 WeakPolarHBondContact O-CD1 3.42Å
36	E	92.1	Very high	92	Very high	32 Å²	32	32 Å²	32	15%	0.15	18%	0.178	C	C	.	.			trans	-90.7	131.6	178.3	178.2	-168	-156.5	0	0	109.6	N32 L38 S50 L51	N32-E36 PolarHBondContact N-O 3.03Å; N32-E36 VanDerWaalsContact N-O 3.12Å; N32-E36 PolarHBondContact ND2-OE2 3.18Å; N32-E36 WeakPolarHBondContact OD1-CB 3.49Å; N32-E36 PolarHBondContact OD1-N 3.41Å; N32-E36 PolarHBondContact OD1-O 3.14Å; E36-L38 VanDerWaalsContact CD-CD2 3.5Å; E36-L38 HydrophobicContact CG-CD2 3.79Å; E36-L38 HydrophobicContact CG-CG 4.32Å; E36-S50 WeakPolarHBondContact OE1-CB 3.48Å; E36-L51 WeakPolarHBondContact CA-O 3.4Å
37	L	94.3	Very high	92.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.6	175.7	-176.1	68.1	0	0	0	109.2	A31 W49 S50 L51 I61 L73 F75	A31-L37 HydrophobicContact CB-CD1 4.3Å; L37-W49 HydrophobicContact CD2-CH2 4.1Å; L37-W49 HydrophobicContact CD2-CZ3 4.3Å; L37-W49 HydrophobicContact CG-CH2 4.29Å; L37-W49 HydrophobicContact CG-CZ3 4.19Å; L37-S50 CarbonylContact O-C 3.52Å; L37-S50 WeakPolarHBondContact O-CA 3.5Å; L37-L51 HydrophobicContact CB-CB 4.29Å; L37-L51 HydrophobicContact CD2-CD2 4.5Å; L37-L51 PolarHBondContact N-O 3.43Å; L37-L51 PolarHBondContact O-N 3.2Å; L37-I61 HydrophobicContact CB-CD1 4.04Å; L37-L73 HydrophobicContact CD1-CD2 4.26Å; L37-L73 HydrophobicContact CD2-CD2 3.78Å; L37-L73 HydrophobicContact CG-CD2 4.29Å; L37-F75 HydrophobicContact CD2-CD1 3.57Å; L37-F75 HydrophobicContact CD2-CE1 3.66Å; L37-F75 HydrophobicContact CD2-CG 4.24Å; L37-F75 HydrophobicContact CD2-CZ 4.4Å
38	L	94.9	Very high	92.1	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.4	-174.6	-56.8	171.7	0	0	0	110	A29 L30 E36	A29-L38 CarbonylContact C-O 3.6Å; A29-L38 WeakPolarHBondContact CA-O 3.27Å; L30-L38 HydrophobicContact CB-CB 4.29Å; L30-L38 PolarHBondContact N-O 3.47Å; L30-L38 PolarHBondContact O-N 3.48Å; E36-L38 VanDerWaalsContact CD-CD2 3.5Å; E36-L38 HydrophobicContact CG-CD2 3.79Å; E36-L38 HydrophobicContact CG-CG 4.32Å
39	L	96.1	Very high	92	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.6	171.2	-168	72.9	0	0	0	110.2	L27 A29 V48 W49 W66 V88	L27-L39 HydrophobicContact CB-CD1 4.24Å; L27-L39 HydrophobicContact CD1-CD2 4.31Å; L27-L39 HydrophobicContact CD2-CD2 4.42Å; A29-L39 HydrophobicContact CB-CD1 4.18Å; L39-V48 HydrophobicContact CB-CB 4.38Å; L39-V48 HydrophobicContact CD2-CB 4.24Å; L39-V48 HydrophobicContact CD2-CG1 4.39Å; L39-V48 HydrophobicContact CD2-CG2 4.47Å; L39-V48 HydrophobicContact CG-CB 4.42Å; L39-V48 HydrophobicContact CG-CG2 4.49Å; L39-V48 PolarHBondContact O-N 3.37Å; L39-W49 HydrophobicContact CB-CD2 3.79Å; L39-W49 HydrophobicContact CB-CE3 4.2Å; L39-W49 HydrophobicContact CB-CG 4.34Å; L39-W49 HydrophobicContact CB-CH2 4.12Å; L39-W49 HydrophobicContact CB-CZ2 3.72Å; L39-W49 HydrophobicContact CB-CZ3 4.35Å; L39-W49 HydrophobicContact CD2-CD2 4.49Å; L39-W49 HydrophobicContact CD2-CZ2 3.79Å; L39-W49 VanDerWaalsContact CD2-NE1 3.26Å; L39-W49 HydrophobicContact CG-CZ2 4.23Å; L39-W49 PolarHBondContact N-O 3.45Å; L39-W49 VanDerWaalsContact N-O 3.11Å; L39-W66 HydrophobicContact CD1-CH2 3.6Å; L39-W66 HydrophobicContact CD1-CZ2 3.6Å; L39-V88 HydrophobicContact CD2-CG1 3.77Å
40	H	95	Very high	91.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.2	178.7	-65.9	80.2	0	0	0	111.5	L27 I28 L30 F45 Q46 R47	L27-H40 CarbonylContact C-O 3.6Å; L27-H40 WeakPolarHBondContact CA-O 3.43Å; I28-H40 HydrophobicContact CG2-CB 3.93Å; I28-H40 PolarHBondContact N-O 3.45Å; I28-H40 PolarHBondContact O-N 3.46Å; L30-H40 WeakPolarHBondContact CD1-ND1 3.25Å; H40-F45 HydrophobicContact CB-CD2 4.34Å; H40-F45 HydrophobicContact CB-CE1 4.41Å; H40-F45 HydrophobicContact CB-CE2 4.26Å; H40-F45 HydrophobicContact CB-CZ 4.3Å; H40-F45 AromaticContact CD2-CD1 3.85Å; H40-F45 AromaticContact CD2-CE1 3.92Å; H40-F45 PolarHBondContact CD2-O 3.14Å; H40-F45 AromaticContact CG-CE1 3.99Å; H40-Q46 CarbonylContact C-O 3.59Å; H40-Q46 VanDerWaalsContact CA-O 3.24Å; H40-Q46 WeakPolarHBondContact CA-O 3.33Å; H40-R47 VanDerWaalsContact CD2-CA 3.46Å; H40-R47 WeakPolarHBondContact CD2-CA 3.48Å
41	R	93.4	Very high	91.8	Very high	135 Å²	135	41.3 Å²	41.3	51%	0.509	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	154.8	168.1	-77.8	173.6	-175.9	-172.3	1.3	110.5	L27 F45 Q46 V48	L27-R41 HydrophobicContact CD2-CG 3.61Å; R41-F45 VanDerWaalsContact O-CA 3.32Å; R41-F45 WeakPolarHBondContact O-CA 3.5Å; R41-Q46 PolarHBondContact N-O 2.89Å; R41-V48 HydrophobicContact CG-CG2 3.65Å
42	L	88.4	Confident	91.6	Very high	18 Å²	18	44.4 Å²	44.4	9%	0.094	25%	0.25	C	S	.	.	S	Bend	trans	-57.6	-54.4	173.1	177.4	65.7	0	0	0	112.4	V7 W21 D26 S44 F45 V723 V736	V7-L42 HydrophobicContact CG1-CG 4.29Å; W21-L42 HydrophobicContact CH2-CD1 3.82Å; D26-L42 HydrophobicContact CB-CB 3.88Å; D26-L42 HydrophobicContact CB-CD2 4.34Å; D26-L42 PolarHBondContact O-N 3.02Å; D26-L42 VanDerWaalsContact O-N 3.1Å; L42-S44 PolarHBondContact O-N 2.74Å; L42-F45 PolarHBondContact O-N 3.26Å; L42-V723 HydrophobicContact CD1-CB 4.2Å; L42-V723 HydrophobicContact CD1-CG1 3.68Å; L42-V723 HydrophobicContact CD2-CG1 3.52Å; L42-V723 HydrophobicContact CG-CG1 4.22Å; L42-V736 HydrophobicContact CD1-CG1 3.33Å
43	A	85.6	Confident	91.4	Very high	61 Å²	61	46.6 Å²	46.6	50%	0.504	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-58	119.8	-177.7	0	0	0	0	0	110.8	F45 Q46	A43-F45 PolarHBondContact O-N 2.8Å; A43-Q46 PolarHBondContact O-N 3.43Å
44	S	84.1	Confident	91.1	Very high	88 Å²	88	45.8 Å²	45.8	62%	0.615	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	50.7	16.6	-178.6	65.7	0	0	0	0	116.1	V7 L42 Q46	V7-S44 PolarHBondContact O-N 3.42Å; L42-S44 PolarHBondContact O-N 2.74Å; S44-Q46 PolarHBondContact O-N 2.99Å
45	F	90.3	Very high	90.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	50.8	43.8	-174.4	-150.5	-111	0	0	0	113.3	K10 L12 I28 L30 H40 R41 L42 A43 I734 V736	K10-F45 HydrophobicContact CB-CD1 3.86Å; K10-F45 HydrophobicContact CD-CD1 3.8Å; K10-F45 HydrophobicContact CG-CD1 4.47Å; L12-F45 HydrophobicContact CD2-CE1 4.43Å; I28-F45 HydrophobicContact CG2-CE2 3.71Å; I28-F45 HydrophobicContact CG2-CZ 4.27Å; L30-F45 HydrophobicContact CD1-CE1 4Å; L30-F45 HydrophobicContact CD1-CZ 3.7Å; H40-F45 HydrophobicContact CB-CD2 4.34Å; H40-F45 HydrophobicContact CB-CE1 4.41Å; H40-F45 HydrophobicContact CB-CE2 4.26Å; H40-F45 HydrophobicContact CB-CZ 4.3Å; H40-F45 AromaticContact CD2-CD1 3.85Å; H40-F45 AromaticContact CD2-CE1 3.92Å; H40-F45 PolarHBondContact CD2-O 3.14Å; H40-F45 AromaticContact CG-CE1 3.99Å; R41-F45 VanDerWaalsContact O-CA 3.32Å; R41-F45 WeakPolarHBondContact O-CA 3.5Å; L42-F45 PolarHBondContact O-N 3.26Å; A43-F45 PolarHBondContact O-N 2.8Å; F45-I734 HydrophobicContact CE1-CB 4.42Å; F45-I734 HydrophobicContact CE1-CD1 3.97Å; F45-I734 HydrophobicContact CE1-CG2 4.18Å; F45-I734 HydrophobicContact CE2-CG2 3.91Å; F45-I734 HydrophobicContact CZ-CB 4.33Å; F45-I734 HydrophobicContact CZ-CD1 3.69Å; F45-I734 HydrophobicContact CZ-CG2 3.7Å; F45-V736 HydrophobicContact CD2-CG2 3.41Å; F45-V736 VanDerWaalsContact CD2-CG2 3.41Å; F45-V736 HydrophobicContact CE2-CG2 3.56Å; F45-V736 HydrophobicContact CG-CG2 4.37Å
46	Q	91.1	Very high	89.5	Confident	112 Å²	112	57.4 Å²	57.4	52%	0.523	31%	0.305	S	S	.	.			trans	-72.3	133.9	-179.9	-170.2	-177.6	5.6	0	0	111.2	H40 R41 A43 S44	H40-Q46 CarbonylContact C-O 3.59Å; H40-Q46 VanDerWaalsContact CA-O 3.24Å; H40-Q46 WeakPolarHBondContact CA-O 3.33Å; R41-Q46 PolarHBondContact N-O 2.89Å; A43-Q46 PolarHBondContact O-N 3.43Å; S44-Q46 PolarHBondContact O-N 2.99Å
47	R	93.6	Very high	88.7	Confident	93 Å²	93	56.2 Å²	56.2	35%	0.351	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.3	174.8	-171.4	-175.3	-65	-174.4	0	109.9	H40	H40-R47 VanDerWaalsContact CD2-CA 3.46Å; H40-R47 WeakPolarHBondContact CD2-CA 3.48Å
48	V	94.2	Very high	88.1	Confident	61 Å²	61	56.5 Å²	56.5	37%	0.37	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-54.7	173.8	-174.4	0	0	0	0	109.9	L27 L39 R41	L27-V48 HydrophobicContact CD2-CG2 4.01Å; L39-V48 HydrophobicContact CB-CB 4.38Å; L39-V48 HydrophobicContact CD2-CB 4.24Å; L39-V48 HydrophobicContact CD2-CG1 4.39Å; L39-V48 HydrophobicContact CD2-CG2 4.47Å; L39-V48 HydrophobicContact CG-CB 4.42Å; L39-V48 HydrophobicContact CG-CG2 4.49Å; L39-V48 PolarHBondContact O-N 3.37Å; R41-V48 HydrophobicContact CG-CG2 3.65Å
49	W	95.1	Very high	87.7	Confident	29 Å²	29	63.4 Å²	63.4	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	168.2	176.8	52.2	-110.7	0	0	0	110.6	L37 L39 L51 L73 V88 A91	L37-W49 HydrophobicContact CD2-CH2 4.1Å; L37-W49 HydrophobicContact CD2-CZ3 4.3Å; L37-W49 HydrophobicContact CG-CH2 4.29Å; L37-W49 HydrophobicContact CG-CZ3 4.19Å; L39-W49 HydrophobicContact CB-CD2 3.79Å; L39-W49 HydrophobicContact CB-CE3 4.2Å; L39-W49 HydrophobicContact CB-CG 4.34Å; L39-W49 HydrophobicContact CB-CH2 4.12Å; L39-W49 HydrophobicContact CB-CZ2 3.72Å; L39-W49 HydrophobicContact CB-CZ3 4.35Å; L39-W49 HydrophobicContact CD2-CD2 4.49Å; L39-W49 HydrophobicContact CD2-CZ2 3.79Å; L39-W49 VanDerWaalsContact CD2-NE1 3.26Å; L39-W49 HydrophobicContact CG-CZ2 4.23Å; L39-W49 PolarHBondContact N-O 3.45Å; L39-W49 VanDerWaalsContact N-O 3.11Å; W49-L51 HydrophobicContact CE3-CB 4.23Å; W49-L51 HydrophobicContact CZ3-CB 3.84Å; W49-L73 HydrophobicContact CH2-CD2 4.35Å; W49-V88 PolarHBondContact NE1-O 3.5Å; W49-A91 HydrophobicContact CB-CB 4.23Å; W49-A91 HydrophobicContact CD2-CB 3.47Å; W49-A91 VanDerWaalsContact CD2-CB 3.47Å; W49-A91 HydrophobicContact CE3-CB 3.69Å; W49-A91 HydrophobicContact CG-CB 3.73Å; W49-A91 HydrophobicContact CZ2-CB 4.31Å; W49-A91 HydrophobicContact CZ3-CB 4.22Å
50	S	93.1	Very high	87.4	Confident	55 Å²	55	67.6 Å²	67.6	39%	0.385	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132	171	51.9	0	0	0	0	110.1	E36 L37	E36-S50 WeakPolarHBondContact OE1-CB 3.48Å; L37-S50 CarbonylContact O-C 3.52Å; L37-S50 WeakPolarHBondContact O-CA 3.5Å
51	L	91.6	Very high	87.2	Confident	36 Å²	36	67.9 Å²	67.9	19%	0.188	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	107	175.8	-176.1	68.3	0	0	0	108.2	E36 L37 W49 F75	E36-L51 WeakPolarHBondContact CA-O 3.4Å; L37-L51 HydrophobicContact CB-CB 4.29Å; L37-L51 HydrophobicContact CD2-CD2 4.5Å; L37-L51 PolarHBondContact N-O 3.43Å; L37-L51 PolarHBondContact O-N 3.2Å; W49-L51 HydrophobicContact CE3-CB 4.23Å; W49-L51 HydrophobicContact CZ3-CB 3.84Å; L51-F75 HydrophobicContact CD2-CE1 4.27Å; L51-F75 HydrophobicContact CD2-CZ 4.08Å
52	A	89.9	Confident	87.1	Confident	65 Å²	65	62.5 Å²	62.5	54%	0.537	34%	0.336	S	S	.	.			trans	-76	152.5	179.1	0	0	0	0	0	111.3
53	P	88.3	Confident	87.3	Confident	50 Å²	50	61.7 Å²	61.7	33%	0.325	33%	0.332	S	S	.	.			trans	-62	139.5	173.4	27.2	-35.1	0	0	0	110.6	G58 K59	P53-G58 WeakPolarHBondContact CB-O 3.35Å; P53-K59 HydrophobicContact CB-CG 4.16Å
54	S	83.2	Confident	87.7	Confident	48 Å²	48	59.7 Å²	59.7	34%	0.336	31%	0.313	S	S	.	.			trans	-121.2	166.9	177.6	72.2	0	0	0	0	109.9	Y56 T57 G58	S54-Y56 PolarHBondContact O-N 3.45Å; S54-Y56 VanDerWaalsContact O-N 3.14Å; S54-Y56 PolarHBondContact OG-N 2.96Å; S54-T57 PolarHBondContact N-OG1 2.66Å; S54-T57 PolarHBondContact O-N 3.35Å; S54-T57 PolarHBondContact OG-N 3.26Å; S54-T57 PolarHBondContact OG-OG1 2.95Å; S54-G58 PolarHBondContact O-N 2.7Å; S54-G58 VanDerWaalsContact O-N 3.14Å
55	E	74.9	Confident	88.2	Confident	184 Å²	184	56.3 Å²	56.3	86%	0.86	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.7	174.6	-67.8	-173.8	168.8	0	0	112.4
56	Y	71.1	Confident	88.4	Confident	131 Å²	131	56.9 Å²	56.9	51%	0.514	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-27	-179	-56.7	-74.7	0	0	0	114	S54 Q82 T145	S54-Y56 PolarHBondContact O-N 3.45Å; S54-Y56 VanDerWaalsContact O-N 3.14Å; S54-Y56 PolarHBondContact OG-N 2.96Å; Y56-Q82 PolarHBondContact O-OE1 2.69Å; Y56-T145 HydrophobicContact CD1-CG2 3.45Å; Y56-T145 VanDerWaalsContact CD1-CG2 3.45Å; Y56-T145 HydrophobicContact CD2-CG2 3.95Å; Y56-T145 HydrophobicContact CE1-CG2 3.93Å; Y56-T145 HydrophobicContact CE2-CG2 4.38Å; Y56-T145 HydrophobicContact CG-CG2 3.46Å; Y56-T145 VanDerWaalsContact CG-CG2 3.46Å
57	T	74.6	Confident	88.6	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.037	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	3.9	-176.3	54.4	0	0	0	0	113.6	S54 L77 I93	S54-T57 PolarHBondContact N-OG1 2.66Å; S54-T57 PolarHBondContact O-N 3.35Å; S54-T57 PolarHBondContact OG-N 3.26Å; S54-T57 PolarHBondContact OG-OG1 2.95Å; T57-L77 VanDerWaalsContact C-CD1 3.48Å; T57-L77 WeakPolarHBondContact O-CD1 3.4Å; T57-L77 WeakPolarHBondContact O-CD2 3.42Å; T57-L77 WeakPolarHBondContact O-CG 3.4Å; T57-I93 HydrophobicContact CG2-CD1 3.3Å; T57-I93 HydrophobicContact CG2-CG1 4.46Å
58	G	81.7	Confident	88.5	Confident	8 Å²	8	48.4 Å²	48.4	8%	0.082	26%	0.257	C	S	.	.			trans	60.7	-168.8	-178.4	0	0	0	0	0	113.6	P53 S54 D79	P53-G58 WeakPolarHBondContact CB-O 3.35Å; S54-G58 PolarHBondContact O-N 2.7Å; S54-G58 VanDerWaalsContact O-N 3.14Å; G58-D79 WeakPolarHBondContact CA-OD2 3.5Å
59	K	86.4	Confident	88.2	Confident	151 Å²	151	46.4 Å²	46.4	66%	0.657	24%	0.244	S	C	*	.	S	Bend	trans	-124.6	-16.6	-171.6	-65	-176.8	-178.8	178.9	0	114.1	G35 P53 D79	G35-K59 WeakPolarHBondContact CA-O 3.5Å; P53-K59 HydrophobicContact CB-CG 4.16Å; K59-D79 PolarHBondContact N-OD2 3Å
60	E	89.8	Confident	88	Confident	89 Å²	89	45 Å²	45	42%	0.416	24%	0.239	S	C	.	.			trans	-109.7	96.1	-173.7	-179	157.1	-140.8	0	0	112	K17 T62 L77 G78	K17-E60 IonicContact NZ-OE1 3.17Å; K17-E60 PolarHBondContact NZ-OE1 2.93Å; E60-T62 HydrophobicContact CG-CG2 4.03Å; E60-T62 PolarHBondContact O-N 3.38Å; E60-L77 CarbonylContact O-C 3.59Å; E60-L77 VanDerWaalsContact O-CA 3.28Å; E60-L77 WeakPolarHBondContact O-CA 3.43Å; E60-G78 PolarHBondContact O-N 3.49Å
61	I	91.9	Very high	87.9	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.1	171	-60.5	172.9	0	0	0	109.5	A31 G35 L37 F75 S76 L77	A31-I61 HydrophobicContact CB-CB 4.03Å; A31-I61 HydrophobicContact CB-CD1 3.94Å; A31-I61 HydrophobicContact CB-CG2 3.72Å; G35-I61 WeakPolarHBondContact O-CD1 3.42Å; L37-I61 HydrophobicContact CB-CD1 4.04Å; I61-F75 HydrophobicContact CD1-CD2 4.28Å; I61-F75 HydrophobicContact CG1-CD2 4.17Å; I61-F75 HydrophobicContact CG2-CB 4.27Å; I61-S76 VanDerWaalsContact CA-O 3.3Å; I61-S76 WeakPolarHBondContact CA-O 2.95Å; I61-L77 HydrophobicContact CG1-CD2 4.02Å
62	T	90.6	Very high	87.9	Confident	22 Å²	22	44.5 Å²	44.5	14%	0.135	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-24.8	-176.1	54	0	0	0	0	114.3	E60 S76 V103 L563	E60-T62 HydrophobicContact CG-CG2 4.03Å; E60-T62 PolarHBondContact O-N 3.38Å; T62-S76 PolarHBondContact N-O 2.86Å; T62-S76 PolarHBondContact OG1-OG 2.85Å; T62-V103 WeakPolarHBondContact CB-O 3.43Å; T62-V103 PolarHBondContact OG1-O 3.03Å; T62-L563 WeakPolarHBondContact O-CD1 3.37Å; T62-L563 VanDerWaalsContact O-CD2 3.26Å; T62-L563 WeakPolarHBondContact O-CD2 3.35Å; T62-L563 WeakPolarHBondContact O-CG 3.42Å
63	A	91.8	Very high	88.2	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	161.1	172.8	0	0	0	0	0	111.4	F75 S76 M106 L563	A63-F75 CarbonylContact O-C 3.6Å; A63-F75 WeakPolarHBondContact O-CA 3.35Å; A63-F75 WeakPolarHBondContact O-CB 3.26Å; A63-S76 WeakPolarHBondContact CB-OG 3.28Å; A63-S76 PolarHBondContact N-OG 3.5Å; A63-S76 VanDerWaalsContact N-OG 3.1Å; A63-S76 PolarHBondContact O-N 2.95Å; A63-M106 HydrophobicContact CB-CB 4.32Å; A63-M106 HydrophobicContact CB-CG 3.66Å; A63-M106 HydrophobicContact CB-SD 3.73Å; A63-L563 HydrophobicContact CB-CD2 4.03Å
64	L	93.8	Very high	88.5	Confident	19 Å²	19	39 Å²	39	10%	0.099	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	133.5	-172.3	144.5	72.1	0	0	0	108.4	C18 A20 A29 L73 A74	C18-L64 HydrophobicContact CB-CD2 4.42Å; A20-L64 HydrophobicContact CB-CD1 4.31Å; A20-L64 HydrophobicContact CB-CD2 3.72Å; A20-L64 HydrophobicContact CB-CG 3.8Å; A29-L64 HydrophobicContact CB-CD1 3.8Å; A29-L64 HydrophobicContact CB-CD2 4.1Å; L64-L73 HydrophobicContact CD1-CD1 3.36Å; L64-L73 HydrophobicContact CD1-CD2 4.19Å; L64-L73 HydrophobicContact CD1-CG 3.87Å; L64-A74 CarbonylContact C-O 3.49Å; L64-A74 WeakPolarHBondContact CA-O 3.47Å
65	T	95.1	Very high	89.1	Confident	17 Å²	17	37 Å²	37	10%	0.104	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	147.2	169.9	-172.3	0	0	0	0	111.6	A74 M106 W108 L169	T65-A74 HydrophobicContact CG2-CB 3.97Å; T65-A74 PolarHBondContact N-O 2.9Å; T65-A74 PolarHBondContact O-N 3.33Å; T65-M106 HydrophobicContact CG2-CB 3.7Å; T65-M106 HydrophobicContact CG2-CE 4.18Å; T65-W108 HydrophobicContact CG2-CB 4.07Å; T65-W108 HydrophobicContact CG2-CE3 4.24Å; T65-W108 PolarHBondContact OG1-N 3.42Å; T65-L169 HydrophobicContact CG2-CD1 3.5Å; T65-L169 VanDerWaalsContact CG2-CD1 3.5Å
66	W	95.6	Very high	90	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.049	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	142.6	174.8	-73.9	86.8	0	0	0	110.7	A20 W21 P23 L27 A29 L39 L73 V88 W108	A20-W66 PolarHBondContact O-NE1 2.99Å; W21-W66 VanDerWaalsContact O-CD1 3.25Å; P23-W66 HydrophobicContact CG-CB 4.24Å; L27-W66 HydrophobicContact CB-CH2 4.27Å; A29-W66 HydrophobicContact CB-CZ2 3.75Å; L39-W66 HydrophobicContact CD1-CH2 3.6Å; L39-W66 HydrophobicContact CD1-CZ2 3.6Å; W66-L73 HydrophobicContact CD2-CD1 3.47Å; W66-L73 VanDerWaalsContact CD2-CD1 3.47Å; W66-L73 VanDerWaalsContact CE2-CD1 3.43Å; W66-L73 HydrophobicContact CE3-CD1 4Å; W66-L73 HydrophobicContact CG-CD1 3.75Å; W66-L73 HydrophobicContact CH2-CD1 4.4Å; W66-L73 HydrophobicContact CZ2-CD1 3.92Å; W66-L73 HydrophobicContact CZ3-CD1 4.46Å; W66-V88 HydrophobicContact CE3-CG2 4.11Å; W66-V88 HydrophobicContact CH2-CG1 3.75Å; W66-V88 HydrophobicContact CH2-CG2 3.88Å; W66-V88 HydrophobicContact CZ3-CB 4.17Å; W66-V88 HydrophobicContact CZ3-CG1 3.73Å; W66-V88 HydrophobicContact CZ3-CG2 3.33Å; W66-W108 VanDerWaalsContact O-CB 3.3Å; W66-W108 WeakPolarHBondContact O-CB 3.33Å
67	R	93.8	Very high	91	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	11%	0.108	C	C	.	.			trans	-64.4	142.8	162	-168.6	168.5	69.6	176.1	-0	109.2	P23 D69 G70 I72 W108 N159 L160	P23-R67 WeakPolarHBondContact CG-O 3.48Å; R67-D69 WeakPolarHBondContact CB-OD1 3.3Å; R67-D69 WeakPolarHBondContact CG-OD1 3.32Å; R67-D69 IonicContact CZ-OD1 3.71Å; R67-D69 IonicContact CZ-OD2 2.87Å; R67-D69 IonicContact NE-OD1 3.12Å; R67-D69 PolarHBondContact NE-OD1 3.46Å; R67-D69 IonicContact NE-OD2 3.82Å; R67-D69 PolarHBondContact NE-OD2 3.29Å; R67-D69 VanDerWaalsContact NE-OD2 3.12Å; R67-D69 IonicContact NH2-OD1 2.85Å; R67-D69 IonicContact NH2-OD2 2.75Å; R67-D69 PolarHBondContact NH2-OD2 2.95Å; R67-D69 PolarHBondContact O-N 2.8Å; R67-G70 PolarHBondContact O-N 2.88Å; R67-I72 HydrophobicContact CB-CB 4.1Å; R67-I72 WeakPolarHBondContact CB-O 3.13Å; R67-I72 PolarHBondContact N-O 2.84Å; R67-W108 HydrophobicContact CB-CD2 3.94Å; R67-W108 HydrophobicContact CB-CE3 3.82Å; R67-W108 HydrophobicContact CB-CH2 4.07Å; R67-W108 HydrophobicContact CB-CZ2 4.16Å; R67-W108 HydrophobicContact CB-CZ3 3.87Å; R67-W108 HydrophobicContact CG-CD2 4.07Å; R67-W108 HydrophobicContact CG-CE3 4.41Å; R67-W108 HydrophobicContact CG-CH2 4.22Å; R67-W108 HydrophobicContact CG-CZ2 3.84Å; R67-W108 HydrophobicContact CG-CZ3 4.46Å; R67-N159 VanDerWaalsContact CZ-O 3.24Å; R67-N159 PolarHBondContact NH1-O 3.26Å; R67-N159 PolarHBondContact NH2-O 2.91Å; R67-L160 PolarHBondContact NH1-O 3.49Å
68	P	91.6	Very high	91.7	Very high	22 Å²	22	22.5 Å²	22.5	14%	0.143	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-23	-176.8	-32.8	39.5	0	0	0	116.1	P23 K24 G70 E110	P23-P68 WeakPolarHBondContact CG-O 3.41Å; K24-P68 VanDerWaalsContact CE-O 3.31Å; K24-P68 WeakPolarHBondContact CE-O 3.33Å; P68-G70 VanDerWaalsContact C-N 3.34Å; P68-E110 HydrophobicContact CB-CB 3.78Å; P68-E110 HydrophobicContact CG-CB 3.76Å
69	D	89.4	Confident	92	Very high	19 Å²	19	25.9 Å²	25.9	10%	0.102	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.6	175.3	73.2	-15.5	0	0	0	114.3	R67 K71	R67-D69 WeakPolarHBondContact CB-OD1 3.3Å; R67-D69 WeakPolarHBondContact CG-OD1 3.32Å; R67-D69 IonicContact CZ-OD1 3.71Å; R67-D69 IonicContact CZ-OD2 2.87Å; R67-D69 IonicContact NE-OD1 3.12Å; R67-D69 PolarHBondContact NE-OD1 3.46Å; R67-D69 IonicContact NE-OD2 3.82Å; R67-D69 PolarHBondContact NE-OD2 3.29Å; R67-D69 VanDerWaalsContact NE-OD2 3.12Å; R67-D69 IonicContact NH2-OD1 2.85Å; R67-D69 IonicContact NH2-OD2 2.75Å; R67-D69 PolarHBondContact NH2-OD2 2.95Å; R67-D69 PolarHBondContact O-N 2.8Å; D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 PolarHBondContact O-N 3.44Å; D69-K71 PolarHBondContact OD1-N 3.4Å; D69-K71 WeakPolarHBondContact OD2-CB 3.4Å; D69-K71 WeakPolarHBondContact OD2-CD 3.36Å; D69-K71 WeakPolarHBondContact OD2-CG 3.47Å
70	G	90.9	Very high	92.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	73.7	13.8	-179	0	0	0	0	0	115.1	R67 P68	R67-G70 PolarHBondContact O-N 2.88Å; P68-G70 VanDerWaalsContact C-N 3.34Å
71	K	90.3	Very high	92.3	Very high	79 Å²	79	21.6 Å²	21.6	34%	0.343	11%	0.113	S	C	.	.	S	Bend	trans	-95.7	-30	179.9	-62.5	-175.2	-178.6	178.7	0	113.9	D69 V88	D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 PolarHBondContact O-N 3.44Å; D69-K71 PolarHBondContact OD1-N 3.4Å; D69-K71 WeakPolarHBondContact OD2-CB 3.4Å; D69-K71 WeakPolarHBondContact OD2-CD 3.36Å; D69-K71 WeakPolarHBondContact OD2-CG 3.47Å; K71-V88 WeakPolarHBondContact O-CB 3.5Å; K71-V88 WeakPolarHBondContact O-CG2 3.42Å; K71-V88 PolarHBondContact O-N 2.94Å
72	I	92.5	Very high	92.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.3	-179.5	-62.9	-174.6	0	0	0	110.3	R67 L85 L94 W108	R67-I72 HydrophobicContact CB-CB 4.1Å; R67-I72 WeakPolarHBondContact CB-O 3.13Å; R67-I72 PolarHBondContact N-O 2.84Å; I72-L85 HydrophobicContact CG2-CB 4.1Å; I72-L94 HydrophobicContact CD1-CD1 3.9Å; I72-L94 HydrophobicContact CG1-CD1 4.13Å; I72-W108 HydrophobicContact CG2-CH2 4.02Å; I72-W108 HydrophobicContact CG2-CZ3 4.05Å
73	L	94.6	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.7	173.4	-164	62.7	0	0	0	109.3	A29 L37 W49 L64 W66 C86 V88	A29-L73 HydrophobicContact CB-CD1 4.07Å; A29-L73 HydrophobicContact CB-CD2 3.76Å; L37-L73 HydrophobicContact CD1-CD2 4.26Å; L37-L73 HydrophobicContact CD2-CD2 3.78Å; L37-L73 HydrophobicContact CG-CD2 4.29Å; W49-L73 HydrophobicContact CH2-CD2 4.35Å; L64-L73 HydrophobicContact CD1-CD1 3.36Å; L64-L73 HydrophobicContact CD1-CD2 4.19Å; L64-L73 HydrophobicContact CD1-CG 3.87Å; W66-L73 HydrophobicContact CD2-CD1 3.47Å; W66-L73 VanDerWaalsContact CD2-CD1 3.47Å; W66-L73 VanDerWaalsContact CE2-CD1 3.43Å; W66-L73 HydrophobicContact CE3-CD1 4Å; W66-L73 HydrophobicContact CG-CD1 3.75Å; W66-L73 HydrophobicContact CH2-CD1 4.4Å; W66-L73 HydrophobicContact CZ2-CD1 3.92Å; W66-L73 HydrophobicContact CZ3-CD1 4.46Å; L73-C86 PolarHBondContact N-O 2.78Å; L73-C86 PolarHBondContact O-N 3.17Å; L73-V88 HydrophobicContact CB-CG2 4.07Å
74	A	95.4	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.7	170.9	0	0	0	0	0	110.1	L64 T65 V84 L85 M106 W108 L169	L64-A74 CarbonylContact C-O 3.49Å; L64-A74 WeakPolarHBondContact CA-O 3.47Å; T65-A74 HydrophobicContact CG2-CB 3.97Å; T65-A74 PolarHBondContact N-O 2.9Å; T65-A74 PolarHBondContact O-N 3.33Å; A74-V84 WeakPolarHBondContact CA-O 3.4Å; A74-L85 HydrophobicContact CB-CD2 3.53Å; A74-M106 HydrophobicContact CB-CE 3.71Å; A74-W108 HydrophobicContact CB-CE3 3.91Å; A74-W108 HydrophobicContact CB-CZ3 3.6Å; A74-L169 HydrophobicContact CB-CD2 4.23Å
75	F	94.9	Very high	92.4	Very high	5 Å²	5	21.6 Å²	21.6	2%	0.022	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.9	169.7	62.8	-86.5	0	0	0	110.7	L37 L51 I61 A63 L77 V84 C86	L37-F75 HydrophobicContact CD2-CD1 3.57Å; L37-F75 HydrophobicContact CD2-CE1 3.66Å; L37-F75 HydrophobicContact CD2-CG 4.24Å; L37-F75 HydrophobicContact CD2-CZ 4.4Å; L51-F75 HydrophobicContact CD2-CE1 4.27Å; L51-F75 HydrophobicContact CD2-CZ 4.08Å; I61-F75 HydrophobicContact CD1-CD2 4.28Å; I61-F75 HydrophobicContact CG1-CD2 4.17Å; I61-F75 HydrophobicContact CG2-CB 4.27Å; A63-F75 CarbonylContact O-C 3.6Å; A63-F75 WeakPolarHBondContact O-CA 3.35Å; A63-F75 WeakPolarHBondContact O-CB 3.26Å; F75-L77 HydrophobicContact CD2-CD2 4.15Å; F75-L77 HydrophobicContact CD2-CG 4.4Å; F75-L77 HydrophobicContact CE2-CD2 4.02Å; F75-L77 HydrophobicContact CE2-CG 4.31Å; F75-V84 HydrophobicContact CD1-CB 4.3Å; F75-V84 HydrophobicContact CD2-CB 4.23Å; F75-V84 HydrophobicContact CE1-CB 3.82Å; F75-V84 HydrophobicContact CE1-CG1 3.71Å; F75-V84 HydrophobicContact CE2-CB 3.74Å; F75-V84 HydrophobicContact CE2-CG1 4.19Å; F75-V84 HydrophobicContact CE2-CG2 3.99Å; F75-V84 HydrophobicContact CG-CB 4.5Å; F75-V84 HydrophobicContact CZ-CB 3.53Å; F75-V84 HydrophobicContact CZ-CG1 3.48Å; F75-V84 VanDerWaalsContact CZ-CG1 3.48Å; F75-V84 HydrophobicContact CZ-CG2 4.13Å; F75-V84 PolarHBondContact N-O 3.13Å; F75-V84 PolarHBondContact O-N 2.89Å; F75-C86 HydrophobicContact CE1-CB 3.99Å
76	S	94.1	Very high	92.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151.9	-179.5	50.9	0	0	0	0	112.1	I61 T62 A63 Q82 M106	I61-S76 VanDerWaalsContact CA-O 3.3Å; I61-S76 WeakPolarHBondContact CA-O 2.95Å; T62-S76 PolarHBondContact N-O 2.86Å; T62-S76 PolarHBondContact OG1-OG 2.85Å; A63-S76 WeakPolarHBondContact CB-OG 3.28Å; A63-S76 PolarHBondContact N-OG 3.5Å; A63-S76 VanDerWaalsContact N-OG 3.1Å; A63-S76 PolarHBondContact O-N 2.95Å; S76-Q82 CarbonylContact C-O 3.6Å; S76-Q82 WeakPolarHBondContact CA-O 3.48Å; S76-M106 PolarHBondContact OG-SD 3.12Å
77	L	92.3	Very high	91.9	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.7	-173.4	-62.2	164.6	0	0	0	109.3	T57 E60 I61 F75 T80 K81 Q82 V84	T57-L77 VanDerWaalsContact C-CD1 3.48Å; T57-L77 WeakPolarHBondContact O-CD1 3.4Å; T57-L77 WeakPolarHBondContact O-CD2 3.42Å; T57-L77 WeakPolarHBondContact O-CG 3.4Å; E60-L77 CarbonylContact O-C 3.59Å; E60-L77 VanDerWaalsContact O-CA 3.28Å; E60-L77 WeakPolarHBondContact O-CA 3.43Å; I61-L77 HydrophobicContact CG1-CD2 4.02Å; F75-L77 HydrophobicContact CD2-CD2 4.15Å; F75-L77 HydrophobicContact CD2-CG 4.4Å; F75-L77 HydrophobicContact CE2-CD2 4.02Å; F75-L77 HydrophobicContact CE2-CG 4.31Å; L77-T80 WeakPolarHBondContact CB-OG1 3.48Å; L77-K81 WeakPolarHBondContact O-CA 3.42Å; L77-K81 PolarHBondContact O-N 3Å; L77-Q82 HydrophobicContact CD1-CB 4.26Å; L77-Q82 PolarHBondContact N-O 2.95Å; L77-Q82 PolarHBondContact O-N 3.36Å; L77-V84 HydrophobicContact CD1-CG2 3.54Å; L77-V84 HydrophobicContact CG-CG2 4.4Å
78	G	88.6	Confident	91.7	Very high	13 Å²	13	21 Å²	21	13%	0.134	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32	-175.4	0	0	0	0	0	113.5	E60	E60-G78 PolarHBondContact O-N 3.49Å
79	D	89.7	Confident	91.5	Very high	79 Å²	79	26 Å²	26	42%	0.422	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-45.7	-177.1	57	-23.6	0	0	0	112.7	G58 K59	G58-D79 WeakPolarHBondContact CA-OD2 3.5Å; K59-D79 PolarHBondContact N-OD2 3Å
80	T	90	Very high	91.1	Very high	53 Å²	53	29.6 Å²	29.6	33%	0.325	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.3	176.8	64.1	0	0	0	0	113.5	L77 Q82	L77-T80 WeakPolarHBondContact CB-OG1 3.48Å; T80-Q82 PolarHBondContact OG1-OE1 3.48Å
81	K	91.9	Very high	90.9	Very high	96 Å²	96	30.5 Å²	30.5	42%	0.417	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	50	-173.8	-58	-179.6	178.3	-176.3	0	111.9	L77 M99	L77-K81 WeakPolarHBondContact O-CA 3.42Å; L77-K81 PolarHBondContact O-N 3Å; K81-M99 PolarHBondContact O-N 3.17Å
82	Q	92.1	Very high	90.6	Very high	46 Å²	46	28.5 Å²	28.5	22%	0.215	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.5	-178.2	-73.1	169.5	-27.1	0	0	111.1	Y56 S76 L77 T80 M96 F97	Y56-Q82 PolarHBondContact O-OE1 2.69Å; S76-Q82 CarbonylContact C-O 3.6Å; S76-Q82 WeakPolarHBondContact CA-O 3.48Å; L77-Q82 HydrophobicContact CD1-CB 4.26Å; L77-Q82 PolarHBondContact N-O 2.95Å; L77-Q82 PolarHBondContact O-N 3.36Å; T80-Q82 PolarHBondContact OG1-OE1 3.48Å; Q82-M96 HydrophobicContact CB-CG 4.26Å; Q82-M96 HydrophobicContact CB-SD 4.42Å; Q82-M96 HydrophobicContact CG-CG 4.42Å; Q82-M96 HydrophobicContact CG-SD 4.45Å; Q82-M96 PolarHBondContact OE1-SD 2.94Å; Q82-F97 WeakPolarHBondContact CA-O 3.45Å
83	V	94.2	Very high	90.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.2	167.6	177.5	0	0	0	0	108.3	M96 F97 M99 V103 M106 L169 L171	V83-M96 VanDerWaalsContact O-CA 3.28Å; V83-M96 WeakPolarHBondContact O-CA 3.45Å; V83-F97 HydrophobicContact CB-CD1 4.48Å; V83-F97 HydrophobicContact CB-CD2 4.23Å; V83-F97 HydrophobicContact CB-CE1 3.97Å; V83-F97 HydrophobicContact CB-CE2 3.68Å; V83-F97 HydrophobicContact CB-CZ 3.54Å; V83-F97 HydrophobicContact CG1-CE1 3.89Å; V83-F97 HydrophobicContact CG1-CE2 4.23Å; V83-F97 HydrophobicContact CG1-CZ 3.58Å; V83-F97 HydrophobicContact CG2-CE2 3.99Å; V83-F97 HydrophobicContact CG2-CZ 4.18Å; V83-F97 PolarHBondContact N-O 3.32Å; V83-F97 PolarHBondContact O-N 3.32Å; V83-M99 HydrophobicContact CG2-CG 3.81Å; V83-M99 HydrophobicContact CG2-SD 4.27Å; V83-V103 HydrophobicContact CG2-CG2 4.13Å; V83-M106 HydrophobicContact CG1-CE 3.7Å; V83-M106 HydrophobicContact CG2-CE 4.47Å; V83-L169 HydrophobicContact CG1-CD2 4.43Å; V83-L171 HydrophobicContact CG2-CD1 3.91Å; V83-L171 HydrophobicContact CG2-CD2 4.34Å
84	V	92.6	Very high	89.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	-177.7	-176.8	0	0	0	0	109.1	A74 F75 L77 I93 M96	A74-V84 WeakPolarHBondContact CA-O 3.4Å; F75-V84 HydrophobicContact CD1-CB 4.3Å; F75-V84 HydrophobicContact CD2-CB 4.23Å; F75-V84 HydrophobicContact CE1-CB 3.82Å; F75-V84 HydrophobicContact CE1-CG1 3.71Å; F75-V84 HydrophobicContact CE2-CB 3.74Å; F75-V84 HydrophobicContact CE2-CG1 4.19Å; F75-V84 HydrophobicContact CE2-CG2 3.99Å; F75-V84 HydrophobicContact CG-CB 4.5Å; F75-V84 HydrophobicContact CZ-CB 3.53Å; F75-V84 HydrophobicContact CZ-CG1 3.48Å; F75-V84 VanDerWaalsContact CZ-CG1 3.48Å; F75-V84 HydrophobicContact CZ-CG2 4.13Å; F75-V84 PolarHBondContact N-O 3.13Å; F75-V84 PolarHBondContact O-N 2.89Å; L77-V84 HydrophobicContact CD1-CG2 3.54Å; L77-V84 HydrophobicContact CG-CG2 4.4Å; V84-I93 HydrophobicContact CG1-CB 4.36Å; V84-I93 HydrophobicContact CG1-CD1 4.48Å; V84-I93 HydrophobicContact CG1-CG1 3.97Å; V84-I93 HydrophobicContact CG1-CG2 3.7Å; V84-M96 HydrophobicContact CG2-CG 4.31Å; V84-M96 HydrophobicContact CG2-SD 4.32Å
85	L	92.1	Very high	89	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.4	171.5	-54.2	-172.9	0	0	0	108.8	I72 A74 L94 H95 W108 L169 M185	I72-L85 HydrophobicContact CG2-CB 4.1Å; A74-L85 HydrophobicContact CB-CD2 3.53Å; L85-L94 PolarHBondContact O-N 3.44Å; L85-H95 HydrophobicContact CB-CB 4.31Å; L85-H95 HydrophobicContact CD1-CB 4.24Å; L85-H95 HydrophobicContact CG-CB 4.46Å; L85-H95 PolarHBondContact N-O 3.49Å; L85-H95 PolarHBondContact O-N 3.44Å; L85-W108 HydrophobicContact CD1-CH2 4.41Å; L85-W108 HydrophobicContact CD2-CH2 3.93Å; L85-W108 HydrophobicContact CD2-CZ3 3.98Å; L85-L169 HydrophobicContact CD2-CD2 4.39Å; L85-M185 HydrophobicContact CD1-SD 3.64Å
86	C	90.3	Very high	88.7	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.3	-175.2	-177.6	0	0	0	0	111.1	L73 F75 E92	L73-C86 PolarHBondContact N-O 2.78Å; L73-C86 PolarHBondContact O-N 3.17Å; F75-C86 HydrophobicContact CE1-CB 3.99Å; C86-E92 CarbonylContact C-O 3.56Å; C86-E92 WeakPolarHBondContact CA-O 3.41Å; C86-E92 PolarHBondContact SG-O 3.08Å; C86-E92 VanDerWaalsContact SG-O 3.37Å
87	D	88.6	Confident	88.4	Confident	18 Å²	18	33.8 Å²	33.8	10%	0.096	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.9	171.5	-174.6	-95.4	0	0	0	111	E89 K90 A91 E92 L94	D87-E89 VanDerWaalsContact C-N 3.34Å; D87-E89 PolarHBondContact O-N 3.01Å; D87-E89 WeakPolarHBondContact OD1-CA 3.42Å; D87-E89 WeakPolarHBondContact OD1-CB 3.31Å; D87-E89 PolarHBondContact OD1-N 3.4Å; D87-K90 PolarHBondContact OD1-N 2.95Å; D87-A91 WeakPolarHBondContact O-CA 3.26Å; D87-A91 PolarHBondContact O-N 3.37Å; D87-A91 VanDerWaalsContact O-N 3.09Å; D87-E92 PolarHBondContact N-O 3.46Å; D87-L94 HydrophobicContact CB-CD1 3.99Å; D87-L94 HydrophobicContact CB-CD2 4.1Å; D87-L94 HydrophobicContact CB-CG 4.04Å
88	V	89.7	Confident	88.4	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.018	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.2	-175.3	172.6	0	0	0	0	112.3	L27 L39 W49 W66 K71 L73	L27-V88 HydrophobicContact CD1-CG1 4.01Å; L39-V88 HydrophobicContact CD2-CG1 3.77Å; W49-V88 PolarHBondContact NE1-O 3.5Å; W66-V88 HydrophobicContact CE3-CG2 4.11Å; W66-V88 HydrophobicContact CH2-CG1 3.75Å; W66-V88 HydrophobicContact CH2-CG2 3.88Å; W66-V88 HydrophobicContact CZ3-CB 4.17Å; W66-V88 HydrophobicContact CZ3-CG1 3.73Å; W66-V88 HydrophobicContact CZ3-CG2 3.33Å; K71-V88 WeakPolarHBondContact O-CB 3.5Å; K71-V88 WeakPolarHBondContact O-CG2 3.42Å; K71-V88 PolarHBondContact O-N 2.94Å; L73-V88 HydrophobicContact CB-CG2 4.07Å
89	E	86.9	Confident	88.4	Confident	129 Å²	129	38.5 Å²	38.5	60%	0.603	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-41.2	-175.5	-61.1	-173.8	177.5	0	0	111.7	R25 D87	R25-E89 IonicContact CZ-OE1 3.19Å; R25-E89 IonicContact NH1-OE1 3.17Å; R25-E89 PolarHBondContact NH1-OE1 3.29Å; R25-E89 IonicContact NH2-OE1 3.07Å; R25-E89 PolarHBondContact NH2-OE1 3.31Å; D87-E89 VanDerWaalsContact C-N 3.34Å; D87-E89 PolarHBondContact O-N 3.01Å; D87-E89 WeakPolarHBondContact OD1-CA 3.42Å; D87-E89 WeakPolarHBondContact OD1-CB 3.31Å; D87-E89 PolarHBondContact OD1-N 3.4Å
90	K	82.4	Confident	88.2	Confident	93 Å²	93	41.8 Å²	41.8	40%	0.404	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-11.9	-175.6	-60.3	-178.4	179.4	-179.7	0	115.1	D87 E92 E151 E156	D87-K90 PolarHBondContact OD1-N 2.95Å; K90-E92 HydrophobicContact CB-CB 4.31Å; K90-E92 HydrophobicContact CB-CG 3.88Å; K90-E92 PolarHBondContact O-N 3.01Å; K90-E151 IonicContact NZ-OE1 2.82Å; K90-E151 PolarHBondContact NZ-OE1 3.31Å; K90-E151 IonicContact NZ-OE2 3.83Å; K90-E151 PolarHBondContact NZ-OE2 3.46Å; K90-E156 IonicContact NZ-OE1 2.67Å; K90-E156 PolarHBondContact NZ-OE1 3.46Å
91	A	85.8	Confident	88.1	Confident	19 Å²	19	39.9 Å²	39.9	16%	0.157	20%	0.199	C	C	.	.			trans	58.5	34.6	-170.9	0	0	0	0	0	113.1	W49 D87	W49-A91 HydrophobicContact CB-CB 4.23Å; W49-A91 HydrophobicContact CD2-CB 3.47Å; W49-A91 VanDerWaalsContact CD2-CB 3.47Å; W49-A91 HydrophobicContact CE3-CB 3.69Å; W49-A91 HydrophobicContact CG-CB 3.73Å; W49-A91 HydrophobicContact CZ2-CB 4.31Å; W49-A91 HydrophobicContact CZ3-CB 4.22Å; D87-A91 WeakPolarHBondContact O-CA 3.26Å; D87-A91 PolarHBondContact O-N 3.37Å; D87-A91 VanDerWaalsContact O-N 3.09Å
92	E	83.3	Confident	88	Confident	37 Å²	37	36.3 Å²	36.3	17%	0.173	19%	0.186	C	C	.	.			trans	-104.2	141.2	-178.8	-69.2	-166.9	132.4	0	0	112	C86 D87 K90 L94 K147	C86-E92 CarbonylContact C-O 3.56Å; C86-E92 WeakPolarHBondContact CA-O 3.41Å; C86-E92 PolarHBondContact SG-O 3.08Å; C86-E92 VanDerWaalsContact SG-O 3.37Å; D87-E92 PolarHBondContact N-O 3.46Å; K90-E92 HydrophobicContact CB-CB 4.31Å; K90-E92 HydrophobicContact CB-CG 3.88Å; K90-E92 PolarHBondContact O-N 3.01Å; E92-L94 PolarHBondContact O-N 2.97Å; E92-K147 WeakPolarHBondContact OE1-CD 3.38Å; E92-K147 IonicContact OE1-NZ 2.68Å; E92-K147 PolarHBondContact OE1-NZ 2.81Å
93	I	84.8	Confident	88	Confident	30 Å²	30	34.3 Å²	34.3	15%	0.154	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	112.7	175.6	-61.3	165.9	0	0	0	108.1	T57 V84	T57-I93 HydrophobicContact CG2-CD1 3.3Å; T57-I93 HydrophobicContact CG2-CG1 4.46Å; V84-I93 HydrophobicContact CG1-CB 4.36Å; V84-I93 HydrophobicContact CG1-CD1 4.48Å; V84-I93 HydrophobicContact CG1-CG1 3.97Å; V84-I93 HydrophobicContact CG1-CG2 3.7Å
94	L	81.6	Confident	87.9	Confident	7 Å²	7	36 Å²	36	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-56.8	176.2	-60	177.1	0	0	0	109	I72 L85 D87 E92 I148 L160	I72-L94 HydrophobicContact CD1-CD1 3.9Å; I72-L94 HydrophobicContact CG1-CD1 4.13Å; L85-L94 PolarHBondContact O-N 3.44Å; D87-L94 HydrophobicContact CB-CD1 3.99Å; D87-L94 HydrophobicContact CB-CD2 4.1Å; D87-L94 HydrophobicContact CB-CG 4.04Å; E92-L94 PolarHBondContact O-N 2.97Å; L94-I148 WeakPolarHBondContact O-CD1 3.47Å; L94-I148 WeakPolarHBondContact O-CG1 3.46Å; L94-L160 HydrophobicContact CB-CD1 3.84Å
95	H	84.2	Confident	87.8	Confident	25 Å²	25	36.4 Å²	36.4	12%	0.116	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.2	-173.9	-174.3	67.8	0	0	0	111.8	L85 F97 I148 L160 M185 Q257	L85-H95 HydrophobicContact CB-CB 4.31Å; L85-H95 HydrophobicContact CD1-CB 4.24Å; L85-H95 HydrophobicContact CG-CB 4.46Å; L85-H95 PolarHBondContact N-O 3.49Å; L85-H95 PolarHBondContact O-N 3.44Å; H95-F97 AromaticContact CD2-CD1 3.67Å; H95-F97 AromaticContact NE2-CD1 3.79Å; H95-I148 HydrophobicContact CB-CD1 4.38Å; H95-L160 HydrophobicContact CB-CD1 3.92Å; H95-M185 HydrophobicContact CB-CE 3.86Å; H95-M185 HydrophobicContact CB-SD 3.92Å; H95-M185 VanDerWaalsContact CD2-CE 3.43Å; H95-M185 WeakPolarHBondContact CD2-CE 3.46Å; H95-M185 PolarHBondContact CD2-SD 3.33Å; H95-Q257 PolarHBondContact ND1-OE1 3.47Å
96	M	87.3	Confident	88	Confident	41 Å²	41	37.4 Å²	37.4	20%	0.202	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.1	179.6	169.2	171.8	39.3	0	0	109.3	Q82 V83 V84	Q82-M96 HydrophobicContact CB-CG 4.26Å; Q82-M96 HydrophobicContact CB-SD 4.42Å; Q82-M96 HydrophobicContact CG-CG 4.42Å; Q82-M96 HydrophobicContact CG-SD 4.45Å; Q82-M96 PolarHBondContact OE1-SD 2.94Å; V83-M96 VanDerWaalsContact O-CA 3.28Å; V83-M96 WeakPolarHBondContact O-CA 3.45Å; V84-M96 HydrophobicContact CG2-CG 4.31Å; V84-M96 HydrophobicContact CG2-SD 4.32Å
97	F	89.1	Confident	88.2	Confident	15 Å²	15	39.1 Å²	39.1	7%	0.066	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.3	176.7	57.4	-90.2	0	0	0	111.6	Q82 V83 H95 M99 L169 L171 Y181 G184	Q82-F97 WeakPolarHBondContact CA-O 3.45Å; V83-F97 HydrophobicContact CB-CD1 4.48Å; V83-F97 HydrophobicContact CB-CD2 4.23Å; V83-F97 HydrophobicContact CB-CE1 3.97Å; V83-F97 HydrophobicContact CB-CE2 3.68Å; V83-F97 HydrophobicContact CB-CZ 3.54Å; V83-F97 HydrophobicContact CG1-CE1 3.89Å; V83-F97 HydrophobicContact CG1-CE2 4.23Å; V83-F97 HydrophobicContact CG1-CZ 3.58Å; V83-F97 HydrophobicContact CG2-CE2 3.99Å; V83-F97 HydrophobicContact CG2-CZ 4.18Å; V83-F97 PolarHBondContact N-O 3.32Å; V83-F97 PolarHBondContact O-N 3.32Å; H95-F97 AromaticContact CD2-CD1 3.67Å; H95-F97 AromaticContact NE2-CD1 3.79Å; F97-M99 HydrophobicContact CD2-SD 4.17Å; F97-M99 HydrophobicContact CE2-SD 3.86Å; F97-L169 HydrophobicContact CZ-CD2 4.47Å; F97-L171 HydrophobicContact CE2-CD1 3.87Å; F97-L171 HydrophobicContact CZ-CD1 4.16Å; F97-Y181 HydrophobicContact CD2-CD1 4.5Å; F97-Y181 AromaticContact CD2-CE1 3.71Å; F97-Y181 HydrophobicContact CD2-CE1 3.71Å; F97-Y181 AromaticContact CD2-CZ 3.81Å; F97-Y181 AromaticContact CE2-CD1 3.94Å; F97-Y181 HydrophobicContact CE2-CD1 3.94Å; F97-Y181 HydrophobicContact CE2-CD2 4.33Å; F97-Y181 AromaticContact CE2-CE1 3.46Å; F97-Y181 HydrophobicContact CE2-CE1 3.46Å; F97-Y181 VanDerWaalsContact CE2-CE1 3.46Å; F97-Y181 AromaticContact CE2-CE2 3.93Å; F97-Y181 HydrophobicContact CE2-CE2 3.93Å; F97-Y181 HydrophobicContact CE2-CG 4.34Å; F97-Y181 AromaticContact CE2-CZ 3.46Å; F97-Y181 VanDerWaalsContact CE2-CZ 3.46Å; F97-Y181 HydrophobicContact CG-CE1 4.37Å; F97-Y181 AromaticContact CZ-CD1 3.95Å; F97-Y181 HydrophobicContact CZ-CD1 3.95Å; F97-Y181 AromaticContact CZ-CE1 3.95Å; F97-Y181 HydrophobicContact CZ-CE1 3.95Å; F97-Y181 HydrophobicContact CZ-CG 4.25Å; F97-G184 VanDerWaalsContact CE1-O 3.26Å; F97-G184 WeakPolarHBondContact CE1-O 3.42Å
98	P	91.1	Very high	88.5	Confident	96 Å²	96	38.8 Å²	38.8	62%	0.623	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	152.8	179.4	33.2	-35.1	0	0	0	112.1
99	M	89.1	Confident	88.7	Confident	20 Å²	20	39.3 Å²	39.3	10%	0.099	20%	0.204	C	C	.	.			trans	-116.9	153.5	174.5	-65.3	-64	-65.1	0	0	110.4	K81 V83 F97 S101 V103 L171 E179 Y181	K81-M99 PolarHBondContact O-N 3.17Å; V83-M99 HydrophobicContact CG2-CG 3.81Å; V83-M99 HydrophobicContact CG2-SD 4.27Å; F97-M99 HydrophobicContact CD2-SD 4.17Å; F97-M99 HydrophobicContact CE2-SD 3.86Å; M99-S101 WeakPolarHBondContact CB-O 3.11Å; M99-V103 HydrophobicContact CB-CG2 4.35Å; M99-V103 HydrophobicContact CE-CG2 4.01Å; M99-V103 HydrophobicContact CG-CG2 3.81Å; M99-L171 HydrophobicContact CE-CB 4.03Å; M99-L171 HydrophobicContact CE-CD1 3.61Å; M99-L171 HydrophobicContact CE-CG 4.49Å; M99-L171 HydrophobicContact SD-CD1 3.54Å; M99-L171 VanDerWaalsContact SD-CD1 3.54Å; M99-E179 HydrophobicContact CE-CB 4.32Å; M99-E179 HydrophobicContact CE-CG 4.2Å; M99-E179 WeakPolarHBondContact CE-OE2 3.4Å; M99-Y181 HydrophobicContact SD-CE2 4.19Å
100	Q	85.5	Confident	88.9	Confident	149 Å²	149	34.9 Å²	34.9	70%	0.696	18%	0.183	S	C	*	.	S	Bend	trans	-72.7	-37.8	177.3	-65.8	-174.8	-7.8	0	0	112.3
101	S	87.4	Confident	89.2	Confident	13 Å²	13	30.5 Å²	30.5	9%	0.091	16%	0.164	C	C	.	.	S	Bend	trans	-125.9	171	179.3	104.1	0	0	0	0	111.2	M99 V103 D174 C177	M99-S101 WeakPolarHBondContact CB-O 3.11Å; S101-V103 PolarHBondContact O-N 3.4Å; S101-D174 WeakPolarHBondContact CB-OD1 3.27Å; S101-D174 PolarHBondContact OG-OD1 2.75Å; S101-C177 PolarHBondContact OG-SG 3.28Å
102	S	90.1	Very high	88.9	Confident	21 Å²	21	32.6 Å²	32.6	15%	0.147	18%	0.175	C	C	.	.			trans	-71.7	128.9	177.2	-172.2	0	0	0	0	109.7	G173 D174	S102-G173 WeakPolarHBondContact O-CA 3.22Å; S102-D174 PolarHBondContact N-OD1 3.32Å; S102-D174 PolarHBondContact O-N 3.47Å; S102-D174 VanDerWaalsContact O-N 3.13Å
103	V	92.8	Very high	88.2	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.2	178.4	178.7	0	0	0	0	109	T62 V83 M99 S101 C105 M106 L171 G172	T62-V103 WeakPolarHBondContact CB-O 3.43Å; T62-V103 PolarHBondContact OG1-O 3.03Å; V83-V103 HydrophobicContact CG2-CG2 4.13Å; M99-V103 HydrophobicContact CB-CG2 4.35Å; M99-V103 HydrophobicContact CE-CG2 4.01Å; M99-V103 HydrophobicContact CG-CG2 3.81Å; S101-V103 PolarHBondContact O-N 3.4Å; V103-C105 WeakPolarHBondContact CG1-O 3.38Å; V103-M106 HydrophobicContact CG1-CG 3.66Å; V103-M106 HydrophobicContact CG1-SD 4.35Å; V103-L171 HydrophobicContact CG1-CD2 4.43Å; V103-G172 CarbonylContact C-O 3.57Å; V103-G172 WeakPolarHBondContact CA-O 3.46Å
104	T	91	Very high	86.9	Confident	37 Å²	37	38.9 Å²	38.9	23%	0.227	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-29.2	-179	53.1	0	0	0	0	112.5	G172 D174 C198	T104-G172 PolarHBondContact N-O 3.27Å; T104-G172 PolarHBondContact OG1-O 2.96Å; T104-G172 VanDerWaalsContact OG1-O 3.08Å; T104-D174 HydrophobicContact CG2-CB 3.87Å; T104-C198 WeakPolarHBondContact CB-O 3.35Å; T104-C198 PolarHBondContact OG1-O 3.19Å
105	C	91.6	Very high	86	Confident	8 Å²	8	41.8 Å²	41.8	5%	0.054	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.7	179.2	53.6	0	0	0	0	111.8	V103 G172 C198 R199 L201	V103-C105 WeakPolarHBondContact CG1-O 3.38Å; C105-G172 PolarHBondContact N-O 3.44Å; C105-G172 PolarHBondContact O-N 3.29Å; C105-C198 VanDerWaalsContact SG-CB 3.58Å; C105-R199 WeakPolarHBondContact CB-O 3.06Å; C105-L201 HydrophobicContact CB-CD1 4.4Å; C105-L201 WeakPolarHBondContact SG-CD1 3.2Å
106	M	94.8	Very high	84.7	Confident	22 Å²	22	46.1 Å²	46.1	11%	0.108	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.9	-176.9	-59	171.3	79.7	0	0	109.7	A63 T65 A74 S76 V83 V103 L169 V170 L171	A63-M106 HydrophobicContact CB-CB 4.32Å; A63-M106 HydrophobicContact CB-CG 3.66Å; A63-M106 HydrophobicContact CB-SD 3.73Å; T65-M106 HydrophobicContact CG2-CB 3.7Å; T65-M106 HydrophobicContact CG2-CE 4.18Å; A74-M106 HydrophobicContact CB-CE 3.71Å; S76-M106 PolarHBondContact OG-SD 3.12Å; V83-M106 HydrophobicContact CG1-CE 3.7Å; V83-M106 HydrophobicContact CG2-CE 4.47Å; V103-M106 HydrophobicContact CG1-CG 3.66Å; V103-M106 HydrophobicContact CG1-SD 4.35Å; M106-L169 HydrophobicContact CE-CD1 4.13Å; M106-L169 HydrophobicContact CE-CD2 4.29Å; M106-V170 WeakPolarHBondContact CA-O 3.48Å; M106-L171 HydrophobicContact CB-CD2 4.31Å; M106-L171 HydrophobicContact CE-CD2 3.53Å; M106-L171 HydrophobicContact CG-CD2 3.71Å; M106-L171 HydrophobicContact SD-CD2 4.35Å
107	N	95.3	Very high	83.6	Confident	36 Å²	36	47.2 Å²	47.2	19%	0.193	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.2	169.8	178.1	14.6	0	0	0	109.9	V170 L201 S202 L203	N107-V170 PolarHBondContact N-O 3.42Å; N107-V170 PolarHBondContact O-N 3.08Å; N107-L201 HydrophobicContact CB-CB 4.41Å; N107-L201 WeakPolarHBondContact CB-O 3.44Å; N107-L201 PolarHBondContact ND2-O 3.3Å; N107-S202 WeakPolarHBondContact ND2-CA 3.19Å; N107-L203 PolarHBondContact ND2-N 2.87Å
108	W	95.5	Very high	82.5	Confident	11 Å²	11	46.5 Å²	46.5	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114	175.5	-150.3	-28.8	0	0	0	110.2	T65 W66 R67 I72 A74 L85 N167 I168 L169	T65-W108 HydrophobicContact CG2-CB 4.07Å; T65-W108 HydrophobicContact CG2-CE3 4.24Å; T65-W108 PolarHBondContact OG1-N 3.42Å; W66-W108 VanDerWaalsContact O-CB 3.3Å; W66-W108 WeakPolarHBondContact O-CB 3.33Å; R67-W108 HydrophobicContact CB-CD2 3.94Å; R67-W108 HydrophobicContact CB-CE3 3.82Å; R67-W108 HydrophobicContact CB-CH2 4.07Å; R67-W108 HydrophobicContact CB-CZ2 4.16Å; R67-W108 HydrophobicContact CB-CZ3 3.87Å; R67-W108 HydrophobicContact CG-CD2 4.07Å; R67-W108 HydrophobicContact CG-CE3 4.41Å; R67-W108 HydrophobicContact CG-CH2 4.22Å; R67-W108 HydrophobicContact CG-CZ2 3.84Å; R67-W108 HydrophobicContact CG-CZ3 4.46Å; I72-W108 HydrophobicContact CG2-CH2 4.02Å; I72-W108 HydrophobicContact CG2-CZ3 4.05Å; A74-W108 HydrophobicContact CB-CE3 3.91Å; A74-W108 HydrophobicContact CB-CZ3 3.6Å; L85-W108 HydrophobicContact CD1-CH2 4.41Å; L85-W108 HydrophobicContact CD2-CH2 3.93Å; L85-W108 HydrophobicContact CD2-CZ3 3.98Å; W108-N167 PolarHBondContact NE1-OD1 3.22Å; W108-I168 WeakPolarHBondContact CA-O 3.35Å; W108-L169 HydrophobicContact CB-CD1 4.14Å; W108-L169 HydrophobicContact CD2-CB 4.04Å; W108-L169 HydrophobicContact CD2-CD1 4.1Å; W108-L169 HydrophobicContact CE3-CD1 4.11Å; W108-L169 HydrophobicContact CG-CB 4.17Å; W108-L169 HydrophobicContact CG-CD1 4.18Å
109	M	92.8	Very high	81.2	Confident	14 Å²	14	43.2 Å²	43.2	7%	0.069	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	159.3	-178.9	69.7	102	-100.3	0	0	111.8	V111 N167 I168 L203 L207	M109-V111 HydrophobicContact CE-CG2 3.6Å; M109-N167 CarbonylContact O-C 3.54Å; M109-N167 WeakPolarHBondContact O-CA 3.49Å; M109-N167 WeakPolarHBondContact O-CB 3.49Å; M109-I168 HydrophobicContact CE-CB 3.92Å; M109-I168 HydrophobicContact CE-CD1 4.09Å; M109-I168 HydrophobicContact CE-CG1 3.93Å; M109-I168 PolarHBondContact N-O 2.96Å; M109-I168 PolarHBondContact O-N 3.09Å; M109-L203 HydrophobicContact CG-CB 3.94Å; M109-L203 HydrophobicContact CG-CD2 3.66Å; M109-L203 HydrophobicContact CG-CG 3.91Å; M109-L203 HydrophobicContact SD-CD2 3.72Å; M109-L203 HydrophobicContact SD-CG 3.89Å; M109-L207 HydrophobicContact CE-CD2 4.04Å; M109-L207 HydrophobicContact SD-CD2 3.71Å
110	E	91.6	Very high	80.2	Confident	35 Å²	35	46.2 Å²	46.2	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.6	173.3	175.4	175.7	-132	0	0	109.1	P68 R165 N167	P68-E110 HydrophobicContact CB-CB 3.78Å; P68-E110 HydrophobicContact CG-CB 3.76Å; E110-R165 HydrophobicContact CG-CG 3.92Å; E110-R165 VanDerWaalsContact OE1-CD 3.29Å; E110-R165 WeakPolarHBondContact OE1-CD 3.3Å; E110-N167 HydrophobicContact CB-CB 4.26Å
111	V	89.1	Confident	79.4	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	24%	0.241	C	C	.	.			trans	-71.7	130.9	-179.2	-179.5	0	0	0	0	109.9	M109 E113 R165 L166 L207 L239	M109-V111 HydrophobicContact CE-CG2 3.6Å; V111-E113 HydrophobicContact CG1-CB 4.37Å; V111-R165 VanDerWaalsContact O-CD 3.26Å; V111-R165 WeakPolarHBondContact O-CD 3.4Å; V111-R165 PolarHBondContact O-NH1 3.17Å; V111-L166 HydrophobicContact CG2-CB 4.13Å; V111-L166 HydrophobicContact CG2-CD2 4.32Å; V111-L166 HydrophobicContact CG2-CG 4.31Å; V111-L166 WeakPolarHBondContact CG2-O 3.39Å; V111-L166 PolarHBondContact N-O 2.98Å; V111-L207 HydrophobicContact CG2-CD1 3.84Å; V111-L207 HydrophobicContact CG2-CD2 3.97Å; V111-L207 HydrophobicContact CG2-CG 3.88Å; V111-L239 HydrophobicContact CG1-CD1 3.97Å; V111-L239 HydrophobicContact CG1-CD2 3.77Å; V111-L239 HydrophobicContact CG2-CD1 4.05Å
112	V	79.6	Confident	78.3	Confident	64 Å²	64	42.5 Å²	42.5	39%	0.388	25%	0.246	S	C	.	.			trans	-101.7	-15.4	-178.5	-176.4	0	0	0	0	112.8	E114 S205 K573	V112-E114 PolarHBondContact O-N 3.48Å; V112-S205 PolarHBondContact N-O 3.39Å; V112-K573 HydrophobicContact CG2-CD 4.17Å
113	E	67.4	Low	76.9	Confident	42 Å²	42	48 Å²	48	20%	0.196	27%	0.273	C	S	.	.			trans	-66.8	120.1	-178.3	-69.6	-161.4	149.2	0	0	113.2	V111 D206 L239 K576	V111-E113 HydrophobicContact CG1-CB 4.37Å; E113-D206 HydrophobicContact CG-CB 4.03Å; E113-D206 WeakPolarHBondContact OE1-CB 3.4Å; E113-L239 HydrophobicContact CB-CD2 4.47Å; E113-K576 IonicContact OE1-NZ 3.8Å; E113-K576 PolarHBondContact OE1-NZ 2.99Å
114	E	58.8	Low	75.5	Confident	157 Å²	157	50.5 Å²	50.5	73%	0.734	29%	0.291	S	S	*	.			trans	-95.8	91.2	177.7	-63.6	-173.2	169.8	0	0	110.1	V112 R165	V112-E114 PolarHBondContact O-N 3.48Å; E114-R165 IonicContact OE1-NH2 3.88Å; E114-R165 PolarHBondContact OE1-NH2 3.21Å
115	N	61.1	Low	73.8	Confident	67 Å²	67	55.9 Å²	55.9	36%	0.358	31%	0.314	S	S	.	.			trans	-85.8	141.4	165.7	-65.4	-31.4	0	0	0	109.7	S117 L118 G119	N115-S117 PolarHBondContact O-N 3.16Å; N115-L118 HydrophobicContact CB-CB 4.3Å; N115-L118 HydrophobicContact CB-CD1 3.84Å; N115-L118 WeakPolarHBondContact O-CA 3.39Å; N115-L118 WeakPolarHBondContact O-CB 3.27Å; N115-L118 PolarHBondContact O-N 3.11Å; N115-G119 PolarHBondContact O-N 2.97Å
116	S	58.5	Low	72.5	Confident	116 Å²	116	57 Å²	57	81%	0.811	32%	0.319	S	S	*	.	H	α-helix	trans	-58.1	-31.8	177.6	55.6	0	0	0	0	113.3	G119 S120	S116-G119 PolarHBondContact O-N 3.35Å; S116-S120 PolarHBondContact O-N 3.08Å
117	S	63	Low	71.1	Confident	65 Å²	65	61.6 Å²	61.6	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-37.7	173.1	54.5	0	0	0	0	113.2	N115 F121	N115-S117 PolarHBondContact O-N 3.16Å; S117-F121 PolarHBondContact O-N 3.03Å; S117-F121 VanDerWaalsContact O-N 3.14Å
118	L	67.1	Low	69.8	Low	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-70.8	-39.2	173.8	-89.1	138.3	0	0	0	111.1	N115 S120 F121 Y122 L239 P240 T243	N115-L118 HydrophobicContact CB-CB 4.3Å; N115-L118 HydrophobicContact CB-CD1 3.84Å; N115-L118 WeakPolarHBondContact O-CA 3.39Å; N115-L118 WeakPolarHBondContact O-CB 3.27Å; N115-L118 PolarHBondContact O-N 3.11Å; L118-S120 VanDerWaalsContact C-N 3.34Å; L118-S120 PolarHBondContact O-N 3.13Å; L118-F121 CarbonylContact O-C 3.29Å; L118-F121 WeakPolarHBondContact O-CB 3.45Å; L118-F121 PolarHBondContact O-N 2.95Å; L118-Y122 HydrophobicContact CB-CE2 4.01Å; L118-Y122 HydrophobicContact CD2-CE1 3.98Å; L118-Y122 HydrophobicContact CD2-CE2 4.24Å; L118-Y122 VanDerWaalsContact CD2-OH 3.31Å; L118-Y122 WeakPolarHBondContact CD2-OH 3.22Å; L118-Y122 WeakPolarHBondContact O-CB 3.37Å; L118-Y122 VanDerWaalsContact O-CD2 3.24Å; L118-Y122 WeakPolarHBondContact O-CD2 3.29Å; L118-Y122 PolarHBondContact O-N 3.03Å; L118-L239 HydrophobicContact CD1-CB 4.38Å; L118-L239 HydrophobicContact CD1-CD2 3.46Å; L118-L239 VanDerWaalsContact CD1-CD2 3.46Å; L118-L239 HydrophobicContact CD1-CG 3.72Å; L118-P240 HydrophobicContact CD1-CB 4.37Å; L118-P240 HydrophobicContact CD1-CG 3.79Å; L118-P240 HydrophobicContact CG-CB 4.2Å; L118-P240 HydrophobicContact CG-CG 4.11Å; L118-T243 HydrophobicContact CD2-CG2 4.26Å
119	G	63.8	Low	68.4	Low	26 Å²	26	66 Å²	66	27%	0.268	36%	0.359	S	S	.	.	H	α-helix	trans	-57.6	-44.6	171.9	0	0	0	0	0	112.4	N115 S116 F121 Y122 N123	N115-G119 PolarHBondContact O-N 2.97Å; S116-G119 PolarHBondContact O-N 3.35Å; G119-F121 VanDerWaalsContact C-N 3.3Å; G119-F121 PolarHBondContact O-N 3.01Å; G119-Y122 PolarHBondContact O-N 3.32Å; G119-N123 VanDerWaalsContact O-CB 3.32Å; G119-N123 WeakPolarHBondContact O-CB 3.47Å; G119-N123 PolarHBondContact O-N 3.01Å; G119-N123 PolarHBondContact O-ND2 3.32Å; G119-N123 VanDerWaalsContact O-ND2 3.14Å
120	S	66.9	Low	67.4	Low	83 Å²	83	71 Å²	71	58%	0.58	39%	0.386	S	S	*	.	H	α-helix	trans	-63.9	-32.4	173.7	-174.1	0	0	0	0	113.2	S116 L118 S124	S116-S120 PolarHBondContact O-N 3.08Å; L118-S120 VanDerWaalsContact C-N 3.34Å; L118-S120 PolarHBondContact O-N 3.13Å; S120-S124 WeakPolarHBondContact O-CB 2.84Å; S120-S124 PolarHBondContact O-N 3.33Å
121	F	68.8	Low	66.7	Low	35 Å²	35	76.1 Å²	76.1	15%	0.154	41%	0.408	C	S	.	.	H	α-helix	trans	-75.1	-38	176.1	174.9	-104.1	0	0	0	112.6	S117 L118 G119 N123 S124 V164 T243 K244	S117-F121 PolarHBondContact O-N 3.03Å; S117-F121 VanDerWaalsContact O-N 3.14Å; L118-F121 CarbonylContact O-C 3.29Å; L118-F121 WeakPolarHBondContact O-CB 3.45Å; L118-F121 PolarHBondContact O-N 2.95Å; G119-F121 VanDerWaalsContact C-N 3.3Å; G119-F121 PolarHBondContact O-N 3.01Å; F121-N123 PolarHBondContact O-N 3.06Å; F121-S124 WeakPolarHBondContact CA-OG 3.49Å; F121-S124 PolarHBondContact O-N 3.28Å; F121-S124 PolarHBondContact O-OG 2.84Å; F121-V164 HydrophobicContact CD1-CG1 4.02Å; F121-V164 HydrophobicContact CE1-CG1 3.61Å; F121-V164 HydrophobicContact CZ-CG1 4.47Å; F121-T243 HydrophobicContact CD1-CG2 4.42Å; F121-T243 HydrophobicContact CE1-CG2 3.99Å; F121-K244 HydrophobicContact CD2-CD 4.45Å; F121-K244 HydrophobicContact CE2-CB 4.11Å; F121-K244 HydrophobicContact CE2-CD 4.03Å; F121-K244 HydrophobicContact CE2-CG 3.72Å; F121-K244 HydrophobicContact CZ-CB 4.13Å; F121-K244 HydrophobicContact CZ-CG 4.07Å
122	Y	64.3	Low	66.2	Low	50 Å²	50	77.9 Å²	77.9	20%	0.196	42%	0.417	C	S	.	.	H	α-helix	trans	-64.9	-33.5	173.8	-61.7	-28.3	0	0	0	111.6	L118 G119 V164 T243	L118-Y122 HydrophobicContact CB-CE2 4.01Å; L118-Y122 HydrophobicContact CD2-CE1 3.98Å; L118-Y122 HydrophobicContact CD2-CE2 4.24Å; L118-Y122 VanDerWaalsContact CD2-OH 3.31Å; L118-Y122 WeakPolarHBondContact CD2-OH 3.22Å; L118-Y122 WeakPolarHBondContact O-CB 3.37Å; L118-Y122 VanDerWaalsContact O-CD2 3.24Å; L118-Y122 WeakPolarHBondContact O-CD2 3.29Å; L118-Y122 PolarHBondContact O-N 3.03Å; G119-Y122 PolarHBondContact O-N 3.32Å; Y122-V164 HydrophobicContact CD1-CB 3.69Å; Y122-V164 HydrophobicContact CD1-CG1 3.39Å; Y122-V164 HydrophobicContact CE1-CB 4.19Å; Y122-V164 HydrophobicContact CE1-CG1 3.84Å; Y122-V164 HydrophobicContact CG-CG1 4.5Å; Y122-T243 HydrophobicContact CE1-CG2 4.45Å
123	N	62.2	Low	66	Low	135 Å²	135	78.7 Å²	78.7	72%	0.722	42%	0.423	S	S	*	.	H	α-helix	trans	-88.1	-17.7	177.9	-64.1	-21.3	0	0	0	113.6	G119 F121 E125	G119-N123 VanDerWaalsContact O-CB 3.32Å; G119-N123 WeakPolarHBondContact O-CB 3.47Å; G119-N123 PolarHBondContact O-N 3.01Å; G119-N123 PolarHBondContact O-ND2 3.32Å; G119-N123 VanDerWaalsContact O-ND2 3.14Å; F121-N123 PolarHBondContact O-N 3.06Å; N123-E125 PolarHBondContact O-N 2.94Å; N123-E125 VanDerWaalsContact O-N 3.13Å
124	S	62.9	Low	66.6	Low	56 Å²	56	84.3 Å²	84.3	39%	0.392	45%	0.45	S	S	.	.	S	Bend	trans	-71.1	107.6	168.3	62.3	0	0	0	0	107.1	S120 F121	S120-S124 WeakPolarHBondContact O-CB 2.84Å; S120-S124 PolarHBondContact O-N 3.33Å; F121-S124 WeakPolarHBondContact CA-OG 3.49Å; F121-S124 PolarHBondContact O-N 3.28Å; F121-S124 PolarHBondContact O-OG 2.84Å
125	E	54.8	Low	67.7	Low	150 Å²	150	79.5 Å²	79.5	70%	0.701	43%	0.429	S	S	*	.			trans	-52.4	145.6	172.1	-72.6	-173.3	157.8	0	0	109.5	N123 E127	N123-E125 PolarHBondContact O-N 2.94Å; N123-E125 VanDerWaalsContact O-N 3.13Å; E125-E127 PolarHBondContact O-N 3.12Å
126	D	63.8	Low	68.8	Low	32 Å²	32	78.7 Å²	78.7	17%	0.171	43%	0.427	C	S	.	.			trans	-66.6	90.2	171.9	-172.4	20.1	0	0	0	108.2	S128 K129 K248	D126-S128 VanDerWaalsContact CG-OG 3.24Å; D126-S128 PolarHBondContact O-N 3.23Å; D126-S128 PolarHBondContact OD1-OG 2.76Å; D126-S128 VanDerWaalsContact OD1-OG 3.06Å; D126-S128 PolarHBondContact OD2-OG 2.86Å; D126-K129 PolarHBondContact O-N 3.31Å; D126-K248 IonicContact OD1-NZ 2.7Å
127	E	67	Low	69.9	Low	118 Å²	118	76.4 Å²	76.4	55%	0.551	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.9	-176.9	-70	-173.5	178.6	0	0	112	E125 K129 L130 F131	E125-E127 PolarHBondContact O-N 3.12Å; E127-K129 PolarHBondContact O-N 2.99Å; E127-L130 HydrophobicContact CG-CD1 4.48Å; E127-L130 WeakPolarHBondContact O-CB 3.16Å; E127-L130 PolarHBondContact O-N 3.48Å; E127-F131 HydrophobicContact CB-CD2 4.26Å; E127-F131 HydrophobicContact CB-CE2 3.97Å; E127-F131 WeakPolarHBondContact O-CD2 3.09Å; E127-F131 PolarHBondContact O-N 3.13Å
128	S	66.6	Low	70.8	Confident	9 Å²	9	73.8 Å²	73.8	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-58.1	-30.9	174.7	77.1	0	0	0	0	112.5	D126 L130 F131 L132 Y355	D126-S128 VanDerWaalsContact CG-OG 3.24Å; D126-S128 PolarHBondContact O-N 3.23Å; D126-S128 PolarHBondContact OD1-OG 2.76Å; D126-S128 VanDerWaalsContact OD1-OG 3.06Å; D126-S128 PolarHBondContact OD2-OG 2.86Å; S128-L130 PolarHBondContact O-N 3.28Å; S128-F131 PolarHBondContact O-N 2.98Å; S128-L132 WeakPolarHBondContact O-CB 3.35Å; S128-L132 WeakPolarHBondContact O-CG 3.46Å; S128-L132 PolarHBondContact O-N 2.65Å; S128-Y355 VanDerWaalsContact CB-CE1 3.42Å
129	K	66.7	Low	71.2	Confident	131 Å²	131	77.3 Å²	77.3	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-69.5	-21.2	175.5	-65.3	-172.9	178.1	-173	0	113.6	D126 E127 L158	D126-K129 PolarHBondContact O-N 3.31Å; E127-K129 PolarHBondContact O-N 2.99Å; K129-L158 VanDerWaalsContact NZ-CD2 3.3Å
130	L	72.5	Confident	71.4	Confident	119 Å²	119	84 Å²	84	62%	0.623	43%	0.434	S	S	*	.	H	α-helix	trans	-81.7	-31.8	177.3	-61.3	171.2	0	0	0	111.7	E127 S128	E127-L130 HydrophobicContact CG-CD1 4.48Å; E127-L130 WeakPolarHBondContact O-CB 3.16Å; E127-L130 PolarHBondContact O-N 3.48Å; S128-L130 PolarHBondContact O-N 3.28Å
131	F	76.8	Confident	71.1	Confident	142 Å²	142	81.1 Å²	81.1	62%	0.623	41%	0.413	S	S	*	.	H	α-helix	trans	-107	-26.2	-171	-59	-63.4	0	0	0	114.2	E127 S128	E127-F131 HydrophobicContact CB-CD2 4.26Å; E127-F131 HydrophobicContact CB-CE2 3.97Å; E127-F131 WeakPolarHBondContact O-CD2 3.09Å; E127-F131 PolarHBondContact O-N 3.13Å; S128-F131 PolarHBondContact O-N 2.98Å
132	L	77.4	Confident	70.3	Confident	39 Å²	39	90.5 Å²	90.5	20%	0.204	45%	0.449	C	S	.	.	S	Bend	trans	-96.6	141	179.6	-61.2	176.5	0	0	0	111.1	S128 A352 Y355	S128-L132 WeakPolarHBondContact O-CB 3.35Å; S128-L132 WeakPolarHBondContact O-CG 3.46Å; S128-L132 PolarHBondContact O-N 2.65Å; L132-A352 HydrophobicContact CD1-CB 4.1Å; L132-Y355 HydrophobicContact CD1-CD1 3.75Å; L132-Y355 HydrophobicContact CD1-CE1 4.33Å; L132-Y355 HydrophobicContact CD1-CG 4.01Å; L132-Y355 HydrophobicContact CD2-CD2 4.31Å; L132-Y355 HydrophobicContact CD2-CG 4.07Å; L132-Y355 HydrophobicContact CG-CD1 4.41Å; L132-Y355 HydrophobicContact CG-CG 4.32Å
133	P	76.4	Confident	69.9	Low	80 Å²	80	93.6 Å²	93.6	52%	0.519	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-64.2	144.5	169.8	28.8	-33.4	0	0	0	110.2	L135	P133-L135 PolarHBondContact O-N 2.86Å
134	E	78.8	Confident	69.7	Low	161 Å²	161	89 Å²	89	75%	0.752	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-63.4	135.3	172	-69.1	-167	160	0	0	110.3	P136	E134-P136 WeakPolarHBondContact O-CD 3.31Å
135	L	82.5	Confident	69.3	Low	56 Å²	56	88.9 Å²	88.9	29%	0.293	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-69.3	125.7	178.9	-65.5	173.6	0	0	0	109.5	P133 L255 Y258	P133-L135 PolarHBondContact O-N 2.86Å; L135-L255 HydrophobicContact CD1-CD2 3.52Å; L135-Y258 HydrophobicContact CB-CE2 4.48Å; L135-Y258 HydrophobicContact CD1-CD1 4.37Å; L135-Y258 HydrophobicContact CD1-CE1 4.47Å; L135-Y258 HydrophobicContact CD2-CE1 4.09Å
136	P	84.3	Confident	69.5	Low	49 Å²	49	82.4 Å²	82.4	32%	0.318	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-67.6	153.6	176.9	-17	29.8	0	0	0	111.8	E134 Y258 S344	E134-P136 WeakPolarHBondContact O-CD 3.31Å; P136-Y258 WeakPolarHBondContact O-CE2 3.36Å; P136-Y258 PolarHBondContact O-OH 2.8Å; P136-S344 WeakPolarHBondContact CD-O 3.29Å; P136-S344 WeakPolarHBondContact CG-O 3.33Å
137	T	82.6	Confident	69.6	Low	68 Å²	68	85.5 Å²	85.5	42%	0.417	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-68.6	144.4	175.8	55.7	0	0	0	0	111.1	F149 E151	T137-F149 CarbonylContact C-O 3.52Å; T137-F149 WeakPolarHBondContact CA-O 3.46Å; T137-E151 WeakPolarHBondContact CG2-O 3.47Å
138	L	80.1	Confident	69.5	Low	11 Å²	11	80.2 Å²	80.2	6%	0.058	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-82.2	145.8	177.6	-67.7	177.5	0	0	0	110.7	F149 Y258 L261 S262 H345	L138-F149 HydrophobicContact CB-CB 4.37Å; L138-F149 HydrophobicContact CD1-CB 3.92Å; L138-F149 HydrophobicContact CD1-CG 4.49Å; L138-F149 HydrophobicContact CG-CB 4.1Å; L138-F149 PolarHBondContact N-O 2.94Å; L138-Y258 HydrophobicContact CD1-CD2 4.01Å; L138-Y258 HydrophobicContact CD1-CE2 4.08Å; L138-Y258 HydrophobicContact CD2-CE2 3.97Å; L138-Y258 HydrophobicContact CG-CD2 4.21Å; L138-Y258 HydrophobicContact CG-CE2 3.76Å; L138-L261 HydrophobicContact CD1-CB 3.5Å; L138-L261 HydrophobicContact CD1-CD1 4.42Å; L138-S262 WeakPolarHBondContact CD2-OG 3.38Å; L138-H345 HydrophobicContact CD2-CB 4.36Å; L138-H345 WeakPolarHBondContact CD2-CD2 3.17Å
139	P	76	Confident	69.5	Low	74 Å²	74	80.3 Å²	80.3	48%	0.481	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-56	144.2	169.8	-21.5	32.3	0	0	0	111.1	S141 L341	P139-S141 PolarHBondContact O-N 3.26Å; P139-L341 HydrophobicContact CG-CD2 4.27Å
140	K	68.5	Low	69.3	Low	167 Å²	167	75.2 Å²	75.2	73%	0.726	38%	0.382	S	S	*	.			trans	-64.5	102.4	176.2	-65.3	-177	180	-177.6	0	109.8
141	S	59.3	Low	68.6	Low	21 Å²	21	72.3 Å²	72.3	15%	0.147	37%	0.365	C	S	.	.			trans	-87.6	136.4	168	168.4	0	0	0	0	109.9	P139 N143 E268	P139-S141 PolarHBondContact O-N 3.26Å; S141-N143 PolarHBondContact O-N 2.93Å; S141-N143 PolarHBondContact OG-N 3.42Å; S141-E268 VanDerWaalsContact CB-OE2 3.31Å; S141-E268 WeakPolarHBondContact CB-OE2 3.45Å; S141-E268 VanDerWaalsContact OG-CD 3.26Å; S141-E268 PolarHBondContact OG-OE1 3.44Å; S141-E268 PolarHBondContact OG-OE2 3.44Å
142	Y	53.1	Low	67.5	Low	232 Å²	232	74.5 Å²	74.5	91%	0.91	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.7	178.2	-68.6	-86.1	0	0	0	113.3
143	N	55.1	Low	66.3	Low	116 Å²	116	79.2 Å²	79.2	62%	0.62	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.7	-170.2	-68.2	-29.6	0	0	0	114.4	S141 E268	S141-N143 PolarHBondContact O-N 2.93Å; S141-N143 PolarHBondContact OG-N 3.42Å; N143-E268 PolarHBondContact ND2-OE1 3.14Å
144	T	57.9	Low	65.3	Low	38 Å²	38	78.4 Å²	78.4	23%	0.233	39%	0.392	C	S	.	.			trans	-105.6	127.4	-173.8	59.3	0	0	0	0	111.4	L261	T144-L261 HydrophobicContact CG2-CD2 3.46Å; T144-L261 VanDerWaalsContact CG2-CD2 3.46Å
145	T	55	Low	64.3	Low	54 Å²	54	74.8 Å²	74.8	33%	0.331	38%	0.378	S	S	.	.	S	Bend	trans	-79.2	-25.9	-177	50.5	0	0	0	0	113.1	Y56	Y56-T145 HydrophobicContact CD1-CG2 3.45Å; Y56-T145 VanDerWaalsContact CD1-CG2 3.45Å; Y56-T145 HydrophobicContact CD2-CG2 3.95Å; Y56-T145 HydrophobicContact CE1-CG2 3.93Å; Y56-T145 HydrophobicContact CE2-CG2 4.38Å; Y56-T145 HydrophobicContact CG-CG2 3.46Å; Y56-T145 VanDerWaalsContact CG-CG2 3.46Å
146	S	59.8	Low	63.4	Low	14 Å²	14	72.9 Å²	72.9	10%	0.098	37%	0.368	C	S	.	.			trans	-95.7	112.2	177.8	61.5	0	0	0	0	111	I148 Q257	S146-I148 VanDerWaalsContact C-N 3.33Å; S146-I148 PolarHBondContact O-N 3.15Å; S146-Q257 PolarHBondContact OG-NE2 2.7Å
147	K	65.1	Low	62.3	Low	96 Å²	96	72.3 Å²	72.3	42%	0.417	36%	0.362	S	S	.	.			trans	-86.5	3.3	-178.9	-70	-172	-171.9	175.5	0	115.3	E92 F149 S150	E92-K147 WeakPolarHBondContact OE1-CD 3.38Å; E92-K147 IonicContact OE1-NZ 2.68Å; E92-K147 PolarHBondContact OE1-NZ 2.81Å; K147-F149 PolarHBondContact O-N 2.68Å; K147-S150 WeakPolarHBondContact CB-OG 3.39Å; K147-S150 PolarHBondContact O-N 3.3Å; K147-S150 PolarHBondContact O-OG 3.39Å
148	I	65.2	Low	61.4	Low	8 Å²	8	72.4 Å²	72.4	4%	0.041	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-37.8	-172.8	-52.4	174.9	0	0	0	114.3	L94 H95 S146 I157 L160	L94-I148 WeakPolarHBondContact O-CD1 3.47Å; L94-I148 WeakPolarHBondContact O-CG1 3.46Å; H95-I148 HydrophobicContact CB-CD1 4.38Å; S146-I148 VanDerWaalsContact C-N 3.33Å; S146-I148 PolarHBondContact O-N 3.15Å; I148-I157 HydrophobicContact CG2-CG1 3.52Å; I148-L160 HydrophobicContact CD1-CD1 4.34Å
149	F	67.5	Low	60.8	Low	10 Å²	10	74.4 Å²	74.4	4%	0.044	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	3.5	-172.5	-53.9	-79.5	0	0	0	113.8	T137 L138 K147 I157 T254 Q257 Y258 L261	T137-F149 CarbonylContact C-O 3.52Å; T137-F149 WeakPolarHBondContact CA-O 3.46Å; L138-F149 HydrophobicContact CB-CB 4.37Å; L138-F149 HydrophobicContact CD1-CB 3.92Å; L138-F149 HydrophobicContact CD1-CG 4.49Å; L138-F149 HydrophobicContact CG-CB 4.1Å; L138-F149 PolarHBondContact N-O 2.94Å; K147-F149 PolarHBondContact O-N 2.68Å; F149-I157 HydrophobicContact CD1-CD1 3.46Å; F149-I157 VanDerWaalsContact CD1-CD1 3.46Å; F149-I157 HydrophobicContact CD1-CG1 4.11Å; F149-I157 HydrophobicContact CE1-CD1 3.53Å; F149-I157 HydrophobicContact CE1-CG1 3.95Å; F149-T254 HydrophobicContact CE1-CG2 3.93Å; F149-T254 HydrophobicContact CZ-CG2 3.63Å; F149-T254 WeakPolarHBondContact CZ-O 3.41Å; F149-Q257 HydrophobicContact CE2-CB 4.41Å; F149-Q257 HydrophobicContact CE2-CG 4.22Å; F149-Y258 HydrophobicContact CB-CD2 4.21Å; F149-Y258 AromaticContact CD1-CD2 3.46Å; F149-Y258 HydrophobicContact CD1-CD2 3.46Å; F149-Y258 VanDerWaalsContact CD1-CD2 3.46Å; F149-Y258 HydrophobicContact CD1-CE2 4.18Å; F149-Y258 HydrophobicContact CD1-CG 4.34Å; F149-Y258 HydrophobicContact CD2-CD2 4.39Å; F149-Y258 AromaticContact CE1-CD2 3.83Å; F149-Y258 HydrophobicContact CE1-CD2 3.83Å; F149-Y258 HydrophobicContact CE1-CG 4.28Å; F149-Y258 AromaticContact CG-CD2 3.77Å; F149-Y258 HydrophobicContact CG-CD2 3.77Å; F149-Y258 HydrophobicContact CG-CE2 4.49Å; F149-Y258 HydrophobicContact CZ-CD2 4.42Å; F149-L261 HydrophobicContact CD2-CD1 3.46Å; F149-L261 VanDerWaalsContact CD2-CD1 3.46Å; F149-L261 HydrophobicContact CE2-CD1 3.85Å
150	S	60.9	Low	60.5	Low	24 Å²	24	71 Å²	71	17%	0.168	35%	0.348	C	S	.	.	S	Bend	trans	-97.7	-8.2	-169.5	69.8	0	0	0	0	114.7	K147	K147-S150 WeakPolarHBondContact CB-OG 3.39Å; K147-S150 PolarHBondContact O-N 3.3Å; K147-S150 PolarHBondContact O-OG 3.39Å
151	E	59.4	Low	60.6	Low	58 Å²	58	63.8 Å²	63.8	27%	0.271	32%	0.317	S	S	.	.	S	Bend	trans	-101.9	147.3	179.6	-81.1	-150.9	-176.1	0	0	113.5	K90 T137 K153	K90-E151 IonicContact NZ-OE1 2.82Å; K90-E151 PolarHBondContact NZ-OE1 3.31Å; K90-E151 IonicContact NZ-OE2 3.83Å; K90-E151 PolarHBondContact NZ-OE2 3.46Å; T137-E151 WeakPolarHBondContact CG2-O 3.47Å; E151-K153 PolarHBondContact O-N 3.32Å
152	E	53.6	Low	61	Low	189 Å²	189	63.9 Å²	63.9	88%	0.883	32%	0.321	S	S	*	.	S	Bend	trans	-64.1	5.4	-177.4	-71	-178.2	157	0	0	115.2
153	K	52.1	Low	61.8	Low	138 Å²	138	57.9 Å²	57.9	60%	0.6	30%	0.302	S	S	*	.			trans	-126.4	114.6	180	-61	-174.2	-177.6	-178.9	0	110.6	E151 D155 E156	E151-K153 PolarHBondContact O-N 3.32Å; K153-D155 HydrophobicContact CB-CB 4.35Å; K153-D155 PolarHBondContact O-N 3.22Å; K153-E156 PolarHBondContact O-N 2.79Å
154	S	54.1	Low	62.7	Low	62 Å²	62	53.9 Å²	53.9	43%	0.434	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-9.2	170.7	47.5	0	0	0	0	114.5	E156 L158	S154-E156 VanDerWaalsContact C-N 3.3Å; S154-E156 PolarHBondContact O-N 3.43Å; S154-L158 PolarHBondContact O-N 3.38Å
155	D	59	Low	64	Low	85 Å²	85	54.7 Å²	54.7	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-60.8	-29	178.2	-69.4	-27.9	0	0	0	113.8	K153 L158 N159	K153-D155 HydrophobicContact CB-CB 4.35Å; K153-D155 PolarHBondContact O-N 3.22Å; D155-L158 PolarHBondContact O-N 3.07Å; D155-N159 WeakPolarHBondContact O-CB 3.19Å; D155-N159 PolarHBondContact O-N 2.95Å; D155-N159 PolarHBondContact O-ND2 3.36Å; D155-N159 VanDerWaalsContact O-ND2 3.13Å
156	E	63.1	Low	65.7	Low	16 Å²	16	52.1 Å²	52.1	8%	0.075	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-41	-177.3	-67.1	-171.2	169.2	0	0	113.2	K90 K153 S154 L158 N159 L160	K90-E156 IonicContact NZ-OE1 2.67Å; K90-E156 PolarHBondContact NZ-OE1 3.46Å; K153-E156 PolarHBondContact O-N 2.79Å; S154-E156 VanDerWaalsContact C-N 3.3Å; S154-E156 PolarHBondContact O-N 3.43Å; E156-L158 VanDerWaalsContact C-N 3.33Å; E156-N159 PolarHBondContact O-N 2.79Å; E156-L160 WeakPolarHBondContact O-CB 3.33Å; E156-L160 PolarHBondContact O-N 3.23Å
157	I	61.9	Low	67.2	Low	38 Å²	38	51.8 Å²	51.8	20%	0.195	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-41.3	174.7	-63.1	160.3	0	0	0	109.8	I148 F149 L160 L161 T254	I148-I157 HydrophobicContact CG2-CG1 3.52Å; F149-I157 HydrophobicContact CD1-CD1 3.46Å; F149-I157 VanDerWaalsContact CD1-CD1 3.46Å; F149-I157 HydrophobicContact CD1-CG1 4.11Å; F149-I157 HydrophobicContact CE1-CD1 3.53Å; F149-I157 HydrophobicContact CE1-CG1 3.95Å; I157-L160 PolarHBondContact O-N 3.4Å; I157-L161 HydrophobicContact CG2-CD1 3.91Å; I157-L161 WeakPolarHBondContact O-CB 3.39Å; I157-L161 VanDerWaalsContact O-CG 3.31Å; I157-L161 WeakPolarHBondContact O-CG 3.21Å; I157-L161 PolarHBondContact O-N 3.31Å; I157-T254 HydrophobicContact CG2-CG2 4.1Å
158	L	63.7	Low	68.7	Low	69 Å²	69	47.2 Å²	47.2	36%	0.361	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-40.1	175.2	-67.3	174.5	0	0	0	111.7	K129 S154 D155 E156 L160 L161 G162	K129-L158 VanDerWaalsContact NZ-CD2 3.3Å; S154-L158 PolarHBondContact O-N 3.38Å; D155-L158 PolarHBondContact O-N 3.07Å; E156-L158 VanDerWaalsContact C-N 3.33Å; L158-L160 VanDerWaalsContact C-N 3.31Å; L158-L160 PolarHBondContact O-N 3.44Å; L158-L161 PolarHBondContact O-N 3.49Å; L158-G162 PolarHBondContact O-N 3.03Å
159	N	66.6	Low	70.2	Confident	53 Å²	53	46.8 Å²	46.8	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-38.9	175.6	-78.2	-30.3	0	0	0	110.8	R67 D155 E156 G162	R67-N159 VanDerWaalsContact CZ-O 3.24Å; R67-N159 PolarHBondContact NH1-O 3.26Å; R67-N159 PolarHBondContact NH2-O 2.91Å; D155-N159 WeakPolarHBondContact O-CB 3.19Å; D155-N159 PolarHBondContact O-N 2.95Å; D155-N159 PolarHBondContact O-ND2 3.36Å; D155-N159 VanDerWaalsContact O-ND2 3.13Å; E156-N159 PolarHBondContact O-N 2.79Å; N159-G162 PolarHBondContact O-N 3.35Å
160	L	70.6	Confident	71.6	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-70.5	-43	177.4	-178.7	137.8	0	0	0	112.4	R67 L94 H95 I148 E156 I157 L158 G162 M185	R67-L160 PolarHBondContact NH1-O 3.49Å; L94-L160 HydrophobicContact CB-CD1 3.84Å; H95-L160 HydrophobicContact CB-CD1 3.92Å; I148-L160 HydrophobicContact CD1-CD1 4.34Å; E156-L160 WeakPolarHBondContact O-CB 3.33Å; E156-L160 PolarHBondContact O-N 3.23Å; I157-L160 PolarHBondContact O-N 3.4Å; L158-L160 VanDerWaalsContact C-N 3.31Å; L158-L160 PolarHBondContact O-N 3.44Å; L160-G162 PolarHBondContact O-N 2.83Å; L160-M185 HydrophobicContact CD1-CE 3.88Å; L160-M185 HydrophobicContact CD1-SD 3.94Å; L160-M185 HydrophobicContact CD2-CE 3.31Å; L160-M185 HydrophobicContact CD2-CG 3.86Å; L160-M185 HydrophobicContact CD2-SD 3.65Å; L160-M185 HydrophobicContact CG-CE 4.09Å; L160-M185 HydrophobicContact CG-SD 4Å
161	L	69.2	Low	73.2	Confident	17 Å²	17	45.2 Å²	45.2	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-26.6	171.8	-71.8	164.5	0	0	0	112.4	I157 L158 Y183 T250 H251	I157-L161 HydrophobicContact CG2-CD1 3.91Å; I157-L161 WeakPolarHBondContact O-CB 3.39Å; I157-L161 VanDerWaalsContact O-CG 3.31Å; I157-L161 WeakPolarHBondContact O-CG 3.21Å; I157-L161 PolarHBondContact O-N 3.31Å; L158-L161 PolarHBondContact O-N 3.49Å; L161-Y183 WeakPolarHBondContact O-CD1 3.31Å; L161-T250 HydrophobicContact CD2-CG2 3.49Å; L161-T250 VanDerWaalsContact CD2-CG2 3.49Å; L161-H251 VanDerWaalsContact CD1-CE1 3.46Å; L161-H251 WeakPolarHBondContact CD1-CE1 3.29Å
162	G	68.2	Low	74.8	Confident	22 Å²	22	42.5 Å²	42.5	23%	0.227	22%	0.217	C	C	.	.			trans	71.2	-166.9	174.5	0	0	0	0	0	113.7	L158 N159 L160	L158-G162 PolarHBondContact O-N 3.03Å; N159-G162 PolarHBondContact O-N 3.35Å; L160-G162 PolarHBondContact O-N 2.83Å
163	E	70.6	Confident	76.6	Confident	107 Å²	107	33.6 Å²	33.6	50%	0.5	18%	0.176	S	C	.	.	S	Bend	trans	-65.1	158.2	170.4	-68.8	-178.3	-163.3	0	0	110.9	R165	E163-R165 PolarHBondContact O-N 2.7Å; E163-R165 VanDerWaalsContact O-N 3.14Å
164	V	73.3	Confident	78.2	Confident	32 Å²	32	30.8 Å²	30.8	19%	0.194	17%	0.167	C	C	.	.	S	Bend	trans	-61.6	-27.8	-177.8	-169.6	0	0	0	0	112.3	F121 Y122 L166 Y183	F121-V164 HydrophobicContact CD1-CG1 4.02Å; F121-V164 HydrophobicContact CE1-CG1 3.61Å; F121-V164 HydrophobicContact CZ-CG1 4.47Å; Y122-V164 HydrophobicContact CD1-CB 3.69Å; Y122-V164 HydrophobicContact CD1-CG1 3.39Å; Y122-V164 HydrophobicContact CE1-CB 4.19Å; Y122-V164 HydrophobicContact CE1-CG1 3.84Å; Y122-V164 HydrophobicContact CG-CG1 4.5Å; V164-L166 PolarHBondContact O-N 2.91Å; V164-Y183 PolarHBondContact O-OH 2.93Å
165	R	85.3	Confident	79.6	Confident	55 Å²	55	30.5 Å²	30.5	21%	0.208	17%	0.169	C	C	.	.	S	Bend	trans	-60.9	130.5	-176.7	-168.7	175.8	-91.8	-132.7	9.2	110.7	E110 V111 E114 E163 N167 Y183	E110-R165 HydrophobicContact CG-CG 3.92Å; E110-R165 VanDerWaalsContact OE1-CD 3.29Å; E110-R165 WeakPolarHBondContact OE1-CD 3.3Å; V111-R165 VanDerWaalsContact O-CD 3.26Å; V111-R165 WeakPolarHBondContact O-CD 3.4Å; V111-R165 PolarHBondContact O-NH1 3.17Å; E114-R165 IonicContact OE1-NH2 3.88Å; E114-R165 PolarHBondContact OE1-NH2 3.21Å; E163-R165 PolarHBondContact O-N 2.7Å; E163-R165 VanDerWaalsContact O-N 3.14Å; R165-N167 PolarHBondContact O-N 3.29Å; R165-N167 PolarHBondContact O-ND2 3.31Å; R165-Y183 WeakPolarHBondContact O-CE1 3.32Å
166	L	89.8	Confident	80.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.			trans	-62.5	123	-178.6	-177.6	62	0	0	0	110	V111 V164 I168 A182 Y183 L207 L239 V242 T243 A246	V111-L166 HydrophobicContact CG2-CB 4.13Å; V111-L166 HydrophobicContact CG2-CD2 4.32Å; V111-L166 HydrophobicContact CG2-CG 4.31Å; V111-L166 WeakPolarHBondContact CG2-O 3.39Å; V111-L166 PolarHBondContact N-O 2.98Å; V164-L166 PolarHBondContact O-N 2.91Å; L166-I168 HydrophobicContact CD1-CG1 4.28Å; L166-I168 HydrophobicContact CD2-CD1 4.15Å; L166-I168 HydrophobicContact CD2-CG1 4.43Å; L166-I168 HydrophobicContact CG-CD1 4.35Å; L166-I168 HydrophobicContact CG-CG1 4.12Å; L166-A182 HydrophobicContact CD1-CB 3.93Å; L166-Y183 HydrophobicContact CD1-CE2 3.93Å; L166-L207 HydrophobicContact CD2-CD1 4.18Å; L166-L239 HydrophobicContact CD2-CD1 3.91Å; L166-V242 HydrophobicContact CD2-CG1 4.18Å; L166-T243 HydrophobicContact CB-CG2 4.03Å; L166-A246 HydrophobicContact CD1-CB 4.42Å
167	N	92.8	Very high	81.9	Confident	6 Å²	6	26.8 Å²	26.8	3%	0.032	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.4	167.4	62.2	82.7	0	0	0	108.9	W108 M109 E110 R165 Y183	W108-N167 PolarHBondContact NE1-OD1 3.22Å; M109-N167 CarbonylContact O-C 3.54Å; M109-N167 WeakPolarHBondContact O-CA 3.49Å; M109-N167 WeakPolarHBondContact O-CB 3.49Å; E110-N167 HydrophobicContact CB-CB 4.26Å; R165-N167 PolarHBondContact O-N 3.29Å; R165-N167 PolarHBondContact O-ND2 3.31Å; N167-Y183 WeakPolarHBondContact ND2-CD1 3.41Å; N167-Y183 PolarHBondContact O-N 3.24Å; N167-Y183 WeakPolarHBondContact OD1-CA 3.36Å
168	I	95.5	Very high	83.4	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.9	-172.7	-59.2	168.9	0	0	0	107.8	W108 M109 L166 V170 L180 Y181 I188 L203 L207	W108-I168 WeakPolarHBondContact CA-O 3.35Å; M109-I168 HydrophobicContact CE-CB 3.92Å; M109-I168 HydrophobicContact CE-CD1 4.09Å; M109-I168 HydrophobicContact CE-CG1 3.93Å; M109-I168 PolarHBondContact N-O 2.96Å; M109-I168 PolarHBondContact O-N 3.09Å; L166-I168 HydrophobicContact CD1-CG1 4.28Å; L166-I168 HydrophobicContact CD2-CD1 4.15Å; L166-I168 HydrophobicContact CD2-CG1 4.43Å; L166-I168 HydrophobicContact CG-CD1 4.35Å; L166-I168 HydrophobicContact CG-CG1 4.12Å; I168-V170 HydrophobicContact CG2-CG2 4.11Å; I168-L180 HydrophobicContact CG2-CB 3.88Å; I168-L180 HydrophobicContact CG2-CD2 4.25Å; I168-L180 HydrophobicContact CG2-CG 4.09Å; I168-Y181 WeakPolarHBondContact CA-O 3.39Å; I168-I188 HydrophobicContact CD1-CD1 3.72Å; I168-I188 HydrophobicContact CG1-CD1 4.05Å; I168-I188 HydrophobicContact CG2-CD1 4.19Å; I168-L203 HydrophobicContact CB-CD2 4.03Å; I168-L203 HydrophobicContact CD1-CD2 4.01Å; I168-L203 HydrophobicContact CG2-CD2 3.99Å; I168-L207 HydrophobicContact CD1-CD1 4.14Å; I168-L207 HydrophobicContact CD1-CD2 3.79Å
169	L	96.7	Very high	84.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.3	167.8	175.4	61	0	0	0	108.4	T65 A74 V83 L85 F97 M106 W108 L171 Y181	T65-L169 HydrophobicContact CG2-CD1 3.5Å; T65-L169 VanDerWaalsContact CG2-CD1 3.5Å; A74-L169 HydrophobicContact CB-CD2 4.23Å; V83-L169 HydrophobicContact CG1-CD2 4.43Å; L85-L169 HydrophobicContact CD2-CD2 4.39Å; F97-L169 HydrophobicContact CZ-CD2 4.47Å; M106-L169 HydrophobicContact CE-CD1 4.13Å; M106-L169 HydrophobicContact CE-CD2 4.29Å; W108-L169 HydrophobicContact CB-CD1 4.14Å; W108-L169 HydrophobicContact CD2-CB 4.04Å; W108-L169 HydrophobicContact CD2-CD1 4.1Å; W108-L169 HydrophobicContact CE3-CD1 4.11Å; W108-L169 HydrophobicContact CG-CB 4.17Å; W108-L169 HydrophobicContact CG-CD1 4.18Å; L169-L171 HydrophobicContact CD1-CD2 4.01Å; L169-L171 HydrophobicContact CD2-CD2 4.04Å; L169-L171 HydrophobicContact CG-CD2 3.78Å; L169-L171 HydrophobicContact CG-CG 4.27Å; L169-Y181 PolarHBondContact N-O 3.11Å; L169-Y181 PolarHBondContact O-N 3.35Å
170	V	96.5	Very high	86.3	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.3	176.5	-167.3	0	0	0	0	108.6	M106 N107 I168 V178 E179 L180 L201 L203 L210	M106-V170 WeakPolarHBondContact CA-O 3.48Å; N107-V170 PolarHBondContact N-O 3.42Å; N107-V170 PolarHBondContact O-N 3.08Å; I168-V170 HydrophobicContact CG2-CG2 4.11Å; V170-V178 HydrophobicContact CG1-CG1 3.9Å; V170-E179 WeakPolarHBondContact CA-O 3.36Å; V170-L180 HydrophobicContact CG1-CD1 4.09Å; V170-L180 HydrophobicContact CG1-CG 4.31Å; V170-L180 HydrophobicContact CG2-CG 4.22Å; V170-L201 HydrophobicContact CG1-CD1 4.23Å; V170-L203 HydrophobicContact CG2-CB 3.86Å; V170-L203 HydrophobicContact CG2-CD2 3.73Å; V170-L203 HydrophobicContact CG2-CG 4.43Å; V170-L210 HydrophobicContact CG1-CD1 4.18Å; V170-L210 HydrophobicContact CG1-CD2 4.2Å
171	L	95.6	Very high	87.4	Confident	1 Å²	1	20 Å²	20	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.3	-178.5	-54.5	177.6	0	0	0	108.7	V83 F97 M99 V103 M106 L169 V178 E179 Y181	V83-L171 HydrophobicContact CG2-CD1 3.91Å; V83-L171 HydrophobicContact CG2-CD2 4.34Å; F97-L171 HydrophobicContact CE2-CD1 3.87Å; F97-L171 HydrophobicContact CZ-CD1 4.16Å; M99-L171 HydrophobicContact CE-CB 4.03Å; M99-L171 HydrophobicContact CE-CD1 3.61Å; M99-L171 HydrophobicContact CE-CG 4.49Å; M99-L171 HydrophobicContact SD-CD1 3.54Å; M99-L171 VanDerWaalsContact SD-CD1 3.54Å; V103-L171 HydrophobicContact CG1-CD2 4.43Å; M106-L171 HydrophobicContact CB-CD2 4.31Å; M106-L171 HydrophobicContact CE-CD2 3.53Å; M106-L171 HydrophobicContact CG-CD2 3.71Å; M106-L171 HydrophobicContact SD-CD2 4.35Å; L169-L171 HydrophobicContact CD1-CD2 4.01Å; L169-L171 HydrophobicContact CD2-CD2 4.04Å; L169-L171 HydrophobicContact CG-CD2 3.78Å; L169-L171 HydrophobicContact CG-CG 4.27Å; L171-V178 CarbonylContact O-C 3.56Å; L171-V178 VanDerWaalsContact O-CA 3.26Å; L171-V178 WeakPolarHBondContact O-CA 3.46Å; L171-E179 PolarHBondContact N-O 3.05Å; L171-E179 PolarHBondContact O-N 3.4Å; L171-Y181 HydrophobicContact CD1-CD2 3.67Å; L171-Y181 HydrophobicContact CD1-CE2 3.63Å; L171-Y181 HydrophobicContact CG-CD2 4.28Å
172	G	93.3	Very high	88.6	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.4	172.7	0	0	0	0	0	110.3	V103 T104 C105 L201	V103-G172 CarbonylContact C-O 3.57Å; V103-G172 WeakPolarHBondContact CA-O 3.46Å; T104-G172 PolarHBondContact N-O 3.27Å; T104-G172 PolarHBondContact OG1-O 2.96Å; T104-G172 VanDerWaalsContact OG1-O 3.08Å; C105-G172 PolarHBondContact N-O 3.44Å; C105-G172 PolarHBondContact O-N 3.29Å; G172-L201 VanDerWaalsContact N-CD1 3.29Å
173	G	90.3	Very high	89.7	Confident	2 Å²	2	18.4 Å²	18.4	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	170.1	179.7	0	0	0	0	0	114.2	S102 A175 G176 C177 C198	S102-G173 WeakPolarHBondContact O-CA 3.22Å; G173-A175 VanDerWaalsContact C-N 3.31Å; G173-G176 PolarHBondContact O-N 3.46Å; G173-C177 PolarHBondContact N-O 3.49Å; G173-C198 PolarHBondContact O-N 3.09Å; G173-C198 VanDerWaalsContact O-N 3.1Å
174	D	86.4	Confident	90.6	Very high	78 Å²	78	13.3 Å²	13.3	42%	0.417	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.8	172.3	56.3	-7.7	0	0	0	114	S101 S102 T104 G176 S197	S101-D174 WeakPolarHBondContact CB-OD1 3.27Å; S101-D174 PolarHBondContact OG-OD1 2.75Å; S102-D174 PolarHBondContact N-OD1 3.32Å; S102-D174 PolarHBondContact O-N 3.47Å; S102-D174 VanDerWaalsContact O-N 3.13Å; T104-D174 HydrophobicContact CG2-CB 3.87Å; D174-G176 VanDerWaalsContact C-N 3.26Å; D174-G176 PolarHBondContact O-N 3.07Å; D174-S197 WeakPolarHBondContact O-CA 3.11Å
175	A	82.3	Confident	91.3	Very high	56 Å²	56	12.6 Å²	12.6	46%	0.463	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	13.2	177.2	0	0	0	0	0	113.5	G173 C177	G173-A175 VanDerWaalsContact C-N 3.31Å; A175-C177 PolarHBondContact O-N 2.95Å
176	G	83.1	Confident	91.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	70.7	9.7	-177.3	0	0	0	0	0	114.3	G173 D174 V194 G196	G173-G176 PolarHBondContact O-N 3.46Å; D174-G176 VanDerWaalsContact C-N 3.26Å; D174-G176 PolarHBondContact O-N 3.07Å; G176-V194 VanDerWaalsContact CA-O 3.31Å; G176-V194 WeakPolarHBondContact CA-O 3.17Å; G176-V194 PolarHBondContact O-N 3.46Å; G176-G196 WeakPolarHBondContact CA-O 3.4Å; G176-G196 PolarHBondContact N-O 2.84Å
177	C	88.3	Confident	91.8	Very high	23 Å²	23	12.9 Å²	12.9	16%	0.155	7%	0.074	C	C	.	.			trans	-74.7	133.7	172.1	64.4	0	0	0	0	109.7	S101 G173 A175	S101-C177 PolarHBondContact OG-SG 3.28Å; G173-C177 PolarHBondContact N-O 3.49Å; A175-C177 PolarHBondContact O-N 2.95Å
178	V	93.7	Very high	91.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.4	177.1	-178.7	0	0	0	0	108.8	V170 L171 L180 L191 V194 L201 L210 L212	V170-V178 HydrophobicContact CG1-CG1 3.9Å; L171-V178 CarbonylContact O-C 3.56Å; L171-V178 VanDerWaalsContact O-CA 3.26Å; L171-V178 WeakPolarHBondContact O-CA 3.46Å; V178-L180 HydrophobicContact CG1-CD1 4.19Å; V178-L191 HydrophobicContact CB-CB 4.07Å; V178-L191 HydrophobicContact CB-CD1 3.98Å; V178-L191 HydrophobicContact CB-CG 4.25Å; V178-L191 HydrophobicContact CG1-CD1 3.87Å; V178-L191 HydrophobicContact CG1-CG 4.46Å; V178-L191 PolarHBondContact N-O 2.86Å; V178-L191 WeakPolarHBondContact O-CB 3.42Å; V178-L191 PolarHBondContact O-N 3.42Å; V178-V194 HydrophobicContact CG2-CG2 4.08Å; V178-L201 HydrophobicContact CG1-CD2 4.44Å; V178-L210 HydrophobicContact CG1-CD2 3.91Å; V178-L212 HydrophobicContact CG2-CD2 3.59Å
179	E	94.7	Very high	91.8	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.019	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	-178.4	-58.3	-161.3	135.2	0	0	110.7	M99 V170 L171 Y181 K187 A189 S190	M99-E179 HydrophobicContact CE-CB 4.32Å; M99-E179 HydrophobicContact CE-CG 4.2Å; M99-E179 WeakPolarHBondContact CE-OE2 3.4Å; V170-E179 WeakPolarHBondContact CA-O 3.36Å; L171-E179 PolarHBondContact N-O 3.05Å; L171-E179 PolarHBondContact O-N 3.4Å; E179-Y181 HydrophobicContact CB-CD2 4.17Å; E179-Y181 HydrophobicContact CB-CE2 3.66Å; E179-Y181 WeakPolarHBondContact OE2-CE2 3.4Å; E179-Y181 PolarHBondContact OE2-OH 3.12Å; E179-Y181 VanDerWaalsContact OE2-OH 3.11Å; E179-K187 HydrophobicContact CB-CD 4.22Å; E179-K187 HydrophobicContact CG-CD 4.28Å; E179-K187 WeakPolarHBondContact OE1-CD 3.05Å; E179-K187 IonicContact OE1-NZ 3.34Å; E179-K187 PolarHBondContact OE1-NZ 3.29Å; E179-K187 IonicContact OE2-NZ 2.66Å; E179-A189 WeakPolarHBondContact CA-O 3.44Å; E179-S190 PolarHBondContact OE1-OG 3.31Å
180	L	95.8	Very high	91.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.8	178.5	-77.4	68.6	0	0	0	109	I168 V170 V178 K187 I188 A189 L191 L203 L210 L235	I168-L180 HydrophobicContact CG2-CB 3.88Å; I168-L180 HydrophobicContact CG2-CD2 4.25Å; I168-L180 HydrophobicContact CG2-CG 4.09Å; V170-L180 HydrophobicContact CG1-CD1 4.09Å; V170-L180 HydrophobicContact CG1-CG 4.31Å; V170-L180 HydrophobicContact CG2-CG 4.22Å; V178-L180 HydrophobicContact CG1-CD1 4.19Å; L180-K187 CarbonylContact O-C 3.57Å; L180-K187 WeakPolarHBondContact O-CA 3.46Å; L180-I188 HydrophobicContact CB-CD1 4.04Å; L180-I188 HydrophobicContact CB-CG1 3.66Å; L180-I188 HydrophobicContact CD2-CD1 4.39Å; L180-I188 VanDerWaalsContact O-CG1 3.25Å; L180-I188 WeakPolarHBondContact O-CG1 3.25Å; L180-I188 PolarHBondContact O-N 3.4Å; L180-A189 HydrophobicContact CB-CB 4.14Å; L180-A189 HydrophobicContact CD1-CB 4.44Å; L180-A189 HydrophobicContact CD2-CB 4.5Å; L180-A189 PolarHBondContact N-O 3.36Å; L180-A189 PolarHBondContact O-N 3.14Å; L180-L191 HydrophobicContact CD1-CD1 3.99Å; L180-L191 HydrophobicContact CD1-CG 4.23Å; L180-L203 HydrophobicContact CD2-CD2 4.34Å; L180-L210 HydrophobicContact CD1-CD2 4.42Å; L180-L235 HydrophobicContact CD2-CD1 3.94Å
181	Y	95.3	Very high	91.2	Very high	15 Å²	15	14.9 Å²	14.9	6%	0.059	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.5	180	-76.6	-103.5	0	0	0	110.4	F97 M99 I168 L169 L171 E179 G184 Y186 K187	F97-Y181 HydrophobicContact CD2-CD1 4.5Å; F97-Y181 AromaticContact CD2-CE1 3.71Å; F97-Y181 HydrophobicContact CD2-CE1 3.71Å; F97-Y181 AromaticContact CD2-CZ 3.81Å; F97-Y181 AromaticContact CE2-CD1 3.94Å; F97-Y181 HydrophobicContact CE2-CD1 3.94Å; F97-Y181 HydrophobicContact CE2-CD2 4.33Å; F97-Y181 AromaticContact CE2-CE1 3.46Å; F97-Y181 HydrophobicContact CE2-CE1 3.46Å; F97-Y181 VanDerWaalsContact CE2-CE1 3.46Å; F97-Y181 AromaticContact CE2-CE2 3.93Å; F97-Y181 HydrophobicContact CE2-CE2 3.93Å; F97-Y181 HydrophobicContact CE2-CG 4.34Å; F97-Y181 AromaticContact CE2-CZ 3.46Å; F97-Y181 VanDerWaalsContact CE2-CZ 3.46Å; F97-Y181 HydrophobicContact CG-CE1 4.37Å; F97-Y181 AromaticContact CZ-CD1 3.95Å; F97-Y181 HydrophobicContact CZ-CD1 3.95Å; F97-Y181 AromaticContact CZ-CE1 3.95Å; F97-Y181 HydrophobicContact CZ-CE1 3.95Å; F97-Y181 HydrophobicContact CZ-CG 4.25Å; M99-Y181 HydrophobicContact SD-CE2 4.19Å; I168-Y181 WeakPolarHBondContact CA-O 3.39Å; L169-Y181 PolarHBondContact N-O 3.11Å; L169-Y181 PolarHBondContact O-N 3.35Å; L171-Y181 HydrophobicContact CD1-CD2 3.67Å; L171-Y181 HydrophobicContact CD1-CE2 3.63Å; L171-Y181 HydrophobicContact CG-CD2 4.28Å; E179-Y181 HydrophobicContact CB-CD2 4.17Å; E179-Y181 HydrophobicContact CB-CE2 3.66Å; E179-Y181 WeakPolarHBondContact OE2-CE2 3.4Å; E179-Y181 PolarHBondContact OE2-OH 3.12Å; E179-Y181 VanDerWaalsContact OE2-OH 3.11Å; Y181-G184 PolarHBondContact O-N 3.38Å; Y181-Y186 CarbonylContact C-O 3.58Å; Y181-Y186 VanDerWaalsContact CA-O 3.31Å; Y181-Y186 WeakPolarHBondContact CA-O 3.29Å; Y181-K187 HydrophobicContact CD1-CB 4.19Å; Y181-K187 HydrophobicContact CE1-CB 3.91Å; Y181-K187 HydrophobicContact CE2-CB 4.43Å; Y181-K187 HydrophobicContact CE2-CD 4.09Å; Y181-K187 HydrophobicContact CE2-CG 4.31Å
182	A	93.2	Very high	89.9	Confident	0 Å²	0	18 Å²	18	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	134.4	171.8	0	0	0	0	0	110.6	L166 G184 M185 Y186 I188 A246	L166-A182 HydrophobicContact CD1-CB 3.93Å; A182-G184 PolarHBondContact O-N 2.96Å; A182-M185 PolarHBondContact O-N 2.89Å; A182-Y186 PolarHBondContact N-O 2.95Å; A182-Y186 PolarHBondContact O-N 3.39Å; A182-Y186 VanDerWaalsContact O-N 3.08Å; A182-I188 HydrophobicContact CB-CG2 3.5Å; A182-I188 VanDerWaalsContact CB-CG2 3.5Å; A182-A246 HydrophobicContact CB-CB 3.59Å
183	Y	90.7	Very high	88.8	Confident	5 Å²	5	26.2 Å²	26.2	2%	0.02	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	14.1	-174.2	-52.8	-80.1	0	0	0	114	L161 V164 R165 L166 N167 M185 A246 R247	L161-Y183 WeakPolarHBondContact O-CD1 3.31Å; V164-Y183 PolarHBondContact O-OH 2.93Å; R165-Y183 WeakPolarHBondContact O-CE1 3.32Å; L166-Y183 HydrophobicContact CD1-CE2 3.93Å; N167-Y183 WeakPolarHBondContact ND2-CD1 3.41Å; N167-Y183 PolarHBondContact O-N 3.24Å; N167-Y183 WeakPolarHBondContact OD1-CA 3.36Å; Y183-M185 PolarHBondContact O-N 2.87Å; Y183-A246 HydrophobicContact CE2-CB 4.25Å; Y183-R247 HydrophobicContact CE2-CB 4.24Å
184	G	90.2	Very high	88.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	4.9	-172.2	0	0	0	0	0	114.9	F97 Y181 A182	F97-G184 VanDerWaalsContact CE1-O 3.26Å; F97-G184 WeakPolarHBondContact CE1-O 3.42Å; Y181-G184 PolarHBondContact O-N 3.38Å; A182-G184 PolarHBondContact O-N 2.96Å
185	M	88.4	Confident	88.3	Confident	18 Å²	18	25.9 Å²	25.9	9%	0.089	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-49.8	-170.8	-56.7	-65.5	-77.3	0	0	112.6	L85 H95 L160 A182 Y183 T250	L85-M185 HydrophobicContact CD1-SD 3.64Å; H95-M185 HydrophobicContact CB-CE 3.86Å; H95-M185 HydrophobicContact CB-SD 3.92Å; H95-M185 VanDerWaalsContact CD2-CE 3.43Å; H95-M185 WeakPolarHBondContact CD2-CE 3.46Å; H95-M185 PolarHBondContact CD2-SD 3.33Å; L160-M185 HydrophobicContact CD1-CE 3.88Å; L160-M185 HydrophobicContact CD1-SD 3.94Å; L160-M185 HydrophobicContact CD2-CE 3.31Å; L160-M185 HydrophobicContact CD2-CG 3.86Å; L160-M185 HydrophobicContact CD2-SD 3.65Å; L160-M185 HydrophobicContact CG-CE 4.09Å; L160-M185 HydrophobicContact CG-SD 4Å; A182-M185 PolarHBondContact O-N 2.89Å; Y183-M185 PolarHBondContact O-N 2.87Å; M185-T250 HydrophobicContact CB-CG2 3.7Å; M185-T250 HydrophobicContact CG-CG2 3.95Å
186	Y	91.2	Very high	88.4	Confident	7 Å²	7	24.6 Å²	24.6	3%	0.027	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.3	-174.1	172.9	-112.9	0	0	0	111.2	Y181 A182 I188 A246 F249 L531	Y181-Y186 CarbonylContact C-O 3.58Å; Y181-Y186 VanDerWaalsContact CA-O 3.31Å; Y181-Y186 WeakPolarHBondContact CA-O 3.29Å; A182-Y186 PolarHBondContact N-O 2.95Å; A182-Y186 PolarHBondContact O-N 3.39Å; A182-Y186 VanDerWaalsContact O-N 3.08Å; Y186-I188 HydrophobicContact CD1-CG2 3.52Å; Y186-I188 HydrophobicContact CE1-CB 4.49Å; Y186-I188 HydrophobicContact CE1-CG2 3.62Å; Y186-I188 PolarHBondContact O-N 2.85Å; Y186-I188 VanDerWaalsContact O-N 3.16Å; Y186-A246 HydrophobicContact CD1-CB 4.18Å; Y186-F249 HydrophobicContact CD1-CB 3.88Å; Y186-F249 HydrophobicContact CD1-CD2 4.24Å; Y186-F249 HydrophobicContact CD2-CB 3.7Å; Y186-F249 HydrophobicContact CD2-CG 4.46Å; Y186-F249 HydrophobicContact CE1-CB 3.94Å; Y186-F249 AromaticContact CE1-CD2 3.46Å; Y186-F249 HydrophobicContact CE1-CD2 3.46Å; Y186-F249 VanDerWaalsContact CE1-CD2 3.46Å; Y186-F249 HydrophobicContact CE1-CE2 4.36Å; Y186-F249 HydrophobicContact CE1-CG 4.17Å; Y186-F249 HydrophobicContact CE2-CB 3.77Å; Y186-F249 AromaticContact CE2-CD2 3.85Å; Y186-F249 HydrophobicContact CE2-CD2 3.85Å; Y186-F249 HydrophobicContact CE2-CG 4.04Å; Y186-F249 HydrophobicContact CG-CB 3.75Å; Y186-F249 AromaticContact CZ-CD2 3.23Å; Y186-F249 AromaticContact CZ-CE2 3.92Å; Y186-F249 AromaticContact CZ-CG 3.87Å; Y186-F249 WeakPolarHBondContact OH-CD2 3.43Å; Y186-F249 WeakPolarHBondContact OH-CE2 3.37Å; Y186-L531 HydrophobicContact CD2-CD2 4.01Å; Y186-L531 HydrophobicContact CE2-CB 3.98Å; Y186-L531 HydrophobicContact CE2-CD2 3.56Å; Y186-L531 HydrophobicContact CE2-CG 4.38Å; Y186-L531 PolarHBondContact OH-O 2.75Å
187	K	93.6	Very high	88.7	Confident	53 Å²	53	25.9 Å²	25.9	23%	0.23	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	109.3	176.1	-174.3	160.7	67.5	-176.4	0	110.6	E179 L180 Y181 A535	E179-K187 HydrophobicContact CB-CD 4.22Å; E179-K187 HydrophobicContact CG-CD 4.28Å; E179-K187 WeakPolarHBondContact OE1-CD 3.05Å; E179-K187 IonicContact OE1-NZ 3.34Å; E179-K187 PolarHBondContact OE1-NZ 3.29Å; E179-K187 IonicContact OE2-NZ 2.66Å; L180-K187 CarbonylContact O-C 3.57Å; L180-K187 WeakPolarHBondContact O-CA 3.46Å; Y181-K187 HydrophobicContact CD1-CB 4.19Å; Y181-K187 HydrophobicContact CE1-CB 3.91Å; Y181-K187 HydrophobicContact CE2-CB 4.43Å; Y181-K187 HydrophobicContact CE2-CD 4.09Å; Y181-K187 HydrophobicContact CE2-CG 4.31Å; K187-A535 HydrophobicContact CG-CB 4.23Å
188	I	94.3	Very high	88.9	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-22.4	179.2	56	164.2	0	0	0	113.4	I168 L180 A182 Y186 L235 A246 A535 I538	I168-I188 HydrophobicContact CD1-CD1 3.72Å; I168-I188 HydrophobicContact CG1-CD1 4.05Å; I168-I188 HydrophobicContact CG2-CD1 4.19Å; L180-I188 HydrophobicContact CB-CD1 4.04Å; L180-I188 HydrophobicContact CB-CG1 3.66Å; L180-I188 HydrophobicContact CD2-CD1 4.39Å; L180-I188 VanDerWaalsContact O-CG1 3.25Å; L180-I188 WeakPolarHBondContact O-CG1 3.25Å; L180-I188 PolarHBondContact O-N 3.4Å; A182-I188 HydrophobicContact CB-CG2 3.5Å; A182-I188 VanDerWaalsContact CB-CG2 3.5Å; Y186-I188 HydrophobicContact CD1-CG2 3.52Å; Y186-I188 HydrophobicContact CE1-CB 4.49Å; Y186-I188 HydrophobicContact CE1-CG2 3.62Å; Y186-I188 PolarHBondContact O-N 2.85Å; Y186-I188 VanDerWaalsContact O-N 3.16Å; I188-L235 HydrophobicContact CD1-CD2 4.45Å; I188-A246 HydrophobicContact CG2-CB 4.07Å; I188-A535 WeakPolarHBondContact O-CA 3.38Å; I188-I538 WeakPolarHBondContact O-CD1 3.41Å
189	A	94.1	Very high	88.6	Confident	1 Å²	1	27 Å²	27	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	142.2	177.4	0	0	0	0	0	110.6	E179 L180 L191 A535 I538	E179-A189 WeakPolarHBondContact CA-O 3.44Å; L180-A189 HydrophobicContact CB-CB 4.14Å; L180-A189 HydrophobicContact CD1-CB 4.44Å; L180-A189 HydrophobicContact CD2-CB 4.5Å; L180-A189 PolarHBondContact N-O 3.36Å; L180-A189 PolarHBondContact O-N 3.14Å; A189-L191 HydrophobicContact CB-CD2 4.28Å; A189-A535 WeakPolarHBondContact CA-O 3.48Å; A189-I538 HydrophobicContact CB-CB 4.34Å; A189-I538 HydrophobicContact CB-CG2 3.76Å
190	S	91.8	Very high	88.4	Confident	41 Å²	41	28 Å²	28	29%	0.287	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113.9	165.7	-174.6	0	0	0	0	107.4	E179 A535 G539	E179-S190 PolarHBondContact OE1-OG 3.31Å; S190-A535 PolarHBondContact N-O 3.2Å; S190-G539 WeakPolarHBondContact O-CA 3.32Å
191	L	88.4	Confident	88.3	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.6	-178.5	-46.7	-177.1	0	0	0	108.2	V178 L180 A189 L210 L230 V542	V178-L191 HydrophobicContact CB-CB 4.07Å; V178-L191 HydrophobicContact CB-CD1 3.98Å; V178-L191 HydrophobicContact CB-CG 4.25Å; V178-L191 HydrophobicContact CG1-CD1 3.87Å; V178-L191 HydrophobicContact CG1-CG 4.46Å; V178-L191 PolarHBondContact N-O 2.86Å; V178-L191 WeakPolarHBondContact O-CB 3.42Å; V178-L191 PolarHBondContact O-N 3.42Å; L180-L191 HydrophobicContact CD1-CD1 3.99Å; L180-L191 HydrophobicContact CD1-CG 4.23Å; A189-L191 HydrophobicContact CB-CD2 4.28Å; L191-L210 HydrophobicContact CD1-CD2 3.84Å; L191-L230 HydrophobicContact CD1-CD1 3.7Å; L191-V542 HydrophobicContact CD1-CG1 4.22Å; L191-V542 HydrophobicContact CD2-CB 3.7Å; L191-V542 HydrophobicContact CD2-CG1 3.91Å; L191-V542 HydrophobicContact CD2-CG2 3.67Å
192	G	69.8	Low	88.3	Confident	65 Å²	65	28.1 Å²	28.1	67%	0.67	17%	0.173	S	C	*	.			trans	-66.7	161.4	175.3	0	0	0	0	0	112.5	V194	G192-V194 PolarHBondContact O-N 3.34Å
193	E	68.8	Low	88.4	Confident	174 Å²	174	28.2 Å²	28.2	81%	0.813	17%	0.173	S	C	*	.			trans	-36.5	95.4	-169.6	-64.2	175.5	-178.7	0	0	114
194	V	81.8	Confident	88.6	Confident	10 Å²	10	28 Å²	28	6%	0.061	17%	0.172	C	C	.	.			trans	-62.9	138.5	157	-173	0	0	0	0	106.2	G176 V178 G192 G196 L212 T214 V228 L230	G176-V194 VanDerWaalsContact CA-O 3.31Å; G176-V194 WeakPolarHBondContact CA-O 3.17Å; G176-V194 PolarHBondContact O-N 3.46Å; V178-V194 HydrophobicContact CG2-CG2 4.08Å; G192-V194 PolarHBondContact O-N 3.34Å; V194-G196 PolarHBondContact O-N 3.15Å; V194-L212 HydrophobicContact CG2-CD2 4.4Å; V194-T214 HydrophobicContact CG1-CG2 3.73Å; V194-V228 HydrophobicContact CG1-CG1 4.39Å; V194-V228 HydrophobicContact CG1-CG2 4.3Å; V194-L230 HydrophobicContact CG2-CD1 4.21Å
195	S	84.3	Confident	88.7	Confident	63 Å²	63	28.2 Å²	28.2	44%	0.441	17%	0.174	S	C	.	.	S	Bend	trans	-61.8	127.6	-178.5	-56.6	0	0	0	0	110.8	T214 V216	S195-T214 WeakPolarHBondContact O-CB 3.21Å; S195-V216 WeakPolarHBondContact O-CG2 3.48Å
196	G	86	Confident	88.8	Confident	29 Å²	29	27.5 Å²	27.5	30%	0.299	17%	0.171	S	C	.	.	S	Bend	trans	84	-173.3	173.7	0	0	0	0	0	115.6	G176 V194 E215	G176-G196 WeakPolarHBondContact CA-O 3.4Å; G176-G196 PolarHBondContact N-O 2.84Å; V194-G196 PolarHBondContact O-N 3.15Å; G196-E215 CarbonylContact C-O 3.58Å; G196-E215 WeakPolarHBondContact CA-O 3.36Å
197	S	89.3	Confident	88.9	Confident	28 Å²	28	27.1 Å²	27.1	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.9	-179.7	176.2	0	0	0	0	110.9	D174 R199 T214 E215	D174-S197 WeakPolarHBondContact O-CA 3.11Å; S197-R199 PolarHBondContact O-N 3.37Å; S197-T214 CarbonylContact O-C 3.59Å; S197-T214 VanDerWaalsContact O-CA 3.29Å; S197-T214 WeakPolarHBondContact O-CA 3.36Å; S197-E215 PolarHBondContact N-O 3.45Å; S197-E215 PolarHBondContact O-N 3.44Å
198	C	90.8	Very high	88.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.6	177.8	-63.1	0	0	0	0	110.5	T104 C105 G173	T104-C198 WeakPolarHBondContact CB-O 3.35Å; T104-C198 PolarHBondContact OG1-O 3.19Å; C105-C198 VanDerWaalsContact SG-CB 3.58Å; G173-C198 PolarHBondContact O-N 3.09Å; G173-C198 VanDerWaalsContact O-N 3.1Å
199	R	89.1	Confident	88.9	Confident	47 Å²	47	27.6 Å²	27.6	18%	0.177	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-39	174.8	-66.6	-59.3	-158.5	110.4	-7.3	112.6	C105 S197 I213 E215 H562 E565	C105-R199 WeakPolarHBondContact CB-O 3.06Å; S197-R199 PolarHBondContact O-N 3.37Å; R199-I213 HydrophobicContact CB-CG2 4.21Å; R199-I213 PolarHBondContact N-O 2.97Å; R199-E215 HydrophobicContact CG-CB 4.17Å; R199-E215 IonicContact CZ-OE2 3.97Å; R199-E215 IonicContact NE-OE2 3.32Å; R199-E215 PolarHBondContact NE-OE2 3.47Å; R199-E215 IonicContact NH2-OE1 2.78Å; R199-E215 IonicContact NH2-OE2 3.35Å; R199-E215 PolarHBondContact NH2-OE2 3.04Å; R199-H562 VanDerWaalsContact CZ-ND1 3.35Å; R199-H562 VanDerWaalsContact NH1-CB 3.32Å; R199-H562 PolarHBondContact NH1-ND1 3.05Å; R199-H562 PolarHBondContact NH2-CE1 2.94Å; R199-H562 PolarHBondContact NH2-ND1 3.27Å; R199-E565 IonicContact NH1-OE2 2.76Å; R199-E565 PolarHBondContact NH1-OE2 3.42Å
200	S	90	Very high	89	Confident	25 Å²	25	27.6 Å²	27.6	18%	0.175	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.1	179.8	-168.3	0	0	0	0	111.2	L212 I213	S200-L212 WeakPolarHBondContact O-CA 3.23Å; S200-I213 PolarHBondContact N-O 3.08Å; S200-I213 PolarHBondContact O-N 3.23Å
201	L	93.1	Very high	89.2	Confident	10 Å²	10	25.6 Å²	25.6	5%	0.052	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.6	-176.4	-59.9	158.2	0	0	0	111	C105 N107 V170 G172 V178 S211 L212	C105-L201 HydrophobicContact CB-CD1 4.4Å; C105-L201 WeakPolarHBondContact SG-CD1 3.2Å; N107-L201 HydrophobicContact CB-CB 4.41Å; N107-L201 WeakPolarHBondContact CB-O 3.44Å; N107-L201 PolarHBondContact ND2-O 3.3Å; V170-L201 HydrophobicContact CG1-CD1 4.23Å; G172-L201 VanDerWaalsContact N-CD1 3.29Å; V178-L201 HydrophobicContact CG1-CD2 4.44Å; L201-S211 WeakPolarHBondContact CA-O 3.24Å; L201-L212 HydrophobicContact CD2-CB 4.21Å; L201-L212 HydrophobicContact CD2-CD2 3.16Å; L201-L212 HydrophobicContact CD2-CG 3.58Å
202	S	94.8	Very high	89.5	Confident	7 Å²	7	25.3 Å²	25.3	5%	0.049	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	106.1	172.1	-175.6	0	0	0	0	111.8	N107 S211 H578	N107-S202 WeakPolarHBondContact ND2-CA 3.19Å; S202-S211 WeakPolarHBondContact CB-OG 3.48Å; S202-S211 PolarHBondContact N-O 3.38Å; S202-S211 PolarHBondContact O-N 2.92Å; S202-S211 PolarHBondContact O-OG 2.99Å; S202-S211 VanDerWaalsContact O-OG 3.07Å; S202-H578 PolarHBondContact O-CE1 2.99Å; S202-H578 VanDerWaalsContact O-CE1 3.27Å
203	L	95.6	Very high	90.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.7	173.2	176.9	62.7	0	0	0	109.5	N107 M109 I168 V170 L180 L207 L210	N107-L203 PolarHBondContact ND2-N 2.87Å; M109-L203 HydrophobicContact CG-CB 3.94Å; M109-L203 HydrophobicContact CG-CD2 3.66Å; M109-L203 HydrophobicContact CG-CG 3.91Å; M109-L203 HydrophobicContact SD-CD2 3.72Å; M109-L203 HydrophobicContact SD-CG 3.89Å; I168-L203 HydrophobicContact CB-CD2 4.03Å; I168-L203 HydrophobicContact CD1-CD2 4.01Å; I168-L203 HydrophobicContact CG2-CD2 3.99Å; V170-L203 HydrophobicContact CG2-CB 3.86Å; V170-L203 HydrophobicContact CG2-CD2 3.73Å; V170-L203 HydrophobicContact CG2-CG 4.43Å; L180-L203 HydrophobicContact CD2-CD2 4.34Å; L203-L207 HydrophobicContact CD1-CD2 4.26Å; L203-L207 HydrophobicContact CD2-CD2 3.88Å; L203-L207 HydrophobicContact CG-CD2 4.05Å; L203-L210 HydrophobicContact CB-CD1 3.91Å; L203-L210 HydrophobicContact CD1-CB 4.14Å; L203-L210 HydrophobicContact CD1-CD1 4.49Å
204	S	94.9	Very high	91.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.			trans	-71	144.4	-178	68.3	0	0	0	0	112.5	D206 L207 K208 S209 T599	S204-D206 WeakPolarHBondContact CB-OD1 3.13Å; S204-D206 PolarHBondContact O-N 3.17Å; S204-D206 VanDerWaalsContact O-N 3.13Å; S204-D206 PolarHBondContact OG-OD1 2.83Å; S204-L207 PolarHBondContact O-N 3.06Å; S204-L207 PolarHBondContact OG-N 3.31Å; S204-K208 PolarHBondContact OG-N 3.41Å; S204-K208 VanDerWaalsContact OG-N 3.09Å; S204-S209 WeakPolarHBondContact CB-O 3.31Å; S204-S209 PolarHBondContact N-O 2.9Å; S204-S209 PolarHBondContact OG-N 3.29Å; S204-S209 PolarHBondContact OG-O 3.36Å; S204-S209 VanDerWaalsContact OG-O 3.09Å; S204-T599 VanDerWaalsContact CB-CG2 3.48Å
205	S	91.9	Very high	92.1	Very high	6 Å²	6	15.2 Å²	15.2	4%	0.042	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.4	178.1	64.1	0	0	0	0	115.1	V112 N571	V112-S205 PolarHBondContact N-O 3.39Å; S205-N571 PolarHBondContact N-OD1 3Å; S205-N571 PolarHBondContact OG-OD1 3.45Å
206	D	91.4	Very high	92.4	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.011	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	2.7	173.1	63.2	1.7	0	0	0	113.2	E113 S204 K208 S236 T599	E113-D206 HydrophobicContact CG-CB 4.03Å; E113-D206 WeakPolarHBondContact OE1-CB 3.4Å; S204-D206 WeakPolarHBondContact CB-OD1 3.13Å; S204-D206 PolarHBondContact O-N 3.17Å; S204-D206 VanDerWaalsContact O-N 3.13Å; S204-D206 PolarHBondContact OG-OD1 2.83Å; D206-K208 HydrophobicContact CB-CG 4.38Å; D206-K208 PolarHBondContact O-N 3.08Å; D206-K208 PolarHBondContact OD1-N 2.93Å; D206-S236 VanDerWaalsContact O-CB 3.26Å; D206-S236 WeakPolarHBondContact O-CB 3.12Å; D206-S236 PolarHBondContact O-OG 2.94Å; D206-T599 WeakPolarHBondContact OD2-CB 3.46Å; D206-T599 PolarHBondContact OD2-OG1 3.14Å
207	L	93.3	Very high	92.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	55.5	16.4	-177.7	-53.8	-173.4	0	0	0	115.7	M109 V111 L166 I168 L203 S204 T232 L235 L239	M109-L207 HydrophobicContact CE-CD2 4.04Å; M109-L207 HydrophobicContact SD-CD2 3.71Å; V111-L207 HydrophobicContact CG2-CD1 3.84Å; V111-L207 HydrophobicContact CG2-CD2 3.97Å; V111-L207 HydrophobicContact CG2-CG 3.88Å; L166-L207 HydrophobicContact CD2-CD1 4.18Å; I168-L207 HydrophobicContact CD1-CD1 4.14Å; I168-L207 HydrophobicContact CD1-CD2 3.79Å; L203-L207 HydrophobicContact CD1-CD2 4.26Å; L203-L207 HydrophobicContact CD2-CD2 3.88Å; L203-L207 HydrophobicContact CG-CD2 4.05Å; S204-L207 PolarHBondContact O-N 3.06Å; S204-L207 PolarHBondContact OG-N 3.31Å; L207-T232 CarbonylContact O-C 3.58Å; L207-T232 WeakPolarHBondContact O-CB 3.32Å; L207-T232 PolarHBondContact O-OG1 2.98Å; L207-L235 HydrophobicContact CB-CB 3.95Å; L207-L235 HydrophobicContact CD1-CB 4.01Å; L207-L239 HydrophobicContact CD1-CD1 3.52Å; L207-L239 HydrophobicContact CG-CD1 4.49Å
208	K	93	Very high	91.7	Very high	63 Å²	63	19.6 Å²	19.6	27%	0.274	10%	0.099	S	C	.	.	S	Bend	trans	-75.8	-31.6	179.4	-69	-171.8	176.4	-167.9	0	113.7	S204 D206 T232 S233 S236 T599 D600	S204-K208 PolarHBondContact OG-N 3.41Å; S204-K208 VanDerWaalsContact OG-N 3.09Å; D206-K208 HydrophobicContact CB-CG 4.38Å; D206-K208 PolarHBondContact O-N 3.08Å; D206-K208 PolarHBondContact OD1-N 2.93Å; K208-T232 VanDerWaalsContact C-OG1 3.23Å; K208-T232 PolarHBondContact O-N 3.39Å; K208-T232 PolarHBondContact O-OG1 3.48Å; K208-S233 PolarHBondContact O-N 2.96Å; K208-S236 WeakPolarHBondContact CG-OG 3.31Å; K208-T599 WeakPolarHBondContact CB-O 3.25Å; K208-D600 HydrophobicContact CD-CB 4.27Å
209	S	95	Very high	90.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.3	174.3	57.7	0	0	0	0	114.1	S204 Q229 L230 T232 H578 T599	S204-S209 WeakPolarHBondContact CB-O 3.31Å; S204-S209 PolarHBondContact N-O 2.9Å; S204-S209 PolarHBondContact OG-N 3.29Å; S204-S209 PolarHBondContact OG-O 3.36Å; S204-S209 VanDerWaalsContact OG-O 3.09Å; S209-Q229 PolarHBondContact OG-NE2 3.29Å; S209-L230 CarbonylContact C-O 3.53Å; S209-L230 WeakPolarHBondContact CA-O 3.41Å; S209-L230 WeakPolarHBondContact CB-O 3.34Å; S209-T232 VanDerWaalsContact CA-OG1 3.28Å; S209-T232 WeakPolarHBondContact CA-OG1 3.33Å; S209-T232 PolarHBondContact N-OG1 3.38Å; S209-H578 PolarHBondContact O-NE2 3.49Å; S209-H578 PolarHBondContact OG-CD2 3.41Å; S209-H578 PolarHBondContact OG-NE2 3.02Å; S209-T599 WeakPolarHBondContact CB-O 3.39Å; S209-T599 WeakPolarHBondContact OG-CA 3.32Å; S209-T599 PolarHBondContact OG-O 2.98Å
210	L	96.1	Very high	89.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.8	169.8	172.2	62.2	0	0	0	108.8	V170 V178 L180 L191 L203 L212 L230 T232	V170-L210 HydrophobicContact CG1-CD1 4.18Å; V170-L210 HydrophobicContact CG1-CD2 4.2Å; V178-L210 HydrophobicContact CG1-CD2 3.91Å; L180-L210 HydrophobicContact CD1-CD2 4.42Å; L191-L210 HydrophobicContact CD1-CD2 3.84Å; L203-L210 HydrophobicContact CB-CD1 3.91Å; L203-L210 HydrophobicContact CD1-CB 4.14Å; L203-L210 HydrophobicContact CD1-CD1 4.49Å; L210-L212 HydrophobicContact CD2-CD1 4.3Å; L210-L212 HydrophobicContact CG-CD1 3.95Å; L210-L212 HydrophobicContact CG-CG 4.24Å; L210-L230 HydrophobicContact CB-CB 4.37Å; L210-L230 HydrophobicContact CD2-CD1 4.34Å; L210-L230 PolarHBondContact N-O 3.49Å; L210-L230 PolarHBondContact O-N 3.49Å; L210-T232 HydrophobicContact CB-CG2 4.08Å
211	S	95.4	Very high	89.1	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.4	172.3	62.3	0	0	0	0	111.1	L201 S202 V228 H578	L201-S211 WeakPolarHBondContact CA-O 3.24Å; S202-S211 WeakPolarHBondContact CB-OG 3.48Å; S202-S211 PolarHBondContact N-O 3.38Å; S202-S211 PolarHBondContact O-N 2.92Å; S202-S211 PolarHBondContact O-OG 2.99Å; S202-S211 VanDerWaalsContact O-OG 3.07Å; S211-V228 CarbonylContact C-O 3.44Å; S211-V228 WeakPolarHBondContact CA-O 3.22Å; S211-H578 PolarHBondContact OG-ND1 2.82Å
212	L	94.6	Very high	88.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.7	-178.7	-53.6	98.5	0	0	0	110.5	V178 V194 S200 L201 L210 T214 V228 L230	V178-L212 HydrophobicContact CG2-CD2 3.59Å; V194-L212 HydrophobicContact CG2-CD2 4.4Å; S200-L212 WeakPolarHBondContact O-CA 3.23Å; L201-L212 HydrophobicContact CD2-CB 4.21Å; L201-L212 HydrophobicContact CD2-CD2 3.16Å; L201-L212 HydrophobicContact CD2-CG 3.58Å; L210-L212 HydrophobicContact CD2-CD1 4.3Å; L210-L212 HydrophobicContact CG-CD1 3.95Å; L210-L212 HydrophobicContact CG-CG 4.24Å; L212-T214 HydrophobicContact CB-CG2 4.35Å; L212-V228 HydrophobicContact CB-CB 4.33Å; L212-V228 HydrophobicContact CD1-CB 4.37Å; L212-V228 HydrophobicContact CD1-CG1 4.5Å; L212-V228 PolarHBondContact N-O 3.3Å; L212-V228 PolarHBondContact O-N 2.77Å; L212-L230 HydrophobicContact CD1-CB 4.48Å; L212-L230 HydrophobicContact CD1-CD1 3.54Å; L212-L230 HydrophobicContact CD1-CD2 4.49Å; L212-L230 HydrophobicContact CD1-CG 3.51Å
213	I	93.6	Very high	88.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.2	161.8	-59.3	-65.8	0	0	0	107.1	R199 S200 I225 C226 Y227 L550 P567 L569 V580	R199-I213 HydrophobicContact CB-CG2 4.21Å; R199-I213 PolarHBondContact N-O 2.97Å; S200-I213 PolarHBondContact N-O 3.08Å; S200-I213 PolarHBondContact O-N 3.23Å; I213-I225 HydrophobicContact CG2-CG2 3.62Å; I213-C226 WeakPolarHBondContact CA-O 3.29Å; I213-Y227 HydrophobicContact CD1-CD2 3.9Å; I213-L550 HydrophobicContact CD1-CD1 4.36Å; I213-P567 HydrophobicContact CD1-CB 4.2Å; I213-P567 HydrophobicContact CD1-CG 4.46Å; I213-P567 HydrophobicContact CG1-CB 4.11Å; I213-P567 HydrophobicContact CG2-CB 4.34Å; I213-P567 HydrophobicContact CG2-CG 3.91Å; I213-L569 HydrophobicContact CD1-CD2 4.07Å; I213-L569 HydrophobicContact CG1-CD1 4Å; I213-L569 HydrophobicContact CG1-CD2 3.82Å; I213-L569 HydrophobicContact CG1-CG 3.8Å; I213-V580 HydrophobicContact CD1-CG1 3.86Å; I213-V580 HydrophobicContact CG1-CG1 4.47Å
214	T	92.2	Very high	87.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.1	-177.4	53.5	0	0	0	0	110.4	V194 S195 S197 L212 I225 C226 V228	V194-T214 HydrophobicContact CG1-CG2 3.73Å; S195-T214 WeakPolarHBondContact O-CB 3.21Å; S197-T214 CarbonylContact O-C 3.59Å; S197-T214 VanDerWaalsContact O-CA 3.29Å; S197-T214 WeakPolarHBondContact O-CA 3.36Å; L212-T214 HydrophobicContact CB-CG2 4.35Å; T214-I225 CarbonylContact O-C 3.6Å; T214-I225 WeakPolarHBondContact O-CA 3.46Å; T214-C226 PolarHBondContact N-O 2.85Å; T214-C226 PolarHBondContact O-N 3.47Å; T214-C226 PolarHBondContact OG1-O 3.28Å; T214-V228 HydrophobicContact CG2-CG2 4.38Å
215	E	90.6	Very high	87.7	Confident	37 Å²	37	35.2 Å²	35.2	17%	0.173	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.7	170.2	-176.6	-175.1	-174.3	0	0	108.7	G196 S197 R199 S223 E224 I225	G196-E215 CarbonylContact C-O 3.58Å; G196-E215 WeakPolarHBondContact CA-O 3.36Å; S197-E215 PolarHBondContact N-O 3.45Å; S197-E215 PolarHBondContact O-N 3.44Å; R199-E215 HydrophobicContact CG-CB 4.17Å; R199-E215 IonicContact CZ-OE2 3.97Å; R199-E215 IonicContact NE-OE2 3.32Å; R199-E215 PolarHBondContact NE-OE2 3.47Å; R199-E215 IonicContact NH2-OE1 2.78Å; R199-E215 IonicContact NH2-OE2 3.35Å; R199-E215 PolarHBondContact NH2-OE2 3.04Å; E215-S223 WeakPolarHBondContact OE1-CB 3.09Å; E215-S223 PolarHBondContact OE1-OG 2.92Å; E215-E224 WeakPolarHBondContact CA-O 3.43Å; E215-I225 HydrophobicContact CB-CD1 4Å; E215-I225 HydrophobicContact CG-CD1 4.15Å
216	V	89.1	Confident	87.7	Confident	32 Å²	32	35 Å²	35	19%	0.194	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.7	-178.3	-174.8	0	0	0	0	108.5	S195 S218 E224	S195-V216 WeakPolarHBondContact O-CG2 3.48Å; V216-S218 PolarHBondContact O-N 2.76Å; V216-E224 PolarHBondContact N-O 3.45Å; V216-E224 PolarHBondContact O-N 2.85Å
217	Q	84.3	Confident	87.8	Confident	144 Å²	144	34.9 Å²	34.9	67%	0.673	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.3	172.5	-165	170.6	24.6	0	0	109.5
218	S	76.1	Confident	87.8	Confident	37 Å²	37	34.9 Å²	34.9	26%	0.259	21%	0.207	S	C	.	.			trans	-72.8	160.5	175.8	-175.5	0	0	0	0	111.3	V216 D220 G221 V222	V216-S218 PolarHBondContact O-N 2.76Å; S218-D220 PolarHBondContact O-N 2.61Å; S218-D220 VanDerWaalsContact O-N 3.14Å; S218-G221 PolarHBondContact O-N 3.29Å; S218-V222 VanDerWaalsContact CB-O 3.3Å; S218-V222 WeakPolarHBondContact CB-O 3.25Å; S218-V222 PolarHBondContact N-O 3.49Å
219	A	71	Confident	87.9	Confident	106 Å²	106	32 Å²	32	88%	0.876	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.1	176.4	0	0	0	0	0	113	G221	A219-G221 PolarHBondContact O-N 3.15Å
220	D	70.4	Confident	87.9	Confident	146 Å²	146	32.4 Å²	32.4	78%	0.781	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	3.8	178.3	-60.4	-36.7	0	0	0	113.3	S218 V222	S218-D220 PolarHBondContact O-N 2.61Å; S218-D220 VanDerWaalsContact O-N 3.14Å; D220-V222 VanDerWaalsContact C-N 3.28Å; D220-V222 PolarHBondContact O-N 3Å
221	G	74.6	Confident	87.8	Confident	37 Å²	37	34.7 Å²	34.7	38%	0.381	21%	0.209	S	C	.	.	S	Bend	trans	84.2	-6.9	178.9	0	0	0	0	0	114.9	S218 A219	S218-G221 PolarHBondContact O-N 3.29Å; A219-G221 PolarHBondContact O-N 3.15Å
222	V	80.8	Confident	87.8	Confident	59 Å²	59	34.8 Å²	34.8	36%	0.358	21%	0.209	S	C	.	.			trans	-81.9	127.3	177.2	-178.2	0	0	0	0	110.2	S218 D220 A552	S218-V222 VanDerWaalsContact CB-O 3.3Å; S218-V222 WeakPolarHBondContact CB-O 3.25Å; S218-V222 PolarHBondContact N-O 3.49Å; D220-V222 VanDerWaalsContact C-N 3.28Å; D220-V222 PolarHBondContact O-N 3Å; V222-A552 HydrophobicContact CG1-CB 3.6Å
223	S	86.7	Confident	87.6	Confident	18 Å²	18	36.8 Å²	36.8	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.9	170.4	-80.8	0	0	0	0	110.9	E215 A552 V553	E215-S223 WeakPolarHBondContact OE1-CB 3.09Å; E215-S223 PolarHBondContact OE1-OG 2.92Å; S223-A552 CarbonylContact O-C 3.59Å; S223-A552 WeakPolarHBondContact O-CA 3.09Å; S223-V553 PolarHBondContact O-N 3.3Å
224	E	89.6	Confident	87.6	Confident	46 Å²	46	38.2 Å²	38.2	22%	0.215	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.1	178	-58.5	-168.1	147.8	0	0	111	E215 V216 R685	E215-E224 WeakPolarHBondContact CA-O 3.43Å; V216-E224 PolarHBondContact N-O 3.45Å; V216-E224 PolarHBondContact O-N 2.85Å; E224-R685 IonicContact OE1-CZ 2.68Å; E224-R685 IonicContact OE1-NH1 2.6Å; E224-R685 PolarHBondContact OE1-NH1 3.31Å
225	I	91.1	Very high	87.7	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.1	172	-60.3	-58.2	0	0	0	109.2	I213 T214 E215 L550 Y551 V553 P567	I213-I225 HydrophobicContact CG2-CG2 3.62Å; T214-I225 CarbonylContact O-C 3.6Å; T214-I225 WeakPolarHBondContact O-CA 3.46Å; E215-I225 HydrophobicContact CB-CD1 4Å; E215-I225 HydrophobicContact CG-CD1 4.15Å; I225-L550 HydrophobicContact CG2-CD1 4.19Å; I225-L550 WeakPolarHBondContact O-CA 3.48Å; I225-L550 VanDerWaalsContact O-CB 3.32Å; I225-L550 WeakPolarHBondContact O-CB 2.99Å; I225-L550 PolarHBondContact O-N 2.64Å; I225-Y551 HydrophobicContact CB-CE1 4.19Å; I225-Y551 HydrophobicContact CB-CE2 4.22Å; I225-Y551 HydrophobicContact CG1-CD2 4.37Å; I225-Y551 HydrophobicContact CG1-CE2 3.78Å; I225-Y551 HydrophobicContact CG2-CE1 4.23Å; I225-Y551 PolarHBondContact N-O 3.28Å; I225-Y551 PolarHBondContact O-N 2.81Å; I225-V553 HydrophobicContact CD1-CG2 3.78Å; I225-V553 HydrophobicContact CG1-CG2 3.5Å; I225-V553 VanDerWaalsContact CG1-CG2 3.5Å; I225-P567 HydrophobicContact CG2-CG 3.89Å
226	C	92.3	Very high	87.8	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.5	-179.1	-61.5	0	0	0	0	111.3	I213 T214 F547 L548	I213-C226 WeakPolarHBondContact CA-O 3.29Å; T214-C226 PolarHBondContact N-O 2.85Å; T214-C226 PolarHBondContact O-N 3.47Å; T214-C226 PolarHBondContact OG1-O 3.28Å; C226-F547 HydrophobicContact CB-CE2 3.88Å; C226-F547 HydrophobicContact CB-CZ 3.93Å; C226-L548 WeakPolarHBondContact CA-O 2.93Å
227	Y	93.8	Very high	87.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129	166.7	172.3	-94.1	0	0	0	110.2	I213 Q229 V546 F547 L548 L569 V580 L595 K597	I213-Y227 HydrophobicContact CD1-CD2 3.9Å; Y227-Q229 HydrophobicContact CE1-CB 4.02Å; Y227-V546 HydrophobicContact CE1-CG1 4.44Å; Y227-F547 CarbonylContact O-C 3.49Å; Y227-F547 WeakPolarHBondContact O-CA 3.26Å; Y227-L548 HydrophobicContact CD1-CB 4.41Å; Y227-L548 HydrophobicContact CD1-CD1 3.97Å; Y227-L548 HydrophobicContact CD1-CG 4.35Å; Y227-L548 PolarHBondContact N-O 2.87Å; Y227-L548 PolarHBondContact O-N 3.48Å; Y227-L569 HydrophobicContact CE2-CD2 4.35Å; Y227-V580 HydrophobicContact CD2-CG2 3.73Å; Y227-V580 HydrophobicContact CE2-CG2 3.63Å; Y227-L595 HydrophobicContact CD1-CD2 3.92Å; Y227-L595 HydrophobicContact CD2-CD2 3.97Å; Y227-L595 HydrophobicContact CE1-CD2 4.3Å; Y227-L595 HydrophobicContact CE2-CD2 4.33Å; Y227-L595 HydrophobicContact CG-CD2 3.73Å; Y227-K597 HydrophobicContact CE1-CG 4.12Å
228	V	93.8	Very high	88.3	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.1	178.4	-170.9	0	0	0	0	109.1	V194 S211 L212 T214 L230 Q544 V546 F547	V194-V228 HydrophobicContact CG1-CG1 4.39Å; V194-V228 HydrophobicContact CG1-CG2 4.3Å; S211-V228 CarbonylContact C-O 3.44Å; S211-V228 WeakPolarHBondContact CA-O 3.22Å; L212-V228 HydrophobicContact CB-CB 4.33Å; L212-V228 HydrophobicContact CD1-CB 4.37Å; L212-V228 HydrophobicContact CD1-CG1 4.5Å; L212-V228 PolarHBondContact N-O 3.3Å; L212-V228 PolarHBondContact O-N 2.77Å; T214-V228 HydrophobicContact CG2-CG2 4.38Å; V228-L230 HydrophobicContact CG1-CD2 3.82Å; V228-L230 HydrophobicContact CG1-CG 4.43Å; V228-Q544 HydrophobicContact CG1-CG 3.88Å; V228-V546 WeakPolarHBondContact CA-O 3.3Å; V228-F547 HydrophobicContact CG2-CD2 3.8Å; V228-F547 HydrophobicContact CG2-CE2 4.15Å
229	Q	94.8	Very high	89	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.5	170.5	-166.4	178.1	-3.7	0	0	109.1	S209 Y227 A545 V546 G598	S209-Q229 PolarHBondContact OG-NE2 3.29Å; Y227-Q229 HydrophobicContact CE1-CB 4.02Å; Q229-A545 PolarHBondContact O-N 3.4Å; Q229-V546 HydrophobicContact CB-CB 3.76Å; Q229-V546 HydrophobicContact CB-CG2 4.08Å; Q229-V546 PolarHBondContact N-O 2.88Å; Q229-V546 PolarHBondContact O-N 2.72Å; Q229-V546 VanDerWaalsContact O-N 3.1Å; Q229-G598 PolarHBondContact NE2-O 3.4Å
230	L	94.9	Very high	89.9	Confident	10 Å²	10	30 Å²	30	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.8	176.2	-54.6	-178	0	0	0	109.6	L191 V194 S209 L210 L212 V228 V542 K543 Q544	L191-L230 HydrophobicContact CD1-CD1 3.7Å; V194-L230 HydrophobicContact CG2-CD1 4.21Å; S209-L230 CarbonylContact C-O 3.53Å; S209-L230 WeakPolarHBondContact CA-O 3.41Å; S209-L230 WeakPolarHBondContact CB-O 3.34Å; L210-L230 HydrophobicContact CB-CB 4.37Å; L210-L230 HydrophobicContact CD2-CD1 4.34Å; L210-L230 PolarHBondContact N-O 3.49Å; L210-L230 PolarHBondContact O-N 3.49Å; L212-L230 HydrophobicContact CD1-CB 4.48Å; L212-L230 HydrophobicContact CD1-CD1 3.54Å; L212-L230 HydrophobicContact CD1-CD2 4.49Å; L212-L230 HydrophobicContact CD1-CG 3.51Å; V228-L230 HydrophobicContact CG1-CD2 3.82Å; V228-L230 HydrophobicContact CG1-CG 4.43Å; L230-V542 HydrophobicContact CB-CG1 3.69Å; L230-V542 HydrophobicContact CD1-CG1 4.14Å; L230-V542 HydrophobicContact CG-CG1 4.43Å; L230-K543 CarbonylContact C-O 3.59Å; L230-K543 WeakPolarHBondContact CA-O 3.19Å; L230-Q544 HydrophobicContact CD2-CB 3.92Å; L230-Q544 HydrophobicContact CD2-CG 4.27Å
231	D	94.6	Very high	90.8	Very high	47 Å²	47	24.2 Å²	24.2	25%	0.251	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116.5	173.7	178	10.9	0	0	0	109.8	S233 V542 K543 A545 P601	D231-S233 WeakPolarHBondContact OD1-CB 3.46Å; D231-S233 PolarHBondContact OD1-N 3.37Å; D231-S233 PolarHBondContact OD1-OG 2.92Å; D231-S233 PolarHBondContact OD2-OG 3.17Å; D231-V542 WeakPolarHBondContact O-CA 3.43Å; D231-V542 WeakPolarHBondContact O-CG1 3.32Å; D231-K543 PolarHBondContact N-O 3.17Å; D231-A545 HydrophobicContact CB-CB 4.25Å; D231-P601 HydrophobicContact CB-CG 4.44Å
232	T	94.6	Very high	91.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	13%	0.128	C	C	.	.			trans	-113.5	20.3	177.6	57.4	0	0	0	0	111.9	L207 K208 S209 L210 L234 L235 V542	L207-T232 CarbonylContact O-C 3.58Å; L207-T232 WeakPolarHBondContact O-CB 3.32Å; L207-T232 PolarHBondContact O-OG1 2.98Å; K208-T232 VanDerWaalsContact C-OG1 3.23Å; K208-T232 PolarHBondContact O-N 3.39Å; K208-T232 PolarHBondContact O-OG1 3.48Å; S209-T232 VanDerWaalsContact CA-OG1 3.28Å; S209-T232 WeakPolarHBondContact CA-OG1 3.33Å; S209-T232 PolarHBondContact N-OG1 3.38Å; L210-T232 HydrophobicContact CB-CG2 4.08Å; T232-L234 PolarHBondContact O-N 3.35Å; T232-L235 WeakPolarHBondContact O-CB 3.35Å; T232-L235 PolarHBondContact O-N 3.4Å; T232-V542 HydrophobicContact CG2-CG1 4.14Å; T232-V542 HydrophobicContact CG2-CG2 3.98Å
233	S	91.9	Very high	92.2	Very high	42 Å²	42	19.7 Å²	19.7	29%	0.294	11%	0.111	S	C	.	.	H	α-helix	trans	-47	-33.6	-176.7	48.5	0	0	0	0	115.1	K208 D231 L235 S236 D237	K208-S233 PolarHBondContact O-N 2.96Å; D231-S233 WeakPolarHBondContact OD1-CB 3.46Å; D231-S233 PolarHBondContact OD1-N 3.37Å; D231-S233 PolarHBondContact OD1-OG 2.92Å; D231-S233 PolarHBondContact OD2-OG 3.17Å; S233-L235 PolarHBondContact O-N 2.75Å; S233-S236 WeakPolarHBondContact O-CA 3.39Å; S233-S236 WeakPolarHBondContact O-CB 3.46Å; S233-S236 PolarHBondContact O-N 2.57Å; S233-D237 PolarHBondContact O-N 3.44Å
234	L	93.4	Very high	92.3	Very high	30 Å²	30	22.4 Å²	22.4	16%	0.157	12%	0.121	C	C	.	.	H	α-helix	trans	-55.2	-39.6	174.4	-178.3	65.7	0	0	0	112.7	T232 S236 C238 R372 L373 I538 S541	T232-L234 PolarHBondContact O-N 3.35Å; L234-S236 VanDerWaalsContact C-N 3.32Å; L234-C238 WeakPolarHBondContact O-CB 3.44Å; L234-C238 PolarHBondContact O-N 2.91Å; L234-R372 HydrophobicContact CD1-CB 4.39Å; L234-L373 HydrophobicContact CD2-CD2 4.46Å; L234-L373 HydrophobicContact CG-CD2 4.39Å; L234-I538 HydrophobicContact CD2-CG1 4.33Å; L234-S541 VanDerWaalsContact CD2-OG 3.24Å; L234-S541 WeakPolarHBondContact CD2-OG 3.17Å
235	L	93.6	Very high	92.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-34.8	177.5	-65.8	179.9	0	0	0	111.9	L180 I188 L207 T232 S233 L239 V242 I538	L180-L235 HydrophobicContact CD2-CD1 3.94Å; I188-L235 HydrophobicContact CD1-CD2 4.45Å; L207-L235 HydrophobicContact CB-CB 3.95Å; L207-L235 HydrophobicContact CD1-CB 4.01Å; T232-L235 WeakPolarHBondContact O-CB 3.35Å; T232-L235 PolarHBondContact O-N 3.4Å; S233-L235 PolarHBondContact O-N 2.75Å; L235-L239 VanDerWaalsContact O-CA 3.26Å; L235-L239 WeakPolarHBondContact O-CA 3.48Å; L235-L239 WeakPolarHBondContact O-CB 3.37Å; L235-L239 PolarHBondContact O-N 3.41Å; L235-V242 HydrophobicContact CD2-CG1 4.16Å; L235-V242 HydrophobicContact CD2-CG2 4.14Å; L235-I538 HydrophobicContact CD2-CD1 4.41Å; L235-I538 HydrophobicContact CD2-CG2 3.72Å; L235-I538 HydrophobicContact CG-CG2 4.27Å
236	S	92.3	Very high	92.5	Very high	13 Å²	13	20 Å²	20	9%	0.091	11%	0.109	C	C	.	.	H	α-helix	trans	-70.9	-50.3	176.3	-166.5	0	0	0	0	111	D206 K208 S233 L234 C238 L239	D206-S236 VanDerWaalsContact O-CB 3.26Å; D206-S236 WeakPolarHBondContact O-CB 3.12Å; D206-S236 PolarHBondContact O-OG 2.94Å; K208-S236 WeakPolarHBondContact CG-OG 3.31Å; S233-S236 WeakPolarHBondContact O-CA 3.39Å; S233-S236 WeakPolarHBondContact O-CB 3.46Å; S233-S236 PolarHBondContact O-N 2.57Å; L234-S236 VanDerWaalsContact C-N 3.32Å; S236-C238 VanDerWaalsContact C-N 3.32Å; S236-C238 PolarHBondContact O-N 2.66Å; S236-L239 WeakPolarHBondContact O-CB 3.37Å; S236-L239 PolarHBondContact O-N 2.77Å
237	D	91.8	Very high	92.3	Very high	127 Å²	127	22.2 Å²	22.2	68%	0.679	12%	0.117	S	C	*	.	H	α-helix	trans	-64.1	-35.7	-177.5	-71.3	-16	0	0	0	112.7	S233	S233-D237 PolarHBondContact O-N 3.44Å
238	C	92.1	Very high	92.1	Very high	12 Å²	12	22.8 Å²	22.8	8%	0.081	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	26	179.5	-63.7	0	0	0	0	112.6	L234 S236 E241 V242 L373	L234-C238 WeakPolarHBondContact O-CB 3.44Å; L234-C238 PolarHBondContact O-N 2.91Å; S236-C238 VanDerWaalsContact C-N 3.32Å; S236-C238 PolarHBondContact O-N 2.66Å; C238-E241 HydrophobicContact CB-CB 4.38Å; C238-E241 PolarHBondContact O-N 3.31Å; C238-E241 VanDerWaalsContact O-N 3.12Å; C238-V242 HydrophobicContact CB-CG2 4.22Å; C238-V242 WeakPolarHBondContact O-CB 3.08Å; C238-V242 WeakPolarHBondContact O-CG2 3.34Å; C238-V242 PolarHBondContact O-N 3.42Å; C238-L373 HydrophobicContact CB-CD1 4.41Å; C238-L373 HydrophobicContact CB-CD2 3.99Å; C238-L373 HydrophobicContact CB-CG 4.48Å
239	L	91.3	Very high	92	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-52.9	-47.1	-174.4	175.3	70.9	0	0	0	113.9	V111 E113 L118 L166 L207 L235 S236 E241 T243	V111-L239 HydrophobicContact CG1-CD1 3.97Å; V111-L239 HydrophobicContact CG1-CD2 3.77Å; V111-L239 HydrophobicContact CG2-CD1 4.05Å; E113-L239 HydrophobicContact CB-CD2 4.47Å; L118-L239 HydrophobicContact CD1-CB 4.38Å; L118-L239 HydrophobicContact CD1-CD2 3.46Å; L118-L239 VanDerWaalsContact CD1-CD2 3.46Å; L118-L239 HydrophobicContact CD1-CG 3.72Å; L166-L239 HydrophobicContact CD2-CD1 3.91Å; L207-L239 HydrophobicContact CD1-CD1 3.52Å; L207-L239 HydrophobicContact CG-CD1 4.49Å; L235-L239 VanDerWaalsContact O-CA 3.26Å; L235-L239 WeakPolarHBondContact O-CA 3.48Å; L235-L239 WeakPolarHBondContact O-CB 3.37Å; L235-L239 PolarHBondContact O-N 3.41Å; S236-L239 WeakPolarHBondContact O-CB 3.37Å; S236-L239 PolarHBondContact O-N 2.77Å; L239-E241 PolarHBondContact O-N 2.78Å; L239-T243 VanDerWaalsContact O-CB 3.29Å; L239-T243 WeakPolarHBondContact O-CB 3.38Å; L239-T243 PolarHBondContact O-N 3.14Å; L239-T243 PolarHBondContact O-OG1 3.48Å
240	P	88.9	Confident	91.7	Very high	31 Å²	31	23 Å²	23	20%	0.201	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-43.7	177	-19.5	29.9	0	0	0	112.8	L118 T243 K244	L118-P240 HydrophobicContact CD1-CB 4.37Å; L118-P240 HydrophobicContact CD1-CG 3.79Å; L118-P240 HydrophobicContact CG-CB 4.2Å; L118-P240 HydrophobicContact CG-CG 4.11Å; P240-T243 PolarHBondContact O-N 3.4Å; P240-K244 WeakPolarHBondContact O-CB 3.35Å; P240-K244 PolarHBondContact O-N 2.94Å
241	E	90.9	Very high	91.3	Very high	24 Å²	24	23.9 Å²	23.9	11%	0.112	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-46.7	179.8	-67.9	72.8	-164.4	0	0	111.2	C238 L239 K244 M245 K369 F370 L373	C238-E241 HydrophobicContact CB-CB 4.38Å; C238-E241 PolarHBondContact O-N 3.31Å; C238-E241 VanDerWaalsContact O-N 3.12Å; L239-E241 PolarHBondContact O-N 2.78Å; E241-K244 PolarHBondContact O-N 3.16Å; E241-M245 WeakPolarHBondContact O-CB 3.16Å; E241-M245 PolarHBondContact O-N 3.3Å; E241-K369 HydrophobicContact CG-CB 3.97Å; E241-K369 HydrophobicContact CG-CD 4.2Å; E241-K369 HydrophobicContact CG-CG 4.42Å; E241-K369 VanDerWaalsContact OE1-CD 3.32Å; E241-K369 WeakPolarHBondContact OE1-CD 3.48Å; E241-K369 WeakPolarHBondContact OE1-CE 3.46Å; E241-K369 IonicContact OE1-NZ 2.8Å; E241-K369 PolarHBondContact OE1-NZ 3.18Å; E241-F370 HydrophobicContact CB-CD1 4.25Å; E241-F370 HydrophobicContact CB-CE1 3.71Å; E241-F370 HydrophobicContact CB-CZ 4.01Å; E241-F370 HydrophobicContact CG-CE1 4.12Å; E241-F370 HydrophobicContact CG-CE2 4.31Å; E241-F370 HydrophobicContact CG-CZ 3.95Å; E241-L373 HydrophobicContact CB-CD1 3.71Å
242	V	92.8	Very high	91.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-44.7	176.4	171.4	0	0	0	0	110.6	L166 L235 C238 M245 A246 L373	L166-V242 HydrophobicContact CD2-CG1 4.18Å; L235-V242 HydrophobicContact CD2-CG1 4.16Å; L235-V242 HydrophobicContact CD2-CG2 4.14Å; C238-V242 HydrophobicContact CB-CG2 4.22Å; C238-V242 WeakPolarHBondContact O-CB 3.08Å; C238-V242 WeakPolarHBondContact O-CG2 3.34Å; C238-V242 PolarHBondContact O-N 3.42Å; V242-M245 PolarHBondContact O-N 3.02Å; V242-A246 WeakPolarHBondContact O-CB 3.41Å; V242-A246 PolarHBondContact O-N 2.95Å; V242-L373 HydrophobicContact CG2-CD1 3.88Å; V242-L373 HydrophobicContact CG2-CD2 3.63Å; V242-L373 HydrophobicContact CG2-CG 4.43Å
243	T	90.5	Very high	91	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-49	178.7	-58.2	0	0	0	0	111	L118 F121 Y122 L166 L239 P240 R247	L118-T243 HydrophobicContact CD2-CG2 4.26Å; F121-T243 HydrophobicContact CD1-CG2 4.42Å; F121-T243 HydrophobicContact CE1-CG2 3.99Å; Y122-T243 HydrophobicContact CE1-CG2 4.45Å; L166-T243 HydrophobicContact CB-CG2 4.03Å; L239-T243 VanDerWaalsContact O-CB 3.29Å; L239-T243 WeakPolarHBondContact O-CB 3.38Å; L239-T243 PolarHBondContact O-N 3.14Å; L239-T243 PolarHBondContact O-OG1 3.48Å; P240-T243 PolarHBondContact O-N 3.4Å; T243-R247 WeakPolarHBondContact O-CB 3.27Å; T243-R247 PolarHBondContact O-N 3.45Å
244	K	89.1	Confident	90.7	Very high	76 Å²	76	21.9 Å²	21.9	33%	0.33	11%	0.114	S	C	.	.	H	α-helix	trans	-64.7	-44.8	179.8	-169.6	174.2	-169.7	-177.7	0	111.9	F121 P240 E241 R247 K248 M363	F121-K244 HydrophobicContact CD2-CD 4.45Å; F121-K244 HydrophobicContact CE2-CB 4.11Å; F121-K244 HydrophobicContact CE2-CD 4.03Å; F121-K244 HydrophobicContact CE2-CG 3.72Å; F121-K244 HydrophobicContact CZ-CB 4.13Å; F121-K244 HydrophobicContact CZ-CG 4.07Å; P240-K244 WeakPolarHBondContact O-CB 3.35Å; P240-K244 PolarHBondContact O-N 2.94Å; E241-K244 PolarHBondContact O-N 3.16Å; K244-R247 PolarHBondContact O-N 3.11Å; K244-K248 WeakPolarHBondContact O-CG 3.28Å; K244-K248 PolarHBondContact O-N 2.97Å; K244-K248 VanDerWaalsContact O-N 3.15Å; K244-M363 HydrophobicContact CD-CE 3.91Å; K244-M363 HydrophobicContact CD-SD 4.07Å; K244-M363 VanDerWaalsContact CE-CE 3.49Å; K244-M363 HydrophobicContact CG-CE 3.88Å; K244-M363 HydrophobicContact CG-SD 3.99Å
245	M	92.3	Very high	90.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-60	-53.4	177	175.8	-170.2	71.8	0	0	111.2	E241 V242 R247 K248 F249 F370 L373 L375 P534 I538	E241-M245 WeakPolarHBondContact O-CB 3.16Å; E241-M245 PolarHBondContact O-N 3.3Å; V242-M245 PolarHBondContact O-N 3.02Å; M245-R247 VanDerWaalsContact C-N 3.29Å; M245-R247 PolarHBondContact O-N 3.27Å; M245-K248 PolarHBondContact O-N 2.74Å; M245-F249 HydrophobicContact CG-CD2 3.48Å; M245-F249 VanDerWaalsContact CG-CD2 3.48Å; M245-F249 HydrophobicContact CG-CE2 3.29Å; M245-F249 HydrophobicContact CG-CZ 4.2Å; M245-F249 PolarHBondContact O-N 2.95Å; M245-F249 HydrophobicContact SD-CD2 4.3Å; M245-F249 HydrophobicContact SD-CE2 3.77Å; M245-F370 HydrophobicContact CB-CE1 4.46Å; M245-L373 HydrophobicContact SD-CB 4.27Å; M245-L373 HydrophobicContact SD-CD1 4.34Å; M245-L375 HydrophobicContact CG-CD1 3.97Å; M245-L375 HydrophobicContact SD-CD1 3.27Å; M245-L375 WeakPolarHBondContact SD-CD1 3.5Å; M245-L375 HydrophobicContact SD-CG 4.46Å; M245-P534 HydrophobicContact CE-CB 4.33Å; M245-P534 HydrophobicContact SD-CB 4.14Å; M245-P534 HydrophobicContact SD-CG 4.34Å; M245-I538 HydrophobicContact CE-CD1 4.08Å
246	A	91.9	Very high	90.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-41.4	-178.5	0	0	0	0	0	111.4	L166 A182 Y183 Y186 I188 V242 F249 T250	L166-A246 HydrophobicContact CD1-CB 4.42Å; A182-A246 HydrophobicContact CB-CB 3.59Å; Y183-A246 HydrophobicContact CE2-CB 4.25Å; Y186-A246 HydrophobicContact CD1-CB 4.18Å; I188-A246 HydrophobicContact CG2-CB 4.07Å; V242-A246 WeakPolarHBondContact O-CB 3.41Å; V242-A246 PolarHBondContact O-N 2.95Å; A246-F249 PolarHBondContact O-N 3.12Å; A246-T250 PolarHBondContact O-N 3.28Å; A246-T250 PolarHBondContact O-OG1 3.3Å
247	R	88.2	Confident	90.1	Very high	47 Å²	47	23.3 Å²	23.3	18%	0.177	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-48.8	176.9	-168.3	171.8	-172.2	-168.3	4.8	111.9	Y183 T243 K244 M245 F249 T250 H251	Y183-R247 HydrophobicContact CE2-CB 4.24Å; T243-R247 WeakPolarHBondContact O-CB 3.27Å; T243-R247 PolarHBondContact O-N 3.45Å; K244-R247 PolarHBondContact O-N 3.11Å; M245-R247 VanDerWaalsContact C-N 3.29Å; M245-R247 PolarHBondContact O-N 3.27Å; R247-F249 VanDerWaalsContact C-N 3.33Å; R247-F249 PolarHBondContact O-N 3.17Å; R247-T250 PolarHBondContact O-N 3.27Å; R247-H251 PolarHBondContact O-CD2 3.4Å; R247-H251 PolarHBondContact O-N 3.16Å
248	K	89.9	Confident	89.9	Confident	13 Å²	13	17.3 Å²	17.3	6%	0.057	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-38.7	178.1	-66.9	-65.9	173.8	-173.4	0	112.1	D126 K244 M245 H251 I252 E359 V360 M363	D126-K248 IonicContact OD1-NZ 2.7Å; K244-K248 WeakPolarHBondContact O-CG 3.28Å; K244-K248 PolarHBondContact O-N 2.97Å; K244-K248 VanDerWaalsContact O-N 3.15Å; M245-K248 PolarHBondContact O-N 2.74Å; K248-H251 WeakPolarHBondContact O-CB 3.44Å; K248-H251 PolarHBondContact O-N 2.91Å; K248-I252 WeakPolarHBondContact O-CG1 3.24Å; K248-I252 PolarHBondContact O-N 3.01Å; K248-E359 WeakPolarHBondContact CE-OE2 3.23Å; K248-E359 IonicContact NZ-OE1 2.86Å; K248-E359 PolarHBondContact NZ-OE1 2.96Å; K248-E359 IonicContact NZ-OE2 3.02Å; K248-E359 PolarHBondContact NZ-OE2 3.36Å; K248-V360 HydrophobicContact CB-CG2 3.71Å; K248-V360 HydrophobicContact CG-CG2 4.35Å; K248-M363 HydrophobicContact CD-CE 4.45Å; K248-M363 HydrophobicContact CG-CE 3.73Å
249	F	92	Very high	89.9	Confident	6 Å²	6	16.8 Å²	16.8	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-68.8	-36.4	175.4	-72.6	-31.8	0	0	0	113.4	Y186 M245 A246 R247 H251 I252 S253 V360 L531 P534	Y186-F249 HydrophobicContact CD1-CB 3.88Å; Y186-F249 HydrophobicContact CD1-CD2 4.24Å; Y186-F249 HydrophobicContact CD2-CB 3.7Å; Y186-F249 HydrophobicContact CD2-CG 4.46Å; Y186-F249 HydrophobicContact CE1-CB 3.94Å; Y186-F249 AromaticContact CE1-CD2 3.46Å; Y186-F249 HydrophobicContact CE1-CD2 3.46Å; Y186-F249 VanDerWaalsContact CE1-CD2 3.46Å; Y186-F249 HydrophobicContact CE1-CE2 4.36Å; Y186-F249 HydrophobicContact CE1-CG 4.17Å; Y186-F249 HydrophobicContact CE2-CB 3.77Å; Y186-F249 AromaticContact CE2-CD2 3.85Å; Y186-F249 HydrophobicContact CE2-CD2 3.85Å; Y186-F249 HydrophobicContact CE2-CG 4.04Å; Y186-F249 HydrophobicContact CG-CB 3.75Å; Y186-F249 AromaticContact CZ-CD2 3.23Å; Y186-F249 AromaticContact CZ-CE2 3.92Å; Y186-F249 AromaticContact CZ-CG 3.87Å; Y186-F249 WeakPolarHBondContact OH-CD2 3.43Å; Y186-F249 WeakPolarHBondContact OH-CE2 3.37Å; M245-F249 HydrophobicContact CG-CD2 3.48Å; M245-F249 VanDerWaalsContact CG-CD2 3.48Å; M245-F249 HydrophobicContact CG-CE2 3.29Å; M245-F249 HydrophobicContact CG-CZ 4.2Å; M245-F249 PolarHBondContact O-N 2.95Å; M245-F249 HydrophobicContact SD-CD2 4.3Å; M245-F249 HydrophobicContact SD-CE2 3.77Å; A246-F249 PolarHBondContact O-N 3.12Å; R247-F249 VanDerWaalsContact C-N 3.33Å; R247-F249 PolarHBondContact O-N 3.17Å; F249-H251 VanDerWaalsContact C-N 3.35Å; F249-I252 HydrophobicContact CD1-CD1 3.89Å; F249-I252 HydrophobicContact CE1-CD1 4.4Å; F249-I252 PolarHBondContact O-N 3.23Å; F249-S253 PolarHBondContact O-N 3.03Å; F249-S253 PolarHBondContact O-OG 3.48Å; F249-V360 HydrophobicContact CE1-CG1 3.83Å; F249-V360 HydrophobicContact CE1-CG2 4.4Å; F249-V360 HydrophobicContact CZ-CG1 4.15Å; F249-L531 HydrophobicContact CB-CD2 3.56Å; F249-L531 HydrophobicContact CD1-CD2 3.27Å; F249-L531 HydrophobicContact CD2-CD2 4.14Å; F249-L531 HydrophobicContact CE1-CD2 3.9Å; F249-L531 HydrophobicContact CG-CD2 3.41Å; F249-L531 VanDerWaalsContact CG-CD2 3.41Å; F249-P534 HydrophobicContact CE2-CG 3.96Å; F249-P534 HydrophobicContact CZ-CG 4.44Å
250	T	88.8	Confident	89.8	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-45.1	170.2	-56.3	0	0	0	0	110.9	L161 M185 A246 R247 I252 S253 T254	L161-T250 HydrophobicContact CD2-CG2 3.49Å; L161-T250 VanDerWaalsContact CD2-CG2 3.49Å; M185-T250 HydrophobicContact CB-CG2 3.7Å; M185-T250 HydrophobicContact CG-CG2 3.95Å; A246-T250 PolarHBondContact O-N 3.28Å; A246-T250 PolarHBondContact O-OG1 3.3Å; R247-T250 PolarHBondContact O-N 3.27Å; T250-I252 VanDerWaalsContact C-N 3.34Å; T250-I252 PolarHBondContact O-N 3.37Å; T250-S253 PolarHBondContact O-N 3.32Å; T250-T254 PolarHBondContact O-N 3.43Å; T250-T254 PolarHBondContact O-OG1 3.3Å
251	H	87.3	Confident	89.7	Confident	28 Å²	28	20 Å²	20	13%	0.13	10%	0.096	C	C	.	.	H	α-helix	trans	-58.2	-44.8	174.4	-74.8	-70.8	0	0	0	112.4	L161 R247 K248 F249 T254 L255 Q356	L161-H251 VanDerWaalsContact CD1-CE1 3.46Å; L161-H251 WeakPolarHBondContact CD1-CE1 3.29Å; R247-H251 PolarHBondContact O-CD2 3.4Å; R247-H251 PolarHBondContact O-N 3.16Å; K248-H251 WeakPolarHBondContact O-CB 3.44Å; K248-H251 PolarHBondContact O-N 2.91Å; F249-H251 VanDerWaalsContact C-N 3.35Å; H251-T254 PolarHBondContact O-N 2.84Å; H251-L255 WeakPolarHBondContact O-CB 3.3Å; H251-L255 VanDerWaalsContact O-CG 3.22Å; H251-L255 WeakPolarHBondContact O-CG 3.47Å; H251-L255 PolarHBondContact O-N 2.99Å; H251-Q356 HydrophobicContact CB-CG 4.37Å
252	I	91.9	Very high	89.6	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-47.7	176.9	-73.6	161.7	0	0	0	110.9	K248 F249 T250 T254 L255 L256 L353 Q356 L357 V360 I527 L531	K248-I252 WeakPolarHBondContact O-CG1 3.24Å; K248-I252 PolarHBondContact O-N 3.01Å; F249-I252 HydrophobicContact CD1-CD1 3.89Å; F249-I252 HydrophobicContact CE1-CD1 4.4Å; F249-I252 PolarHBondContact O-N 3.23Å; T250-I252 VanDerWaalsContact C-N 3.34Å; T250-I252 PolarHBondContact O-N 3.37Å; I252-T254 PolarHBondContact O-N 2.78Å; I252-L255 PolarHBondContact O-N 3.31Å; I252-L256 HydrophobicContact CG2-CD1 4.46Å; I252-L256 WeakPolarHBondContact O-CG 3.28Å; I252-L256 PolarHBondContact O-N 2.83Å; I252-L353 HydrophobicContact CB-CD1 4.21Å; I252-L353 HydrophobicContact CG1-CD1 4.06Å; I252-L353 HydrophobicContact CG2-CD1 3.79Å; I252-Q356 HydrophobicContact CD1-CB 4.35Å; I252-Q356 HydrophobicContact CG1-CB 3.89Å; I252-L357 HydrophobicContact CD1-CD2 3.79Å; I252-L357 HydrophobicContact CD1-CG 4.27Å; I252-V360 HydrophobicContact CD1-CG2 3.99Å; I252-I527 HydrophobicContact CG2-CG2 3.7Å; I252-L531 HydrophobicContact CG2-CD1 4.45Å
253	S	89.5	Confident	89.6	Confident	38 Å²	38	19 Å²	19	27%	0.266	9%	0.091	S	C	.	.	H	α-helix	trans	-62.4	-41.7	177.8	-63.8	0	0	0	0	112.4	F249 T250 L255 L256 Q257	F249-S253 PolarHBondContact O-N 3.03Å; F249-S253 PolarHBondContact O-OG 3.48Å; T250-S253 PolarHBondContact O-N 3.32Å; S253-L255 VanDerWaalsContact C-N 3.34Å; S253-L255 PolarHBondContact O-N 3.27Å; S253-L256 PolarHBondContact O-N 2.87Å; S253-Q257 PolarHBondContact O-N 3.35Å
254	T	86.3	Confident	89.5	Confident	11 Å²	11	20.8 Å²	20.8	7%	0.067	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-42.1	174.8	-58.6	0	0	0	0	111.5	F149 I157 T250 H251 I252 Q257 Y258	F149-T254 HydrophobicContact CE1-CG2 3.93Å; F149-T254 HydrophobicContact CZ-CG2 3.63Å; F149-T254 WeakPolarHBondContact CZ-O 3.41Å; I157-T254 HydrophobicContact CG2-CG2 4.1Å; T250-T254 PolarHBondContact O-N 3.43Å; T250-T254 PolarHBondContact O-OG1 3.3Å; H251-T254 PolarHBondContact O-N 2.84Å; I252-T254 PolarHBondContact O-N 2.78Å; T254-Q257 PolarHBondContact O-N 3.42Å; T254-Y258 PolarHBondContact O-N 3.21Å
255	L	89.3	Confident	89.4	Confident	15 Å²	15	17.8 Å²	17.8	8%	0.079	9%	0.091	C	C	.	.	H	α-helix	trans	-66.7	-39	177.2	-71.5	167.9	0	0	0	112.3	L135 H251 I252 S253 Q257 Y258 L259 A352 L353 Q356	L135-L255 HydrophobicContact CD1-CD2 3.52Å; H251-L255 WeakPolarHBondContact O-CB 3.3Å; H251-L255 VanDerWaalsContact O-CG 3.22Å; H251-L255 WeakPolarHBondContact O-CG 3.47Å; H251-L255 PolarHBondContact O-N 2.99Å; I252-L255 PolarHBondContact O-N 3.31Å; S253-L255 VanDerWaalsContact C-N 3.34Å; S253-L255 PolarHBondContact O-N 3.27Å; L255-Q257 VanDerWaalsContact C-N 3.35Å; L255-Y258 WeakPolarHBondContact O-CB 3.17Å; L255-Y258 PolarHBondContact O-N 3.48Å; L255-L259 WeakPolarHBondContact O-CG 3.34Å; L255-L259 PolarHBondContact O-N 2.92Å; L255-A352 HydrophobicContact CD1-CB 4.09Å; L255-A352 HydrophobicContact CD2-CB 3.88Å; L255-L353 HydrophobicContact CB-CB 4.46Å; L255-L353 HydrophobicContact CB-CD1 4.39Å; L255-L353 HydrophobicContact CD1-CB 4.26Å; L255-Q356 HydrophobicContact CD1-CG 4Å
256	L	90.9	Very high	89.3	Confident	17 Å²	17	17.8 Å²	17.8	9%	0.089	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-44.6	173.1	-73.5	178.9	0	0	0	111.5	I252 S253 Y258 L259 H260 L353 M523 E524 I527	I252-L256 HydrophobicContact CG2-CD1 4.46Å; I252-L256 WeakPolarHBondContact O-CG 3.28Å; I252-L256 PolarHBondContact O-N 2.83Å; S253-L256 PolarHBondContact O-N 2.87Å; L256-Y258 VanDerWaalsContact C-N 3.33Å; L256-Y258 PolarHBondContact O-N 3.25Å; L256-L259 PolarHBondContact O-N 2.9Å; L256-H260 WeakPolarHBondContact O-CB 3.26Å; L256-H260 PolarHBondContact O-N 3.14Å; L256-L353 HydrophobicContact CD2-CD2 3.94Å; L256-M523 HydrophobicContact CD2-CE 3.9Å; L256-E524 HydrophobicContact CD2-CG 4.32Å; L256-I527 HydrophobicContact CD1-CB 4.3Å; L256-I527 HydrophobicContact CD1-CG2 3.77Å; L256-I527 HydrophobicContact CD2-CD1 3.87Å
257	Q	86.3	Confident	89.1	Confident	41 Å²	41	18.6 Å²	18.6	19%	0.192	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-41.5	175.3	-169.6	174.8	5.5	0	0	111.6	H95 S146 F149 S253 T254 L255 H260 L261	H95-Q257 PolarHBondContact ND1-OE1 3.47Å; S146-Q257 PolarHBondContact OG-NE2 2.7Å; F149-Q257 HydrophobicContact CE2-CB 4.41Å; F149-Q257 HydrophobicContact CE2-CG 4.22Å; S253-Q257 PolarHBondContact O-N 3.35Å; T254-Q257 PolarHBondContact O-N 3.42Å; L255-Q257 VanDerWaalsContact C-N 3.35Å; Q257-H260 WeakPolarHBondContact O-CB 3.32Å; Q257-H260 PolarHBondContact O-N 2.84Å; Q257-L261 HydrophobicContact CG-CD1 4.08Å; Q257-L261 VanDerWaalsContact O-CG 3.29Å; Q257-L261 WeakPolarHBondContact O-CG 3.39Å; Q257-L261 PolarHBondContact O-N 2.96Å
258	Y	87.6	Confident	89	Confident	1 Å²	1	19 Å²	19	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-46.2	175.1	-180	-101.6	0	0	0	112.6	L135 P136 L138 F149 T254 L255 L256 H260 L261 S262 H345	L135-Y258 HydrophobicContact CB-CE2 4.48Å; L135-Y258 HydrophobicContact CD1-CD1 4.37Å; L135-Y258 HydrophobicContact CD1-CE1 4.47Å; L135-Y258 HydrophobicContact CD2-CE1 4.09Å; P136-Y258 WeakPolarHBondContact O-CE2 3.36Å; P136-Y258 PolarHBondContact O-OH 2.8Å; L138-Y258 HydrophobicContact CD1-CD2 4.01Å; L138-Y258 HydrophobicContact CD1-CE2 4.08Å; L138-Y258 HydrophobicContact CD2-CE2 3.97Å; L138-Y258 HydrophobicContact CG-CD2 4.21Å; L138-Y258 HydrophobicContact CG-CE2 3.76Å; F149-Y258 HydrophobicContact CB-CD2 4.21Å; F149-Y258 AromaticContact CD1-CD2 3.46Å; F149-Y258 HydrophobicContact CD1-CD2 3.46Å; F149-Y258 VanDerWaalsContact CD1-CD2 3.46Å; F149-Y258 HydrophobicContact CD1-CE2 4.18Å; F149-Y258 HydrophobicContact CD1-CG 4.34Å; F149-Y258 HydrophobicContact CD2-CD2 4.39Å; F149-Y258 AromaticContact CE1-CD2 3.83Å; F149-Y258 HydrophobicContact CE1-CD2 3.83Å; F149-Y258 HydrophobicContact CE1-CG 4.28Å; F149-Y258 AromaticContact CG-CD2 3.77Å; F149-Y258 HydrophobicContact CG-CD2 3.77Å; F149-Y258 HydrophobicContact CG-CE2 4.49Å; F149-Y258 HydrophobicContact CZ-CD2 4.42Å; T254-Y258 PolarHBondContact O-N 3.21Å; L255-Y258 WeakPolarHBondContact O-CB 3.17Å; L255-Y258 PolarHBondContact O-N 3.48Å; L256-Y258 VanDerWaalsContact C-N 3.33Å; L256-Y258 PolarHBondContact O-N 3.25Å; Y258-H260 VanDerWaalsContact C-N 3.32Å; Y258-H260 PolarHBondContact O-N 3.41Å; Y258-L261 PolarHBondContact O-N 3.35Å; Y258-S262 WeakPolarHBondContact O-CB 3.43Å; Y258-S262 PolarHBondContact O-N 3.11Å; Y258-S262 PolarHBondContact O-OG 3.01Å; Y258-H345 HydrophobicContact CE1-CB 3.99Å; Y258-H345 WeakPolarHBondContact OH-CB 3.4Å; Y258-H345 PolarHBondContact OH-ND1 2.83Å
259	L	91.3	Very high	88.8	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-38.8	176.3	-70.2	174.5	0	0	0	111.5	L255 L256 L263 L346 L353 F390 M523	L255-L259 WeakPolarHBondContact O-CG 3.34Å; L255-L259 PolarHBondContact O-N 2.92Å; L256-L259 PolarHBondContact O-N 2.9Å; L259-L263 PolarHBondContact O-N 3.25Å; L259-L346 HydrophobicContact CD2-CD1 3.87Å; L259-L346 HydrophobicContact CD2-CG 4.37Å; L259-L346 WeakPolarHBondContact CD2-O 3.36Å; L259-L353 HydrophobicContact CD1-CD2 3.89Å; L259-F390 HydrophobicContact CD1-CE1 4.44Å; L259-F390 HydrophobicContact CD2-CE1 4.42Å; L259-M523 HydrophobicContact CD1-CE 4.26Å
260	H	89.9	Confident	88.4	Confident	85 Å²	85	19.6 Å²	19.6	39%	0.394	11%	0.106	S	C	.	.	H	α-helix	trans	-60.7	-52.8	175.6	-178	103	0	0	0	111.2	L256 Q257 Y258 S262 L263 T264 K520 E524	L256-H260 WeakPolarHBondContact O-CB 3.26Å; L256-H260 PolarHBondContact O-N 3.14Å; Q257-H260 WeakPolarHBondContact O-CB 3.32Å; Q257-H260 PolarHBondContact O-N 2.84Å; Y258-H260 VanDerWaalsContact C-N 3.32Å; Y258-H260 PolarHBondContact O-N 3.41Å; H260-S262 VanDerWaalsContact C-N 3.35Å; H260-S262 PolarHBondContact O-N 3.15Å; H260-L263 PolarHBondContact O-N 3.47Å; H260-T264 PolarHBondContact O-N 2.85Å; H260-T264 PolarHBondContact O-OG1 3.04Å; H260-T264 VanDerWaalsContact O-OG1 3.11Å; H260-K520 PolarHBondContact ND1-NZ 3.01Å; H260-E524 IonicContact ND1-OE1 3.94Å
261	L	86.9	Confident	88.1	Confident	15 Å²	15	24.9 Å²	24.9	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-39.6	179.5	-67.8	167.4	0	0	0	112.1	L138 T144 F149 Q257 Y258 L263 T264 C265	L138-L261 HydrophobicContact CD1-CB 3.5Å; L138-L261 HydrophobicContact CD1-CD1 4.42Å; T144-L261 HydrophobicContact CG2-CD2 3.46Å; T144-L261 VanDerWaalsContact CG2-CD2 3.46Å; F149-L261 HydrophobicContact CD2-CD1 3.46Å; F149-L261 VanDerWaalsContact CD2-CD1 3.46Å; F149-L261 HydrophobicContact CE2-CD1 3.85Å; Q257-L261 HydrophobicContact CG-CD1 4.08Å; Q257-L261 VanDerWaalsContact O-CG 3.29Å; Q257-L261 WeakPolarHBondContact O-CG 3.39Å; Q257-L261 PolarHBondContact O-N 2.96Å; Y258-L261 PolarHBondContact O-N 3.35Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 PolarHBondContact O-N 3.34Å; L261-T264 WeakPolarHBondContact O-CB 3.41Å; L261-T264 PolarHBondContact O-N 2.9Å; L261-C265 PolarHBondContact O-N 3.44Å; L261-C265 PolarHBondContact O-SG 3.47Å; L261-C265 VanDerWaalsContact O-SG 3.41Å
262	S	89.8	Confident	87.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.6	-44.6	174.6	-59.9	0	0	0	0	111.5	L138 Y258 H260 C265 M266	L138-S262 WeakPolarHBondContact CD2-OG 3.38Å; Y258-S262 WeakPolarHBondContact O-CB 3.43Å; Y258-S262 PolarHBondContact O-N 3.11Å; Y258-S262 PolarHBondContact O-OG 3.01Å; H260-S262 VanDerWaalsContact C-N 3.35Å; H260-S262 PolarHBondContact O-N 3.15Å; S262-C265 PolarHBondContact O-N 2.93Å; S262-M266 WeakPolarHBondContact O-CG 3.17Å; S262-M266 PolarHBondContact O-N 2.68Å; S262-M266 VanDerWaalsContact O-N 3.09Å
263	L	91.3	Very high	86.7	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-67.6	-37.5	177.5	-174.9	60.7	0	0	0	111.8	L259 H260 L261 M266 C267 L473 L516 H517 K520	L259-L263 PolarHBondContact O-N 3.25Å; H260-L263 PolarHBondContact O-N 3.47Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 PolarHBondContact O-N 3.34Å; L263-M266 HydrophobicContact CD1-CE 4.35Å; L263-M266 HydrophobicContact CD1-SD 4.39Å; L263-M266 WeakPolarHBondContact O-CB 3.26Å; L263-M266 PolarHBondContact O-N 3.41Å; L263-C267 PolarHBondContact O-N 2.88Å; L263-C267 PolarHBondContact O-SG 3.38Å; L263-L473 HydrophobicContact CD1-CD2 3.85Å; L263-L516 HydrophobicContact CD1-CD2 3.76Å; L263-H517 WeakPolarHBondContact CD2-NE2 3.25Å; L263-K520 HydrophobicContact CD2-CD 3.37Å
264	T	89	Confident	85.7	Confident	39 Å²	39	28.9 Å²	28.9	24%	0.239	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-47.6	174.3	-55.2	0	0	0	0	111.2	H260 L261 M266 C267 E268	H260-T264 PolarHBondContact O-N 2.85Å; H260-T264 PolarHBondContact O-OG1 3.04Å; H260-T264 VanDerWaalsContact O-OG1 3.11Å; L261-T264 WeakPolarHBondContact O-CB 3.41Å; L261-T264 PolarHBondContact O-N 2.9Å; T264-M266 VanDerWaalsContact C-N 3.26Å; T264-M266 PolarHBondContact O-N 2.95Å; T264-C267 WeakPolarHBondContact O-CB 3.38Å; T264-C267 PolarHBondContact O-N 3.41Å; T264-E268 WeakPolarHBondContact O-CG 3.45Å; T264-E268 PolarHBondContact O-N 3.03Å
265	C	87.8	Confident	85	Confident	13 Å²	13	34.2 Å²	34.2	9%	0.088	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-35.4	175	-66	0	0	0	0	112.6	L261 S262 A269 L341	L261-C265 PolarHBondContact O-N 3.44Å; L261-C265 PolarHBondContact O-SG 3.47Å; L261-C265 VanDerWaalsContact O-SG 3.41Å; S262-C265 PolarHBondContact O-N 2.93Å; C265-A269 WeakPolarHBondContact O-CB 3.44Å; C265-A269 PolarHBondContact O-N 3.39Å; C265-A269 VanDerWaalsContact O-N 3.1Å; C265-L341 HydrophobicContact CB-CD1 4.16Å; C265-L341 HydrophobicContact CB-CD2 4.49Å
266	M	89.9	Confident	84	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-39.7	174.1	-70.6	170.6	54.7	0	0	112.1	S262 L263 T264 W270 I338 L341 V342 L346 L397 L473	S262-M266 WeakPolarHBondContact O-CG 3.17Å; S262-M266 PolarHBondContact O-N 2.68Å; S262-M266 VanDerWaalsContact O-N 3.09Å; L263-M266 HydrophobicContact CD1-CE 4.35Å; L263-M266 HydrophobicContact CD1-SD 4.39Å; L263-M266 WeakPolarHBondContact O-CB 3.26Å; L263-M266 PolarHBondContact O-N 3.41Å; T264-M266 VanDerWaalsContact C-N 3.26Å; T264-M266 PolarHBondContact O-N 2.95Å; M266-W270 WeakPolarHBondContact O-CB 3.35Å; M266-W270 PolarHBondContact O-N 2.97Å; M266-I338 HydrophobicContact CE-CG2 4.04Å; M266-L341 HydrophobicContact CB-CD1 4.3Å; M266-L341 HydrophobicContact CG-CB 3.54Å; M266-L341 HydrophobicContact CG-CD1 3.57Å; M266-L341 HydrophobicContact CG-CG 4.18Å; M266-L341 HydrophobicContact SD-CB 4.13Å; M266-V342 HydrophobicContact CE-CG2 3.33Å; M266-V342 HydrophobicContact SD-CG2 3.89Å; M266-L346 HydrophobicContact SD-CD2 4.38Å; M266-L397 HydrophobicContact CE-CD2 3.7Å; M266-L473 HydrophobicContact CB-CD2 4.5Å; M266-L473 HydrophobicContact CE-CD2 3.92Å
267	C	88.4	Confident	82.8	Confident	18 Å²	18	36.5 Å²	36.5	12%	0.122	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-44	177	-63.2	0	0	0	0	111	L263 T264 A269 W270 E271 H517	L263-C267 PolarHBondContact O-N 2.88Å; L263-C267 PolarHBondContact O-SG 3.38Å; T264-C267 WeakPolarHBondContact O-CB 3.38Å; T264-C267 PolarHBondContact O-N 3.41Å; C267-A269 PolarHBondContact O-N 3.46Å; C267-W270 CarbonylContact O-C 3.58Å; C267-W270 WeakPolarHBondContact O-CB 3.4Å; C267-W270 PolarHBondContact O-N 3.36Å; C267-W270 VanDerWaalsContact O-N 3.11Å; C267-E271 WeakPolarHBondContact O-CG 3.45Å; C267-E271 PolarHBondContact O-N 2.96Å; C267-H517 VanDerWaalsContact SG-CE1 3.56Å
268	E	85.4	Confident	81.6	Confident	55 Å²	55	36.9 Å²	36.9	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-59.3	-46.8	176.1	-69.2	176.9	162.1	0	0	111.8	S141 N143 T264 W270 E271 E272	S141-E268 VanDerWaalsContact CB-OE2 3.31Å; S141-E268 WeakPolarHBondContact CB-OE2 3.45Å; S141-E268 VanDerWaalsContact OG-CD 3.26Å; S141-E268 PolarHBondContact OG-OE1 3.44Å; S141-E268 PolarHBondContact OG-OE2 3.44Å; N143-E268 PolarHBondContact ND2-OE1 3.14Å; T264-E268 WeakPolarHBondContact O-CG 3.45Å; T264-E268 PolarHBondContact O-N 3.03Å; E268-W270 PolarHBondContact O-N 2.85Å; E268-E271 PolarHBondContact O-N 3.1Å; E268-E272 PolarHBondContact O-N 3.23Å
269	A	84.7	Confident	80.3	Confident	17 Å²	17	41.2 Å²	41.2	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-30	176.5	0	0	0	0	0	112.8	C265 C267 I338	C265-A269 WeakPolarHBondContact O-CB 3.44Å; C265-A269 PolarHBondContact O-N 3.39Å; C265-A269 VanDerWaalsContact O-N 3.1Å; C267-A269 PolarHBondContact O-N 3.46Å; A269-I338 HydrophobicContact CB-CD1 4.44Å; A269-I338 HydrophobicContact CB-CG1 3.91Å
270	W	84.9	Confident	79.1	Confident	15 Å²	15	47.4 Å²	47.4	6%	0.057	23%	0.231	C	C	.	.	H	α-helix	trans	-78	-39.4	176	167.3	75.5	0	0	0	112.7	M266 C267 E268 E272 I273 L274 I338 E467 G470 L473 K474	M266-W270 WeakPolarHBondContact O-CB 3.35Å; M266-W270 PolarHBondContact O-N 2.97Å; C267-W270 CarbonylContact O-C 3.58Å; C267-W270 WeakPolarHBondContact O-CB 3.4Å; C267-W270 PolarHBondContact O-N 3.36Å; C267-W270 VanDerWaalsContact O-N 3.11Å; E268-W270 PolarHBondContact O-N 2.85Å; W270-E272 PolarHBondContact O-N 3.14Å; W270-I273 WeakPolarHBondContact O-CA 3.35Å; W270-I273 WeakPolarHBondContact O-CB 3.4Å; W270-I273 PolarHBondContact O-N 2.93Å; W270-L274 HydrophobicContact CH2-CD1 3.55Å; W270-L274 HydrophobicContact CZ2-CD1 3.28Å; W270-L274 HydrophobicContact CZ3-CD1 4.5Å; W270-L274 PolarHBondContact O-N 3.47Å; W270-I338 HydrophobicContact CB-CD1 3.99Å; W270-E467 WeakPolarHBondContact CZ2-OE1 3.42Å; W270-E467 VanDerWaalsContact NE1-CD 3.27Å; W270-E467 PolarHBondContact NE1-OE1 2.82Å; W270-G470 VanDerWaalsContact CZ2-CA 3.4Å; W270-L473 HydrophobicContact CB-CD1 3.48Å; W270-L473 VanDerWaalsContact CB-CD1 3.48Å; W270-L473 HydrophobicContact CD2-CB 4.35Å; W270-L473 HydrophobicContact CD2-CD1 4.25Å; W270-L473 HydrophobicContact CE3-CB 4.33Å; W270-L473 HydrophobicContact CG-CD1 3.66Å; W270-K474 HydrophobicContact CH2-CD 4.12Å; W270-K474 VanDerWaalsContact CH2-CE 3.47Å; W270-K474 HydrophobicContact CH2-CG 3.37Å; W270-K474 HydrophobicContact CZ2-CG 4.09Å; W270-K474 HydrophobicContact CZ3-CG 3.94Å
271	E	81.8	Confident	77.8	Confident	111 Å²	111	45 Å²	45	52%	0.519	22%	0.221	S	C	.	.	H	α-helix	trans	-60	-35	175.2	-76.1	-179.3	179.4	0	0	111.6	C267 E268 I273 L274 M275	C267-E271 WeakPolarHBondContact O-CG 3.45Å; C267-E271 PolarHBondContact O-N 2.96Å; E268-E271 PolarHBondContact O-N 3.1Å; E271-I273 PolarHBondContact O-N 3.26Å; E271-L274 PolarHBondContact O-N 3.31Å; E271-M275 WeakPolarHBondContact O-CG 3.35Å; E271-M275 PolarHBondContact O-N 2.87Å
272	E	74.8	Confident	76.4	Confident	102 Å²	102	46.3 Å²	46.3	48%	0.477	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-43.6	171.6	-171.2	179.6	-169.8	0	0	112.1	E268 W270 Q276	E268-E272 PolarHBondContact O-N 3.23Å; W270-E272 PolarHBondContact O-N 3.14Å; E272-Q276 WeakPolarHBondContact O-CG 3.21Å; E272-Q276 PolarHBondContact O-N 3.48Å
273	I	74.1	Confident	75.2	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-48	174.5	-60.6	171.5	0	0	0	110	W270 E271 Q276 M277 I331 S334 Y335 I338	W270-I273 WeakPolarHBondContact O-CA 3.35Å; W270-I273 WeakPolarHBondContact O-CB 3.4Å; W270-I273 PolarHBondContact O-N 2.93Å; E271-I273 PolarHBondContact O-N 3.26Å; I273-Q276 PolarHBondContact O-N 3Å; I273-M277 HydrophobicContact CG2-CG 4.34Å; I273-M277 WeakPolarHBondContact O-CG 3.4Å; I273-M277 PolarHBondContact O-N 3.45Å; I273-I331 HydrophobicContact CG2-CG1 4.44Å; I273-S334 VanDerWaalsContact CD1-CB 3.47Å; I273-Y335 HydrophobicContact CD1-CD2 4.34Å; I273-Y335 HydrophobicContact CD1-CE2 4.38Å; I273-I338 HydrophobicContact CD1-CD1 3.87Å
274	L	69.4	Low	73.8	Confident	43 Å²	43	51.6 Å²	51.6	23%	0.225	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-45	-175.8	-173.9	142.3	0	0	0	111.1	W270 E271 Q276 M277 D278	W270-L274 HydrophobicContact CH2-CD1 3.55Å; W270-L274 HydrophobicContact CZ2-CD1 3.28Å; W270-L274 HydrophobicContact CZ3-CD1 4.5Å; W270-L274 PolarHBondContact O-N 3.47Å; E271-L274 PolarHBondContact O-N 3.31Å; L274-Q276 VanDerWaalsContact C-N 3.34Å; L274-Q276 PolarHBondContact O-N 3.47Å; L274-M277 PolarHBondContact O-N 3.14Å; L274-D278 WeakPolarHBondContact CD2-OD2 3.48Å; L274-D278 VanDerWaalsContact O-CB 3.29Å; L274-D278 WeakPolarHBondContact O-CB 3.44Å; L274-D278 PolarHBondContact O-N 2.95Å
275	M	71	Confident	72.4	Confident	123 Å²	123	51.3 Å²	51.3	61%	0.606	25%	0.251	S	S	*	.	H	α-helix	trans	-57.7	-44.8	175.2	-78.1	-154.3	87.5	0	0	111.9	E271 L279	E271-M275 WeakPolarHBondContact O-CG 3.35Å; E271-M275 PolarHBondContact O-N 2.87Å; M275-L279 VanDerWaalsContact O-CB 3.29Å; M275-L279 WeakPolarHBondContact O-CB 3.34Å; M275-L279 WeakPolarHBondContact O-CD1 3.45Å; M275-L279 WeakPolarHBondContact O-CG 3.43Å; M275-L279 PolarHBondContact O-N 2.84Å
276	Q	68.6	Low	71.1	Confident	62 Å²	62	57.5 Å²	57.5	29%	0.29	28%	0.279	S	S	.	.	H	α-helix	trans	-68.8	-37	-178.1	-70.1	-163.6	15.1	0	0	113.3	E272 I273 L274 L327 S330	E272-Q276 WeakPolarHBondContact O-CG 3.21Å; E272-Q276 PolarHBondContact O-N 3.48Å; I273-Q276 PolarHBondContact O-N 3Å; L274-Q276 VanDerWaalsContact C-N 3.34Å; L274-Q276 PolarHBondContact O-N 3.47Å; Q276-L327 HydrophobicContact CB-CD1 3.89Å; Q276-S330 PolarHBondContact NE2-OG 3.15Å; Q276-S330 PolarHBondContact OE1-OG 3.5Å
277	M	66.3	Low	69.8	Low	19 Å²	19	62.9 Å²	62.9	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-76.4	-47	179.8	-73.7	-71.1	-78.5	0	0	112.3	I273 L274 L279 R280 L281 L327 I331 F408 V466	I273-M277 HydrophobicContact CG2-CG 4.34Å; I273-M277 WeakPolarHBondContact O-CG 3.4Å; I273-M277 PolarHBondContact O-N 3.45Å; L274-M277 PolarHBondContact O-N 3.14Å; M277-L279 PolarHBondContact O-N 2.85Å; M277-R280 PolarHBondContact O-N 3.43Å; M277-L281 HydrophobicContact CE-CD1 3.51Å; M277-L281 PolarHBondContact O-N 2.87Å; M277-L281 HydrophobicContact SD-CD1 4.08Å; M277-L327 HydrophobicContact SD-CD1 4.46Å; M277-L327 HydrophobicContact SD-CD2 4.41Å; M277-I331 HydrophobicContact CG-CD1 3.99Å; M277-I331 HydrophobicContact SD-CD1 3.5Å; M277-I331 VanDerWaalsContact SD-CD1 3.5Å; M277-F408 HydrophobicContact CE-CE1 3.84Å; M277-F408 HydrophobicContact CE-CZ 4.23Å; M277-V466 HydrophobicContact CE-CB 4.33Å; M277-V466 HydrophobicContact CE-CG1 3.37Å
278	D	61	Low	68.5	Low	49 Å²	49	63.4 Å²	63.4	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-38.7	-179.5	-87.6	-25.5	0	0	0	112	L274 R280 T282 K462	L274-D278 WeakPolarHBondContact CD2-OD2 3.48Å; L274-D278 VanDerWaalsContact O-CB 3.29Å; L274-D278 WeakPolarHBondContact O-CB 3.44Å; L274-D278 PolarHBondContact O-N 2.95Å; D278-R280 PolarHBondContact O-N 3.07Å; D278-R280 VanDerWaalsContact O-N 3.17Å; D278-T282 WeakPolarHBondContact O-CB 3.4Å; D278-T282 PolarHBondContact O-N 3.14Å; D278-T282 PolarHBondContact O-OG1 3.16Å; D278-T282 PolarHBondContact OD1-OG1 2.83Å; D278-K462 IonicContact OD1-NZ 2.77Å; D278-K462 PolarHBondContact OD1-NZ 3.35Å; D278-K462 IonicContact OD2-NZ 2.94Å; D278-K462 PolarHBondContact OD2-NZ 3.2Å
279	L	60.6	Low	67	Low	91 Å²	91	68.7 Å²	68.7	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-19.8	-179.5	-77.6	171.5	0	0	0	113.7	M275 M277 K283	M275-L279 VanDerWaalsContact O-CB 3.29Å; M275-L279 WeakPolarHBondContact O-CB 3.34Å; M275-L279 WeakPolarHBondContact O-CD1 3.45Å; M275-L279 WeakPolarHBondContact O-CG 3.43Å; M275-L279 PolarHBondContact O-N 2.84Å; M277-L279 PolarHBondContact O-N 2.85Å; L279-K283 WeakPolarHBondContact O-CD 3.15Å
280	R	64.9	Low	65.8	Low	132 Å²	132	70.8 Å²	70.8	50%	0.498	35%	0.345	S	S	.	.	H	α-helix	trans	-112.5	-40.6	-171.8	-64.1	-67.4	-177.3	170.7	-1.1	113.5	M277 D278 Q318	M277-R280 PolarHBondContact O-N 3.43Å; D278-R280 PolarHBondContact O-N 3.07Å; D278-R280 VanDerWaalsContact O-N 3.17Å; R280-Q318 PolarHBondContact NH1-O 3.06Å
281	L	62.9	Low	64.7	Low	36 Å²	36	76.3 Å²	76.3	19%	0.188	39%	0.386	C	S	.	.	H	α-helix	trans	-88.5	-36.4	-178.7	-73.5	162.8	0	0	0	112.6	M277 F284 V285 F450 V466	M277-L281 HydrophobicContact CE-CD1 3.51Å; M277-L281 PolarHBondContact O-N 2.87Å; M277-L281 HydrophobicContact SD-CD1 4.08Å; L281-F284 WeakPolarHBondContact O-CB 3.29Å; L281-F284 PolarHBondContact O-N 2.97Å; L281-V285 WeakPolarHBondContact O-CG2 3.38Å; L281-V285 PolarHBondContact O-N 3.39Å; L281-F450 HydrophobicContact CD2-CE1 4.5Å; L281-V466 HydrophobicContact CD1-CG1 4.22Å
282	T	58.6	Low	63.9	Low	41 Å²	41	74.1 Å²	74.1	25%	0.252	38%	0.38	S	S	.	.	H	α-helix	trans	-72.2	-33.8	-178.3	-51	0	0	0	0	111.8	D278 F284 V285 Q286	D278-T282 WeakPolarHBondContact O-CB 3.4Å; D278-T282 PolarHBondContact O-N 3.14Å; D278-T282 PolarHBondContact O-OG1 3.16Å; D278-T282 PolarHBondContact OD1-OG1 2.83Å; T282-F284 VanDerWaalsContact C-N 3.31Å; T282-F284 PolarHBondContact O-N 3.06Å; T282-V285 PolarHBondContact O-N 3.38Å; T282-Q286 WeakPolarHBondContact O-CG 3.49Å; T282-Q286 PolarHBondContact O-N 3.02Å; T282-Q286 VanDerWaalsContact O-N 3.09Å
283	K	62.8	Low	63.7	Low	102 Å²	102	71.8 Å²	71.8	44%	0.443	37%	0.369	S	S	.	.	H	α-helix	trans	-59.8	-40.6	170.3	-73.5	-169.8	-177.7	-179.2	0	112.3	L279 V285 Q286 E287	L279-K283 WeakPolarHBondContact O-CD 3.15Å; K283-V285 PolarHBondContact O-N 3.45Å; K283-Q286 PolarHBondContact O-N 3.08Å; K283-E287 VanDerWaalsContact O-CB 3.24Å; K283-E287 WeakPolarHBondContact O-CB 3.43Å; K283-E287 VanDerWaalsContact O-CG 3.23Å; K283-E287 WeakPolarHBondContact O-CG 3.33Å; K283-E287 PolarHBondContact O-N 3.06Å
284	F	62.3	Low	63.7	Low	10 Å²	10	71.9 Å²	71.9	4%	0.044	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-45	177.6	172.9	-118.7	0	0	0	112.4	L281 T282 Q286 E287 K288 V294 L311 L314	L281-F284 WeakPolarHBondContact O-CB 3.29Å; L281-F284 PolarHBondContact O-N 2.97Å; T282-F284 VanDerWaalsContact C-N 3.31Å; T282-F284 PolarHBondContact O-N 3.06Å; F284-Q286 VanDerWaalsContact C-N 3.33Å; F284-Q286 PolarHBondContact O-N 3.2Å; F284-E287 PolarHBondContact O-N 2.85Å; F284-K288 HydrophobicContact CE1-CD 4.41Å; F284-K288 HydrophobicContact CE2-CD 4.4Å; F284-K288 HydrophobicContact CE2-CG 4.36Å; F284-K288 HydrophobicContact CZ-CD 4.04Å; F284-K288 HydrophobicContact CZ-CG 4.49Å; F284-K288 WeakPolarHBondContact O-CB 3.45Å; F284-K288 PolarHBondContact O-N 2.81Å; F284-K288 VanDerWaalsContact O-N 3.11Å; F284-V294 HydrophobicContact CD1-CG2 4.15Å; F284-V294 HydrophobicContact CE1-CG1 4.12Å; F284-V294 HydrophobicContact CE1-CG2 3.85Å; F284-L311 HydrophobicContact CZ-CD1 4.15Å; F284-L314 HydrophobicContact CB-CD1 3.7Å; F284-L314 HydrophobicContact CB-CD2 3.97Å; F284-L314 HydrophobicContact CB-CG 4.44Å; F284-L314 HydrophobicContact CD1-CD2 3.87Å; F284-L314 HydrophobicContact CD2-CB 3.95Å; F284-L314 HydrophobicContact CD2-CD1 3.65Å; F284-L314 HydrophobicContact CD2-CD2 3.48Å; F284-L314 VanDerWaalsContact CD2-CD2 3.48Å; F284-L314 HydrophobicContact CD2-CG 3.85Å; F284-L314 HydrophobicContact CE1-CD2 4.17Å; F284-L314 HydrophobicContact CE2-CB 4.02Å; F284-L314 HydrophobicContact CE2-CD2 3.8Å; F284-L314 HydrophobicContact CE2-CG 4.3Å; F284-L314 HydrophobicContact CG-CD1 3.91Å; F284-L314 HydrophobicContact CG-CD2 3.49Å; F284-L314 VanDerWaalsContact CG-CD2 3.49Å; F284-L314 HydrophobicContact CG-CG 4.2Å; F284-L314 HydrophobicContact CZ-CD2 4.13Å
285	V	60	Low	64.2	Low	34 Å²	34	71.1 Å²	71.1	21%	0.206	37%	0.366	C	S	.	.	H	α-helix	trans	-65.4	-38.8	179.9	179.5	0	0	0	0	111.2	L281 T282 K283 V294 Y463 F464	L281-V285 WeakPolarHBondContact O-CG2 3.38Å; L281-V285 PolarHBondContact O-N 3.39Å; T282-V285 PolarHBondContact O-N 3.38Å; K283-V285 PolarHBondContact O-N 3.45Å; V285-V294 HydrophobicContact CG2-CG2 3.94Å; V285-Y463 HydrophobicContact CG1-CD2 3.76Å; V285-Y463 HydrophobicContact CG1-CE2 4.33Å; V285-Y463 HydrophobicContact CG1-CG 4.41Å; V285-F464 HydrophobicContact CB-CE2 4.3Å; V285-F464 HydrophobicContact CG1-CE2 3.89Å; V285-F464 HydrophobicContact CG2-CD2 3.94Å; V285-F464 HydrophobicContact CG2-CE2 3.4Å; V285-F464 VanDerWaalsContact CG2-CE2 3.4Å; V285-F464 HydrophobicContact CG2-CZ 4.44Å
286	Q	61.1	Low	64.6	Low	143 Å²	143	68.7 Å²	68.7	67%	0.668	36%	0.355	S	S	*	.	H	α-helix	trans	-76.6	-31.4	179.5	-70	177.5	-8.8	0	0	113.4	T282 K283 F284 K288	T282-Q286 WeakPolarHBondContact O-CG 3.49Å; T282-Q286 PolarHBondContact O-N 3.02Å; T282-Q286 VanDerWaalsContact O-N 3.09Å; K283-Q286 PolarHBondContact O-N 3.08Å; F284-Q286 VanDerWaalsContact C-N 3.33Å; F284-Q286 PolarHBondContact O-N 3.2Å; Q286-K288 VanDerWaalsContact C-N 3.35Å
287	E	62	Low	65.2	Low	113 Å²	113	66.3 Å²	66.3	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-83.4	-11.7	178.6	-71.2	173.4	-175.3	0	0	112.7	K283 F284 Q318	K283-E287 VanDerWaalsContact O-CB 3.24Å; K283-E287 WeakPolarHBondContact O-CB 3.43Å; K283-E287 VanDerWaalsContact O-CG 3.23Å; K283-E287 WeakPolarHBondContact O-CG 3.33Å; K283-E287 PolarHBondContact O-N 3.06Å; F284-E287 PolarHBondContact O-N 2.85Å; E287-Q318 PolarHBondContact OE2-NE2 3.46Å
288	K	60.7	Low	66.1	Low	28 Å²	28	65.7 Å²	65.7	12%	0.122	34%	0.34	C	S	.	.			trans	-77.3	127.5	178.8	-128.3	-169.6	168	-160.7	0	111.4	F284 Q286 T290 T292 E297	F284-K288 HydrophobicContact CE1-CD 4.41Å; F284-K288 HydrophobicContact CE2-CD 4.4Å; F284-K288 HydrophobicContact CE2-CG 4.36Å; F284-K288 HydrophobicContact CZ-CD 4.04Å; F284-K288 HydrophobicContact CZ-CG 4.49Å; F284-K288 WeakPolarHBondContact O-CB 3.45Å; F284-K288 PolarHBondContact O-N 2.81Å; F284-K288 VanDerWaalsContact O-N 3.11Å; Q286-K288 VanDerWaalsContact C-N 3.35Å; K288-T290 WeakPolarHBondContact CE-OG1 3.4Å; K288-T292 PolarHBondContact NZ-O 3.07Å; K288-T292 PolarHBondContact NZ-OG1 2.88Å; K288-E297 VanDerWaalsContact CE-CD 3.47Å; K288-E297 WeakPolarHBondContact CE-OE1 3.33Å; K288-E297 WeakPolarHBondContact CE-OE2 3.49Å; K288-E297 IonicContact NZ-OE1 2.69Å; K288-E297 PolarHBondContact NZ-OE1 3.38Å; K288-E297 IonicContact NZ-OE2 3.61Å; K288-E297 PolarHBondContact NZ-OE2 3.09Å
289	N	55.3	Low	67.2	Low	167 Å²	167	65.1 Å²	65.1	89%	0.893	34%	0.337	S	S	*	.			trans	-101.2	12.3	175.2	-70	-44.1	0	0	0	113.4
290	T	58.3	Low	68.4	Low	61 Å²	61	64.7 Å²	64.7	37%	0.374	34%	0.335	S	S	.	.	S	Bend	trans	-105.8	150.4	-175.9	33.2	0	0	0	0	112.7	K288 T292	K288-T290 WeakPolarHBondContact CE-OG1 3.4Å; T290-T292 VanDerWaalsContact C-N 3.28Å; T290-T292 PolarHBondContact O-N 3.4Å
291	S	61.5	Low	69.5	Low	131 Å²	131	58.8 Å²	58.8	92%	0.916	31%	0.314	S	S	*	.	S	Bend	trans	-81.7	4.3	-179	64.3	0	0	0	0	114.7
292	T	66.6	Low	70.7	Confident	65 Å²	65	58.5 Å²	58.5	40%	0.399	31%	0.312	S	S	.	.	S	Bend	trans	-89.5	132.1	-178.7	38.3	0	0	0	0	111.3	K288 T290 E297	K288-T292 PolarHBondContact NZ-O 3.07Å; K288-T292 PolarHBondContact NZ-OG1 2.88Å; T290-T292 VanDerWaalsContact C-N 3.28Å; T290-T292 PolarHBondContact O-N 3.4Å; T292-E297 PolarHBondContact OG1-OE1 3.48Å; T292-E297 VanDerWaalsContact OG1-OE1 3.14Å
293	Q	69.6	Low	72	Confident	53 Å²	53	62.4 Å²	62.4	25%	0.248	33%	0.331	C	S	.	.			trans	-65	149.5	177.2	-66.1	-176.6	1.7	0	0	111	Q295 D296 E297 E452	Q293-Q295 PolarHBondContact O-N 2.79Å; Q293-D296 PolarHBondContact O-N 3.13Å; Q293-E297 PolarHBondContact O-N 2.93Å; Q293-E452 HydrophobicContact CG-CG 4.33Å; Q293-E452 WeakPolarHBondContact CG-OE1 3.41Å; Q293-E452 PolarHBondContact NE2-OE1 2.89Å; Q293-E452 VanDerWaalsContact NE2-OE1 3.15Å; Q293-E452 PolarHBondContact NE2-OE2 2.78Å
294	V	74.8	Confident	73.1	Confident	7 Å²	7	66.5 Å²	66.5	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-36.5	176.3	177.5	0	0	0	0	111.1	F284 V285 D296 E297 F298 F450 F464	F284-V294 HydrophobicContact CD1-CG2 4.15Å; F284-V294 HydrophobicContact CE1-CG1 4.12Å; F284-V294 HydrophobicContact CE1-CG2 3.85Å; V285-V294 HydrophobicContact CG2-CG2 3.94Å; V294-D296 PolarHBondContact O-N 3.18Å; V294-E297 PolarHBondContact O-N 3.18Å; V294-F298 HydrophobicContact CG1-CD2 3.67Å; V294-F298 HydrophobicContact CG1-CE2 3.62Å; V294-F298 VanDerWaalsContact O-CD2 3.31Å; V294-F298 WeakPolarHBondContact O-CD2 3.24Å; V294-F298 PolarHBondContact O-N 3.3Å; V294-F450 HydrophobicContact CB-CD1 4.24Å; V294-F450 HydrophobicContact CG1-CD1 3.65Å; V294-F450 HydrophobicContact CG1-CE1 3.89Å; V294-F464 HydrophobicContact CB-CE1 4.44Å; V294-F464 HydrophobicContact CB-CZ 3.97Å; V294-F464 HydrophobicContact CG2-CE2 4.05Å; V294-F464 HydrophobicContact CG2-CZ 3.8Å
295	Q	78.6	Confident	74.1	Confident	27 Å²	27	68.7 Å²	68.7	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-56.6	-49	175	-179.3	-179.1	-15.8	0	0	111.9	Q293 E297 F298 L299 F450 S451	Q293-Q295 PolarHBondContact O-N 2.79Å; Q295-E297 VanDerWaalsContact C-N 3.35Å; Q295-E297 PolarHBondContact O-N 3.11Å; Q295-F298 PolarHBondContact O-N 3.35Å; Q295-L299 HydrophobicContact CG-CD1 3.77Å; Q295-L299 HydrophobicContact CG-CG 4.33Å; Q295-L299 WeakPolarHBondContact O-CB 3.36Å; Q295-L299 WeakPolarHBondContact O-CG 3.28Å; Q295-L299 PolarHBondContact O-N 2.88Å; Q295-F450 HydrophobicContact CB-CB 3.82Å; Q295-F450 HydrophobicContact CG-CB 4.45Å; Q295-S451 VanDerWaalsContact OE1-CA 3.24Å
296	D	80.5	Confident	74.9	Confident	71 Å²	71	74.4 Å²	74.4	38%	0.38	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-41.3	-175.3	-63.9	-27.5	0	0	0	111.5	Q293 V294 L299 D300	Q293-D296 PolarHBondContact O-N 3.13Å; V294-D296 PolarHBondContact O-N 3.18Å; D296-L299 PolarHBondContact O-N 3.37Å; D296-D300 WeakPolarHBondContact O-CB 3.36Å; D296-D300 PolarHBondContact O-N 2.99Å
297	E	80.9	Confident	75.9	Confident	13 Å²	13	68.9 Å²	68.9	6%	0.061	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-38.6	179.2	-66.4	-169.6	165.9	0	0	113.3	K288 T292 Q293 V294 Q295 L301 S308 L311	K288-E297 VanDerWaalsContact CE-CD 3.47Å; K288-E297 WeakPolarHBondContact CE-OE1 3.33Å; K288-E297 WeakPolarHBondContact CE-OE2 3.49Å; K288-E297 IonicContact NZ-OE1 2.69Å; K288-E297 PolarHBondContact NZ-OE1 3.38Å; K288-E297 IonicContact NZ-OE2 3.61Å; K288-E297 PolarHBondContact NZ-OE2 3.09Å; T292-E297 PolarHBondContact OG1-OE1 3.48Å; T292-E297 VanDerWaalsContact OG1-OE1 3.14Å; Q293-E297 PolarHBondContact O-N 2.93Å; V294-E297 PolarHBondContact O-N 3.18Å; Q295-E297 VanDerWaalsContact C-N 3.35Å; Q295-E297 PolarHBondContact O-N 3.11Å; E297-L301 WeakPolarHBondContact O-CB 3.5Å; E297-L301 PolarHBondContact O-N 3.42Å; E297-S308 PolarHBondContact OE1-OG 3.33Å; E297-S308 PolarHBondContact OE2-OG 3.46Å; E297-L311 HydrophobicContact CB-CD2 4.15Å
298	F	84.3	Confident	76.8	Confident	5 Å²	5	64.8 Å²	64.8	2%	0.022	36%	0.355	C	S	.	.	H	α-helix	trans	-71.1	-32.7	174.2	-82.5	-69.7	0	0	0	112.1	V294 Q295 L302 L311 F411 W414 L415 L446	V294-F298 HydrophobicContact CG1-CD2 3.67Å; V294-F298 HydrophobicContact CG1-CE2 3.62Å; V294-F298 VanDerWaalsContact O-CD2 3.31Å; V294-F298 WeakPolarHBondContact O-CD2 3.24Å; V294-F298 PolarHBondContact O-N 3.3Å; Q295-F298 PolarHBondContact O-N 3.35Å; F298-L302 WeakPolarHBondContact O-CB 2.86Å; F298-L302 PolarHBondContact O-N 3.46Å; F298-L311 HydrophobicContact CD1-CD2 4.42Å; F298-L311 HydrophobicContact CE1-CD1 4.03Å; F298-L311 HydrophobicContact CE2-CD1 4.11Å; F298-L311 HydrophobicContact CZ-CD1 3.74Å; F298-F411 HydrophobicContact CE1-CZ 4.45Å; F298-W414 HydrophobicContact CB-CH2 4.48Å; F298-W414 AromaticContact CD1-CH2 3.98Å; F298-W414 HydrophobicContact CD1-CH2 3.98Å; F298-W414 HydrophobicContact CD1-CZ3 4.07Å; F298-L415 HydrophobicContact CE1-CD1 3.95Å; F298-L415 HydrophobicContact CE1-CD2 4.46Å; F298-L446 HydrophobicContact CB-CD1 3.88Å; F298-L446 HydrophobicContact CB-CD2 3.53Å; F298-L446 HydrophobicContact CB-CG 4.34Å; F298-L446 HydrophobicContact CD2-CD2 4.46Å; F298-L446 HydrophobicContact CG-CD2 4.04Å
299	L	85.4	Confident	77.7	Confident	38 Å²	38	68 Å²	68	20%	0.199	38%	0.378	C	S	.	.	H	α-helix	trans	-69.1	-40.3	173.6	-75.8	174.3	0	0	0	111.7	Q295 D296 L301 L302 L303 L446	Q295-L299 HydrophobicContact CG-CD1 3.77Å; Q295-L299 HydrophobicContact CG-CG 4.33Å; Q295-L299 WeakPolarHBondContact O-CB 3.36Å; Q295-L299 WeakPolarHBondContact O-CG 3.28Å; Q295-L299 PolarHBondContact O-N 2.88Å; D296-L299 PolarHBondContact O-N 3.37Å; L299-L301 VanDerWaalsContact C-N 3.32Å; L299-L301 PolarHBondContact O-N 3.39Å; L299-L302 HydrophobicContact CD2-CD2 4.4Å; L299-L302 WeakPolarHBondContact O-CB 3.36Å; L299-L302 PolarHBondContact O-N 3.32Å; L299-L302 VanDerWaalsContact O-N 3.12Å; L299-L303 WeakPolarHBondContact O-CB 3.37Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 2.68Å; L299-L446 HydrophobicContact CD2-CB 4.19Å; L299-L446 HydrophobicContact CD2-CD1 3.83Å; L299-L446 HydrophobicContact CG-CB 4.44Å; L299-L446 HydrophobicContact CG-CD1 4.18Å
300	D	86	Confident	78.7	Confident	81 Å²	81	63.9 Å²	63.9	43%	0.433	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-40.8	174.2	-79.7	-22.6	0	0	0	111.3	D296 L302 L303 W304 G305	D296-D300 WeakPolarHBondContact O-CB 3.36Å; D296-D300 PolarHBondContact O-N 2.99Å; D300-L302 VanDerWaalsContact C-N 3.32Å; D300-L302 PolarHBondContact O-N 2.82Å; D300-L303 PolarHBondContact O-N 3.19Å; D300-W304 WeakPolarHBondContact O-CA 3.21Å; D300-W304 WeakPolarHBondContact O-CB 3.3Å; D300-W304 PolarHBondContact O-N 3.17Å; D300-G305 PolarHBondContact O-N 3.37Å
301	L	87.8	Confident	79.7	Confident	9 Å²	9	61 Å²	61	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-39.6	171.8	-179.3	60.7	0	0	0	111.9	E297 L299 G305 L311 L315 W414 M422	E297-L301 WeakPolarHBondContact O-CB 3.5Å; E297-L301 PolarHBondContact O-N 3.42Å; L299-L301 VanDerWaalsContact C-N 3.32Å; L299-L301 PolarHBondContact O-N 3.39Å; L301-G305 WeakPolarHBondContact O-CA 3.32Å; L301-G305 PolarHBondContact O-N 3.4Å; L301-L311 HydrophobicContact CB-CD2 4.49Å; L301-L311 HydrophobicContact CD2-CD2 4.16Å; L301-L315 HydrophobicContact CD2-CD1 4.38Å; L301-W414 HydrophobicContact CB-CZ2 4.4Å; L301-W414 HydrophobicContact CD2-CH2 4.16Å; L301-W414 HydrophobicContact CD2-CZ2 4.22Å; L301-W414 HydrophobicContact CG-CH2 4.33Å; L301-W414 HydrophobicContact CG-CZ2 4.01Å; L301-M422 HydrophobicContact CD1-SD 4.47Å
302	L	87.4	Confident	80.7	Confident	30 Å²	30	58.7 Å²	58.7	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-69.1	-43.1	179.8	-178	66.5	0	0	0	112.3	F298 L299 D300 W414 I439 V442 A443 L446	F298-L302 WeakPolarHBondContact O-CB 2.86Å; F298-L302 PolarHBondContact O-N 3.46Å; L299-L302 HydrophobicContact CD2-CD2 4.4Å; L299-L302 WeakPolarHBondContact O-CB 3.36Å; L299-L302 PolarHBondContact O-N 3.32Å; L299-L302 VanDerWaalsContact O-N 3.12Å; D300-L302 VanDerWaalsContact C-N 3.32Å; D300-L302 PolarHBondContact O-N 2.82Å; L302-W414 HydrophobicContact CB-CH2 4.24Å; L302-W414 HydrophobicContact CB-CZ2 3.68Å; L302-W414 HydrophobicContact CD1-CD2 4.11Å; L302-W414 VanDerWaalsContact CD1-CE2 3.48Å; L302-W414 HydrophobicContact CD1-CG 4.33Å; L302-W414 HydrophobicContact CD1-CZ2 3.81Å; L302-W414 VanDerWaalsContact CD1-NE1 3.32Å; L302-W414 HydrophobicContact CG-CZ2 4.36Å; L302-I439 HydrophobicContact CD1-CG2 4.37Å; L302-V442 HydrophobicContact CD1-CB 4.48Å; L302-V442 HydrophobicContact CD1-CG1 4.01Å; L302-V442 HydrophobicContact CD2-CB 4.46Å; L302-V442 HydrophobicContact CD2-CG1 4.05Å; L302-A443 HydrophobicContact CD2-CB 4.12Å; L302-L446 HydrophobicContact CD2-CD1 4.24Å
303	L	86.8	Confident	81.2	Confident	122 Å²	122	57.6 Å²	57.6	64%	0.639	31%	0.308	S	S	*	.	H	α-helix	trans	-83.1	-43.6	-174	-68.6	171.3	0	0	0	112.6	L299 D300	L299-L303 WeakPolarHBondContact O-CB 3.37Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 2.68Å; D300-L303 PolarHBondContact O-N 3.19Å
304	W	86.1	Confident	81.6	Confident	189 Å²	189	55.8 Å²	55.8	72%	0.716	30%	0.3	S	S	*	.	H	α-helix	trans	-110	-13.8	-170.3	-52.6	113.5	0	0	0	113.5	D300 Q306	D300-W304 WeakPolarHBondContact O-CA 3.21Å; D300-W304 WeakPolarHBondContact O-CB 3.3Å; D300-W304 PolarHBondContact O-N 3.17Å; W304-Q306 PolarHBondContact O-N 3.18Å
305	G	81.6	Confident	81.8	Confident	56 Å²	56	55.6 Å²	55.6	58%	0.577	30%	0.299	S	S	*	.			trans	69.7	10.6	-176	0	0	0	0	0	113.9	D300 L301	D300-G305 PolarHBondContact O-N 3.37Å; L301-G305 WeakPolarHBondContact O-CA 3.32Å; L301-G305 PolarHBondContact O-N 3.4Å
306	Q	78.3	Confident	81.9	Confident	153 Å²	153	56.2 Å²	56.2	72%	0.715	30%	0.302	S	S	*	.			trans	-104.2	122	178.9	-65	-171.5	-7.2	0	0	109.5	W304	W304-Q306 PolarHBondContact O-N 3.18Å
307	S	81.1	Confident	81.8	Confident	27 Å²	27	58.8 Å²	58.8	19%	0.189	32%	0.316	C	S	.	.			trans	-94.5	144.7	172.7	55.6	0	0	0	0	111.1	M422	S307-M422 WeakPolarHBondContact OG-CE 3.09Å
308	S	81.8	Confident	81.5	Confident	28 Å²	28	61.6 Å²	61.6	20%	0.196	33%	0.329	C	S	.	.			trans	-62.5	152.5	165	66.5	0	0	0	0	110.8	E297 E310 L311 Q312	E297-S308 PolarHBondContact OE1-OG 3.33Å; E297-S308 PolarHBondContact OE2-OG 3.46Å; S308-E310 WeakPolarHBondContact CB-OE2 3.38Å; S308-E310 PolarHBondContact O-N 2.6Å; S308-L311 PolarHBondContact O-N 3.3Å; S308-L311 VanDerWaalsContact OG-CB 3.23Å; S308-L311 WeakPolarHBondContact OG-CB 3.49Å; S308-L311 PolarHBondContact OG-N 3.03Å; S308-L311 VanDerWaalsContact OG-N 3.17Å; S308-Q312 WeakPolarHBondContact O-CB 3.34Å; S308-Q312 PolarHBondContact O-N 2.99Å
309	P	79.3	Confident	81.2	Confident	94 Å²	94	62.7 Å²	62.7	61%	0.61	34%	0.335	S	S	*	.	H	α-helix	trans	-60.6	-30.9	177.7	23.1	-31.6	0	0	0	112.2	A313	P309-A313 WeakPolarHBondContact O-CB 3.44Å; P309-A313 PolarHBondContact O-N 3.35Å
310	E	76.8	Confident	81.1	Confident	81 Å²	81	63.5 Å²	63.5	38%	0.379	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-47.1	174.6	-58.8	80.7	-172.8	0	0	111.8	S308 A313 L314	S308-E310 WeakPolarHBondContact CB-OE2 3.38Å; S308-E310 PolarHBondContact O-N 2.6Å; E310-A313 PolarHBondContact O-N 2.99Å; E310-L314 PolarHBondContact O-N 3.42Å
311	L	79.1	Confident	80.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-39.2	177.9	-177.5	64.2	0	0	0	111.4	F284 E297 F298 L301 S308 L314 L315	F284-L311 HydrophobicContact CZ-CD1 4.15Å; E297-L311 HydrophobicContact CB-CD2 4.15Å; F298-L311 HydrophobicContact CD1-CD2 4.42Å; F298-L311 HydrophobicContact CE1-CD1 4.03Å; F298-L311 HydrophobicContact CE2-CD1 4.11Å; F298-L311 HydrophobicContact CZ-CD1 3.74Å; L301-L311 HydrophobicContact CB-CD2 4.49Å; L301-L311 HydrophobicContact CD2-CD2 4.16Å; S308-L311 PolarHBondContact O-N 3.3Å; S308-L311 VanDerWaalsContact OG-CB 3.23Å; S308-L311 WeakPolarHBondContact OG-CB 3.49Å; S308-L311 PolarHBondContact OG-N 3.03Å; S308-L311 VanDerWaalsContact OG-N 3.17Å; L311-L314 HydrophobicContact CD1-CD2 4.31Å; L311-L314 WeakPolarHBondContact O-CB 3.48Å; L311-L314 PolarHBondContact O-N 3.33Å; L311-L315 HydrophobicContact CD1-CD1 4.29Å; L311-L315 HydrophobicContact CD1-CG 4.33Å; L311-L315 HydrophobicContact CG-CD1 4.05Å; L311-L315 HydrophobicContact CG-CG 4.48Å; L311-L315 WeakPolarHBondContact O-CG 3.34Å; L311-L315 PolarHBondContact O-N 3.35Å
312	Q	81.4	Confident	80.7	Confident	84 Å²	84	68.8 Å²	68.8	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175.1	-177.8	165.1	5.7	0	0	111.6	S308 L314 L315 M316 M422	S308-Q312 WeakPolarHBondContact O-CB 3.34Å; S308-Q312 PolarHBondContact O-N 2.99Å; Q312-L314 VanDerWaalsContact C-N 3.32Å; Q312-L314 PolarHBondContact O-N 3.02Å; Q312-L315 PolarHBondContact O-N 3.38Å; Q312-M316 HydrophobicContact CG-CG 4.22Å; Q312-M316 VanDerWaalsContact O-CB 3.3Å; Q312-M316 WeakPolarHBondContact O-CB 3.4Å; Q312-M316 WeakPolarHBondContact O-CG 3.36Å; Q312-M316 PolarHBondContact O-N 2.89Å; Q312-M422 HydrophobicContact CB-CE 3.8Å; Q312-M422 HydrophobicContact CG-CE 3.55Å
313	A	78.6	Confident	80.4	Confident	42 Å²	42	68.4 Å²	68.4	35%	0.347	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-39.5	176.1	0	0	0	0	0	112.1	P309 E310 N317	P309-A313 WeakPolarHBondContact O-CB 3.44Å; P309-A313 PolarHBondContact O-N 3.35Å; E310-A313 PolarHBondContact O-N 2.99Å; A313-N317 WeakPolarHBondContact O-CB 3.3Å; A313-N317 PolarHBondContact O-N 3.22Å
314	L	77.4	Confident	80.3	Confident	15 Å²	15	62.8 Å²	62.8	8%	0.079	34%	0.336	C	S	.	.	I	π-helix	trans	-60.9	-55.6	175.1	179	76.8	0	0	0	111.7	F284 E310 L311 Q312 M316 Q318 L319	F284-L314 HydrophobicContact CB-CD1 3.7Å; F284-L314 HydrophobicContact CB-CD2 3.97Å; F284-L314 HydrophobicContact CB-CG 4.44Å; F284-L314 HydrophobicContact CD1-CD2 3.87Å; F284-L314 HydrophobicContact CD2-CB 3.95Å; F284-L314 HydrophobicContact CD2-CD1 3.65Å; F284-L314 HydrophobicContact CD2-CD2 3.48Å; F284-L314 VanDerWaalsContact CD2-CD2 3.48Å; F284-L314 HydrophobicContact CD2-CG 3.85Å; F284-L314 HydrophobicContact CE1-CD2 4.17Å; F284-L314 HydrophobicContact CE2-CB 4.02Å; F284-L314 HydrophobicContact CE2-CD2 3.8Å; F284-L314 HydrophobicContact CE2-CG 4.3Å; F284-L314 HydrophobicContact CG-CD1 3.91Å; F284-L314 HydrophobicContact CG-CD2 3.49Å; F284-L314 VanDerWaalsContact CG-CD2 3.49Å; F284-L314 HydrophobicContact CG-CG 4.2Å; F284-L314 HydrophobicContact CZ-CD2 4.13Å; E310-L314 PolarHBondContact O-N 3.42Å; L311-L314 HydrophobicContact CD1-CD2 4.31Å; L311-L314 WeakPolarHBondContact O-CB 3.48Å; L311-L314 PolarHBondContact O-N 3.33Å; Q312-L314 VanDerWaalsContact C-N 3.32Å; Q312-L314 PolarHBondContact O-N 3.02Å; L314-M316 VanDerWaalsContact C-N 3.31Å; L314-M316 PolarHBondContact O-N 3.28Å; L314-Q318 HydrophobicContact CD1-CB 4.21Å; L314-Q318 HydrophobicContact CD1-CG 4.49Å; L314-Q318 PolarHBondContact O-N 3.13Å; L314-Q318 VanDerWaalsContact O-N 3.11Å; L314-L319 PolarHBondContact O-N 2.96Å
315	L	79.4	Confident	80.2	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	33%	0.327	C	S	.	.	I	π-helix	trans	-62.5	-41.2	-175.3	-68.6	174.1	0	0	0	110.8	L301 L311 Q312 L319 T320 L415 M419 M422	L301-L315 HydrophobicContact CD2-CD1 4.38Å; L311-L315 HydrophobicContact CD1-CD1 4.29Å; L311-L315 HydrophobicContact CD1-CG 4.33Å; L311-L315 HydrophobicContact CG-CD1 4.05Å; L311-L315 HydrophobicContact CG-CG 4.48Å; L311-L315 WeakPolarHBondContact O-CG 3.34Å; L311-L315 PolarHBondContact O-N 3.35Å; Q312-L315 PolarHBondContact O-N 3.38Å; L315-L319 HydrophobicContact CD2-CD2 4.02Å; L315-T320 WeakPolarHBondContact O-CA 3.48Å; L315-T320 PolarHBondContact O-N 2.61Å; L315-L415 HydrophobicContact CD1-CD1 4.08Å; L315-L415 HydrophobicContact CD2-CD1 3.94Å; L315-L415 HydrophobicContact CD2-CD2 4.18Å; L315-L415 HydrophobicContact CD2-CG 4.37Å; L315-M419 HydrophobicContact CB-CE 4.11Å; L315-M419 HydrophobicContact CB-CG 4.26Å; L315-M419 HydrophobicContact CB-SD 4.2Å; L315-M419 HydrophobicContact CD1-CG 4.39Å; L315-M419 HydrophobicContact CD2-SD 4.04Å; L315-M419 WeakPolarHBondContact O-CE 3.26Å; L315-M422 HydrophobicContact CD1-SD 4.46Å
316	M	80.8	Confident	80.3	Confident	40 Å²	40	64.1 Å²	64.1	20%	0.197	33%	0.332	C	S	.	.	I	π-helix	trans	-84.1	-41	-174.3	-60.2	-55.9	142.7	0	0	113.9	Q312 L314 M419 M422 C423	Q312-M316 HydrophobicContact CG-CG 4.22Å; Q312-M316 VanDerWaalsContact O-CB 3.3Å; Q312-M316 WeakPolarHBondContact O-CB 3.4Å; Q312-M316 WeakPolarHBondContact O-CG 3.36Å; Q312-M316 PolarHBondContact O-N 2.89Å; L314-M316 VanDerWaalsContact C-N 3.31Å; L314-M316 PolarHBondContact O-N 3.28Å; M316-M419 HydrophobicContact CE-CB 3.93Å; M316-M419 HydrophobicContact CE-CE 4.15Å; M316-M419 HydrophobicContact CE-CG 3.89Å; M316-M419 HydrophobicContact SD-CE 4.47Å; M316-M422 HydrophobicContact CE-CB 3.67Å; M316-M422 HydrophobicContact CE-CE 3.99Å; M316-M422 HydrophobicContact CE-CG 4.43Å; M316-M422 HydrophobicContact CE-SD 3.95Å; M316-C423 PolarHBondContact SD-SG 3.02Å
317	N	78.1	Confident	80.6	Confident	125 Å²	125	57.8 Å²	57.8	67%	0.668	30%	0.302	S	S	*	.	I	π-helix	trans	-96.2	-39.8	-172.1	-58.6	-26.2	0	0	0	113.1	A313	A313-N317 WeakPolarHBondContact O-CB 3.3Å; A313-N317 PolarHBondContact O-N 3.22Å
318	Q	74.4	Confident	80.7	Confident	73 Å²	73	57.2 Å²	57.2	34%	0.341	30%	0.301	S	S	.	.	I	π-helix	trans	-94.9	-44.3	-174.2	-63.8	-167.5	2	0	0	112.9	R280 E287 L314	R280-Q318 PolarHBondContact NH1-O 3.06Å; E287-Q318 PolarHBondContact OE2-NE2 3.46Å; L314-Q318 HydrophobicContact CD1-CB 4.21Å; L314-Q318 HydrophobicContact CD1-CG 4.49Å; L314-Q318 PolarHBondContact O-N 3.13Å; L314-Q318 VanDerWaalsContact O-N 3.11Å
319	L	76.8	Confident	80.9	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.141	32%	0.316	C	S	.	.	I	π-helix	trans	-86.1	-47.6	-178.1	-168.8	64.8	0	0	0	111.6	L314 L315 G323 L324 L327	L314-L319 PolarHBondContact O-N 2.96Å; L315-L319 HydrophobicContact CD2-CD2 4.02Å; L319-G323 VanDerWaalsContact O-CA 3.22Å; L319-G323 WeakPolarHBondContact O-CA 3.36Å; L319-L324 HydrophobicContact CD2-CB 4.28Å; L319-L324 HydrophobicContact CD2-CD1 3.56Å; L319-L324 HydrophobicContact CG-CB 4.32Å; L319-L324 HydrophobicContact CG-CD1 4.37Å; L319-L327 HydrophobicContact CD1-CD2 4.1Å
320	T	83.3	Confident	81.2	Confident	56 Å²	56	57.8 Å²	57.8	34%	0.344	29%	0.294	S	S	.	.			trans	60.6	155.6	-174.5	75.9	0	0	0	0	113.8	L315 K322 G323 L324	L315-T320 WeakPolarHBondContact O-CA 3.48Å; L315-T320 PolarHBondContact O-N 2.61Å; T320-K322 VanDerWaalsContact C-N 3.29Å; T320-K322 PolarHBondContact O-N 2.86Å; T320-G323 PolarHBondContact O-N 3.4Å; T320-G323 PolarHBondContact OG1-N 3.12Å; T320-L324 PolarHBondContact O-N 2.97Å
321	V	82.9	Confident	81.5	Confident	26 Å²	26	54.1 Å²	54.1	16%	0.158	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-40	177.2	179	0	0	0	0	111.7	K325 Y416 M419 L420	V321-K325 PolarHBondContact O-N 3.13Å; V321-Y416 HydrophobicContact CG1-CD2 4.12Å; V321-Y416 HydrophobicContact CG1-CE2 3.46Å; V321-Y416 VanDerWaalsContact CG1-CE2 3.46Å; V321-M419 HydrophobicContact CG2-CB 4.24Å; V321-M419 HydrophobicContact CG2-CE 3.98Å; V321-L420 HydrophobicContact CG1-CD2 4.12Å
322	K	82.9	Confident	81.8	Confident	174 Å²	174	58.6 Å²	58.6	76%	0.757	30%	0.298	S	S	*	.	H	α-helix	trans	-69.1	-40.2	177.8	-69.5	-177.6	-178.3	176.2	0	112	T320 K325 K326	T320-K322 VanDerWaalsContact C-N 3.29Å; T320-K322 PolarHBondContact O-N 2.86Å; K322-K325 PolarHBondContact O-N 3.16Å; K322-K326 PolarHBondContact O-N 3.44Å; K322-K326 VanDerWaalsContact O-N 3.13Å
323	G	82.6	Confident	82.1	Confident	22 Å²	22	57.5 Å²	57.5	23%	0.227	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-38.8	177.3	0	0	0	0	0	112.4	L319 T320 K325 K326 L327	L319-G323 VanDerWaalsContact O-CA 3.22Å; L319-G323 WeakPolarHBondContact O-CA 3.36Å; T320-G323 PolarHBondContact O-N 3.4Å; T320-G323 PolarHBondContact OG1-N 3.12Å; G323-K325 VanDerWaalsContact C-N 3.35Å; G323-K325 PolarHBondContact O-N 3.28Å; G323-K326 PolarHBondContact O-N 3.04Å; G323-L327 WeakPolarHBondContact O-CB 3.15Å; G323-L327 PolarHBondContact O-N 2.94Å
324	L	83.9	Confident	82.5	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-44.3	173.3	-173.6	75.9	0	0	0	111.8	L319 T320 L327 G328 F412 L415 Y416 M419	L319-L324 HydrophobicContact CD2-CB 4.28Å; L319-L324 HydrophobicContact CD2-CD1 3.56Å; L319-L324 HydrophobicContact CG-CB 4.32Å; L319-L324 HydrophobicContact CG-CD1 4.37Å; T320-L324 PolarHBondContact O-N 2.97Å; L324-L327 PolarHBondContact O-N 2.88Å; L324-G328 PolarHBondContact O-N 2.73Å; L324-F412 HydrophobicContact CD1-CD1 3.6Å; L324-F412 HydrophobicContact CD1-CE1 3.61Å; L324-F412 HydrophobicContact CG-CD1 4.09Å; L324-F412 HydrophobicContact CG-CE1 4.44Å; L324-L415 HydrophobicContact CD1-CD2 3.77Å; L324-L415 HydrophobicContact CD1-CG 4.33Å; L324-L415 HydrophobicContact CD2-CB 4.28Å; L324-L415 HydrophobicContact CD2-CD2 4.43Å; L324-L415 HydrophobicContact CD2-CG 4.09Å; L324-Y416 HydrophobicContact CD2-CD2 4.25Å; L324-M419 HydrophobicContact CB-SD 4.37Å; L324-M419 HydrophobicContact CD2-SD 3.74Å; L324-M419 HydrophobicContact CG-SD 4.5Å
325	K	83.6	Confident	83	Confident	119 Å²	119	55.1 Å²	55.1	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-42.9	178.3	-170.8	176	-179.2	178	0	112	V321 K322 G323 Q329	V321-K325 PolarHBondContact O-N 3.13Å; K322-K325 PolarHBondContact O-N 3.16Å; G323-K325 VanDerWaalsContact C-N 3.35Å; G323-K325 PolarHBondContact O-N 3.28Å; K325-Q329 WeakPolarHBondContact O-CB 3.34Å; K325-Q329 WeakPolarHBondContact O-CG 3.48Å; K325-Q329 PolarHBondContact O-N 2.86Å
326	K	84.5	Confident	83.6	Confident	155 Å²	155	57.2 Å²	57.2	67%	0.674	30%	0.296	S	S	*	.	H	α-helix	trans	-63.8	-44.2	175.7	-74	-173.2	177.1	-171.2	0	111.9	K322 G323 Q329 S330	K322-K326 PolarHBondContact O-N 3.44Å; K322-K326 VanDerWaalsContact O-N 3.13Å; G323-K326 PolarHBondContact O-N 3.04Å; K326-Q329 PolarHBondContact O-N 3.26Å; K326-S330 WeakPolarHBondContact O-CB 3.48Å; K326-S330 PolarHBondContact O-N 3.19Å
327	L	83.6	Confident	84	Confident	19 Å²	19	58 Å²	58	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-48.2	177.5	-179.2	64.1	0	0	0	111.2	Q276 M277 L319 G323 L324 Q329 S330 I331 F412	Q276-L327 HydrophobicContact CB-CD1 3.89Å; M277-L327 HydrophobicContact SD-CD1 4.46Å; M277-L327 HydrophobicContact SD-CD2 4.41Å; L319-L327 HydrophobicContact CD1-CD2 4.1Å; G323-L327 WeakPolarHBondContact O-CB 3.15Å; G323-L327 PolarHBondContact O-N 2.94Å; L324-L327 PolarHBondContact O-N 2.88Å; L327-Q329 PolarHBondContact O-N 2.99Å; L327-S330 PolarHBondContact O-N 2.96Å; L327-I331 HydrophobicContact CD1-CD1 3.81Å; L327-I331 HydrophobicContact CD1-CG1 4.29Å; L327-I331 HydrophobicContact CG-CD1 3.81Å; L327-I331 VanDerWaalsContact O-CG1 3.3Å; L327-I331 WeakPolarHBondContact O-CG1 3.22Å; L327-I331 PolarHBondContact O-N 3.34Å; L327-F412 HydrophobicContact CD2-CE1 4.13Å; L327-F412 HydrophobicContact CD2-CZ 4.17Å; L327-F412 HydrophobicContact CG-CE1 4.33Å; L327-F412 HydrophobicContact CG-CZ 4.17Å
328	G	83.5	Confident	84.6	Confident	15 Å²	15	52 Å²	52	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-43.1	177.6	0	0	0	0	0	112.8	L324 E332	L324-G328 PolarHBondContact O-N 2.73Å; G328-E332 WeakPolarHBondContact O-CB 3.46Å; G328-E332 PolarHBondContact O-N 3.03Å
329	Q	86.8	Confident	85.5	Confident	112 Å²	112	50.9 Å²	50.9	52%	0.523	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-44	175.9	-75.6	177.2	-17.3	0	0	112.2	K325 K326 L327 E332 S333	K325-Q329 WeakPolarHBondContact O-CB 3.34Å; K325-Q329 WeakPolarHBondContact O-CG 3.48Å; K325-Q329 PolarHBondContact O-N 2.86Å; K326-Q329 PolarHBondContact O-N 3.26Å; L327-Q329 PolarHBondContact O-N 2.99Å; Q329-E332 PolarHBondContact O-N 3.46Å; Q329-S333 PolarHBondContact O-N 3.33Å; Q329-S333 PolarHBondContact O-OG 3.48Å; Q329-S333 VanDerWaalsContact O-OG 3.12Å
330	S	84.7	Confident	86.2	Confident	22 Å²	22	55.9 Å²	55.9	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-45.1	178.8	-160.4	0	0	0	0	111.5	Q276 K326 L327 S333 S334	Q276-S330 PolarHBondContact NE2-OG 3.15Å; Q276-S330 PolarHBondContact OE1-OG 3.5Å; K326-S330 WeakPolarHBondContact O-CB 3.48Å; K326-S330 PolarHBondContact O-N 3.19Å; L327-S330 PolarHBondContact O-N 2.96Å; S330-S333 WeakPolarHBondContact CA-OG 3.46Å; S330-S333 PolarHBondContact O-N 2.87Å; S330-S333 PolarHBondContact O-OG 3.3Å; S330-S334 PolarHBondContact O-N 3.2Å; S330-S334 PolarHBondContact O-OG 3.04Å
331	I	83.5	Confident	86.7	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-44.8	178.1	-67.8	169.3	0	0	0	110.8	I273 M277 L327 S333 S334 Y335 F412	I273-I331 HydrophobicContact CG2-CG1 4.44Å; M277-I331 HydrophobicContact CG-CD1 3.99Å; M277-I331 HydrophobicContact SD-CD1 3.5Å; M277-I331 VanDerWaalsContact SD-CD1 3.5Å; L327-I331 HydrophobicContact CD1-CD1 3.81Å; L327-I331 HydrophobicContact CD1-CG1 4.29Å; L327-I331 HydrophobicContact CG-CD1 3.81Å; L327-I331 VanDerWaalsContact O-CG1 3.3Å; L327-I331 WeakPolarHBondContact O-CG1 3.22Å; L327-I331 PolarHBondContact O-N 3.34Å; I331-S333 VanDerWaalsContact C-N 3.35Å; I331-S333 PolarHBondContact O-N 3.05Å; I331-S334 PolarHBondContact O-N 2.94Å; I331-Y335 HydrophobicContact CG2-CD2 3.51Å; I331-Y335 HydrophobicContact CG2-CE2 3.53Å; I331-Y335 VanDerWaalsContact O-CD2 3.29Å; I331-Y335 WeakPolarHBondContact O-CD2 3.34Å; I331-Y335 PolarHBondContact O-N 3.36Å; I331-F412 HydrophobicContact CD1-CE2 3.76Å; I331-F412 HydrophobicContact CD1-CZ 3.64Å
332	E	85.6	Confident	87.2	Confident	93 Å²	93	52.5 Å²	52.5	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-41.4	177.2	-172.2	170.3	-155.1	0	0	111.5	G328 Q329 S336 K409	G328-E332 WeakPolarHBondContact O-CB 3.46Å; G328-E332 PolarHBondContact O-N 3.03Å; Q329-E332 PolarHBondContact O-N 3.46Å; E332-S336 VanDerWaalsContact O-CB 3.31Å; E332-S336 WeakPolarHBondContact O-CB 3.47Å; E332-S336 PolarHBondContact O-N 3.16Å; E332-K409 IonicContact OE1-NZ 2.68Å; E332-K409 PolarHBondContact OE1-NZ 3.02Å
333	S	87.6	Confident	87.6	Confident	62 Å²	62	47.5 Å²	47.5	43%	0.434	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-44.6	175.8	55.6	0	0	0	0	112.6	Q329 S330 I331 S336 S337	Q329-S333 PolarHBondContact O-N 3.33Å; Q329-S333 PolarHBondContact O-OG 3.48Å; Q329-S333 VanDerWaalsContact O-OG 3.12Å; S330-S333 WeakPolarHBondContact CA-OG 3.46Å; S330-S333 PolarHBondContact O-N 2.87Å; S330-S333 PolarHBondContact O-OG 3.3Å; I331-S333 VanDerWaalsContact C-N 3.35Å; I331-S333 PolarHBondContact O-N 3.05Å; S333-S336 PolarHBondContact O-N 3.27Å; S333-S337 PolarHBondContact O-N 3.41Å; S333-S337 PolarHBondContact O-OG 3.22Å; S333-S337 VanDerWaalsContact O-OG 3.07Å
334	S	87.1	Confident	88	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.028	26%	0.255	C	S	.	.	H	α-helix	trans	-68.1	-41.3	-179.2	-56.8	0	0	0	0	111.7	I273 S330 I331 S336 S337 I338	I273-S334 VanDerWaalsContact CD1-CB 3.47Å; S330-S334 PolarHBondContact O-N 3.2Å; S330-S334 PolarHBondContact O-OG 3.04Å; I331-S334 PolarHBondContact O-N 2.94Å; S334-S336 PolarHBondContact O-N 3.06Å; S334-S337 WeakPolarHBondContact O-CB 3.31Å; S334-S337 PolarHBondContact O-N 3.06Å; S334-I338 VanDerWaalsContact O-CG1 3.31Å; S334-I338 WeakPolarHBondContact O-CG1 3.31Å; S334-I338 PolarHBondContact O-N 3.01Å
335	Y	88.4	Confident	88.3	Confident	3 Å²	3	49.5 Å²	49.5	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-41.9	172.6	-87.2	-66.9	0	0	0	112.5	I273 I331 S337 I338 Q339 I401 S404 F408 V469	I273-Y335 HydrophobicContact CD1-CD2 4.34Å; I273-Y335 HydrophobicContact CD1-CE2 4.38Å; I331-Y335 HydrophobicContact CG2-CD2 3.51Å; I331-Y335 HydrophobicContact CG2-CE2 3.53Å; I331-Y335 VanDerWaalsContact O-CD2 3.29Å; I331-Y335 WeakPolarHBondContact O-CD2 3.34Å; I331-Y335 PolarHBondContact O-N 3.36Å; Y335-S337 VanDerWaalsContact C-N 3.29Å; Y335-S337 PolarHBondContact O-N 3.41Å; Y335-I338 PolarHBondContact O-N 3.07Å; Y335-Q339 VanDerWaalsContact O-CB 3.25Å; Y335-Q339 WeakPolarHBondContact O-CB 3.45Å; Y335-Q339 PolarHBondContact O-N 3.12Å; Y335-I401 HydrophobicContact CD1-CG2 3.99Å; Y335-S404 PolarHBondContact OH-OG 3.06Å; Y335-F408 AromaticContact CE2-CD2 3.92Å; Y335-F408 HydrophobicContact CE2-CD2 3.92Å; Y335-F408 HydrophobicContact CE2-CE2 4.09Å; Y335-F408 WeakPolarHBondContact OH-CE2 3.09Å; Y335-V469 HydrophobicContact CE1-CB 4.28Å; Y335-V469 HydrophobicContact CE1-CG2 3.75Å
336	S	90.3	Very high	88.7	Confident	45 Å²	45	43.9 Å²	43.9	32%	0.315	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-38.9	173.9	171.5	0	0	0	0	111.5	E332 S333 S334 K340	E332-S336 VanDerWaalsContact O-CB 3.31Å; E332-S336 WeakPolarHBondContact O-CB 3.47Å; E332-S336 PolarHBondContact O-N 3.16Å; S333-S336 PolarHBondContact O-N 3.27Å; S334-S336 PolarHBondContact O-N 3.06Å; S336-K340 VanDerWaalsContact O-CG 3.27Å; S336-K340 WeakPolarHBondContact O-CG 3.32Å; S336-K340 PolarHBondContact O-N 2.81Å
337	S	90.4	Very high	89.1	Confident	57 Å²	57	37.7 Å²	37.7	40%	0.399	21%	0.207	S	C	.	.	H	α-helix	trans	-65.2	-50.1	176.1	-65.8	0	0	0	0	111.1	S333 S334 Y335 Q339 K340 L341	S333-S337 PolarHBondContact O-N 3.41Å; S333-S337 PolarHBondContact O-OG 3.22Å; S333-S337 VanDerWaalsContact O-OG 3.07Å; S334-S337 WeakPolarHBondContact O-CB 3.31Å; S334-S337 PolarHBondContact O-N 3.06Å; Y335-S337 VanDerWaalsContact C-N 3.29Å; Y335-S337 PolarHBondContact O-N 3.41Å; S337-Q339 VanDerWaalsContact C-N 3.32Å; S337-Q339 PolarHBondContact O-N 3.44Å; S337-K340 PolarHBondContact O-N 3.36Å; S337-L341 WeakPolarHBondContact O-CG 3.46Å; S337-L341 PolarHBondContact O-N 2.84Å
338	I	91.1	Very high	89.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-43.4	177.3	-62.7	165.9	0	0	0	110.7	M266 A269 W270 I273 S334 Y335 K340 L341 V342 I401	M266-I338 HydrophobicContact CE-CG2 4.04Å; A269-I338 HydrophobicContact CB-CD1 4.44Å; A269-I338 HydrophobicContact CB-CG1 3.91Å; W270-I338 HydrophobicContact CB-CD1 3.99Å; I273-I338 HydrophobicContact CD1-CD1 3.87Å; S334-I338 VanDerWaalsContact O-CG1 3.31Å; S334-I338 WeakPolarHBondContact O-CG1 3.31Å; S334-I338 PolarHBondContact O-N 3.01Å; Y335-I338 PolarHBondContact O-N 3.07Å; I338-K340 PolarHBondContact O-N 3.17Å; I338-L341 PolarHBondContact O-N 2.82Å; I338-V342 WeakPolarHBondContact O-CG2 3.39Å; I338-V342 PolarHBondContact O-N 2.91Å; I338-I401 HydrophobicContact CG2-CD1 3.69Å
339	Q	93	Very high	89.8	Confident	49 Å²	49	37 Å²	37	23%	0.229	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-45.1	177	-179.8	167.4	28.3	0	0	112.1	Y335 S337 V342 I343 L398 I401 D402	Y335-Q339 VanDerWaalsContact O-CB 3.25Å; Y335-Q339 WeakPolarHBondContact O-CB 3.45Å; Y335-Q339 PolarHBondContact O-N 3.12Å; S337-Q339 VanDerWaalsContact C-N 3.32Å; S337-Q339 PolarHBondContact O-N 3.44Å; Q339-V342 PolarHBondContact O-N 3.45Å; Q339-I343 HydrophobicContact CG-CD1 3.87Å; Q339-I343 WeakPolarHBondContact O-CG1 3.3Å; Q339-I343 PolarHBondContact O-N 2.85Å; Q339-L398 HydrophobicContact CG-CD1 3.8Å; Q339-I401 HydrophobicContact CB-CG2 4.17Å; Q339-D402 PolarHBondContact NE2-OD1 3.3Å
340	K	92	Very high	90.2	Very high	131 Å²	131	31.8 Å²	31.8	57%	0.57	18%	0.177	S	C	*	.	H	α-helix	trans	-63.4	-41.8	175.7	-73.7	173.7	-175.9	-179.9	0	112	S336 S337 I338 V342 I343 S344	S336-K340 VanDerWaalsContact O-CG 3.27Å; S336-K340 WeakPolarHBondContact O-CG 3.32Å; S336-K340 PolarHBondContact O-N 2.81Å; S337-K340 PolarHBondContact O-N 3.36Å; I338-K340 PolarHBondContact O-N 3.17Å; K340-V342 VanDerWaalsContact C-N 3.33Å; K340-V342 PolarHBondContact O-N 2.98Å; K340-I343 PolarHBondContact O-N 3.22Å; K340-S344 VanDerWaalsContact O-CB 3.3Å; K340-S344 WeakPolarHBondContact O-CB 3.41Å; K340-S344 PolarHBondContact O-N 3.34Å
341	L	92	Very high	90.5	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-41	176.7	-68	171.1	0	0	0	111.4	P139 C265 M266 S337 I338 H345 L346	P139-L341 HydrophobicContact CG-CD2 4.27Å; C265-L341 HydrophobicContact CB-CD1 4.16Å; C265-L341 HydrophobicContact CB-CD2 4.49Å; M266-L341 HydrophobicContact CB-CD1 4.3Å; M266-L341 HydrophobicContact CG-CB 3.54Å; M266-L341 HydrophobicContact CG-CD1 3.57Å; M266-L341 HydrophobicContact CG-CG 4.18Å; M266-L341 HydrophobicContact SD-CB 4.13Å; S337-L341 WeakPolarHBondContact O-CG 3.46Å; S337-L341 PolarHBondContact O-N 2.84Å; I338-L341 PolarHBondContact O-N 2.82Å; L341-H345 WeakPolarHBondContact CD2-CD2 3.31Å; L341-H345 VanDerWaalsContact O-CB 3.31Å; L341-H345 WeakPolarHBondContact O-CB 3.31Å; L341-H345 PolarHBondContact O-N 3.36Å; L341-H345 VanDerWaalsContact O-N 3.16Å; L341-L346 PolarHBondContact O-N 3.42Å
342	V	93.9	Very high	90.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-64.5	-51.3	176.8	174.8	0	0	0	0	111.5	M266 I338 Q339 K340 L346 Q347 L397 L398 I401	M266-V342 HydrophobicContact CE-CG2 3.33Å; M266-V342 HydrophobicContact SD-CG2 3.89Å; I338-V342 WeakPolarHBondContact O-CG2 3.39Å; I338-V342 PolarHBondContact O-N 2.91Å; Q339-V342 PolarHBondContact O-N 3.45Å; K340-V342 VanDerWaalsContact C-N 3.33Å; K340-V342 PolarHBondContact O-N 2.98Å; V342-L346 WeakPolarHBondContact O-CB 3.46Å; V342-L346 PolarHBondContact O-N 3.28Å; V342-Q347 WeakPolarHBondContact O-CG 3.45Å; V342-Q347 PolarHBondContact O-N 2.94Å; V342-L397 HydrophobicContact CG2-CD2 4.19Å; V342-L398 HydrophobicContact CG1-CB 4.22Å; V342-I401 HydrophobicContact CG2-CD1 4.22Å
343	I	91.9	Very high	91.3	Very high	70 Å²	70	31.3 Å²	31.3	36%	0.359	17%	0.174	S	C	.	.	I	π-helix	trans	-71.7	-51.8	-174.2	-62.7	168.3	0	0	0	111	Q339 K340 L398	Q339-I343 HydrophobicContact CG-CD1 3.87Å; Q339-I343 WeakPolarHBondContact O-CG1 3.3Å; Q339-I343 PolarHBondContact O-N 2.85Å; K340-I343 PolarHBondContact O-N 3.22Å; I343-L398 HydrophobicContact CD1-CD1 3.99Å; I343-L398 HydrophobicContact CD1-CD2 4.24Å; I343-L398 HydrophobicContact CG1-CD1 3.96Å; I343-L398 HydrophobicContact CG1-CD2 3.87Å
344	S	90.4	Very high	91.6	Very high	49 Å²	49	31.1 Å²	31.1	34%	0.343	17%	0.168	S	C	.	.	I	π-helix	trans	-84.6	-24.4	-169	-59.9	0	0	0	0	113.5	P136 K340 S348	P136-S344 WeakPolarHBondContact CD-O 3.29Å; P136-S344 WeakPolarHBondContact CG-O 3.33Å; K340-S344 VanDerWaalsContact O-CB 3.3Å; K340-S344 WeakPolarHBondContact O-CB 3.41Å; K340-S344 PolarHBondContact O-N 3.34Å; S344-S348 WeakPolarHBondContact O-CB 3.3Å; S344-S348 PolarHBondContact O-OG 3.02Å
345	H	90.6	Very high	91.9	Very high	19 Å²	19	33.5 Å²	33.5	9%	0.088	18%	0.177	C	C	.	.	I	π-helix	trans	-115.1	-56.4	-175.1	-50.2	-14.1	0	0	0	111.3	L138 Y258 L341 G349	L138-H345 HydrophobicContact CD2-CB 4.36Å; L138-H345 WeakPolarHBondContact CD2-CD2 3.17Å; Y258-H345 HydrophobicContact CE1-CB 3.99Å; Y258-H345 WeakPolarHBondContact OH-CB 3.4Å; Y258-H345 PolarHBondContact OH-ND1 2.83Å; L341-H345 WeakPolarHBondContact CD2-CD2 3.31Å; L341-H345 VanDerWaalsContact O-CB 3.31Å; L341-H345 WeakPolarHBondContact O-CB 3.31Å; L341-H345 PolarHBondContact O-N 3.36Å; L341-H345 VanDerWaalsContact O-N 3.16Å; H345-G349 PolarHBondContact O-N 2.99Å
346	L	92.6	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-66.5	-44.6	-173.9	-155	73.3	0	0	0	112.4	L259 M266 L341 V342 S350 F390 A394 L516	L259-L346 HydrophobicContact CD2-CD1 3.87Å; L259-L346 HydrophobicContact CD2-CG 4.37Å; L259-L346 WeakPolarHBondContact CD2-O 3.36Å; M266-L346 HydrophobicContact SD-CD2 4.38Å; L341-L346 PolarHBondContact O-N 3.42Å; V342-L346 WeakPolarHBondContact O-CB 3.46Å; V342-L346 PolarHBondContact O-N 3.28Å; L346-S350 VanDerWaalsContact O-CB 3.31Å; L346-S350 WeakPolarHBondContact O-CB 3.27Å; L346-S350 PolarHBondContact O-N 3.27Å; L346-S350 PolarHBondContact O-OG 3.34Å; L346-F390 HydrophobicContact CD1-CE1 4.15Å; L346-F390 HydrophobicContact CD1-CZ 3.87Å; L346-F390 HydrophobicContact CD2-CE1 4.36Å; L346-F390 HydrophobicContact CD2-CZ 3.98Å; L346-F390 HydrophobicContact CG-CE1 4.02Å; L346-F390 HydrophobicContact CG-CZ 3.98Å; L346-A394 HydrophobicContact CD2-CB 3.83Å; L346-L516 HydrophobicContact CD2-CD2 4.1Å
347	Q	92	Very high	92.3	Very high	25 Å²	25	31.7 Å²	31.7	12%	0.117	16%	0.163	C	C	.	.	I	π-helix	trans	-68.3	-53	176.7	-72.3	178.4	-23.3	0	0	111.4	V342 G349 S350 E351 N395	V342-Q347 WeakPolarHBondContact O-CG 3.45Å; V342-Q347 PolarHBondContact O-N 2.94Å; Q347-G349 VanDerWaalsContact C-N 3.29Å; Q347-G349 PolarHBondContact O-N 3.32Å; Q347-S350 PolarHBondContact O-N 3.29Å; Q347-E351 WeakPolarHBondContact O-CG 3.38Å; Q347-E351 PolarHBondContact O-N 2.92Å; Q347-N395 PolarHBondContact NE2-OD1 2.8Å
348	S	91	Very high	92.4	Very high	21 Å²	21	31.8 Å²	31.8	15%	0.147	16%	0.164	C	C	.	.	H	α-helix	trans	-54.6	-43.6	177.5	-48.2	0	0	0	0	112.5	S344 E351 A352	S344-S348 WeakPolarHBondContact O-CB 3.3Å; S344-S348 PolarHBondContact O-OG 3.02Å; S348-E351 PolarHBondContact O-N 3.48Å; S348-A352 WeakPolarHBondContact O-CB 3.31Å; S348-A352 PolarHBondContact O-N 2.92Å
349	G	91.5	Very high	92.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-38.3	176.6	0	0	0	0	0	112.9	H345 Q347 L353	H345-G349 PolarHBondContact O-N 2.99Å; Q347-G349 VanDerWaalsContact C-N 3.29Å; Q347-G349 PolarHBondContact O-N 3.32Å; G349-L353 VanDerWaalsContact O-CB 3.26Å; G349-L353 WeakPolarHBondContact O-CB 3.42Å; G349-L353 PolarHBondContact O-N 2.91Å
350	S	93.8	Very high	92.5	Very high	2 Å²	2	32 Å²	32	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-70	-38.1	176.9	-58.9	0	0	0	0	112	L346 Q347 L353 L354 F390	L346-S350 VanDerWaalsContact O-CB 3.31Å; L346-S350 WeakPolarHBondContact O-CB 3.27Å; L346-S350 PolarHBondContact O-N 3.27Å; L346-S350 PolarHBondContact O-OG 3.34Å; Q347-S350 PolarHBondContact O-N 3.29Å; S350-L353 PolarHBondContact O-N 2.9Å; S350-L354 WeakPolarHBondContact O-CB 3.48Å; S350-L354 PolarHBondContact O-N 3.35Å; S350-F390 WeakPolarHBondContact OG-CD1 3.29Å; S350-F390 WeakPolarHBondContact OG-CE1 3.47Å
351	E	92.3	Very high	92.6	Very high	100 Å²	100	30.4 Å²	30.4	47%	0.467	16%	0.155	S	C	.	.	H	α-helix	trans	-66.7	-45.4	175.6	-72	171.1	-171.4	0	0	111.4	Q347 S348 L353 L354 Y355	Q347-E351 WeakPolarHBondContact O-CG 3.38Å; Q347-E351 PolarHBondContact O-N 2.92Å; S348-E351 PolarHBondContact O-N 3.48Å; E351-L353 VanDerWaalsContact C-N 3.31Å; E351-L353 PolarHBondContact O-N 3.23Å; E351-L354 PolarHBondContact O-N 2.89Å; E351-Y355 PolarHBondContact O-N 3.27Å
352	A	91.3	Very high	92.7	Very high	9 Å²	9	31.6 Å²	31.6	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-42.6	172.9	0	0	0	0	0	111.3	L132 L255 S348 Y355 Q356	L132-A352 HydrophobicContact CD1-CB 4.1Å; L255-A352 HydrophobicContact CD1-CB 4.09Å; L255-A352 HydrophobicContact CD2-CB 3.88Å; S348-A352 WeakPolarHBondContact O-CB 3.31Å; S348-A352 PolarHBondContact O-N 2.92Å; A352-Y355 WeakPolarHBondContact O-CB 3.32Å; A352-Y355 PolarHBondContact O-N 2.73Å; A352-Q356 WeakPolarHBondContact O-CG 3.24Å; A352-Q356 PolarHBondContact O-N 2.88Å
353	L	94.1	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-43.6	177.2	179.2	60.7	0	0	0	111.8	I252 L255 L256 L259 G349 S350 E351 Y355 Q356 L357 V387 M523 I527	I252-L353 HydrophobicContact CB-CD1 4.21Å; I252-L353 HydrophobicContact CG1-CD1 4.06Å; I252-L353 HydrophobicContact CG2-CD1 3.79Å; L255-L353 HydrophobicContact CB-CB 4.46Å; L255-L353 HydrophobicContact CB-CD1 4.39Å; L255-L353 HydrophobicContact CD1-CB 4.26Å; L256-L353 HydrophobicContact CD2-CD2 3.94Å; L259-L353 HydrophobicContact CD1-CD2 3.89Å; G349-L353 VanDerWaalsContact O-CB 3.26Å; G349-L353 WeakPolarHBondContact O-CB 3.42Å; G349-L353 PolarHBondContact O-N 2.91Å; S350-L353 PolarHBondContact O-N 2.9Å; E351-L353 VanDerWaalsContact C-N 3.31Å; E351-L353 PolarHBondContact O-N 3.23Å; L353-Y355 VanDerWaalsContact C-N 3.34Å; L353-Y355 PolarHBondContact O-N 2.93Å; L353-Q356 PolarHBondContact O-N 3.47Å; L353-L357 HydrophobicContact CD1-CD1 4.29Å; L353-L357 HydrophobicContact CD1-CG 4.4Å; L353-L357 HydrophobicContact CG-CD1 4.18Å; L353-L357 WeakPolarHBondContact O-CB 3.49Å; L353-L357 WeakPolarHBondContact O-CG 3.36Å; L353-L357 PolarHBondContact O-N 3.16Å; L353-V387 HydrophobicContact CD2-CG1 4.22Å; L353-V387 HydrophobicContact CD2-CG2 3.63Å; L353-V387 HydrophobicContact CG-CG1 4.33Å; L353-V387 HydrophobicContact CG-CG2 3.97Å; L353-M523 HydrophobicContact CD2-CE 4.5Å; L353-M523 HydrophobicContact CD2-SD 4.25Å; L353-I527 HydrophobicContact CD2-CD1 4.03Å
354	L	94.2	Very high	92.8	Very high	58 Å²	58	29 Å²	29	30%	0.304	16%	0.157	S	C	.	.	H	α-helix	trans	-61.9	-41.6	176	-175.5	64	0	0	0	111.7	S350 E351 L357 S358 I384 V387	S350-L354 WeakPolarHBondContact O-CB 3.48Å; S350-L354 PolarHBondContact O-N 3.35Å; E351-L354 PolarHBondContact O-N 2.89Å; L354-L357 PolarHBondContact O-N 2.89Å; L354-S358 WeakPolarHBondContact O-CB 3.43Å; L354-S358 PolarHBondContact O-N 3.19Å; L354-I384 HydrophobicContact CD1-CB 4.44Å; L354-I384 HydrophobicContact CD1-CG2 3.77Å; L354-V387 HydrophobicContact CB-CG1 4.16Å
355	Y	93.4	Very high	93	Very high	55 Å²	55	30.9 Å²	30.9	22%	0.216	16%	0.163	C	C	.	.	H	α-helix	trans	-59.7	-51.7	174.8	175	-87	0	0	0	111.3	S128 L132 E351 A352 L353 L357 S358 E359	S128-Y355 VanDerWaalsContact CB-CE1 3.42Å; L132-Y355 HydrophobicContact CD1-CD1 3.75Å; L132-Y355 HydrophobicContact CD1-CE1 4.33Å; L132-Y355 HydrophobicContact CD1-CG 4.01Å; L132-Y355 HydrophobicContact CD2-CD2 4.31Å; L132-Y355 HydrophobicContact CD2-CG 4.07Å; L132-Y355 HydrophobicContact CG-CD1 4.41Å; L132-Y355 HydrophobicContact CG-CG 4.32Å; E351-Y355 PolarHBondContact O-N 3.27Å; A352-Y355 WeakPolarHBondContact O-CB 3.32Å; A352-Y355 PolarHBondContact O-N 2.73Å; L353-Y355 VanDerWaalsContact C-N 3.34Å; L353-Y355 PolarHBondContact O-N 2.93Å; Y355-L357 VanDerWaalsContact C-N 3.34Å; Y355-L357 PolarHBondContact O-N 2.94Å; Y355-S358 WeakPolarHBondContact O-CB 3.22Å; Y355-S358 PolarHBondContact O-N 3.49Å; Y355-S358 VanDerWaalsContact O-N 3.08Å; Y355-S358 PolarHBondContact O-OG 2.97Å; Y355-E359 HydrophobicContact CE1-CG 4.29Å; Y355-E359 WeakPolarHBondContact CE1-OE2 3.24Å; Y355-E359 PolarHBondContact O-N 2.95Å; Y355-E359 VanDerWaalsContact O-N 3.15Å
356	Q	92.2	Very high	93.1	Very high	6 Å²	6	38 Å²	38	3%	0.028	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-41.7	-179.4	-61.4	-60.5	-31.8	0	0	111.5	H251 I252 L255 A352 L353 S358 E359 V360	H251-Q356 HydrophobicContact CB-CG 4.37Å; I252-Q356 HydrophobicContact CD1-CB 4.35Å; I252-Q356 HydrophobicContact CG1-CB 3.89Å; L255-Q356 HydrophobicContact CD1-CG 4Å; A352-Q356 WeakPolarHBondContact O-CG 3.24Å; A352-Q356 PolarHBondContact O-N 2.88Å; L353-Q356 PolarHBondContact O-N 3.47Å; Q356-S358 VanDerWaalsContact C-N 3.3Å; Q356-S358 PolarHBondContact O-N 3.33Å; Q356-E359 PolarHBondContact O-N 3.19Å; Q356-E359 PolarHBondContact OE1-OE2 3.07Å; Q356-V360 WeakPolarHBondContact O-CG2 3.41Å; Q356-V360 PolarHBondContact O-N 2.89Å
357	L	94.7	Very high	93.1	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-34.6	175.1	-74.4	171.7	0	0	0	112.6	I252 L353 L354 Y355 E359 V360 R361 A383 I384 V387 I527	I252-L357 HydrophobicContact CD1-CD2 3.79Å; I252-L357 HydrophobicContact CD1-CG 4.27Å; L353-L357 HydrophobicContact CD1-CD1 4.29Å; L353-L357 HydrophobicContact CD1-CG 4.4Å; L353-L357 HydrophobicContact CG-CD1 4.18Å; L353-L357 WeakPolarHBondContact O-CB 3.49Å; L353-L357 WeakPolarHBondContact O-CG 3.36Å; L353-L357 PolarHBondContact O-N 3.16Å; L354-L357 PolarHBondContact O-N 2.89Å; Y355-L357 VanDerWaalsContact C-N 3.34Å; Y355-L357 PolarHBondContact O-N 2.94Å; L357-E359 VanDerWaalsContact C-N 3.34Å; L357-V360 PolarHBondContact O-N 3.47Å; L357-R361 WeakPolarHBondContact O-CB 3.4Å; L357-R361 PolarHBondContact O-N 3.37Å; L357-A383 HydrophobicContact CD1-CB 4.28Å; L357-A383 HydrophobicContact CD2-CB 4.29Å; L357-I384 HydrophobicContact CB-CD1 4.41Å; L357-I384 HydrophobicContact CB-CG1 3.74Å; L357-I384 HydrophobicContact CD1-CG1 4.45Å; L357-V387 HydrophobicContact CD1-CG2 3.65Å; L357-I527 HydrophobicContact CD1-CD1 4.46Å
358	S	93.3	Very high	93.1	Very high	58 Å²	58	51.6 Å²	51.6	41%	0.406	25%	0.25	S	S	.	.	H	α-helix	trans	-66.1	-36.1	176.8	80	0	0	0	0	112.6	L354 Y355 Q356 R361 G362	L354-S358 WeakPolarHBondContact O-CB 3.43Å; L354-S358 PolarHBondContact O-N 3.19Å; Y355-S358 WeakPolarHBondContact O-CB 3.22Å; Y355-S358 PolarHBondContact O-N 3.49Å; Y355-S358 VanDerWaalsContact O-N 3.08Å; Y355-S358 PolarHBondContact O-OG 2.97Å; Q356-S358 VanDerWaalsContact C-N 3.3Å; Q356-S358 PolarHBondContact O-N 3.33Å; S358-R361 WeakPolarHBondContact O-CB 3.5Å; S358-R361 PolarHBondContact O-N 2.92Å; S358-G362 PolarHBondContact O-N 3.43Å
359	E	91.8	Very high	93	Very high	53 Å²	53	55 Å²	55	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-68.7	-42.9	172.5	-71.6	-170.9	92	0	0	111.5	K248 Y355 Q356 L357 R361 G362 M363	K248-E359 WeakPolarHBondContact CE-OE2 3.23Å; K248-E359 IonicContact NZ-OE1 2.86Å; K248-E359 PolarHBondContact NZ-OE1 2.96Å; K248-E359 IonicContact NZ-OE2 3.02Å; K248-E359 PolarHBondContact NZ-OE2 3.36Å; Y355-E359 HydrophobicContact CE1-CG 4.29Å; Y355-E359 WeakPolarHBondContact CE1-OE2 3.24Å; Y355-E359 PolarHBondContact O-N 2.95Å; Y355-E359 VanDerWaalsContact O-N 3.15Å; Q356-E359 PolarHBondContact O-N 3.19Å; Q356-E359 PolarHBondContact OE1-OE2 3.07Å; L357-E359 VanDerWaalsContact C-N 3.34Å; E359-R361 VanDerWaalsContact C-N 3.26Å; E359-R361 PolarHBondContact O-N 3.41Å; E359-G362 WeakPolarHBondContact O-CA 3.12Å; E359-G362 PolarHBondContact O-N 3.39Å; E359-M363 HydrophobicContact CB-CE 4.21Å; E359-M363 WeakPolarHBondContact O-CG 3.36Å; E359-M363 PolarHBondContact O-N 3.05Å
360	V	93.7	Very high	93	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-35.5	176	176.6	0	0	0	0	111.1	K248 F249 I252 Q356 L357 M363 S364 L375 I380	K248-V360 HydrophobicContact CB-CG2 3.71Å; K248-V360 HydrophobicContact CG-CG2 4.35Å; F249-V360 HydrophobicContact CE1-CG1 3.83Å; F249-V360 HydrophobicContact CE1-CG2 4.4Å; F249-V360 HydrophobicContact CZ-CG1 4.15Å; I252-V360 HydrophobicContact CD1-CG2 3.99Å; Q356-V360 WeakPolarHBondContact O-CG2 3.41Å; Q356-V360 PolarHBondContact O-N 2.89Å; L357-V360 PolarHBondContact O-N 3.47Å; V360-M363 WeakPolarHBondContact O-CB 3.29Å; V360-M363 PolarHBondContact O-N 2.9Å; V360-M363 VanDerWaalsContact O-N 3.17Å; V360-S364 PolarHBondContact O-N 3.28Å; V360-L375 HydrophobicContact CG1-CD2 3.84Å; V360-I380 HydrophobicContact CG1-CD1 3.75Å; V360-I380 HydrophobicContact CG1-CG1 4.28Å
361	R	94.7	Very high	92.9	Very high	98 Å²	98	61.4 Å²	61.4	37%	0.37	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-43.3	169.6	-176.3	-170.3	-175.2	-98.3	-6.4	111.7	L357 S358 E359 M363 S364 L365 I380 D381 I384	L357-R361 WeakPolarHBondContact O-CB 3.4Å; L357-R361 PolarHBondContact O-N 3.37Å; S358-R361 WeakPolarHBondContact O-CB 3.5Å; S358-R361 PolarHBondContact O-N 2.92Å; E359-R361 VanDerWaalsContact C-N 3.26Å; E359-R361 PolarHBondContact O-N 3.41Å; R361-M363 PolarHBondContact O-N 2.98Å; R361-S364 WeakPolarHBondContact CA-OG 3.2Å; R361-S364 PolarHBondContact O-N 2.96Å; R361-S364 PolarHBondContact O-OG 3.39Å; R361-L365 VanDerWaalsContact O-CG 3.31Å; R361-L365 WeakPolarHBondContact O-CG 3.39Å; R361-L365 PolarHBondContact O-N 3.08Å; R361-L365 VanDerWaalsContact O-N 3.13Å; R361-I380 HydrophobicContact CB-CG2 3.83Å; R361-D381 VanDerWaalsContact CD-OD1 3.28Å; R361-D381 WeakPolarHBondContact CD-OD1 3.02Å; R361-D381 IonicContact CZ-OD1 2.64Å; R361-D381 IonicContact NE-OD1 3.71Å; R361-D381 PolarHBondContact NE-OD1 3.17Å; R361-D381 IonicContact NE-OD2 2.72Å; R361-D381 IonicContact NH2-OD1 2.82Å; R361-D381 IonicContact NH2-OD2 3.58Å; R361-I384 HydrophobicContact CB-CD1 3.92Å; R361-I384 HydrophobicContact CG-CD1 4.27Å
362	G	93.3	Very high	92.9	Very high	35 Å²	35	65 Å²	65	36%	0.361	30%	0.302	S	S	.	.	H	α-helix	trans	-56.5	-39.6	172.7	0	0	0	0	0	112.4	S358 E359	S358-G362 PolarHBondContact O-N 3.43Å; E359-G362 WeakPolarHBondContact O-CA 3.12Å; E359-G362 PolarHBondContact O-N 3.39Å
363	M	92.9	Very high	92.9	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.059	30%	0.298	C	S	.	.	H	α-helix	trans	-68.7	-44.8	176	-60.2	179	-147.7	0	0	112.3	K244 K248 E359 V360 R361 L365 W366 F370 L375	K244-M363 HydrophobicContact CD-CE 3.91Å; K244-M363 HydrophobicContact CD-SD 4.07Å; K244-M363 VanDerWaalsContact CE-CE 3.49Å; K244-M363 HydrophobicContact CG-CE 3.88Å; K244-M363 HydrophobicContact CG-SD 3.99Å; K248-M363 HydrophobicContact CD-CE 4.45Å; K248-M363 HydrophobicContact CG-CE 3.73Å; E359-M363 HydrophobicContact CB-CE 4.21Å; E359-M363 WeakPolarHBondContact O-CG 3.36Å; E359-M363 PolarHBondContact O-N 3.05Å; V360-M363 WeakPolarHBondContact O-CB 3.29Å; V360-M363 PolarHBondContact O-N 2.9Å; V360-M363 VanDerWaalsContact O-N 3.17Å; R361-M363 PolarHBondContact O-N 2.98Å; M363-L365 VanDerWaalsContact C-N 3.27Å; M363-L365 PolarHBondContact O-N 3.03Å; M363-W366 WeakPolarHBondContact O-CB 3.48Å; M363-W366 PolarHBondContact O-N 3.14Å; M363-F370 HydrophobicContact CB-CD1 4.27Å; M363-F370 HydrophobicContact CB-CD2 3.97Å; M363-F370 HydrophobicContact CB-CE1 4.12Å; M363-F370 HydrophobicContact CB-CE2 3.8Å; M363-F370 HydrophobicContact CB-CG 4.2Å; M363-F370 HydrophobicContact CB-CZ 3.88Å; M363-F370 HydrophobicContact CG-CE1 4.48Å; M363-F370 HydrophobicContact CG-CE2 4.19Å; M363-F370 HydrophobicContact CG-CZ 4.01Å; M363-F370 WeakPolarHBondContact O-CD2 3.42Å; M363-F370 HydrophobicContact SD-CE1 4.3Å; M363-F370 HydrophobicContact SD-CZ 4.16Å; M363-L375 HydrophobicContact CB-CD2 4.28Å
364	S	94.6	Very high	92.8	Very high	5 Å²	5	65 Å²	65	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-28.8	-178.5	68.5	0	0	0	0	113.4	V360 R361 W366 I380	V360-S364 PolarHBondContact O-N 3.28Å; R361-S364 WeakPolarHBondContact CA-OG 3.2Å; R361-S364 PolarHBondContact O-N 2.96Å; R361-S364 PolarHBondContact O-OG 3.39Å; S364-W366 PolarHBondContact O-N 3.37Å; S364-I380 VanDerWaalsContact CB-CD1 3.4Å
365	L	94.4	Very high	92.8	Very high	87 Å²	87	63 Å²	63	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.5	173.3	-69	172.5	0	0	0	112.7	R361 M363 K367	R361-L365 VanDerWaalsContact O-CG 3.31Å; R361-L365 WeakPolarHBondContact O-CG 3.39Å; R361-L365 PolarHBondContact O-N 3.08Å; R361-L365 VanDerWaalsContact O-N 3.13Å; M363-L365 VanDerWaalsContact C-N 3.27Å; M363-L365 PolarHBondContact O-N 3.03Å; L365-K367 VanDerWaalsContact C-N 3.26Å; L365-K367 PolarHBondContact O-N 2.9Å
366	W	94.5	Very high	92.7	Very high	168 Å²	168	62.7 Å²	62.7	64%	0.636	29%	0.294	S	S	*	.			trans	-84.6	68.1	175.8	-75	38.8	0	0	0	111	M363 S364 Q368 K369 F370	M363-W366 WeakPolarHBondContact O-CB 3.48Å; M363-W366 PolarHBondContact O-N 3.14Å; S364-W366 PolarHBondContact O-N 3.37Å; W366-Q368 VanDerWaalsContact C-N 3.29Å; W366-Q368 PolarHBondContact O-N 3.44Å; W366-Q368 VanDerWaalsContact O-N 3.16Å; W366-K369 HydrophobicContact CE3-CD 4.1Å; W366-K369 PolarHBondContact O-N 3.26Å; W366-F370 HydrophobicContact CB-CD2 4.14Å; W366-F370 PolarHBondContact O-N 2.7Å; W366-F370 VanDerWaalsContact O-N 3.11Å
367	K	91.8	Very high	92.7	Very high	126 Å²	126	63.4 Å²	63.4	55%	0.548	30%	0.3	S	S	.	.	H	α-helix	trans	-51.3	-42.7	-173.4	-62.8	-170	177.3	-169.7	0	113.8	L365 K369 F370 E371	L365-K367 VanDerWaalsContact C-N 3.26Å; L365-K367 PolarHBondContact O-N 2.9Å; K367-K369 PolarHBondContact O-N 3.03Å; K367-F370 PolarHBondContact O-N 3.05Å; K367-E371 HydrophobicContact CB-CB 4.28Å; K367-E371 WeakPolarHBondContact O-CB 3.36Å; K367-E371 PolarHBondContact O-N 2.78Å
368	Q	90.9	Very high	92.6	Very high	185 Å²	185	69.3 Å²	69.3	86%	0.864	33%	0.331	S	S	*	.	H	α-helix	trans	-54.5	-29.8	-179.4	-67.1	-179.9	-6.8	0	0	114.2	W366	W366-Q368 VanDerWaalsContact C-N 3.29Å; W366-Q368 PolarHBondContact O-N 3.44Å; W366-Q368 VanDerWaalsContact O-N 3.16Å
369	K	89.3	Confident	92.6	Very high	92 Å²	92	68 Å²	68	40%	0.4	32%	0.323	S	S	.	.	H	α-helix	trans	-99	-50.4	-179	-74.4	-170.2	169.1	-132	0	112.6	E241 W366 K367	E241-K369 HydrophobicContact CG-CB 3.97Å; E241-K369 HydrophobicContact CG-CD 4.2Å; E241-K369 HydrophobicContact CG-CG 4.42Å; E241-K369 VanDerWaalsContact OE1-CD 3.32Å; E241-K369 WeakPolarHBondContact OE1-CD 3.48Å; E241-K369 WeakPolarHBondContact OE1-CE 3.46Å; E241-K369 IonicContact OE1-NZ 2.8Å; E241-K369 PolarHBondContact OE1-NZ 3.18Å; W366-K369 HydrophobicContact CE3-CD 4.1Å; W366-K369 PolarHBondContact O-N 3.26Å; K367-K369 PolarHBondContact O-N 3.03Å
370	F	92.6	Very high	92.7	Very high	13 Å²	13	65.7 Å²	65.7	6%	0.057	31%	0.313	C	S	.	.	H	α-helix	trans	-98.4	-13.9	-166.6	-69.9	-82.6	0	0	0	114.6	E241 M245 M363 W366 K367 R372 L373 G374 L375	E241-F370 HydrophobicContact CB-CD1 4.25Å; E241-F370 HydrophobicContact CB-CE1 3.71Å; E241-F370 HydrophobicContact CB-CZ 4.01Å; E241-F370 HydrophobicContact CG-CE1 4.12Å; E241-F370 HydrophobicContact CG-CE2 4.31Å; E241-F370 HydrophobicContact CG-CZ 3.95Å; M245-F370 HydrophobicContact CB-CE1 4.46Å; M363-F370 HydrophobicContact CB-CD1 4.27Å; M363-F370 HydrophobicContact CB-CD2 3.97Å; M363-F370 HydrophobicContact CB-CE1 4.12Å; M363-F370 HydrophobicContact CB-CE2 3.8Å; M363-F370 HydrophobicContact CB-CG 4.2Å; M363-F370 HydrophobicContact CB-CZ 3.88Å; M363-F370 HydrophobicContact CG-CE1 4.48Å; M363-F370 HydrophobicContact CG-CE2 4.19Å; M363-F370 HydrophobicContact CG-CZ 4.01Å; M363-F370 WeakPolarHBondContact O-CD2 3.42Å; M363-F370 HydrophobicContact SD-CE1 4.3Å; M363-F370 HydrophobicContact SD-CZ 4.16Å; W366-F370 HydrophobicContact CB-CD2 4.14Å; W366-F370 PolarHBondContact O-N 2.7Å; W366-F370 VanDerWaalsContact O-N 3.11Å; K367-F370 PolarHBondContact O-N 3.05Å; F370-R372 VanDerWaalsContact C-N 3.29Å; F370-R372 PolarHBondContact O-N 3.37Å; F370-L373 HydrophobicContact CD1-CD1 4.12Å; F370-L373 PolarHBondContact O-N 2.98Å; F370-L373 VanDerWaalsContact O-N 3.11Å; F370-G374 PolarHBondContact O-N 2.92Å; F370-L375 HydrophobicContact CB-CB 4.25Å; F370-L375 HydrophobicContact CB-CD1 4.14Å; F370-L375 HydrophobicContact CD1-CD1 3.92Å; F370-L375 HydrophobicContact CD1-CD2 4.38Å; F370-L375 HydrophobicContact CG-CD1 4.49Å; F370-L375 PolarHBondContact O-N 3.44Å
371	E	90.6	Very high	92.7	Very high	125 Å²	125	67.9 Å²	67.9	58%	0.584	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-63.7	-36.8	177.8	-174.2	172.1	-150.6	0	0	111.5	K367 L373 G374	K367-E371 HydrophobicContact CB-CB 4.28Å; K367-E371 WeakPolarHBondContact O-CB 3.36Å; K367-E371 PolarHBondContact O-N 2.78Å; E371-L373 PolarHBondContact O-N 3.14Å; E371-G374 PolarHBondContact O-N 2.98Å
372	R	91.8	Very high	92.7	Very high	175 Å²	175	64.7 Å²	64.7	66%	0.66	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65.2	-24.3	175.8	-65.3	-173.8	179.9	161.2	0.7	113.5	L234 F370 G374 V537	L234-R372 HydrophobicContact CD1-CB 4.39Å; F370-R372 VanDerWaalsContact C-N 3.29Å; F370-R372 PolarHBondContact O-N 3.37Å; R372-G374 VanDerWaalsContact C-N 3.34Å; R372-V537 WeakPolarHBondContact O-CG1 3.16Å
373	L	93.3	Very high	92.8	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-88.8	-3.8	176.3	-59.9	179.2	0	0	0	112.4	L234 C238 E241 V242 M245 F370 E371 L375 P534 I538	L234-L373 HydrophobicContact CD2-CD2 4.46Å; L234-L373 HydrophobicContact CG-CD2 4.39Å; C238-L373 HydrophobicContact CB-CD1 4.41Å; C238-L373 HydrophobicContact CB-CD2 3.99Å; C238-L373 HydrophobicContact CB-CG 4.48Å; E241-L373 HydrophobicContact CB-CD1 3.71Å; V242-L373 HydrophobicContact CG2-CD1 3.88Å; V242-L373 HydrophobicContact CG2-CD2 3.63Å; V242-L373 HydrophobicContact CG2-CG 4.43Å; M245-L373 HydrophobicContact SD-CB 4.27Å; M245-L373 HydrophobicContact SD-CD1 4.34Å; F370-L373 HydrophobicContact CD1-CD1 4.12Å; F370-L373 PolarHBondContact O-N 2.98Å; F370-L373 VanDerWaalsContact O-N 3.11Å; E371-L373 PolarHBondContact O-N 3.14Å; L373-L375 HydrophobicContact CB-CD1 4.18Å; L373-P534 VanDerWaalsContact O-CA 3.25Å; L373-P534 WeakPolarHBondContact O-CA 3.41Å; L373-P534 WeakPolarHBondContact O-CB 3.14Å; L373-I538 HydrophobicContact CD2-CD1 4.21Å; L373-I538 HydrophobicContact CD2-CG1 4.31Å
374	G	91.9	Very high	93	Very high	8 Å²	8	63.7 Å²	63.7	8%	0.082	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	14.1	176.6	0	0	0	0	0	115.6	F370 E371 R372 D376 K533	F370-G374 PolarHBondContact O-N 2.92Å; E371-G374 PolarHBondContact O-N 2.98Å; R372-G374 VanDerWaalsContact C-N 3.34Å; G374-D376 PolarHBondContact O-N 2.8Å; G374-K533 WeakPolarHBondContact O-CG 3.49Å
375	L	92.9	Very high	93	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.084	32%	0.317	C	S	.	.			trans	-67.1	121.8	171.8	-86	86.8	0	0	0	110.6	M245 V360 M363 F370 L373 I380	M245-L375 HydrophobicContact CG-CD1 3.97Å; M245-L375 HydrophobicContact SD-CD1 3.27Å; M245-L375 WeakPolarHBondContact SD-CD1 3.5Å; M245-L375 HydrophobicContact SD-CG 4.46Å; V360-L375 HydrophobicContact CG1-CD2 3.84Å; M363-L375 HydrophobicContact CB-CD2 4.28Å; F370-L375 HydrophobicContact CB-CB 4.25Å; F370-L375 HydrophobicContact CB-CD1 4.14Å; F370-L375 HydrophobicContact CD1-CD1 3.92Å; F370-L375 HydrophobicContact CD1-CD2 4.38Å; F370-L375 HydrophobicContact CG-CD1 4.49Å; F370-L375 PolarHBondContact O-N 3.44Å; L373-L375 HydrophobicContact CB-CD1 4.18Å; L375-I380 HydrophobicContact CD2-CD1 4.17Å
376	D	91.8	Very high	93	Very high	50 Å²	50	61.4 Å²	61.4	27%	0.267	30%	0.299	S	S	.	.			trans	-104.3	116.3	179.4	-172.3	-6.9	0	0	0	111.1	G374 D378 A379 I380 K533	G374-D376 PolarHBondContact O-N 2.8Å; D376-D378 VanDerWaalsContact C-N 3.33Å; D376-D378 PolarHBondContact O-N 3.26Å; D376-D378 PolarHBondContact OD1-N 2.95Å; D376-D378 VanDerWaalsContact OD1-N 3.14Å; D376-A379 HydrophobicContact CB-CB 3.83Å; D376-A379 PolarHBondContact O-N 3.39Å; D376-I380 WeakPolarHBondContact O-CD1 3.44Å; D376-I380 VanDerWaalsContact O-CG1 3.3Å; D376-I380 WeakPolarHBondContact O-CG1 3.34Å; D376-I380 PolarHBondContact O-N 3.45Å; D376-I380 VanDerWaalsContact O-N 3.12Å; D376-K533 HydrophobicContact CB-CD 4Å; D376-K533 IonicContact OD2-NZ 2.99Å; D376-K533 PolarHBondContact OD2-NZ 2.86Å
377	S	92.6	Very high	93.1	Very high	21 Å²	21	53.5 Å²	53.5	15%	0.147	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-41.7	-179.5	-171.4	0	0	0	0	112.2	A379 I380 D381	S377-A379 VanDerWaalsContact C-N 3.35Å; S377-I380 PolarHBondContact O-N 3.45Å; S377-D381 PolarHBondContact O-N 2.85Å
378	D	91.7	Very high	93.3	Very high	127 Å²	127	47.6 Å²	47.6	68%	0.679	24%	0.244	S	C	*	.	H	α-helix	trans	-71.4	-36	-175.1	-64.6	-27.7	0	0	0	110.7	D376 D381 G382	D376-D378 VanDerWaalsContact C-N 3.33Å; D376-D378 PolarHBondContact O-N 3.26Å; D376-D378 PolarHBondContact OD1-N 2.95Å; D376-D378 VanDerWaalsContact OD1-N 3.14Å; D378-D381 PolarHBondContact O-N 2.78Å; D378-G382 PolarHBondContact O-N 3.29Å
379	A	92.9	Very high	93.5	Very high	30 Å²	30	39 Å²	39	25%	0.248	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-42.9	175.2	0	0	0	0	0	111.6	D376 S377 G382 A383 C530	D376-A379 HydrophobicContact CB-CB 3.83Å; D376-A379 PolarHBondContact O-N 3.39Å; S377-A379 VanDerWaalsContact C-N 3.35Å; A379-G382 WeakPolarHBondContact O-CA 3.47Å; A379-G382 PolarHBondContact O-N 3.46Å; A379-A383 PolarHBondContact O-N 2.76Å; A379-C530 PolarHBondContact O-SG 2.87Å
380	I	94.8	Very high	93.8	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-39.7	177.1	-65	157.3	0	0	0	111.1	V360 R361 S364 L375 D376 S377 G382 A383 I384	V360-I380 HydrophobicContact CG1-CD1 3.75Å; V360-I380 HydrophobicContact CG1-CG1 4.28Å; R361-I380 HydrophobicContact CB-CG2 3.83Å; S364-I380 VanDerWaalsContact CB-CD1 3.4Å; L375-I380 HydrophobicContact CD2-CD1 4.17Å; D376-I380 WeakPolarHBondContact O-CD1 3.44Å; D376-I380 VanDerWaalsContact O-CG1 3.3Å; D376-I380 WeakPolarHBondContact O-CG1 3.34Å; D376-I380 PolarHBondContact O-N 3.45Å; D376-I380 VanDerWaalsContact O-N 3.12Å; S377-I380 PolarHBondContact O-N 3.45Å; I380-G382 VanDerWaalsContact C-N 3.28Å; I380-G382 PolarHBondContact O-N 3.2Å; I380-A383 WeakPolarHBondContact O-CB 3.48Å; I380-A383 PolarHBondContact O-N 2.87Å; I380-A383 VanDerWaalsContact O-N 3.13Å; I380-I384 HydrophobicContact CG2-CD1 4.08Å; I380-I384 WeakPolarHBondContact O-CG1 3.32Å; I380-I384 PolarHBondContact O-N 3.02Å
381	D	94.2	Very high	93.9	Very high	48 Å²	48	35.3 Å²	35.3	26%	0.257	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-38.7	173.3	-78.3	-24.4	0	0	0	111.3	R361 S377 D378 T385	R361-D381 VanDerWaalsContact CD-OD1 3.28Å; R361-D381 WeakPolarHBondContact CD-OD1 3.02Å; R361-D381 IonicContact CZ-OD1 2.64Å; R361-D381 IonicContact NE-OD1 3.71Å; R361-D381 PolarHBondContact NE-OD1 3.17Å; R361-D381 IonicContact NE-OD2 2.72Å; R361-D381 IonicContact NH2-OD1 2.82Å; R361-D381 IonicContact NH2-OD2 3.58Å; S377-D381 PolarHBondContact O-N 2.85Å; D378-D381 PolarHBondContact O-N 2.78Å; D381-T385 WeakPolarHBondContact O-CB 3.28Å; D381-T385 PolarHBondContact O-N 2.91Å; D381-T385 PolarHBondContact O-OG1 3.11Å
382	G	94.1	Very high	94.1	Very high	31 Å²	31	33.3 Å²	33.3	32%	0.32	19%	0.185	S	C	.	.	H	α-helix	trans	-61.1	-42.9	170.5	0	0	0	0	0	113.2	D378 A379 I380 T385 A386	D378-G382 PolarHBondContact O-N 3.29Å; A379-G382 WeakPolarHBondContact O-CA 3.47Å; A379-G382 PolarHBondContact O-N 3.46Å; I380-G382 VanDerWaalsContact C-N 3.28Å; I380-G382 PolarHBondContact O-N 3.2Å; G382-T385 WeakPolarHBondContact O-CB 3.46Å; G382-T385 PolarHBondContact O-N 3.45Å; G382-A386 PolarHBondContact O-N 2.9Å
383	A	95.7	Very high	94.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-46	176.8	0	0	0	0	0	112.2	L357 A379 I380 T385 A386 V387 V526 I527	L357-A383 HydrophobicContact CD1-CB 4.28Å; L357-A383 HydrophobicContact CD2-CB 4.29Å; A379-A383 PolarHBondContact O-N 2.76Å; I380-A383 WeakPolarHBondContact O-CB 3.48Å; I380-A383 PolarHBondContact O-N 2.87Å; I380-A383 VanDerWaalsContact O-N 3.13Å; A383-T385 VanDerWaalsContact C-N 3.27Å; A383-T385 PolarHBondContact O-N 3.46Å; A383-A386 PolarHBondContact O-N 2.81Å; A383-A386 VanDerWaalsContact O-N 3.17Å; A383-V387 WeakPolarHBondContact O-CG2 3.44Å; A383-V387 PolarHBondContact O-N 2.82Å; A383-V526 HydrophobicContact CB-CG1 4.09Å; A383-I527 HydrophobicContact CB-CG1 3.88Å
384	I	96.1	Very high	94.3	Very high	25 Å²	25	25.2 Å²	25.2	13%	0.128	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-45.2	174.8	-74.1	169.3	0	0	0	110.5	L354 L357 R361 I380 A386 V387 G388	L354-I384 HydrophobicContact CD1-CB 4.44Å; L354-I384 HydrophobicContact CD1-CG2 3.77Å; L357-I384 HydrophobicContact CB-CD1 4.41Å; L357-I384 HydrophobicContact CB-CG1 3.74Å; L357-I384 HydrophobicContact CD1-CG1 4.45Å; R361-I384 HydrophobicContact CB-CD1 3.92Å; R361-I384 HydrophobicContact CG-CD1 4.27Å; I380-I384 HydrophobicContact CG2-CD1 4.08Å; I380-I384 WeakPolarHBondContact O-CG1 3.32Å; I380-I384 PolarHBondContact O-N 3.02Å; I384-A386 PolarHBondContact O-N 3.49Å; I384-V387 PolarHBondContact O-N 3.19Å; I384-G388 PolarHBondContact O-N 3.32Å
385	T	95.1	Very high	94.3	Very high	35 Å²	35	27.7 Å²	27.7	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-42.9	178.4	-58.9	0	0	0	0	111.5	D381 G382 A383 G388 S389 P509	D381-T385 WeakPolarHBondContact O-CB 3.28Å; D381-T385 PolarHBondContact O-N 2.91Å; D381-T385 PolarHBondContact O-OG1 3.11Å; G382-T385 WeakPolarHBondContact O-CB 3.46Å; G382-T385 PolarHBondContact O-N 3.45Å; A383-T385 VanDerWaalsContact C-N 3.27Å; A383-T385 PolarHBondContact O-N 3.46Å; T385-G388 PolarHBondContact O-N 3.03Å; T385-S389 PolarHBondContact O-N 3.39Å; T385-S389 PolarHBondContact O-OG 3.36Å; T385-P509 HydrophobicContact CG2-CG 3.92Å
386	A	95.6	Very high	94.3	Very high	10 Å²	10	28.8 Å²	28.8	8%	0.083	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-40.5	178.4	0	0	0	0	0	112.8	G382 A383 I384 G388 S389 F390 M523	G382-A386 PolarHBondContact O-N 2.9Å; A383-A386 PolarHBondContact O-N 2.81Å; A383-A386 VanDerWaalsContact O-N 3.17Å; I384-A386 PolarHBondContact O-N 3.49Å; A386-G388 VanDerWaalsContact C-N 3.34Å; A386-S389 WeakPolarHBondContact O-CB 3.25Å; A386-S389 PolarHBondContact O-N 3.26Å; A386-F390 PolarHBondContact O-N 2.85Å; A386-M523 HydrophobicContact CB-CB 4.17Å; A386-M523 HydrophobicContact CB-CG 4.34Å
387	V	96.6	Very high	94.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-41	173.2	175.8	0	0	0	0	110.9	L353 L354 L357 A383 I384 S389 F390 S391 M523 I527	L353-V387 HydrophobicContact CD2-CG1 4.22Å; L353-V387 HydrophobicContact CD2-CG2 3.63Å; L353-V387 HydrophobicContact CG-CG1 4.33Å; L353-V387 HydrophobicContact CG-CG2 3.97Å; L354-V387 HydrophobicContact CB-CG1 4.16Å; L357-V387 HydrophobicContact CD1-CG2 3.65Å; A383-V387 WeakPolarHBondContact O-CG2 3.44Å; A383-V387 PolarHBondContact O-N 2.82Å; I384-V387 PolarHBondContact O-N 3.19Å; V387-S389 PolarHBondContact O-N 3.26Å; V387-F390 WeakPolarHBondContact O-CB 3.36Å; V387-F390 PolarHBondContact O-N 3.26Å; V387-S391 PolarHBondContact O-N 3.33Å; V387-M523 HydrophobicContact CB-SD 4.31Å; V387-M523 HydrophobicContact CG2-CG 3.81Å; V387-M523 HydrophobicContact CG2-SD 3.76Å; V387-I527 HydrophobicContact CG2-CD1 3.88Å
388	G	95.6	Very high	94.4	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-45.4	173.5	0	0	0	0	0	112.6	I384 T385 A386 F390 S391 L392	I384-G388 PolarHBondContact O-N 3.32Å; T385-G388 PolarHBondContact O-N 3.03Å; A386-G388 VanDerWaalsContact C-N 3.34Å; G388-F390 VanDerWaalsContact C-N 3.35Å; G388-F390 PolarHBondContact O-N 3.32Å; G388-S391 PolarHBondContact O-N 2.94Å; G388-L392 WeakPolarHBondContact O-CG 3.49Å; G388-L392 PolarHBondContact O-N 2.91Å
389	S	94.8	Very high	94.3	Very high	5 Å²	5	27 Å²	27	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-40.2	174.1	-66.8	0	0	0	0	112.8	T385 A386 V387 L392 K393 P509	T385-S389 PolarHBondContact O-N 3.39Å; T385-S389 PolarHBondContact O-OG 3.36Å; A386-S389 WeakPolarHBondContact O-CB 3.25Å; A386-S389 PolarHBondContact O-N 3.26Å; V387-S389 PolarHBondContact O-N 3.26Å; S389-L392 PolarHBondContact O-N 3.41Å; S389-K393 PolarHBondContact O-N 2.97Å; S389-P509 WeakPolarHBondContact CB-O 3.42Å; S389-P509 VanDerWaalsContact OG-CD 3.25Å; S389-P509 WeakPolarHBondContact OG-CD 3.5Å; S389-P509 WeakPolarHBondContact OG-CG 3.42Å; S389-P509 PolarHBondContact OG-O 3.03Å
390	F	95.9	Very high	94.2	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-45.2	175.4	179.2	-107.3	0	0	0	111.8	L259 L346 S350 A386 V387 G388 L392 K393 A394 L516 V519 K520 M523	L259-F390 HydrophobicContact CD1-CE1 4.44Å; L259-F390 HydrophobicContact CD2-CE1 4.42Å; L346-F390 HydrophobicContact CD1-CE1 4.15Å; L346-F390 HydrophobicContact CD1-CZ 3.87Å; L346-F390 HydrophobicContact CD2-CE1 4.36Å; L346-F390 HydrophobicContact CD2-CZ 3.98Å; L346-F390 HydrophobicContact CG-CE1 4.02Å; L346-F390 HydrophobicContact CG-CZ 3.98Å; S350-F390 WeakPolarHBondContact OG-CD1 3.29Å; S350-F390 WeakPolarHBondContact OG-CE1 3.47Å; A386-F390 PolarHBondContact O-N 2.85Å; V387-F390 WeakPolarHBondContact O-CB 3.36Å; V387-F390 PolarHBondContact O-N 3.26Å; G388-F390 VanDerWaalsContact C-N 3.35Å; G388-F390 PolarHBondContact O-N 3.32Å; F390-L392 PolarHBondContact O-N 3.35Å; F390-K393 WeakPolarHBondContact O-CB 3.31Å; F390-K393 PolarHBondContact O-N 3.07Å; F390-K393 VanDerWaalsContact O-N 3.08Å; F390-A394 PolarHBondContact O-N 3.03Å; F390-L516 HydrophobicContact CD2-CD1 3.92Å; F390-L516 HydrophobicContact CE2-CD1 3.52Å; F390-L516 HydrophobicContact CE2-CG 3.97Å; F390-L516 HydrophobicContact CZ-CD1 4.29Å; F390-V519 HydrophobicContact CB-CG1 4.02Å; F390-V519 HydrophobicContact CD2-CG1 4.32Å; F390-K520 HydrophobicContact CD2-CB 4.21Å; F390-K520 HydrophobicContact CE2-CB 3.82Å; F390-M523 HydrophobicContact CB-SD 3.74Å; F390-M523 HydrophobicContact CD1-CE 4.29Å; F390-M523 HydrophobicContact CD1-SD 3.87Å; F390-M523 HydrophobicContact CG-CE 4.38Å; F390-M523 HydrophobicContact CG-SD 3.82Å
391	S	95	Very high	93.9	Very high	27 Å²	27	26.3 Å²	26.3	19%	0.189	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-39.5	175.9	-178.8	0	0	0	0	112.5	V387 G388 K393 A394 N395	V387-S391 PolarHBondContact O-N 3.33Å; G388-S391 PolarHBondContact O-N 2.94Å; S391-K393 VanDerWaalsContact C-N 3.32Å; S391-K393 PolarHBondContact O-N 2.91Å; S391-A394 PolarHBondContact O-N 3.41Å; S391-N395 PolarHBondContact O-N 3.11Å; S391-N395 PolarHBondContact O-ND2 3.41Å
392	L	93.8	Very high	93.7	Very high	82 Å²	82	26.6 Å²	26.6	43%	0.429	15%	0.149	S	C	.	.	H	α-helix	trans	-62	-40.2	171.9	-72.2	178.4	0	0	0	111.9	G388 S389 F390 N395 E396 F508	G388-L392 WeakPolarHBondContact O-CG 3.49Å; G388-L392 PolarHBondContact O-N 2.91Å; S389-L392 PolarHBondContact O-N 3.41Å; F390-L392 PolarHBondContact O-N 3.35Å; L392-N395 WeakPolarHBondContact O-CB 3.47Å; L392-N395 PolarHBondContact O-N 3.36Å; L392-E396 PolarHBondContact O-N 3.16Å; L392-F508 HydrophobicContact CD1-CB 3.77Å; L392-F508 HydrophobicContact CD1-CD2 4.3Å
393	K	94.5	Very high	93.2	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-69.8	-36	178.7	-163.6	61.5	169	-177.4	0	112.5	S389 F390 S391 N395 E396 L397 Y472 Y511 K514 L516 V519	S389-K393 PolarHBondContact O-N 2.97Å; F390-K393 WeakPolarHBondContact O-CB 3.31Å; F390-K393 PolarHBondContact O-N 3.07Å; F390-K393 VanDerWaalsContact O-N 3.08Å; S391-K393 VanDerWaalsContact C-N 3.32Å; S391-K393 PolarHBondContact O-N 2.91Å; K393-N395 VanDerWaalsContact C-N 3.34Å; K393-E396 IonicContact NZ-OE1 3.15Å; K393-E396 PolarHBondContact NZ-OE1 3.41Å; K393-E396 WeakPolarHBondContact O-CB 3.33Å; K393-E396 PolarHBondContact O-N 2.76Å; K393-L397 PolarHBondContact O-N 3.37Å; K393-Y472 HydrophobicContact CD-CD1 4.47Å; K393-Y472 HydrophobicContact CD-CE1 4.14Å; K393-Y472 VanDerWaalsContact CE-CE1 3.44Å; K393-Y511 PolarHBondContact NZ-O 3.44Å; K393-K514 WeakPolarHBondContact CE-O 3.29Å; K393-K514 PolarHBondContact NZ-O 2.83Å; K393-L516 HydrophobicContact CB-CD1 3.98Å; K393-L516 HydrophobicContact CG-CD1 3.83Å; K393-V519 HydrophobicContact CG-CG2 4.29Å
394	A	94.2	Very high	92.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-41.1	171.3	0	0	0	0	0	111.8	L346 F390 S391 L397 L398	L346-A394 HydrophobicContact CD2-CB 3.83Å; F390-A394 PolarHBondContact O-N 3.03Å; S391-A394 PolarHBondContact O-N 3.41Å; A394-L397 WeakPolarHBondContact O-CB 3.36Å; A394-L397 PolarHBondContact O-N 3.18Å; A394-L398 PolarHBondContact O-N 2.94Å
395	N	93.6	Very high	92.1	Very high	59 Å²	59	30.3 Å²	30.3	32%	0.316	16%	0.159	S	C	.	.	H	α-helix	trans	-65.3	-39.3	173.7	-82.4	-62.2	0	0	0	112.9	Q347 S391 L392 K393 L398 Q399	Q347-N395 PolarHBondContact NE2-OD1 2.8Å; S391-N395 PolarHBondContact O-N 3.11Å; S391-N395 PolarHBondContact O-ND2 3.41Å; L392-N395 WeakPolarHBondContact O-CB 3.47Å; L392-N395 PolarHBondContact O-N 3.36Å; K393-N395 VanDerWaalsContact C-N 3.34Å; N395-L398 WeakPolarHBondContact O-CB 3.47Å; N395-L398 PolarHBondContact O-N 2.64Å; N395-Q399 WeakPolarHBondContact O-CG 3.46Å; N395-Q399 PolarHBondContact O-N 3.18Å; N395-Q399 VanDerWaalsContact O-N 3.12Å
396	E	92.4	Very high	91.6	Very high	39 Å²	39	35 Å²	35	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-45.1	173.4	-174.5	-179.5	110.3	0	0	111.1	L392 K393 L398 Q399 V400 Y472 P484	L392-E396 PolarHBondContact O-N 3.16Å; K393-E396 IonicContact NZ-OE1 3.15Å; K393-E396 PolarHBondContact NZ-OE1 3.41Å; K393-E396 WeakPolarHBondContact O-CB 3.33Å; K393-E396 PolarHBondContact O-N 2.76Å; E396-L398 VanDerWaalsContact C-N 3.31Å; E396-L398 PolarHBondContact O-N 3.08Å; E396-Q399 WeakPolarHBondContact O-CB 3.22Å; E396-Q399 PolarHBondContact O-N 2.94Å; E396-V400 WeakPolarHBondContact O-CG2 3.49Å; E396-V400 PolarHBondContact O-N 3.11Å; E396-Y472 HydrophobicContact CG-CE1 4.35Å; E396-Y472 WeakPolarHBondContact OE1-CE1 3.46Å; E396-Y472 PolarHBondContact OE1-OH 2.96Å; E396-P484 HydrophobicContact CG-CG 3.92Å; E396-P484 WeakPolarHBondContact OE1-CG 3.26Å
397	L	92.6	Very high	90.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-43.1	174.4	175.4	59.5	0	0	0	111.6	M266 V342 K393 A394 Q399 V400 I401 V469 Y472 L473 L516	M266-L397 HydrophobicContact CE-CD2 3.7Å; V342-L397 HydrophobicContact CG2-CD2 4.19Å; K393-L397 PolarHBondContact O-N 3.37Å; A394-L397 WeakPolarHBondContact O-CB 3.36Å; A394-L397 PolarHBondContact O-N 3.18Å; L397-Q399 VanDerWaalsContact C-N 3.32Å; L397-Q399 PolarHBondContact O-N 3.42Å; L397-V400 PolarHBondContact O-N 3.47Å; L397-V400 VanDerWaalsContact O-N 3.14Å; L397-I401 HydrophobicContact CD1-CD1 4.1Å; L397-I401 HydrophobicContact CD1-CG1 4.19Å; L397-I401 HydrophobicContact CG-CD1 3.85Å; L397-I401 HydrophobicContact CG-CG1 4.42Å; L397-I401 WeakPolarHBondContact O-CG1 3.41Å; L397-I401 PolarHBondContact O-N 3.02Å; L397-V469 HydrophobicContact CD1-CG1 4.16Å; L397-V469 HydrophobicContact CD1-CG2 4.49Å; L397-Y472 HydrophobicContact CB-CD1 4.37Å; L397-Y472 HydrophobicContact CD1-CD1 4.42Å; L397-Y472 HydrophobicContact CD1-CD2 4.07Å; L397-Y472 HydrophobicContact CD1-CG 3.88Å; L397-L473 HydrophobicContact CD2-CD2 4.28Å; L397-L516 HydrophobicContact CD2-CD2 3.75Å
398	L	93.2	Very high	90.2	Very high	24 Å²	24	35.1 Å²	35.1	13%	0.126	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-42.7	176.6	-177.1	60.7	0	0	0	112	Q339 V342 I343 A394 N395 E396 V400 I401 D402	Q339-L398 HydrophobicContact CG-CD1 3.8Å; V342-L398 HydrophobicContact CG1-CB 4.22Å; I343-L398 HydrophobicContact CD1-CD1 3.99Å; I343-L398 HydrophobicContact CD1-CD2 4.24Å; I343-L398 HydrophobicContact CG1-CD1 3.96Å; I343-L398 HydrophobicContact CG1-CD2 3.87Å; A394-L398 PolarHBondContact O-N 2.94Å; N395-L398 WeakPolarHBondContact O-CB 3.47Å; N395-L398 PolarHBondContact O-N 2.64Å; E396-L398 VanDerWaalsContact C-N 3.31Å; E396-L398 PolarHBondContact O-N 3.08Å; L398-V400 VanDerWaalsContact C-N 3.33Å; L398-V400 PolarHBondContact O-N 2.96Å; L398-I401 PolarHBondContact O-N 3.33Å; L398-D402 PolarHBondContact O-N 3.3Å
399	Q	90.9	Very high	89.7	Confident	137 Å²	137	41 Å²	41	64%	0.64	20%	0.201	S	C	*	.	H	α-helix	trans	-64.3	-38.1	175.7	-66.9	175.6	19.9	0	0	112.3	N395 E396 L397 D402 K403	N395-Q399 WeakPolarHBondContact O-CG 3.46Å; N395-Q399 PolarHBondContact O-N 3.18Å; N395-Q399 VanDerWaalsContact O-N 3.12Å; E396-Q399 WeakPolarHBondContact O-CB 3.22Å; E396-Q399 PolarHBondContact O-N 2.94Å; L397-Q399 VanDerWaalsContact C-N 3.32Å; L397-Q399 PolarHBondContact O-N 3.42Å; Q399-D402 PolarHBondContact O-N 3.09Å; Q399-K403 WeakPolarHBondContact O-CB 3.33Å; Q399-K403 PolarHBondContact O-N 3.44Å
400	V	88.9	Confident	89.2	Confident	20 Å²	20	41.4 Å²	41.4	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-42.8	175.8	175.4	0	0	0	0	110.8	E396 L397 L398 K403 S404 R468 V469 Y472	E396-V400 WeakPolarHBondContact O-CG2 3.49Å; E396-V400 PolarHBondContact O-N 3.11Å; L397-V400 PolarHBondContact O-N 3.47Å; L397-V400 VanDerWaalsContact O-N 3.14Å; L398-V400 VanDerWaalsContact C-N 3.33Å; L398-V400 PolarHBondContact O-N 2.96Å; V400-K403 PolarHBondContact O-N 3.1Å; V400-S404 WeakPolarHBondContact O-CB 3.32Å; V400-S404 PolarHBondContact O-N 3.21Å; V400-R468 HydrophobicContact CG1-CB 3.9Å; V400-V469 HydrophobicContact CG1-CG2 4.04Å; V400-Y472 HydrophobicContact CB-CE2 4.5Å; V400-Y472 HydrophobicContact CG1-CE2 4.33Å; V400-Y472 HydrophobicContact CG2-CE2 4.05Å
401	I	89.4	Confident	88.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-50.2	174.2	-70.1	162.3	0	0	0	110.1	Y335 I338 Q339 V342 L397 L398 K403 S404 T405 V469	Y335-I401 HydrophobicContact CD1-CG2 3.99Å; I338-I401 HydrophobicContact CG2-CD1 3.69Å; Q339-I401 HydrophobicContact CB-CG2 4.17Å; V342-I401 HydrophobicContact CG2-CD1 4.22Å; L397-I401 HydrophobicContact CD1-CD1 4.1Å; L397-I401 HydrophobicContact CD1-CG1 4.19Å; L397-I401 HydrophobicContact CG-CD1 3.85Å; L397-I401 HydrophobicContact CG-CG1 4.42Å; L397-I401 WeakPolarHBondContact O-CG1 3.41Å; L397-I401 PolarHBondContact O-N 3.02Å; L398-I401 PolarHBondContact O-N 3.33Å; I401-K403 VanDerWaalsContact C-N 3.34Å; I401-K403 PolarHBondContact O-N 3.44Å; I401-S404 PolarHBondContact O-N 3.05Å; I401-T405 WeakPolarHBondContact O-CB 3.48Å; I401-T405 PolarHBondContact O-N 3.18Å; I401-T405 PolarHBondContact O-OG1 2.93Å; I401-V469 HydrophobicContact CG1-CG1 4.35Å; I401-V469 HydrophobicContact CG1-CG2 3.71Å
402	D	89.1	Confident	88.2	Confident	55 Å²	55	42 Å²	42	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-61.3	-40.9	-179.6	-81.9	-19.9	0	0	0	112.9	Q339 L398 Q399 K406	Q339-D402 PolarHBondContact NE2-OD1 3.3Å; L398-D402 PolarHBondContact O-N 3.3Å; Q399-D402 PolarHBondContact O-N 3.09Å; D402-K406 WeakPolarHBondContact O-CD 3.42Å; D402-K406 VanDerWaalsContact O-CG 3.29Å; D402-K406 WeakPolarHBondContact O-CG 3.42Å; D402-K406 PolarHBondContact O-N 3.21Å
403	K	85.2	Confident	87.8	Confident	95 Å²	95	42 Å²	42	41%	0.413	20%	0.197	S	C	.	.	H	α-helix	trans	-65.2	-47	174.9	-176.8	177.7	171	-175.6	0	110.7	Q399 V400 I401 K406 N407 E448	Q399-K403 WeakPolarHBondContact O-CB 3.33Å; Q399-K403 PolarHBondContact O-N 3.44Å; V400-K403 PolarHBondContact O-N 3.1Å; I401-K403 VanDerWaalsContact C-N 3.34Å; I401-K403 PolarHBondContact O-N 3.44Å; K403-K406 PolarHBondContact O-N 2.87Å; K403-N407 PolarHBondContact O-N 3.25Å; K403-E448 VanDerWaalsContact CE-OE2 3.26Å; K403-E448 WeakPolarHBondContact CE-OE2 3.13Å; K403-E448 VanDerWaalsContact NZ-CD 3.34Å; K403-E448 IonicContact NZ-OE1 3.12Å; K403-E448 PolarHBondContact NZ-OE1 3.17Å; K403-E448 IonicContact NZ-OE2 2.88Å; K403-E448 PolarHBondContact NZ-OE2 3.31Å
404	S	83.6	Confident	87.6	Confident	5 Å²	5	42.9 Å²	42.9	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-49.6	179.7	-166.2	0	0	0	0	111.3	Y335 V400 I401 K406 N407 F408	Y335-S404 PolarHBondContact OH-OG 3.06Å; V400-S404 WeakPolarHBondContact O-CB 3.32Å; V400-S404 PolarHBondContact O-N 3.21Å; I401-S404 PolarHBondContact O-N 3.05Å; S404-K406 VanDerWaalsContact C-N 3.34Å; S404-K406 PolarHBondContact O-N 3.34Å; S404-N407 PolarHBondContact O-N 3.32Å; S404-N407 VanDerWaalsContact O-N 3.15Å; S404-F408 VanDerWaalsContact O-CD2 3.27Å; S404-F408 WeakPolarHBondContact O-CD2 3.45Å; S404-F408 PolarHBondContact O-N 2.77Å; S404-F408 WeakPolarHBondContact OG-CD2 3.47Å; S404-F408 VanDerWaalsContact OG-CE2 3.28Å; S404-F408 WeakPolarHBondContact OG-CE2 3.42Å
405	T	84.6	Confident	87.2	Confident	34 Å²	34	43 Å²	43	21%	0.209	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-43.4	178.8	-61.2	0	0	0	0	112.1	I401 K409	I401-T405 WeakPolarHBondContact O-CB 3.48Å; I401-T405 PolarHBondContact O-N 3.18Å; I401-T405 PolarHBondContact O-OG1 2.93Å; T405-K409 VanDerWaalsContact O-CB 3.25Å; T405-K409 WeakPolarHBondContact O-CB 3.44Å; T405-K409 PolarHBondContact O-N 3.09Å
406	K	84	Confident	86.9	Confident	133 Å²	133	42.9 Å²	42.9	58%	0.578	20%	0.197	S	C	*	.	H	α-helix	trans	-63.7	-45.1	176.7	-73.1	168.4	-173.5	163.6	0	111.6	D402 K403 S404 K409 A410	D402-K406 WeakPolarHBondContact O-CD 3.42Å; D402-K406 VanDerWaalsContact O-CG 3.29Å; D402-K406 WeakPolarHBondContact O-CG 3.42Å; D402-K406 PolarHBondContact O-N 3.21Å; K403-K406 PolarHBondContact O-N 2.87Å; S404-K406 VanDerWaalsContact C-N 3.34Å; S404-K406 PolarHBondContact O-N 3.34Å; K406-K409 PolarHBondContact O-N 3.31Å; K406-A410 PolarHBondContact O-N 3.04Å; K406-A410 VanDerWaalsContact O-N 3.08Å
407	N	81.3	Confident	86.6	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-48.1	179.3	-72.1	-2.9	0	0	0	111.7	K403 S404 K409 A410 F411 F445	K403-N407 PolarHBondContact O-N 3.25Å; S404-N407 PolarHBondContact O-N 3.32Å; S404-N407 VanDerWaalsContact O-N 3.15Å; N407-K409 VanDerWaalsContact C-N 3.34Å; N407-K409 PolarHBondContact O-N 2.95Å; N407-A410 PolarHBondContact O-N 2.82Å; N407-F411 WeakPolarHBondContact O-CB 3.31Å; N407-F411 PolarHBondContact O-N 3.01Å; N407-F445 HydrophobicContact CB-CB 4.3Å; N407-F445 HydrophobicContact CB-CD2 3.68Å; N407-F445 HydrophobicContact CB-CE2 4.46Å; N407-F445 HydrophobicContact CB-CG 4.37Å
408	F	81.1	Confident	86.3	Confident	9 Å²	9	42 Å²	42	4%	0.039	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-42.9	176.9	-86.5	-68.8	0	0	0	111.9	M277 Y335 S404 A410 F411 F412 F445 V466	M277-F408 HydrophobicContact CE-CE1 3.84Å; M277-F408 HydrophobicContact CE-CZ 4.23Å; Y335-F408 AromaticContact CE2-CD2 3.92Å; Y335-F408 HydrophobicContact CE2-CD2 3.92Å; Y335-F408 HydrophobicContact CE2-CE2 4.09Å; Y335-F408 WeakPolarHBondContact OH-CE2 3.09Å; S404-F408 VanDerWaalsContact O-CD2 3.27Å; S404-F408 WeakPolarHBondContact O-CD2 3.45Å; S404-F408 PolarHBondContact O-N 2.77Å; S404-F408 WeakPolarHBondContact OG-CD2 3.47Å; S404-F408 VanDerWaalsContact OG-CE2 3.28Å; S404-F408 WeakPolarHBondContact OG-CE2 3.42Å; F408-A410 VanDerWaalsContact C-N 3.35Å; F408-A410 PolarHBondContact O-N 2.79Å; F408-F411 PolarHBondContact O-N 3.13Å; F408-F412 HydrophobicContact CB-CD2 4.31Å; F408-F412 HydrophobicContact CB-CE2 4.44Å; F408-F412 HydrophobicContact CD1-CD2 4.25Å; F408-F412 AromaticContact CD1-CE2 3.7Å; F408-F412 HydrophobicContact CD1-CE2 3.7Å; F408-F412 HydrophobicContact CE1-CE2 4.46Å; F408-F412 HydrophobicContact CG-CE2 4.49Å; F408-F412 WeakPolarHBondContact O-CB 3.43Å; F408-F412 VanDerWaalsContact O-CD2 3.24Å; F408-F412 WeakPolarHBondContact O-CD2 3.49Å; F408-F412 PolarHBondContact O-N 2.85Å; F408-F445 AromaticContact CD1-CE2 3.97Å; F408-F445 HydrophobicContact CD1-CE2 3.97Å; F408-F445 AromaticContact CD1-CZ 3.84Å; F408-F445 HydrophobicContact CD1-CZ 3.84Å; F408-F445 HydrophobicContact CD2-CE2 4.38Å; F408-F445 AromaticContact CE1-CE2 3.87Å; F408-F445 HydrophobicContact CE1-CE2 3.87Å; F408-F445 AromaticContact CE1-CZ 3.62Å; F408-F445 HydrophobicContact CE1-CZ 3.62Å; F408-F445 HydrophobicContact CE2-CE2 4.25Å; F408-F445 HydrophobicContact CG-CE2 4.24Å; F408-F445 HydrophobicContact CZ-CE2 4.01Å; F408-F445 HydrophobicContact CZ-CZ 4.13Å; F408-V466 HydrophobicContact CZ-CG1 4.43Å; F408-V466 WeakPolarHBondContact CZ-O 3.21Å
409	K	84.6	Confident	85.9	Confident	126 Å²	126	40.9 Å²	40.9	55%	0.548	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-41.1	178.2	-170.5	167.1	-167.2	140.2	0	112.3	E332 T405 K406 N407 R413	E332-K409 IonicContact OE1-NZ 2.68Å; E332-K409 PolarHBondContact OE1-NZ 3.02Å; T405-K409 VanDerWaalsContact O-CB 3.25Å; T405-K409 WeakPolarHBondContact O-CB 3.44Å; T405-K409 PolarHBondContact O-N 3.09Å; K406-K409 PolarHBondContact O-N 3.31Å; N407-K409 VanDerWaalsContact C-N 3.34Å; N407-K409 PolarHBondContact O-N 2.95Å; K409-R413 VanDerWaalsContact O-CB 3.26Å; K409-R413 WeakPolarHBondContact O-CB 3.26Å; K409-R413 PolarHBondContact O-N 3.43Å; K409-R413 VanDerWaalsContact O-N 3.14Å
410	A	84.8	Confident	85.6	Confident	12 Å²	12	34.6 Å²	34.6	10%	0.099	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-47.5	174.9	0	0	0	0	0	111.5	K406 N407 F408 R413 W414 F441 V442	K406-A410 PolarHBondContact O-N 3.04Å; K406-A410 VanDerWaalsContact O-N 3.08Å; N407-A410 PolarHBondContact O-N 2.82Å; F408-A410 VanDerWaalsContact C-N 3.35Å; F408-A410 PolarHBondContact O-N 2.79Å; A410-R413 PolarHBondContact O-N 3.12Å; A410-W414 PolarHBondContact O-N 2.93Å; A410-F441 HydrophobicContact CB-CB 4.07Å; A410-V442 HydrophobicContact CB-CG2 4.23Å
411	F	85.6	Confident	85.4	Confident	13 Å²	13	40.6 Å²	40.6	6%	0.057	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-51.7	178.5	174.1	-101.3	0	0	0	112.8	F298 N407 F408 R413 W414 L415 V442 F445 L446	F298-F411 HydrophobicContact CE1-CZ 4.45Å; N407-F411 WeakPolarHBondContact O-CB 3.31Å; N407-F411 PolarHBondContact O-N 3.01Å; F408-F411 PolarHBondContact O-N 3.13Å; F411-R413 VanDerWaalsContact C-N 3.34Å; F411-R413 PolarHBondContact O-N 3.44Å; F411-W414 AromaticContact CD2-CE3 3.95Å; F411-W414 HydrophobicContact CD2-CE3 3.95Å; F411-W414 HydrophobicContact CD2-CZ3 4Å; F411-W414 HydrophobicContact CE2-CE3 4.11Å; F411-W414 AromaticContact CE2-CZ3 3.73Å; F411-W414 HydrophobicContact CE2-CZ3 3.73Å; F411-W414 PolarHBondContact O-N 3.23Å; F411-W414 VanDerWaalsContact O-N 3.15Å; F411-L415 HydrophobicContact CE1-CD2 3.87Å; F411-L415 HydrophobicContact CZ-CD2 3.77Å; F411-L415 WeakPolarHBondContact O-CB 3.17Å; F411-L415 PolarHBondContact O-N 2.78Å; F411-V442 HydrophobicContact CD2-CG1 4.46Å; F411-F445 HydrophobicContact CB-CD1 3.69Å; F411-F445 HydrophobicContact CB-CE1 3.74Å; F411-F445 HydrophobicContact CB-CG 4.26Å; F411-F445 HydrophobicContact CB-CZ 4.36Å; F411-F445 HydrophobicContact CD1-CD1 4.41Å; F411-F445 AromaticContact CD1-CE1 3.68Å; F411-F445 HydrophobicContact CD1-CE1 3.68Å; F411-F445 HydrophobicContact CD1-CZ 4.22Å; F411-F445 AromaticContact CD2-CD1 3.48Å; F411-F445 HydrophobicContact CD2-CD1 3.48Å; F411-F445 VanDerWaalsContact CD2-CD1 3.48Å; F411-F445 AromaticContact CD2-CE1 3.45Å; F411-F445 HydrophobicContact CD2-CE1 3.45Å; F411-F445 VanDerWaalsContact CD2-CE1 3.45Å; F411-F445 HydrophobicContact CE1-CE1 4.11Å; F411-F445 HydrophobicContact CE2-CD1 4.19Å; F411-F445 AromaticContact CE2-CE1 3.89Å; F411-F445 HydrophobicContact CE2-CE1 3.89Å; F411-F445 AromaticContact CG-CD1 3.6Å; F411-F445 HydrophobicContact CG-CD1 3.6Å; F411-F445 AromaticContact CG-CE1 3.32Å; F411-F445 HydrophobicContact CG-CE1 3.32Å; F411-F445 HydrophobicContact CG-CZ 4.16Å; F411-F445 HydrophobicContact CZ-CE1 4.2Å; F411-L446 HydrophobicContact CD2-CD2 4.37Å; F411-L446 HydrophobicContact CE2-CD2 3.91Å
412	F	85.6	Confident	85	Confident	28 Å²	28	42.7 Å²	42.7	12%	0.123	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-38.3	-179.6	-83	-65.3	0	0	0	112.4	L324 L327 I331 F408 W414 Y416	L324-F412 HydrophobicContact CD1-CD1 3.6Å; L324-F412 HydrophobicContact CD1-CE1 3.61Å; L324-F412 HydrophobicContact CG-CD1 4.09Å; L324-F412 HydrophobicContact CG-CE1 4.44Å; L327-F412 HydrophobicContact CD2-CE1 4.13Å; L327-F412 HydrophobicContact CD2-CZ 4.17Å; L327-F412 HydrophobicContact CG-CE1 4.33Å; L327-F412 HydrophobicContact CG-CZ 4.17Å; I331-F412 HydrophobicContact CD1-CE2 3.76Å; I331-F412 HydrophobicContact CD1-CZ 3.64Å; F408-F412 HydrophobicContact CB-CD2 4.31Å; F408-F412 HydrophobicContact CB-CE2 4.44Å; F408-F412 HydrophobicContact CD1-CD2 4.25Å; F408-F412 AromaticContact CD1-CE2 3.7Å; F408-F412 HydrophobicContact CD1-CE2 3.7Å; F408-F412 HydrophobicContact CE1-CE2 4.46Å; F408-F412 HydrophobicContact CG-CE2 4.49Å; F408-F412 WeakPolarHBondContact O-CB 3.43Å; F408-F412 VanDerWaalsContact O-CD2 3.24Å; F408-F412 WeakPolarHBondContact O-CD2 3.49Å; F408-F412 PolarHBondContact O-N 2.85Å; F412-W414 VanDerWaalsContact C-N 3.31Å; F412-W414 PolarHBondContact O-N 3.4Å; F412-Y416 WeakPolarHBondContact O-CB 3.29Å; F412-Y416 PolarHBondContact O-N 3.2Å
413	R	85.5	Confident	84.6	Confident	81 Å²	81	42.6 Å²	42.6	31%	0.306	19%	0.194	S	C	.	.	H	α-helix	trans	-62.4	-41.4	175.1	-170.9	-176.8	175.1	-158.7	-2.3	111	K409 A410 F411 V417 E430 L431 K433 M434	K409-R413 VanDerWaalsContact O-CB 3.26Å; K409-R413 WeakPolarHBondContact O-CB 3.26Å; K409-R413 PolarHBondContact O-N 3.43Å; K409-R413 VanDerWaalsContact O-N 3.14Å; A410-R413 PolarHBondContact O-N 3.12Å; F411-R413 VanDerWaalsContact C-N 3.34Å; F411-R413 PolarHBondContact O-N 3.44Å; R413-V417 WeakPolarHBondContact O-CG2 3.1Å; R413-V417 PolarHBondContact O-N 3.5Å; R413-E430 PolarHBondContact NH2-O 2.9Å; R413-L431 HydrophobicContact CG-CD2 4.07Å; R413-K433 PolarHBondContact NH2-O 3.19Å; R413-M434 HydrophobicContact CB-CE 3.79Å; R413-M434 HydrophobicContact CG-CE 3.58Å
414	W	88.9	Confident	84.2	Confident	25 Å²	25	45.6 Å²	45.6	10%	0.095	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-51.1	178.9	163.5	71.8	0	0	0	111.1	F298 L301 L302 A410 F411 F412 Y416 V417 A418 M434 V442	F298-W414 HydrophobicContact CB-CH2 4.48Å; F298-W414 AromaticContact CD1-CH2 3.98Å; F298-W414 HydrophobicContact CD1-CH2 3.98Å; F298-W414 HydrophobicContact CD1-CZ3 4.07Å; L301-W414 HydrophobicContact CB-CZ2 4.4Å; L301-W414 HydrophobicContact CD2-CH2 4.16Å; L301-W414 HydrophobicContact CD2-CZ2 4.22Å; L301-W414 HydrophobicContact CG-CH2 4.33Å; L301-W414 HydrophobicContact CG-CZ2 4.01Å; L302-W414 HydrophobicContact CB-CH2 4.24Å; L302-W414 HydrophobicContact CB-CZ2 3.68Å; L302-W414 HydrophobicContact CD1-CD2 4.11Å; L302-W414 VanDerWaalsContact CD1-CE2 3.48Å; L302-W414 HydrophobicContact CD1-CG 4.33Å; L302-W414 HydrophobicContact CD1-CZ2 3.81Å; L302-W414 VanDerWaalsContact CD1-NE1 3.32Å; L302-W414 HydrophobicContact CG-CZ2 4.36Å; A410-W414 PolarHBondContact O-N 2.93Å; F411-W414 AromaticContact CD2-CE3 3.95Å; F411-W414 HydrophobicContact CD2-CE3 3.95Å; F411-W414 HydrophobicContact CD2-CZ3 4Å; F411-W414 HydrophobicContact CE2-CE3 4.11Å; F411-W414 AromaticContact CE2-CZ3 3.73Å; F411-W414 HydrophobicContact CE2-CZ3 3.73Å; F411-W414 PolarHBondContact O-N 3.23Å; F411-W414 VanDerWaalsContact O-N 3.15Å; F412-W414 VanDerWaalsContact C-N 3.31Å; F412-W414 PolarHBondContact O-N 3.4Å; W414-Y416 VanDerWaalsContact C-N 3.26Å; W414-Y416 PolarHBondContact O-N 3.14Å; W414-V417 PolarHBondContact O-N 3.34Å; W414-V417 VanDerWaalsContact O-N 3.1Å; W414-A418 PolarHBondContact O-N 3.35Å; W414-M434 HydrophobicContact CB-CE 3.59Å; W414-M434 HydrophobicContact CB-SD 4.01Å; W414-V442 HydrophobicContact CB-CG2 3.9Å; W414-V442 HydrophobicContact CD2-CG1 3.82Å; W414-V442 HydrophobicContact CE3-CG1 3.59Å; W414-V442 HydrophobicContact CG-CG1 4.23Å; W414-V442 HydrophobicContact CG-CG2 4.31Å; W414-V442 HydrophobicContact CZ3-CG1 4.05Å
415	L	87	Confident	83.9	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-37.4	-178.3	-172.5	59	0	0	0	111.5	F298 L315 L324 F411 A418 M419	F298-L415 HydrophobicContact CE1-CD1 3.95Å; F298-L415 HydrophobicContact CE1-CD2 4.46Å; L315-L415 HydrophobicContact CD1-CD1 4.08Å; L315-L415 HydrophobicContact CD2-CD1 3.94Å; L315-L415 HydrophobicContact CD2-CD2 4.18Å; L315-L415 HydrophobicContact CD2-CG 4.37Å; L324-L415 HydrophobicContact CD1-CD2 3.77Å; L324-L415 HydrophobicContact CD1-CG 4.33Å; L324-L415 HydrophobicContact CD2-CB 4.28Å; L324-L415 HydrophobicContact CD2-CD2 4.43Å; L324-L415 HydrophobicContact CD2-CG 4.09Å; F411-L415 HydrophobicContact CE1-CD2 3.87Å; F411-L415 HydrophobicContact CZ-CD2 3.77Å; F411-L415 WeakPolarHBondContact O-CB 3.17Å; F411-L415 PolarHBondContact O-N 2.78Å; L415-A418 PolarHBondContact O-N 2.81Å; L415-M419 HydrophobicContact CG-SD 4.42Å; L415-M419 WeakPolarHBondContact O-CB 3.46Å; L415-M419 VanDerWaalsContact O-CG 3.3Å; L415-M419 WeakPolarHBondContact O-CG 3.17Å; L415-M419 PolarHBondContact O-N 3.26Å
416	Y	86.4	Confident	83.5	Confident	56 Å²	56	56.7 Å²	56.7	22%	0.22	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-45.7	174.5	-176.7	-105.8	0	0	0	112.3	V321 L324 F412 W414 M419 L420 L431	V321-Y416 HydrophobicContact CG1-CD2 4.12Å; V321-Y416 HydrophobicContact CG1-CE2 3.46Å; V321-Y416 VanDerWaalsContact CG1-CE2 3.46Å; L324-Y416 HydrophobicContact CD2-CD2 4.25Å; F412-Y416 WeakPolarHBondContact O-CB 3.29Å; F412-Y416 PolarHBondContact O-N 3.2Å; W414-Y416 VanDerWaalsContact C-N 3.26Å; W414-Y416 PolarHBondContact O-N 3.14Å; Y416-M419 PolarHBondContact O-N 2.78Å; Y416-L420 HydrophobicContact CD1-CD1 4Å; Y416-L420 HydrophobicContact CE1-CD1 3.53Å; Y416-L420 HydrophobicContact CE1-CG 4.34Å; Y416-L420 WeakPolarHBondContact O-CG 3.46Å; Y416-L420 PolarHBondContact O-N 2.88Å; Y416-L420 VanDerWaalsContact O-N 3.08Å; Y416-L431 HydrophobicContact CD1-CD1 3.98Å; Y416-L431 HydrophobicContact CE1-CD1 3.66Å
417	V	85.7	Confident	83.1	Confident	7 Å²	7	51.6 Å²	51.6	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-40.1	176.5	172.8	0	0	0	0	111.4	R413 W414 L420 R421 V427 L431	R413-V417 WeakPolarHBondContact O-CG2 3.1Å; R413-V417 PolarHBondContact O-N 3.5Å; W414-V417 PolarHBondContact O-N 3.34Å; W414-V417 VanDerWaalsContact O-N 3.1Å; V417-L420 PolarHBondContact O-N 2.93Å; V417-R421 WeakPolarHBondContact O-CG 3.42Å; V417-R421 PolarHBondContact O-N 2.96Å; V417-R421 VanDerWaalsContact O-N 3.14Å; V417-V427 HydrophobicContact CG1-CG1 4.14Å; V417-V427 HydrophobicContact CG2-CG1 4.47Å; V417-L431 HydrophobicContact CG2-CB 3.9Å
418	A	85.9	Confident	82.9	Confident	13 Å²	13	53.6 Å²	53.6	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-46.8	176.5	0	0	0	0	0	111.1	W414 L415 L420 R421 M422	W414-A418 PolarHBondContact O-N 3.35Å; L415-A418 PolarHBondContact O-N 2.81Å; A418-L420 PolarHBondContact O-N 2.88Å; A418-R421 PolarHBondContact O-N 3.46Å; A418-M422 VanDerWaalsContact O-CG 3.28Å; A418-M422 WeakPolarHBondContact O-CG 3.13Å; A418-M422 PolarHBondContact O-N 3.12Å
419	M	86.2	Confident	82.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-42.2	178.3	-72.3	-178.7	66.4	0	0	112.8	L315 M316 V321 L324 L415 Y416 R421 M422 C423	L315-M419 HydrophobicContact CB-CE 4.11Å; L315-M419 HydrophobicContact CB-CG 4.26Å; L315-M419 HydrophobicContact CB-SD 4.2Å; L315-M419 HydrophobicContact CD1-CG 4.39Å; L315-M419 HydrophobicContact CD2-SD 4.04Å; L315-M419 WeakPolarHBondContact O-CE 3.26Å; M316-M419 HydrophobicContact CE-CB 3.93Å; M316-M419 HydrophobicContact CE-CE 4.15Å; M316-M419 HydrophobicContact CE-CG 3.89Å; M316-M419 HydrophobicContact SD-CE 4.47Å; V321-M419 HydrophobicContact CG2-CB 4.24Å; V321-M419 HydrophobicContact CG2-CE 3.98Å; L324-M419 HydrophobicContact CB-SD 4.37Å; L324-M419 HydrophobicContact CD2-SD 3.74Å; L324-M419 HydrophobicContact CG-SD 4.5Å; L415-M419 HydrophobicContact CG-SD 4.42Å; L415-M419 WeakPolarHBondContact O-CB 3.46Å; L415-M419 VanDerWaalsContact O-CG 3.3Å; L415-M419 WeakPolarHBondContact O-CG 3.17Å; L415-M419 PolarHBondContact O-N 3.26Å; Y416-M419 PolarHBondContact O-N 2.78Å; M419-R421 VanDerWaalsContact C-N 3.31Å; M419-R421 PolarHBondContact O-N 3.1Å; M419-M422 PolarHBondContact O-N 2.84Å; M419-M422 VanDerWaalsContact O-N 3.16Å; M419-C423 PolarHBondContact O-N 2.8Å; M419-C423 PolarHBondContact O-SG 2.85Å; M419-C423 VanDerWaalsContact O-SG 3.36Å
420	L	84.6	Confident	81.4	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-41.4	176	-73.2	175.5	0	0	0	112	V321 Y416 V417 A418 M422 C423 D424 E425 V427	V321-L420 HydrophobicContact CG1-CD2 4.12Å; Y416-L420 HydrophobicContact CD1-CD1 4Å; Y416-L420 HydrophobicContact CE1-CD1 3.53Å; Y416-L420 HydrophobicContact CE1-CG 4.34Å; Y416-L420 WeakPolarHBondContact O-CG 3.46Å; Y416-L420 PolarHBondContact O-N 2.88Å; Y416-L420 VanDerWaalsContact O-N 3.08Å; V417-L420 PolarHBondContact O-N 2.93Å; A418-L420 PolarHBondContact O-N 2.88Å; L420-M422 VanDerWaalsContact C-N 3.33Å; L420-C423 PolarHBondContact O-N 2.99Å; L420-D424 PolarHBondContact O-N 2.98Å; L420-E425 HydrophobicContact CD2-CB 3.98Å; L420-E425 VanDerWaalsContact CD2-OE2 3.3Å; L420-E425 WeakPolarHBondContact CD2-OE2 3.2Å; L420-E425 PolarHBondContact O-N 3.43Å; L420-V427 HydrophobicContact CB-CG2 3.91Å; L420-V427 HydrophobicContact CD1-CG2 4.48Å
421	R	83.6	Confident	80.7	Confident	146 Å²	146	60.8 Å²	60.8	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-65.6	-36	176	-69.6	179.4	-173.2	172.9	2.8	112.2	V417 A418 M419 C423 D424 V427 N432	V417-R421 WeakPolarHBondContact O-CG 3.42Å; V417-R421 PolarHBondContact O-N 2.96Å; V417-R421 VanDerWaalsContact O-N 3.14Å; A418-R421 PolarHBondContact O-N 3.46Å; M419-R421 VanDerWaalsContact C-N 3.31Å; M419-R421 PolarHBondContact O-N 3.1Å; R421-C423 VanDerWaalsContact C-N 3.28Å; R421-C423 PolarHBondContact O-N 3.11Å; R421-D424 PolarHBondContact O-N 3.06Å; R421-V427 HydrophobicContact CG-CG2 3.91Å; R421-N432 PolarHBondContact NH2-OD1 3.03Å
422	M	82.8	Confident	79.9	Confident	45 Å²	45	64.3 Å²	64.3	22%	0.222	32%	0.319	C	S	.	.	H	α-helix	trans	-70	-24.5	176.5	-67.6	172.3	69.8	0	0	113.1	L301 S307 Q312 L315 M316 A418 M419 L420	L301-M422 HydrophobicContact CD1-SD 4.47Å; S307-M422 WeakPolarHBondContact OG-CE 3.09Å; Q312-M422 HydrophobicContact CB-CE 3.8Å; Q312-M422 HydrophobicContact CG-CE 3.55Å; L315-M422 HydrophobicContact CD1-SD 4.46Å; M316-M422 HydrophobicContact CE-CB 3.67Å; M316-M422 HydrophobicContact CE-CE 3.99Å; M316-M422 HydrophobicContact CE-CG 4.43Å; M316-M422 HydrophobicContact CE-SD 3.95Å; A418-M422 VanDerWaalsContact O-CG 3.28Å; A418-M422 WeakPolarHBondContact O-CG 3.13Å; A418-M422 PolarHBondContact O-N 3.12Å; M419-M422 PolarHBondContact O-N 2.84Å; M419-M422 VanDerWaalsContact O-N 3.16Å; L420-M422 VanDerWaalsContact C-N 3.33Å
423	C	78.7	Confident	79	Confident	52 Å²	52	70.6 Å²	70.6	35%	0.351	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.3	175.5	-63.7	0	0	0	0	113.9	M316 M419 L420 R421 E425	M316-C423 PolarHBondContact SD-SG 3.02Å; M419-C423 PolarHBondContact O-N 2.8Å; M419-C423 PolarHBondContact O-SG 2.85Å; M419-C423 VanDerWaalsContact O-SG 3.36Å; L420-C423 PolarHBondContact O-N 2.99Å; R421-C423 VanDerWaalsContact C-N 3.28Å; R421-C423 PolarHBondContact O-N 3.11Å; C423-E425 HydrophobicContact CB-CB 4.32Å; C423-E425 HydrophobicContact CB-CG 3.85Å; C423-E425 PolarHBondContact O-N 2.78Å; C423-E425 VanDerWaalsContact O-N 3.14Å
424	D	77.1	Confident	78.3	Confident	158 Å²	158	69.1 Å²	69.1	85%	0.845	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	27	-167.5	-71.4	-38.9	0	0	0	113.5	L420 R421	L420-D424 PolarHBondContact O-N 2.98Å; R421-D424 PolarHBondContact O-N 3.06Å
425	E	77.1	Confident	77.9	Confident	109 Å²	109	71.5 Å²	71.5	51%	0.509	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-84.4	151.6	177.1	-74.4	-171.8	174.8	0	0	111.5	L420 C423 V427	L420-E425 HydrophobicContact CD2-CB 3.98Å; L420-E425 VanDerWaalsContact CD2-OE2 3.3Å; L420-E425 WeakPolarHBondContact CD2-OE2 3.2Å; L420-E425 PolarHBondContact O-N 3.43Å; C423-E425 HydrophobicContact CB-CB 4.32Å; C423-E425 HydrophobicContact CB-CG 3.85Å; C423-E425 PolarHBondContact O-N 2.78Å; C423-E425 VanDerWaalsContact O-N 3.14Å; E425-V427 PolarHBondContact O-N 2.92Å
426	H	76.5	Confident	77.6	Confident	164 Å²	164	78.7 Å²	78.7	76%	0.759	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-66.5	116.7	-178.6	-172.9	66.6	0	0	0	111.7	P428	H426-P428 WeakPolarHBondContact O-CD 3.35Å
427	V	77.1	Confident	77.3	Confident	26 Å²	26	82.8 Å²	82.8	16%	0.158	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-80.5	120.6	175.4	-178.3	0	0	0	0	109.9	V417 L420 R421 E425	V417-V427 HydrophobicContact CG1-CG1 4.14Å; V417-V427 HydrophobicContact CG2-CG1 4.47Å; L420-V427 HydrophobicContact CB-CG2 3.91Å; L420-V427 HydrophobicContact CD1-CG2 4.48Å; R421-V427 HydrophobicContact CG-CG2 3.91Å; E425-V427 PolarHBondContact O-N 2.92Å
428	P	75.8	Confident	77	Confident	47 Å²	47	84.2 Å²	84.2	31%	0.305	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-58.1	135.7	176.2	-25.4	34.9	0	0	0	111.9	H426 E430 L431 N432	H426-P428 WeakPolarHBondContact O-CD 3.35Å; P428-E430 PolarHBondContact O-N 3.01Å; P428-E430 VanDerWaalsContact O-N 3.08Å; P428-L431 HydrophobicContact CB-CD1 4.14Å; P428-L431 HydrophobicContact CG-CD1 3.92Å; P428-L431 PolarHBondContact O-N 2.88Å; P428-N432 PolarHBondContact O-N 2.58Å
429	P	67.4	Low	76.9	Confident	94 Å²	94	86.6 Å²	86.6	61%	0.61	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.4	-174.7	22.6	-32.6	0	0	0	113.9
430	E	66.3	Low	76.7	Confident	160 Å²	160	88.8 Å²	88.8	75%	0.748	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-33.4	175.8	-64.5	169	179.2	0	0	112.9	R413 P428	R413-E430 PolarHBondContact NH2-O 2.9Å; P428-E430 PolarHBondContact O-N 3.01Å; P428-E430 VanDerWaalsContact O-N 3.08Å
431	L	71	Confident	76.6	Confident	44 Å²	44	91.7 Å²	91.7	23%	0.23	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.4	179.7	-74.6	163.3	0	0	0	112.4	R413 Y416 V417 P428 K433	R413-L431 HydrophobicContact CG-CD2 4.07Å; Y416-L431 HydrophobicContact CD1-CD1 3.98Å; Y416-L431 HydrophobicContact CE1-CD1 3.66Å; V417-L431 HydrophobicContact CG2-CB 3.9Å; P428-L431 HydrophobicContact CB-CD1 4.14Å; P428-L431 HydrophobicContact CG-CD1 3.92Å; P428-L431 PolarHBondContact O-N 2.88Å; L431-K433 PolarHBondContact O-N 3.36Å
432	N	68.3	Low	76.7	Confident	87 Å²	87	84.8 Å²	84.8	47%	0.465	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.1	-177.9	-141.2	13	0	0	0	113.6	R421 P428 M434	R421-N432 PolarHBondContact NH2-OD1 3.03Å; P428-N432 PolarHBondContact O-N 2.58Å; N432-M434 VanDerWaalsContact C-N 3.34Å; N432-M434 PolarHBondContact O-N 3.09Å; N432-M434 VanDerWaalsContact O-N 3.13Å
433	K	66.6	Low	76.7	Confident	159 Å²	159	84.1 Å²	84.1	69%	0.691	44%	0.437	S	S	*	.			trans	-84.5	70.2	175	-62.4	-178.9	-175.5	176.1	0	111.1	R413 L431	R413-K433 PolarHBondContact NH2-O 3.19Å; L431-K433 PolarHBondContact O-N 3.36Å
434	M	71	Confident	76.8	Confident	50 Å²	50	86 Å²	86	25%	0.246	44%	0.444	C	S	.	.			trans	-91	130.2	165.7	-75.5	-163.1	161.1	0	0	110.2	R413 W414 N432	R413-M434 HydrophobicContact CB-CE 3.79Å; R413-M434 HydrophobicContact CG-CE 3.58Å; W414-M434 HydrophobicContact CB-CE 3.59Å; W414-M434 HydrophobicContact CB-SD 4.01Å; N432-M434 VanDerWaalsContact C-N 3.34Å; N432-M434 PolarHBondContact O-N 3.09Å; N432-M434 VanDerWaalsContact O-N 3.13Å
435	T	79.8	Confident	76.9	Confident	76 Å²	76	78.5 Å²	78.5	47%	0.466	40%	0.403	S	S	.	.			trans	-84.9	160.5	175.3	67.9	0	0	0	0	110.5	K437 D438 I439	T435-K437 PolarHBondContact O-N 3.3Å; T435-K437 VanDerWaalsContact O-N 3.14Å; T435-D438 WeakPolarHBondContact CB-OD2 3.26Å; T435-D438 PolarHBondContact N-OD2 3.38Å; T435-D438 WeakPolarHBondContact O-CB 3.43Å; T435-D438 PolarHBondContact O-N 2.78Å; T435-D438 PolarHBondContact OG1-N 3.29Å; T435-D438 PolarHBondContact OG1-OD2 3.03Å; T435-I439 PolarHBondContact O-N 2.93Å
436	Q	81.2	Confident	77.1	Confident	155 Å²	155	73.3 Å²	73.3	72%	0.724	38%	0.379	S	S	*	.	H	α-helix	trans	-57.3	-29.3	173.6	-164.3	67	13.4	0	0	112.2	I439 A440	Q436-I439 PolarHBondContact O-N 3.03Å; Q436-A440 PolarHBondContact O-N 2.79Å; Q436-A440 VanDerWaalsContact O-N 3.08Å
437	K	80.9	Confident	77	Confident	142 Å²	142	68.4 Å²	68.4	62%	0.617	36%	0.363	S	S	*	.	H	α-helix	trans	-68.5	-37.5	176	-165.7	-177	-179.5	-178.2	0	111.8	T435 A440 F441	T435-K437 PolarHBondContact O-N 3.3Å; T435-K437 VanDerWaalsContact O-N 3.14Å; K437-A440 PolarHBondContact O-N 3.27Å; K437-F441 HydrophobicContact CD-CE2 4.02Å; K437-F441 HydrophobicContact CG-CD2 4.14Å; K437-F441 HydrophobicContact CG-CE2 3.72Å; K437-F441 WeakPolarHBondContact O-CD2 3.09Å; K437-F441 PolarHBondContact O-N 2.9Å
438	D	79.4	Confident	76.7	Confident	36 Å²	36	69.9 Å²	69.9	19%	0.193	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-40.2	176.3	-57.4	-43.1	0	0	0	111	T435 A440 F441 V442	T435-D438 WeakPolarHBondContact CB-OD2 3.26Å; T435-D438 PolarHBondContact N-OD2 3.38Å; T435-D438 WeakPolarHBondContact O-CB 3.43Å; T435-D438 PolarHBondContact O-N 2.78Å; T435-D438 PolarHBondContact OG1-N 3.29Å; T435-D438 PolarHBondContact OG1-OD2 3.03Å; D438-A440 VanDerWaalsContact C-N 3.34Å; D438-F441 WeakPolarHBondContact O-CB 3.31Å; D438-F441 PolarHBondContact O-N 3.08Å; D438-V442 WeakPolarHBondContact O-CG2 3.48Å; D438-V442 PolarHBondContact O-N 3.26Å
439	I	82.8	Confident	76.5	Confident	63 Å²	63	67.9 Å²	67.9	32%	0.323	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-42.6	175.4	-61.7	173.7	0	0	0	110.7	L302 T435 Q436 F441 V442 A443	L302-I439 HydrophobicContact CD1-CG2 4.37Å; T435-I439 PolarHBondContact O-N 2.93Å; Q436-I439 PolarHBondContact O-N 3.03Å; I439-F441 VanDerWaalsContact C-N 3.34Å; I439-F441 PolarHBondContact O-N 2.68Å; I439-V442 PolarHBondContact O-N 2.52Å; I439-A443 PolarHBondContact O-N 3.28Å
440	A	83.3	Confident	76.6	Confident	47 Å²	47	63.6 Å²	63.6	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-41.7	174.1	0	0	0	0	0	111.8	Q436 K437 D438 V442 A443 D444	Q436-A440 PolarHBondContact O-N 2.79Å; Q436-A440 VanDerWaalsContact O-N 3.08Å; K437-A440 PolarHBondContact O-N 3.27Å; D438-A440 VanDerWaalsContact C-N 3.34Å; A440-V442 VanDerWaalsContact C-N 3.33Å; A440-V442 PolarHBondContact O-N 3.13Å; A440-A443 PolarHBondContact O-N 2.98Å; A440-D444 WeakPolarHBondContact O-CB 3.37Å; A440-D444 VanDerWaalsContact O-CG 3.29Å; A440-D444 PolarHBondContact O-N 3.4Å
441	F	82.2	Confident	76.5	Confident	65 Å²	65	58.4 Å²	58.4	29%	0.285	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-37.6	174.4	-79	-58.8	0	0	0	113.2	A410 K437 D438 I439 F445	A410-F441 HydrophobicContact CB-CB 4.07Å; K437-F441 HydrophobicContact CD-CE2 4.02Å; K437-F441 HydrophobicContact CG-CD2 4.14Å; K437-F441 HydrophobicContact CG-CE2 3.72Å; K437-F441 WeakPolarHBondContact O-CD2 3.09Å; K437-F441 PolarHBondContact O-N 2.9Å; D438-F441 WeakPolarHBondContact O-CB 3.31Å; D438-F441 PolarHBondContact O-N 3.08Å; I439-F441 VanDerWaalsContact C-N 3.34Å; I439-F441 PolarHBondContact O-N 2.68Å; F441-F445 VanDerWaalsContact O-CB 3.26Å; F441-F445 WeakPolarHBondContact O-CB 3.4Å; F441-F445 PolarHBondContact O-N 3.48Å
442	V	85.1	Confident	75.7	Confident	1 Å²	1	61 Å²	61	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-67.5	-43.2	175.8	177.1	0	0	0	0	110.7	L302 A410 F411 W414 D438 I439 A440 F445 L446	L302-V442 HydrophobicContact CD1-CB 4.48Å; L302-V442 HydrophobicContact CD1-CG1 4.01Å; L302-V442 HydrophobicContact CD2-CB 4.46Å; L302-V442 HydrophobicContact CD2-CG1 4.05Å; A410-V442 HydrophobicContact CB-CG2 4.23Å; F411-V442 HydrophobicContact CD2-CG1 4.46Å; W414-V442 HydrophobicContact CB-CG2 3.9Å; W414-V442 HydrophobicContact CD2-CG1 3.82Å; W414-V442 HydrophobicContact CE3-CG1 3.59Å; W414-V442 HydrophobicContact CG-CG1 4.23Å; W414-V442 HydrophobicContact CG-CG2 4.31Å; W414-V442 HydrophobicContact CZ3-CG1 4.05Å; D438-V442 WeakPolarHBondContact O-CG2 3.48Å; D438-V442 PolarHBondContact O-N 3.26Å; I439-V442 PolarHBondContact O-N 2.52Å; A440-V442 VanDerWaalsContact C-N 3.33Å; A440-V442 PolarHBondContact O-N 3.13Å; V442-F445 PolarHBondContact O-N 2.95Å; V442-L446 HydrophobicContact CG1-CD1 4.19Å; V442-L446 HydrophobicContact CG1-CG 4.47Å; V442-L446 WeakPolarHBondContact O-CG 3.45Å; V442-L446 PolarHBondContact O-N 2.82Å
443	A	83.9	Confident	75.1	Confident	31 Å²	31	59.7 Å²	59.7	26%	0.256	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-45	176.1	0	0	0	0	0	111.9	L302 I439 A440 F445 L446 S447	L302-A443 HydrophobicContact CD2-CB 4.12Å; I439-A443 PolarHBondContact O-N 3.28Å; A440-A443 PolarHBondContact O-N 2.98Å; A443-F445 VanDerWaalsContact C-N 3.32Å; A443-F445 PolarHBondContact O-N 2.81Å; A443-L446 PolarHBondContact O-N 2.89Å; A443-S447 WeakPolarHBondContact O-CB 3.1Å; A443-S447 PolarHBondContact O-N 3.41Å
444	D	79.3	Confident	74.3	Confident	91 Å²	91	59.4 Å²	59.4	49%	0.487	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-43.2	174.4	-73.7	-15.6	0	0	0	110.6	A440 S447 E448	A440-D444 WeakPolarHBondContact O-CB 3.37Å; A440-D444 VanDerWaalsContact O-CG 3.29Å; A440-D444 PolarHBondContact O-N 3.4Å; D444-S447 PolarHBondContact O-N 2.86Å; D444-E448 WeakPolarHBondContact O-CB 2.9Å; D444-E448 VanDerWaalsContact O-CG 3.3Å; D444-E448 WeakPolarHBondContact O-CG 3.22Å; D444-E448 PolarHBondContact O-N 2.98Å
445	F	80.4	Confident	73.3	Confident	1 Å²	1	63.6 Å²	63.6	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-47.6	176.6	175.7	-99.6	0	0	0	112.2	N407 F408 F411 F441 V442 A443 S447 E448 H449 F450	N407-F445 HydrophobicContact CB-CB 4.3Å; N407-F445 HydrophobicContact CB-CD2 3.68Å; N407-F445 HydrophobicContact CB-CE2 4.46Å; N407-F445 HydrophobicContact CB-CG 4.37Å; F408-F445 AromaticContact CD1-CE2 3.97Å; F408-F445 HydrophobicContact CD1-CE2 3.97Å; F408-F445 AromaticContact CD1-CZ 3.84Å; F408-F445 HydrophobicContact CD1-CZ 3.84Å; F408-F445 HydrophobicContact CD2-CE2 4.38Å; F408-F445 AromaticContact CE1-CE2 3.87Å; F408-F445 HydrophobicContact CE1-CE2 3.87Å; F408-F445 AromaticContact CE1-CZ 3.62Å; F408-F445 HydrophobicContact CE1-CZ 3.62Å; F408-F445 HydrophobicContact CE2-CE2 4.25Å; F408-F445 HydrophobicContact CG-CE2 4.24Å; F408-F445 HydrophobicContact CZ-CE2 4.01Å; F408-F445 HydrophobicContact CZ-CZ 4.13Å; F411-F445 HydrophobicContact CB-CD1 3.69Å; F411-F445 HydrophobicContact CB-CE1 3.74Å; F411-F445 HydrophobicContact CB-CG 4.26Å; F411-F445 HydrophobicContact CB-CZ 4.36Å; F411-F445 HydrophobicContact CD1-CD1 4.41Å; F411-F445 AromaticContact CD1-CE1 3.68Å; F411-F445 HydrophobicContact CD1-CE1 3.68Å; F411-F445 HydrophobicContact CD1-CZ 4.22Å; F411-F445 AromaticContact CD2-CD1 3.48Å; F411-F445 HydrophobicContact CD2-CD1 3.48Å; F411-F445 VanDerWaalsContact CD2-CD1 3.48Å; F411-F445 AromaticContact CD2-CE1 3.45Å; F411-F445 HydrophobicContact CD2-CE1 3.45Å; F411-F445 VanDerWaalsContact CD2-CE1 3.45Å; F411-F445 HydrophobicContact CE1-CE1 4.11Å; F411-F445 HydrophobicContact CE2-CD1 4.19Å; F411-F445 AromaticContact CE2-CE1 3.89Å; F411-F445 HydrophobicContact CE2-CE1 3.89Å; F411-F445 AromaticContact CG-CD1 3.6Å; F411-F445 HydrophobicContact CG-CD1 3.6Å; F411-F445 AromaticContact CG-CE1 3.32Å; F411-F445 HydrophobicContact CG-CE1 3.32Å; F411-F445 HydrophobicContact CG-CZ 4.16Å; F411-F445 HydrophobicContact CZ-CE1 4.2Å; F441-F445 VanDerWaalsContact O-CB 3.26Å; F441-F445 WeakPolarHBondContact O-CB 3.4Å; F441-F445 PolarHBondContact O-N 3.48Å; V442-F445 PolarHBondContact O-N 2.95Å; A443-F445 VanDerWaalsContact C-N 3.32Å; A443-F445 PolarHBondContact O-N 2.81Å; F445-S447 VanDerWaalsContact C-N 3.32Å; F445-S447 PolarHBondContact O-N 3.21Å; F445-E448 PolarHBondContact O-N 3Å; F445-H449 HydrophobicContact CD2-CB 4.46Å; F445-H449 AromaticContact CD2-CD2 3.19Å; F445-H449 WeakPolarHBondContact CD2-CD2 3.26Å; F445-H449 AromaticContact CD2-CG 3.83Å; F445-H449 AromaticContact CD2-NE2 3.52Å; F445-H449 HydrophobicContact CE2-CB 4.26Å; F445-H449 AromaticContact CE2-CD2 3.51Å; F445-H449 AromaticContact CE2-CE1 3.99Å; F445-H449 AromaticContact CE2-CG 3.69Å; F445-H449 AromaticContact CE2-ND1 3.99Å; F445-H449 AromaticContact CE2-NE2 3.73Å; F445-H449 AromaticContact CG-CD2 3.97Å; F445-H449 HydrophobicContact CZ-CB 4.44Å; F445-H449 WeakPolarHBondContact O-CB 3.34Å; F445-H449 PolarHBondContact O-CD2 2.86Å; F445-H449 VanDerWaalsContact O-CD2 3.32Å; F445-H449 PolarHBondContact O-N 3.48Å; F445-F450 HydrophobicContact CD1-CE2 4.42Å; F445-F450 AromaticContact CE1-CE2 3.76Å; F445-F450 HydrophobicContact CE1-CE2 3.76Å; F445-F450 HydrophobicContact CZ-CE2 4.35Å
446	L	79.9	Confident	71.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-44.4	178	-70.7	174	0	0	0	111.1	F298 L299 L302 F411 V442 A443 F450	F298-L446 HydrophobicContact CB-CD1 3.88Å; F298-L446 HydrophobicContact CB-CD2 3.53Å; F298-L446 HydrophobicContact CB-CG 4.34Å; F298-L446 HydrophobicContact CD2-CD2 4.46Å; F298-L446 HydrophobicContact CG-CD2 4.04Å; L299-L446 HydrophobicContact CD2-CB 4.19Å; L299-L446 HydrophobicContact CD2-CD1 3.83Å; L299-L446 HydrophobicContact CG-CB 4.44Å; L299-L446 HydrophobicContact CG-CD1 4.18Å; L302-L446 HydrophobicContact CD2-CD1 4.24Å; F411-L446 HydrophobicContact CD2-CD2 4.37Å; F411-L446 HydrophobicContact CE2-CD2 3.91Å; V442-L446 HydrophobicContact CG1-CD1 4.19Å; V442-L446 HydrophobicContact CG1-CG 4.47Å; V442-L446 WeakPolarHBondContact O-CG 3.45Å; V442-L446 PolarHBondContact O-N 2.82Å; A443-L446 PolarHBondContact O-N 2.89Å; L446-F450 HydrophobicContact CD2-CD2 3.91Å; L446-F450 HydrophobicContact CD2-CE2 4.11Å; L446-F450 WeakPolarHBondContact O-CB 3.29Å; L446-F450 PolarHBondContact O-N 3.33Å; L446-F450 VanDerWaalsContact O-N 3.07Å
447	S	75.9	Confident	70.4	Confident	61 Å²	61	57.4 Å²	57.4	43%	0.427	30%	0.298	S	S	.	.	H	α-helix	trans	-68.5	-36.5	176.7	-174.6	0	0	0	0	113.4	A443 D444 F445 S451	A443-S447 WeakPolarHBondContact O-CB 3.1Å; A443-S447 PolarHBondContact O-N 3.41Å; D444-S447 PolarHBondContact O-N 2.86Å; F445-S447 VanDerWaalsContact C-N 3.32Å; F445-S447 PolarHBondContact O-N 3.21Å; S447-S451 WeakPolarHBondContact O-CB 3.36Å; S447-S451 PolarHBondContact O-OG 3.31Å
448	E	70.8	Confident	68.7	Low	58 Å²	58	57.2 Å²	57.2	27%	0.271	30%	0.303	S	S	.	.	H	α-helix	trans	-80.4	-27.2	-175.2	-83.6	-161.3	135.9	0	0	113.9	K403 D444 F445 R468	K403-E448 VanDerWaalsContact CE-OE2 3.26Å; K403-E448 WeakPolarHBondContact CE-OE2 3.13Å; K403-E448 VanDerWaalsContact NZ-CD 3.34Å; K403-E448 IonicContact NZ-OE1 3.12Å; K403-E448 PolarHBondContact NZ-OE1 3.17Å; K403-E448 IonicContact NZ-OE2 2.88Å; K403-E448 PolarHBondContact NZ-OE2 3.31Å; D444-E448 WeakPolarHBondContact O-CB 2.9Å; D444-E448 VanDerWaalsContact O-CG 3.3Å; D444-E448 WeakPolarHBondContact O-CG 3.22Å; D444-E448 PolarHBondContact O-N 2.98Å; F445-E448 PolarHBondContact O-N 3Å; E448-R468 VanDerWaalsContact CB-NH2 3.3Å; E448-R468 PolarHBondContact O-NH2 3.45Å; E448-R468 IonicContact OE1-CZ 3.99Å; E448-R468 IonicContact OE1-NH1 3.94Å; E448-R468 PolarHBondContact OE1-NH1 2.85Å; E448-R468 IonicContact OE1-NH2 3.9Å; E448-R468 PolarHBondContact OE1-NH2 3.13Å; E448-R468 IonicContact OE2-CZ 3.99Å; E448-R468 IonicContact OE2-NH1 3.58Å; E448-R468 IonicContact OE2-NH2 2.7Å
449	H	71.3	Confident	67.4	Low	4 Å²	4	63.1 Å²	63.1	2%	0.019	32%	0.323	C	S	.	.	H	α-helix	trans	-114.8	-22.7	-171	-68.6	-97.1	0	0	0	114.1	F445 V466	F445-H449 HydrophobicContact CD2-CB 4.46Å; F445-H449 AromaticContact CD2-CD2 3.19Å; F445-H449 WeakPolarHBondContact CD2-CD2 3.26Å; F445-H449 AromaticContact CD2-CG 3.83Å; F445-H449 AromaticContact CD2-NE2 3.52Å; F445-H449 HydrophobicContact CE2-CB 4.26Å; F445-H449 AromaticContact CE2-CD2 3.51Å; F445-H449 AromaticContact CE2-CE1 3.99Å; F445-H449 AromaticContact CE2-CG 3.69Å; F445-H449 AromaticContact CE2-ND1 3.99Å; F445-H449 AromaticContact CE2-NE2 3.73Å; F445-H449 AromaticContact CG-CD2 3.97Å; F445-H449 HydrophobicContact CZ-CB 4.44Å; F445-H449 WeakPolarHBondContact O-CB 3.34Å; F445-H449 PolarHBondContact O-CD2 2.86Å; F445-H449 VanDerWaalsContact O-CD2 3.32Å; F445-H449 PolarHBondContact O-N 3.48Å; H449-V466 PolarHBondContact CE1-O 2.79Å; H449-V466 PolarHBondContact ND1-O 2.78Å
450	F	69.9	Low	65.8	Low	4 Å²	4	63.5 Å²	63.5	2%	0.018	32%	0.322	C	S	.	.	S	Bend	trans	-113.2	7.3	-179.5	-65.3	-88.8	0	0	0	114	L281 V294 Q295 F445 L446 F464 V466	L281-F450 HydrophobicContact CD2-CE1 4.5Å; V294-F450 HydrophobicContact CB-CD1 4.24Å; V294-F450 HydrophobicContact CG1-CD1 3.65Å; V294-F450 HydrophobicContact CG1-CE1 3.89Å; Q295-F450 HydrophobicContact CB-CB 3.82Å; Q295-F450 HydrophobicContact CG-CB 4.45Å; F445-F450 HydrophobicContact CD1-CE2 4.42Å; F445-F450 AromaticContact CE1-CE2 3.76Å; F445-F450 HydrophobicContact CE1-CE2 3.76Å; F445-F450 HydrophobicContact CZ-CE2 4.35Å; L446-F450 HydrophobicContact CD2-CD2 3.91Å; L446-F450 HydrophobicContact CD2-CE2 4.11Å; L446-F450 WeakPolarHBondContact O-CB 3.29Å; L446-F450 PolarHBondContact O-N 3.33Å; L446-F450 VanDerWaalsContact O-N 3.07Å; F450-F464 HydrophobicContact CB-CD1 4.33Å; F450-F464 HydrophobicContact CB-CE1 4.46Å; F450-F464 HydrophobicContact CD1-CD1 4.28Å; F450-F464 WeakPolarHBondContact O-CE1 3.19Å; F450-V466 HydrophobicContact CZ-CG1 4.39Å
451	S	64.3	Low	64.1	Low	52 Å²	52	63.5 Å²	63.5	36%	0.364	33%	0.327	S	S	.	.	S	Bend	trans	-67.4	134.3	170.4	37	0	0	0	0	110.9	Q295 S447 N453	Q295-S451 VanDerWaalsContact OE1-CA 3.24Å; S447-S451 WeakPolarHBondContact O-CB 3.36Å; S447-S451 PolarHBondContact O-OG 3.31Å; S451-N453 PolarHBondContact O-N 2.9Å
452	E	53.8	Low	62.7	Low	98 Å²	98	63.9 Å²	63.9	46%	0.458	33%	0.328	S	S	.	.			trans	-57.6	133.6	173.8	-90.5	179.9	-173.1	0	0	110.5	Q293	Q293-E452 HydrophobicContact CG-CG 4.33Å; Q293-E452 WeakPolarHBondContact CG-OE1 3.41Å; Q293-E452 PolarHBondContact NE2-OE1 2.89Å; Q293-E452 VanDerWaalsContact NE2-OE1 3.15Å; Q293-E452 PolarHBondContact NE2-OE2 2.78Å
453	N	54.8	Low	60.9	Low	60 Å²	60	68.5 Å²	68.5	32%	0.321	35%	0.347	S	S	.	.			trans	-127.9	92.4	173	-155.6	-15.2	0	0	0	107.2	S451 E455 L456 F457	S451-N453 PolarHBondContact O-N 2.9Å; N453-E455 PolarHBondContact O-N 2.72Å; N453-E455 VanDerWaalsContact O-N 3.14Å; N453-L456 HydrophobicContact CB-CB 4.17Å; N453-L456 HydrophobicContact CB-CD1 3.77Å; N453-L456 HydrophobicContact CB-CG 4.31Å; N453-L456 WeakPolarHBondContact O-CB 3.08Å; N453-L456 PolarHBondContact O-N 3.49Å; N453-F457 PolarHBondContact O-N 3.01Å
454	E	49.7	Very low	59.5	Low	153 Å²	153	68.6 Å²	68.6	72%	0.715	34%	0.341	S	S	*	.	H	α-helix	trans	-53.2	-33.7	-176.9	-68.3	179.3	159.1	0	0	111.5	L456 F457 D458	E454-L456 PolarHBondContact O-N 3.13Å; E454-F457 PolarHBondContact O-N 2.89Å; E454-D458 PolarHBondContact O-N 3.25Å; E454-D458 VanDerWaalsContact O-N 3.17Å
455	E	50.1	Low	58.7	Low	138 Å²	138	65.7 Å²	65.7	65%	0.645	33%	0.325	S	S	*	.	H	α-helix	trans	-67.2	-28.9	176.4	-63.7	-172.6	168	0	0	114.1	N453 R459	N453-E455 PolarHBondContact O-N 2.72Å; N453-E455 VanDerWaalsContact O-N 3.14Å; E455-R459 WeakPolarHBondContact O-CB 3.17Å; E455-R459 WeakPolarHBondContact O-CG 3.31Å; E455-R459 PolarHBondContact O-N 3.39Å
456	L	51.8	Low	57.7	Low	18 Å²	18	66.8 Å²	66.8	9%	0.094	33%	0.332	C	S	.	.	H	α-helix	trans	-76.2	-32.3	176	-91.2	165.3	0	0	0	112.1	N453 E454 K460 K462 N465 V481	N453-L456 HydrophobicContact CB-CB 4.17Å; N453-L456 HydrophobicContact CB-CD1 3.77Å; N453-L456 HydrophobicContact CB-CG 4.31Å; N453-L456 WeakPolarHBondContact O-CB 3.08Å; N453-L456 PolarHBondContact O-N 3.49Å; E454-L456 PolarHBondContact O-N 3.13Å; L456-K460 PolarHBondContact O-N 3.23Å; L456-K462 CarbonylContact C-O 3.59Å; L456-K462 VanDerWaalsContact C-O 3.29Å; L456-N465 HydrophobicContact CD1-CB 3.79Å; L456-V481 HydrophobicContact CD1-CG1 3.67Å; L456-V481 HydrophobicContact CD2-CG1 4.07Å; L456-V481 HydrophobicContact CD2-CG2 4.2Å; L456-V481 HydrophobicContact CG-CG1 3.8Å
457	F	47.8	Very low	57.1	Low	82 Å²	82	67.6 Å²	67.6	36%	0.36	34%	0.336	S	S	.	.	H	α-helix	trans	-68.9	-48.5	176.2	-176.5	-106	0	0	0	110.8	N453 E454 R459 G461 K462 Y463	N453-F457 PolarHBondContact O-N 3.01Å; E454-F457 PolarHBondContact O-N 2.89Å; F457-R459 VanDerWaalsContact C-N 3.32Å; F457-R459 PolarHBondContact O-N 3.39Å; F457-G461 WeakPolarHBondContact O-CA 3.21Å; F457-G461 PolarHBondContact O-N 2.91Å; F457-K462 PolarHBondContact N-O 2.92Å; F457-Y463 HydrophobicContact CB-CD1 4.27Å; F457-Y463 HydrophobicContact CB-CE1 4.35Å; F457-Y463 HydrophobicContact CD1-CE1 4.28Å; F457-Y463 AromaticContact CD2-CD1 3.64Å; F457-Y463 HydrophobicContact CD2-CD1 3.64Å; F457-Y463 AromaticContact CD2-CD2 3.91Å; F457-Y463 HydrophobicContact CD2-CD2 3.91Å; F457-Y463 AromaticContact CD2-CE1 3.28Å; F457-Y463 HydrophobicContact CD2-CE1 3.28Å; F457-Y463 AromaticContact CD2-CE2 3.58Å; F457-Y463 HydrophobicContact CD2-CE2 3.58Å; F457-Y463 AromaticContact CD2-CG 3.95Å; F457-Y463 HydrophobicContact CD2-CG 3.95Å; F457-Y463 AromaticContact CD2-CZ 3.27Å; F457-Y463 HydrophobicContact CE1-CE1 4.45Å; F457-Y463 HydrophobicContact CE2-CD1 4.28Å; F457-Y463 HydrophobicContact CE2-CD2 4.09Å; F457-Y463 AromaticContact CE2-CE1 3.55Å; F457-Y463 HydrophobicContact CE2-CE1 3.55Å; F457-Y463 AromaticContact CE2-CE2 3.31Å; F457-Y463 HydrophobicContact CE2-CE2 3.31Å; F457-Y463 AromaticContact CE2-CZ 3Å; F457-Y463 WeakPolarHBondContact CE2-OH 3.46Å; F457-Y463 HydrophobicContact CG-CD1 4.06Å; F457-Y463 AromaticContact CG-CE1 3.7Å; F457-Y463 HydrophobicContact CG-CE1 3.7Å; F457-Y463 HydrophobicContact CZ-CE1 4.11Å; F457-Y463 HydrophobicContact CZ-CE2 4.27Å; F457-Y463 AromaticContact CZ-CZ 3.61Å; F457-Y463 WeakPolarHBondContact CZ-OH 3.34Å
458	D	45.5	Very low	57.2	Low	138 Å²	138	67.3 Å²	67.3	74%	0.738	33%	0.326	S	S	*	.	H	α-helix	trans	-65.5	-31.9	179.5	-77.9	-17.1	0	0	0	113.1	E454	E454-D458 PolarHBondContact O-N 3.25Å; E454-D458 VanDerWaalsContact O-N 3.17Å
459	R	52.1	Low	57.7	Low	161 Å²	161	64.6 Å²	64.6	61%	0.608	31%	0.313	S	S	*	.	H	α-helix	trans	-86.4	-37.6	179.6	-72.4	-174.5	-180	-168.1	7.8	114.7	E455 F457 E478	E455-R459 WeakPolarHBondContact O-CB 3.17Å; E455-R459 WeakPolarHBondContact O-CG 3.31Å; E455-R459 PolarHBondContact O-N 3.39Å; F457-R459 VanDerWaalsContact C-N 3.32Å; F457-R459 PolarHBondContact O-N 3.39Å; R459-E478 IonicContact CZ-OE2 3.38Å; R459-E478 IonicContact NH1-OE2 3.52Å; R459-E478 PolarHBondContact NH1-OE2 3.41Å
460	K	49.3	Very low	58.2	Low	71 Å²	71	64.4 Å²	64.4	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-134.4	2.8	-166.9	-63.1	-167.1	-180	-173.5	0	115	L456 K462 E476	L456-K460 PolarHBondContact O-N 3.23Å; K460-K462 PolarHBondContact O-N 3.43Å; K460-E476 IonicContact NZ-OE1 3.79Å; K460-E476 PolarHBondContact NZ-OE1 3.17Å; K460-E476 IonicContact NZ-OE2 3.03Å; K460-E476 PolarHBondContact NZ-OE2 3.2Å
461	G	48.2	Very low	58.9	Low	47 Å²	47	64.9 Å²	64.9	49%	0.485	31%	0.314	S	S	.	.	S	Bend	trans	63.1	19	-178.7	0	0	0	0	0	114.2	F457	F457-G461 WeakPolarHBondContact O-CA 3.21Å; F457-G461 PolarHBondContact O-N 2.91Å
462	K	52.4	Low	60	Low	72 Å²	72	62.4 Å²	62.4	31%	0.313	30%	0.297	S	S	.	.			trans	-116.3	129.8	178.5	-69.5	-170	175.8	-161.9	0	109.7	D278 L456 F457 K460	D278-K462 IonicContact OD1-NZ 2.77Å; D278-K462 PolarHBondContact OD1-NZ 3.35Å; D278-K462 IonicContact OD2-NZ 2.94Å; D278-K462 PolarHBondContact OD2-NZ 3.2Å; L456-K462 CarbonylContact C-O 3.59Å; L456-K462 VanDerWaalsContact C-O 3.29Å; F457-K462 PolarHBondContact N-O 2.92Å; K460-K462 PolarHBondContact O-N 3.43Å
463	Y	48	Very low	61.6	Low	99 Å²	99	57.9 Å²	57.9	39%	0.388	28%	0.276	S	S	.	.	S	Bend	trans	-82.5	-16.1	-178.7	-69.8	-81.5	0	0	0	114.3	V285 F457	V285-Y463 HydrophobicContact CG1-CD2 3.76Å; V285-Y463 HydrophobicContact CG1-CE2 4.33Å; V285-Y463 HydrophobicContact CG1-CG 4.41Å; F457-Y463 HydrophobicContact CB-CD1 4.27Å; F457-Y463 HydrophobicContact CB-CE1 4.35Å; F457-Y463 HydrophobicContact CD1-CE1 4.28Å; F457-Y463 AromaticContact CD2-CD1 3.64Å; F457-Y463 HydrophobicContact CD2-CD1 3.64Å; F457-Y463 AromaticContact CD2-CD2 3.91Å; F457-Y463 HydrophobicContact CD2-CD2 3.91Å; F457-Y463 AromaticContact CD2-CE1 3.28Å; F457-Y463 HydrophobicContact CD2-CE1 3.28Å; F457-Y463 AromaticContact CD2-CE2 3.58Å; F457-Y463 HydrophobicContact CD2-CE2 3.58Å; F457-Y463 AromaticContact CD2-CG 3.95Å; F457-Y463 HydrophobicContact CD2-CG 3.95Å; F457-Y463 AromaticContact CD2-CZ 3.27Å; F457-Y463 HydrophobicContact CE1-CE1 4.45Å; F457-Y463 HydrophobicContact CE2-CD1 4.28Å; F457-Y463 HydrophobicContact CE2-CD2 4.09Å; F457-Y463 AromaticContact CE2-CE1 3.55Å; F457-Y463 HydrophobicContact CE2-CE1 3.55Å; F457-Y463 AromaticContact CE2-CE2 3.31Å; F457-Y463 HydrophobicContact CE2-CE2 3.31Å; F457-Y463 AromaticContact CE2-CZ 3Å; F457-Y463 WeakPolarHBondContact CE2-OH 3.46Å; F457-Y463 HydrophobicContact CG-CD1 4.06Å; F457-Y463 AromaticContact CG-CE1 3.7Å; F457-Y463 HydrophobicContact CG-CE1 3.7Å; F457-Y463 HydrophobicContact CZ-CE1 4.11Å; F457-Y463 HydrophobicContact CZ-CE2 4.27Å; F457-Y463 AromaticContact CZ-CZ 3.61Å; F457-Y463 WeakPolarHBondContact CZ-OH 3.34Å
464	F	55.1	Low	62.9	Low	32 Å²	32	57.8 Å²	57.8	14%	0.14	27%	0.273	C	S	.	.			trans	-137	142.4	-171.4	-52.8	-72.7	0	0	0	112.1	V285 V294 F450 V466	V285-F464 HydrophobicContact CB-CE2 4.3Å; V285-F464 HydrophobicContact CG1-CE2 3.89Å; V285-F464 HydrophobicContact CG2-CD2 3.94Å; V285-F464 HydrophobicContact CG2-CE2 3.4Å; V285-F464 VanDerWaalsContact CG2-CE2 3.4Å; V285-F464 HydrophobicContact CG2-CZ 4.44Å; V294-F464 HydrophobicContact CB-CE1 4.44Å; V294-F464 HydrophobicContact CB-CZ 3.97Å; V294-F464 HydrophobicContact CG2-CE2 4.05Å; V294-F464 HydrophobicContact CG2-CZ 3.8Å; F450-F464 HydrophobicContact CB-CD1 4.33Å; F450-F464 HydrophobicContact CB-CE1 4.46Å; F450-F464 HydrophobicContact CD1-CD1 4.28Å; F450-F464 WeakPolarHBondContact O-CE1 3.19Å; F464-V466 HydrophobicContact CB-CG2 3.79Å
465	N	60.9	Low	64.4	Low	30 Å²	30	54.5 Å²	54.5	16%	0.16	26%	0.26	C	S	.	.			trans	-106.3	76.7	167	-165.1	16.8	0	0	0	109.2	L456 E467	L456-N465 HydrophobicContact CD1-CB 3.79Å; N465-E467 PolarHBondContact O-N 3.38Å; N465-E467 VanDerWaalsContact O-N 3.12Å; N465-E467 PolarHBondContact OD1-O 2.74Å
466	V	60.3	Low	65.7	Low	25 Å²	25	51.4 Å²	51.4	15%	0.152	25%	0.246	C	C	.	.			trans	-66.3	-16.4	-171.6	-170	0	0	0	0	111.9	M277 L281 F408 H449 F450 F464	M277-V466 HydrophobicContact CE-CB 4.33Å; M277-V466 HydrophobicContact CE-CG1 3.37Å; L281-V466 HydrophobicContact CD1-CG1 4.22Å; F408-V466 HydrophobicContact CZ-CG1 4.43Å; F408-V466 WeakPolarHBondContact CZ-O 3.21Å; H449-V466 PolarHBondContact CE1-O 2.79Å; H449-V466 PolarHBondContact ND1-O 2.78Å; F450-V466 HydrophobicContact CZ-CG1 4.39Å; F464-V466 HydrophobicContact CB-CG2 3.79Å
467	E	68.2	Low	66.7	Low	17 Å²	17	56 Å²	56	8%	0.079	27%	0.271	C	S	.	.			trans	-137.2	132.4	179.5	70	75.3	-164.1	0	0	111.4	W270 N465 V469 G470	W270-E467 WeakPolarHBondContact CZ2-OE1 3.42Å; W270-E467 VanDerWaalsContact NE1-CD 3.27Å; W270-E467 PolarHBondContact NE1-OE1 2.82Å; N465-E467 PolarHBondContact O-N 3.38Å; N465-E467 VanDerWaalsContact O-N 3.12Å; N465-E467 PolarHBondContact OD1-O 2.74Å; E467-V469 WeakPolarHBondContact OE2-CA 3.16Å; E467-V469 PolarHBondContact OE2-N 3.1Å; E467-G470 VanDerWaalsContact CD-N 3.28Å; E467-G470 WeakPolarHBondContact OE1-CA 3.43Å; E467-G470 PolarHBondContact OE1-N 3.5Å; E467-G470 VanDerWaalsContact OE1-N 3.11Å; E467-G470 PolarHBondContact OE2-N 3.28Å
468	R	76.6	Confident	68	Low	55 Å²	55	55.9 Å²	55.9	21%	0.208	27%	0.271	C	S	.	.	S	Bend	trans	-93.5	0.3	-174.8	-68.5	-172.1	177.2	176	-2.8	113.7	V400 E448 Q471 Y472	V400-R468 HydrophobicContact CG1-CB 3.9Å; E448-R468 VanDerWaalsContact CB-NH2 3.3Å; E448-R468 PolarHBondContact O-NH2 3.45Å; E448-R468 IonicContact OE1-CZ 3.99Å; E448-R468 IonicContact OE1-NH1 3.94Å; E448-R468 PolarHBondContact OE1-NH1 2.85Å; E448-R468 IonicContact OE1-NH2 3.9Å; E448-R468 PolarHBondContact OE1-NH2 3.13Å; E448-R468 IonicContact OE2-CZ 3.99Å; E448-R468 IonicContact OE2-NH1 3.58Å; E448-R468 IonicContact OE2-NH2 2.7Å; R468-Q471 WeakPolarHBondContact O-CG 3.41Å; R468-Q471 PolarHBondContact O-NE2 3Å; R468-Q471 VanDerWaalsContact O-NE2 3.09Å; R468-Y472 WeakPolarHBondContact O-CD2 3.5Å
469	V	82.8	Confident	69.8	Low	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-87.5	-37.8	-176.1	165.6	0	0	0	0	110.9	Y335 L397 V400 I401 E467 Q471 Y472 L473	Y335-V469 HydrophobicContact CE1-CB 4.28Å; Y335-V469 HydrophobicContact CE1-CG2 3.75Å; L397-V469 HydrophobicContact CD1-CG1 4.16Å; L397-V469 HydrophobicContact CD1-CG2 4.49Å; V400-V469 HydrophobicContact CG1-CG2 4.04Å; I401-V469 HydrophobicContact CG1-CG1 4.35Å; I401-V469 HydrophobicContact CG1-CG2 3.71Å; E467-V469 WeakPolarHBondContact OE2-CA 3.16Å; E467-V469 PolarHBondContact OE2-N 3.1Å; V469-Q471 VanDerWaalsContact C-N 3.27Å; V469-Q471 PolarHBondContact O-N 3.37Å; V469-Y472 WeakPolarHBondContact O-CB 3.42Å; V469-Y472 PolarHBondContact O-N 2.94Å; V469-L473 HydrophobicContact CG1-CD1 3.96Å; V469-L473 HydrophobicContact CG1-CG 4.47Å; V469-L473 PolarHBondContact O-N 3.29Å
470	G	81.3	Confident	71.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-21.3	-179	0	0	0	0	0	114.4	W270 E467 Y472 L473 K474	W270-G470 VanDerWaalsContact CZ2-CA 3.4Å; E467-G470 VanDerWaalsContact CD-N 3.28Å; E467-G470 WeakPolarHBondContact OE1-CA 3.43Å; E467-G470 PolarHBondContact OE1-N 3.5Å; E467-G470 VanDerWaalsContact OE1-N 3.11Å; E467-G470 PolarHBondContact OE2-N 3.28Å; G470-Y472 PolarHBondContact O-N 2.97Å; G470-L473 PolarHBondContact O-N 2.79Å; G470-K474 WeakPolarHBondContact O-CA 3.43Å; G470-K474 VanDerWaalsContact O-CD 3.32Å; G470-K474 WeakPolarHBondContact O-CD 3.42Å; G470-K474 VanDerWaalsContact O-CG 3.24Å; G470-K474 WeakPolarHBondContact O-CG 3.45Å; G470-K474 PolarHBondContact O-N 2.88Å
471	Q	83.9	Confident	72.5	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.065	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-22.5	169.2	56.5	173.8	-3.5	0	0	112.8	R468 V469 L480 S482	R468-Q471 WeakPolarHBondContact O-CG 3.41Å; R468-Q471 PolarHBondContact O-NE2 3Å; R468-Q471 VanDerWaalsContact O-NE2 3.09Å; V469-Q471 VanDerWaalsContact C-N 3.27Å; V469-Q471 PolarHBondContact O-N 3.37Å; Q471-L480 HydrophobicContact CB-CD2 3.8Å; Q471-L480 HydrophobicContact CG-CD2 3.88Å; Q471-L480 WeakPolarHBondContact O-CD2 3.36Å; Q471-S482 PolarHBondContact NE2-O 2.96Å; Q471-S482 PolarHBondContact NE2-OG 2.8Å; Q471-S482 PolarHBondContact OE1-O 2.77Å; Q471-S482 PolarHBondContact OE1-OG 2.84Å
472	Y	87.6	Confident	73.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-84.2	-34.4	173.1	-68.1	-102.1	0	0	0	112.1	K393 E396 L397 V400 R468 V469 G470 L480 P484 L516 H517	K393-Y472 HydrophobicContact CD-CD1 4.47Å; K393-Y472 HydrophobicContact CD-CE1 4.14Å; K393-Y472 VanDerWaalsContact CE-CE1 3.44Å; E396-Y472 HydrophobicContact CG-CE1 4.35Å; E396-Y472 WeakPolarHBondContact OE1-CE1 3.46Å; E396-Y472 PolarHBondContact OE1-OH 2.96Å; L397-Y472 HydrophobicContact CB-CD1 4.37Å; L397-Y472 HydrophobicContact CD1-CD1 4.42Å; L397-Y472 HydrophobicContact CD1-CD2 4.07Å; L397-Y472 HydrophobicContact CD1-CG 3.88Å; V400-Y472 HydrophobicContact CB-CE2 4.5Å; V400-Y472 HydrophobicContact CG1-CE2 4.33Å; V400-Y472 HydrophobicContact CG2-CE2 4.05Å; R468-Y472 WeakPolarHBondContact O-CD2 3.5Å; V469-Y472 WeakPolarHBondContact O-CB 3.42Å; V469-Y472 PolarHBondContact O-N 2.94Å; G470-Y472 PolarHBondContact O-N 2.97Å; Y472-L480 HydrophobicContact CE1-CD1 4.06Å; Y472-L480 HydrophobicContact CE2-CD1 4.24Å; Y472-P484 WeakPolarHBondContact OH-CD 3.28Å; Y472-L516 WeakPolarHBondContact O-CB 3.46Å; Y472-L516 PolarHBondContact O-N 2.88Å; Y472-L516 VanDerWaalsContact O-N 3.14Å; Y472-H517 PolarHBondContact O-ND1 2.82Å
473	L	87.4	Confident	75.3	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-88.1	-14.3	-178.1	-54.3	179.7	0	0	0	113.1	L263 M266 W270 L397 V469 G470 D475 H517	L263-L473 HydrophobicContact CD1-CD2 3.85Å; M266-L473 HydrophobicContact CB-CD2 4.5Å; M266-L473 HydrophobicContact CE-CD2 3.92Å; W270-L473 HydrophobicContact CB-CD1 3.48Å; W270-L473 VanDerWaalsContact CB-CD1 3.48Å; W270-L473 HydrophobicContact CD2-CB 4.35Å; W270-L473 HydrophobicContact CD2-CD1 4.25Å; W270-L473 HydrophobicContact CE3-CB 4.33Å; W270-L473 HydrophobicContact CG-CD1 3.66Å; L397-L473 HydrophobicContact CD2-CD2 4.28Å; V469-L473 HydrophobicContact CG1-CD1 3.96Å; V469-L473 HydrophobicContact CG1-CG 4.47Å; V469-L473 PolarHBondContact O-N 3.29Å; G470-L473 PolarHBondContact O-N 2.79Å; L473-D475 PolarHBondContact O-N 2.88Å; L473-H517 PolarHBondContact O-CE1 2.84Å; L473-H517 PolarHBondContact O-ND1 2.82Å; L473-H517 VanDerWaalsContact O-ND1 3.13Å
474	K	82.5	Confident	76.8	Confident	57 Å²	57	40.8 Å²	40.8	25%	0.248	21%	0.214	C	C	.	.			trans	-43.5	107.3	159.9	50.1	79.5	176.1	-175.1	0	112.2	W270 G470 E476	W270-K474 HydrophobicContact CH2-CD 4.12Å; W270-K474 VanDerWaalsContact CH2-CE 3.47Å; W270-K474 HydrophobicContact CH2-CG 3.37Å; W270-K474 HydrophobicContact CZ2-CG 4.09Å; W270-K474 HydrophobicContact CZ3-CG 3.94Å; G470-K474 WeakPolarHBondContact O-CA 3.43Å; G470-K474 VanDerWaalsContact O-CD 3.32Å; G470-K474 WeakPolarHBondContact O-CD 3.42Å; G470-K474 VanDerWaalsContact O-CG 3.24Å; G470-K474 WeakPolarHBondContact O-CG 3.45Å; G470-K474 PolarHBondContact O-N 2.88Å; K474-E476 PolarHBondContact O-N 3.46Å
475	D	80.6	Confident	77.8	Confident	85 Å²	85	45.3 Å²	45.3	46%	0.455	24%	0.24	S	C	.	.			trans	-79.7	52.8	168.7	-160.3	38.3	0	0	0	111.8	L473 H517 R521	L473-D475 PolarHBondContact O-N 2.88Å; D475-H517 VanDerWaalsContact OD1-CB 3.31Å; D475-H517 WeakPolarHBondContact OD1-CB 3.44Å; D475-H517 IonicContact OD1-CD2 2.7Å; D475-H517 PolarHBondContact OD1-CD2 3.07Å; D475-H517 IonicContact OD1-CG 3.12Å; D475-R521 PolarHBondContact O-NH2 3.27Å; D475-R521 IonicContact OD1-CZ 2.61Å; D475-R521 IonicContact OD1-NE 2.57Å; D475-R521 PolarHBondContact OD1-NE 3.1Å; D475-R521 IonicContact OD1-NH2 2.75Å; D475-R521 PolarHBondContact OD1-NH2 2.98Å; D475-R521 IonicContact OD2-CZ 2.76Å; D475-R521 IonicContact OD2-NH2 3.49Å; D475-R521 PolarHBondContact OD2-NH2 3.14Å
476	E	76.8	Confident	78.5	Confident	73 Å²	73	47 Å²	47	34%	0.341	25%	0.251	S	S	.	.			trans	-118	148.4	179.8	-63.7	175.3	-168.5	0	0	110.1	K460 K474 E478	K460-E476 IonicContact NZ-OE1 3.79Å; K460-E476 PolarHBondContact NZ-OE1 3.17Å; K460-E476 IonicContact NZ-OE2 3.03Å; K460-E476 PolarHBondContact NZ-OE2 3.2Å; K474-E476 PolarHBondContact O-N 3.46Å; E476-E478 PolarHBondContact O-N 2.83Å
477	D	73.8	Confident	79.1	Confident	115 Å²	115	54.6 Å²	54.6	62%	0.615	28%	0.282	S	S	*	.	S	Bend	trans	-79.8	-3.3	177.2	-69.9	-33.6	0	0	0	113.4	R521	D477-R521 IonicContact OD1-NH1 3.68Å; D477-R521 PolarHBondContact OD1-NH1 3.47Å
478	E	74.3	Confident	79.6	Confident	79 Å²	79	56 Å²	56	37%	0.369	30%	0.302	S	S	.	.	S	Bend	trans	-68.1	150.6	177.1	-64.6	-165.8	-164.6	0	0	111.9	R459 E476	R459-E478 IonicContact CZ-OE2 3.38Å; R459-E478 IonicContact NH1-OE2 3.52Å; R459-E478 PolarHBondContact NH1-OE2 3.41Å; E476-E478 PolarHBondContact O-N 2.83Å
479	D	84	Confident	80	Confident	83 Å²	83	57.2 Å²	57.2	44%	0.444	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-67.5	155.1	172.1	-71.4	-28.6	0	0	0	111	V481 Q513 K514	D479-V481 PolarHBondContact O-N 2.87Å; D479-Q513 CarbonylContact C-O 3.57Å; D479-Q513 VanDerWaalsContact CA-O 3.29Å; D479-Q513 WeakPolarHBondContact CA-O 3.38Å; D479-Q513 HydrophobicContact CB-CB 4.41Å; D479-K514 WeakPolarHBondContact OD1-CD 3.43Å; D479-K514 VanDerWaalsContact OD1-CE 3.27Å; D479-K514 WeakPolarHBondContact OD1-CE 3.17Å; D479-K514 IonicContact OD1-NZ 2.95Å; D479-K514 PolarHBondContact OD1-NZ 3.32Å
480	L	82.4	Confident	80.4	Confident	10 Å²	10	65.2 Å²	65.2	5%	0.052	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-55.5	130	174.8	-65.7	-176.7	0	0	0	110	Q471 Y472 S482 P483 P512 Q513 K514	Q471-L480 HydrophobicContact CB-CD2 3.8Å; Q471-L480 HydrophobicContact CG-CD2 3.88Å; Q471-L480 WeakPolarHBondContact O-CD2 3.36Å; Y472-L480 HydrophobicContact CE1-CD1 4.06Å; Y472-L480 HydrophobicContact CE2-CD1 4.24Å; L480-S482 VanDerWaalsContact C-N 3.32Å; L480-S482 PolarHBondContact O-N 3.46Å; L480-P483 HydrophobicContact CB-CB 4.43Å; L480-P512 WeakPolarHBondContact CD1-O 3.44Å; L480-Q513 PolarHBondContact N-O 2.79Å; L480-K514 WeakPolarHBondContact CD1-O 3.2Å
481	V	76.6	Confident	80.8	Confident	59 Å²	59	71.4 Å²	71.4	36%	0.358	37%	0.373	S	S	.	.	S	Bend	trans	-66.7	-36.7	178.6	-177.4	0	0	0	0	111.3	L456 D479	L456-V481 HydrophobicContact CD1-CG1 3.67Å; L456-V481 HydrophobicContact CD2-CG1 4.07Å; L456-V481 HydrophobicContact CD2-CG2 4.2Å; L456-V481 HydrophobicContact CG-CG1 3.8Å; D479-V481 PolarHBondContact O-N 2.87Å
482	S	76.4	Confident	81	Confident	31 Å²	31	72.6 Å²	72.6	22%	0.217	38%	0.38	C	S	.	.	S	Bend	trans	-134.5	81.3	176.5	57.6	0	0	0	0	110.9	Q471 L480	Q471-S482 PolarHBondContact NE2-O 2.96Å; Q471-S482 PolarHBondContact NE2-OG 2.8Å; Q471-S482 PolarHBondContact OE1-O 2.77Å; Q471-S482 PolarHBondContact OE1-OG 2.84Å; L480-S482 VanDerWaalsContact C-N 3.32Å; L480-S482 PolarHBondContact O-N 3.46Å
483	P	81.1	Confident	81	Confident	45 Å²	45	77.9 Å²	77.9	29%	0.292	40%	0.403	S	S	.	.			trans	-62.8	151.9	177.1	31	-40.4	0	0	0	111	L480 Q513	L480-P483 HydrophobicContact CB-CB 4.43Å; P483-Q513 VanDerWaalsContact CB-OE1 3.29Å
484	P	79.6	Confident	81.1	Confident	43 Å²	43	83.1 Å²	83.1	28%	0.279	43%	0.425	S	S	.	.			trans	-64	139.9	177.7	25.2	-29.7	0	0	0	110.4	E396 Y472 T486	E396-P484 HydrophobicContact CG-CG 3.92Å; E396-P484 WeakPolarHBondContact OE1-CG 3.26Å; Y472-P484 WeakPolarHBondContact OH-CD 3.28Å; P484-T486 PolarHBondContact O-N 3.4Å
485	N	77	Confident	81.4	Confident	127 Å²	127	82 Å²	82	68%	0.679	42%	0.422	S	S	*	.			trans	-70.5	105.9	-178.8	-173.9	10.3	0	0	0	110.6	K487	N485-K487 VanDerWaalsContact C-N 3.3Å; N485-K487 WeakPolarHBondContact OD1-CB 3.46Å; N485-K487 VanDerWaalsContact OD1-CG 3.29Å; N485-K487 WeakPolarHBondContact OD1-CG 3.49Å; N485-K487 PolarHBondContact OD1-N 3.33Å
486	T	76.2	Confident	81.7	Confident	66 Å²	66	84.4 Å²	84.4	41%	0.405	43%	0.431	S	S	.	.			trans	-82.1	-8.4	176.8	53.3	0	0	0	0	113.1	P484 G488 N489 L492	P484-T486 PolarHBondContact O-N 3.4Å; T486-G488 PolarHBondContact O-N 2.89Å; T486-G488 VanDerWaalsContact O-N 3.11Å; T486-N489 PolarHBondContact O-N 2.75Å; T486-L492 HydrophobicContact CG2-CD1 3.74Å
487	K	72	Confident	82.3	Confident	183 Å²	183	88.3 Å²	88.3	80%	0.796	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	111	-179.7	-61.1	178.9	179.4	177.1	0	109.8	N485	N485-K487 VanDerWaalsContact C-N 3.3Å; N485-K487 WeakPolarHBondContact OD1-CB 3.46Å; N485-K487 VanDerWaalsContact OD1-CG 3.29Å; N485-K487 WeakPolarHBondContact OD1-CG 3.49Å; N485-K487 PolarHBondContact OD1-N 3.33Å
488	G	77.9	Confident	83.1	Confident	48 Å²	48	84 Å²	84	50%	0.495	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	120.3	-15.3	178.6	0	0	0	0	0	114.1	T486 Q490	T486-G488 PolarHBondContact O-N 2.89Å; T486-G488 VanDerWaalsContact O-N 3.11Å; G488-Q490 PolarHBondContact O-N 3.15Å
489	N	86.5	Confident	83.8	Confident	79 Å²	79	84.9 Å²	84.9	42%	0.422	44%	0.438	S	S	.	.			trans	-68.7	115.8	175.5	-172.3	-44.4	0	0	0	110.5	T486 W491 L492 K493	T486-N489 PolarHBondContact O-N 2.75Å; N489-W491 VanDerWaalsContact C-N 3.34Å; N489-W491 PolarHBondContact O-N 3.33Å; N489-W491 WeakPolarHBondContact OD1-CB 3.3Å; N489-W491 PolarHBondContact OD1-N 3.24Å; N489-L492 HydrophobicContact CB-CB 4.21Å; N489-L492 HydrophobicContact CB-CD1 3.99Å; N489-L492 HydrophobicContact CB-CG 4.15Å; N489-L492 PolarHBondContact O-N 3.43Å; N489-L492 PolarHBondContact OD1-N 2.84Å; N489-K493 WeakPolarHBondContact O-CG 3.35Å; N489-K493 PolarHBondContact O-N 3.23Å
490	Q	90.8	Very high	84	Confident	169 Å²	169	90.4 Å²	90.4	79%	0.79	45%	0.454	S	S	*	.	H	α-helix	trans	-64.2	-37.2	-177.1	-67.4	179.1	-10.4	0	0	112.4	G488 K493 F494	G488-Q490 PolarHBondContact O-N 3.15Å; Q490-K493 PolarHBondContact O-N 2.97Å; Q490-F494 WeakPolarHBondContact O-CB 3.3Å; Q490-F494 PolarHBondContact O-N 2.85Å
491	W	90.1	Very high	84.3	Confident	129 Å²	129	92.2 Å²	92.2	49%	0.489	46%	0.464	S	S	.	.	H	α-helix	trans	-64.8	-45.7	178.4	172.2	-111.7	0	0	0	111.6	N489 K493 F494 L495 L507	N489-W491 VanDerWaalsContact C-N 3.34Å; N489-W491 PolarHBondContact O-N 3.33Å; N489-W491 WeakPolarHBondContact OD1-CB 3.3Å; N489-W491 PolarHBondContact OD1-N 3.24Å; W491-K493 VanDerWaalsContact C-N 3.35Å; W491-K493 PolarHBondContact O-N 3.49Å; W491-F494 HydrophobicContact CE3-CD1 4.29Å; W491-F494 HydrophobicContact CZ3-CD1 4.09Å; W491-F494 HydrophobicContact CZ3-CE1 4.48Å; W491-F494 PolarHBondContact O-N 3.31Å; W491-L495 WeakPolarHBondContact O-CB 3.47Å; W491-L495 PolarHBondContact O-N 3.15Å; W491-L507 HydrophobicContact CZ2-CD1 4.19Å; W491-L507 HydrophobicContact CZ2-CD2 4.25Å
492	L	86.8	Confident	84.7	Confident	39 Å²	39	95.3 Å²	95.3	20%	0.204	47%	0.473	C	S	.	.	H	α-helix	trans	-65.5	-38.1	179.2	-67.5	178.1	0	0	0	112.2	T486 N489 L495 Q496	T486-L492 HydrophobicContact CG2-CD1 3.74Å; N489-L492 HydrophobicContact CB-CB 4.21Å; N489-L492 HydrophobicContact CB-CD1 3.99Å; N489-L492 HydrophobicContact CB-CG 4.15Å; N489-L492 PolarHBondContact O-N 3.43Å; N489-L492 PolarHBondContact OD1-N 2.84Å; L492-L495 PolarHBondContact O-N 3.12Å; L492-Q496 WeakPolarHBondContact O-CB 3.49Å; L492-Q496 VanDerWaalsContact O-CG 3.28Å; L492-Q496 WeakPolarHBondContact O-CG 3.3Å; L492-Q496 PolarHBondContact O-N 2.66Å
493	K	87.8	Confident	85.2	Confident	112 Å²	112	99.7 Å²	99.7	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-49.1	173.3	-71.7	-179.3	-179.6	-177.3	0	111.2	N489 Q490 W491 L495 Q496 E497	N489-K493 WeakPolarHBondContact O-CG 3.35Å; N489-K493 PolarHBondContact O-N 3.23Å; Q490-K493 PolarHBondContact O-N 2.97Å; W491-K493 VanDerWaalsContact C-N 3.35Å; W491-K493 PolarHBondContact O-N 3.49Å; K493-L495 VanDerWaalsContact C-N 3.34Å; K493-L495 PolarHBondContact O-N 2.84Å; K493-Q496 PolarHBondContact O-N 3Å; K493-Q496 VanDerWaalsContact O-N 3.17Å; K493-E497 WeakPolarHBondContact O-CG 3.33Å; K493-E497 PolarHBondContact O-N 2.58Å
494	F	90.8	Very high	85.6	Confident	113 Å²	113	99.1 Å²	99.1	50%	0.496	50%	0.495	S	S	.	.	H	α-helix	trans	-61.1	-41.7	178.1	-178.1	-109.7	0	0	0	112.6	Q490 W491 Q496 E497 S498 L501	Q490-F494 WeakPolarHBondContact O-CB 3.3Å; Q490-F494 PolarHBondContact O-N 2.85Å; W491-F494 HydrophobicContact CE3-CD1 4.29Å; W491-F494 HydrophobicContact CZ3-CD1 4.09Å; W491-F494 HydrophobicContact CZ3-CE1 4.48Å; W491-F494 PolarHBondContact O-N 3.31Å; F494-Q496 VanDerWaalsContact C-N 3.34Å; F494-Q496 PolarHBondContact O-N 2.67Å; F494-E497 PolarHBondContact O-N 2.86Å; F494-S498 WeakPolarHBondContact O-CB 3.44Å; F494-S498 PolarHBondContact O-N 3.4Å; F494-L501 HydrophobicContact CD1-CD1 3.88Å; F494-L501 HydrophobicContact CE1-CD1 3.32Å; F494-L501 HydrophobicContact CZ-CD1 4.1Å
495	L	88.5	Confident	85.8	Confident	35 Å²	35	102.3 Å²	102.3	18%	0.183	52%	0.516	C	S	.	.	H	α-helix	trans	-64	-39.2	175.7	-175.6	63.7	0	0	0	111.7	W491 L492 K493 E497 L501 K502 L507	W491-L495 WeakPolarHBondContact O-CB 3.47Å; W491-L495 PolarHBondContact O-N 3.15Å; L492-L495 PolarHBondContact O-N 3.12Å; K493-L495 VanDerWaalsContact C-N 3.34Å; K493-L495 PolarHBondContact O-N 2.84Å; L495-E497 VanDerWaalsContact C-N 3.33Å; L495-L501 HydrophobicContact CD1-CB 3.68Å; L495-K502 WeakPolarHBondContact O-CE 3.48Å; L495-K502 VanDerWaalsContact O-CG 3.24Å; L495-K502 WeakPolarHBondContact O-CG 3.47Å; L495-L507 HydrophobicContact CD1-CD1 3.81Å
496	Q	86.1	Confident	86.3	Confident	135 Å²	135	103.2 Å²	103.2	63%	0.631	52%	0.52	S	S	*	.	H	α-helix	trans	-71	-25.5	176.6	-76.1	179.5	-0.3	0	0	113.5	L492 K493 F494 K502	L492-Q496 WeakPolarHBondContact O-CB 3.49Å; L492-Q496 VanDerWaalsContact O-CG 3.28Å; L492-Q496 WeakPolarHBondContact O-CG 3.3Å; L492-Q496 PolarHBondContact O-N 2.66Å; K493-Q496 PolarHBondContact O-N 3Å; K493-Q496 VanDerWaalsContact O-N 3.17Å; F494-Q496 VanDerWaalsContact C-N 3.34Å; F494-Q496 PolarHBondContact O-N 2.67Å; Q496-K502 VanDerWaalsContact CA-CE 3.46Å; Q496-K502 WeakPolarHBondContact O-CE 3.4Å; Q496-K502 PolarHBondContact O-NZ 2.8Å
497	E	89.8	Confident	87	Confident	155 Å²	155	102.7 Å²	102.7	72%	0.724	51%	0.514	S	S	*	.	H	α-helix	trans	-88.1	-28.4	178.2	-71.2	170.3	-171.7	0	0	112.4	K493 F494 L495	K493-E497 WeakPolarHBondContact O-CG 3.33Å; K493-E497 PolarHBondContact O-N 2.58Å; F494-E497 PolarHBondContact O-N 2.86Å; L495-E497 VanDerWaalsContact C-N 3.33Å
498	S	91.7	Very high	88	Confident	24 Å²	24	98 Å²	98	17%	0.168	49%	0.494	C	S	.	.			trans	-76	137.6	179.5	-177.2	0	0	0	0	113	F494 L501 K502	F494-S498 WeakPolarHBondContact O-CB 3.44Å; F494-S498 PolarHBondContact O-N 3.4Å; S498-L501 WeakPolarHBondContact OG-CB 3.46Å; S498-L501 WeakPolarHBondContact OG-CG 3.45Å; S498-L501 PolarHBondContact OG-N 2.99Å; S498-K502 WeakPolarHBondContact O-CD 3.3Å; S498-K502 WeakPolarHBondContact O-CE 3.38Å; S498-K502 VanDerWaalsContact O-CG 3.31Å; S498-K502 WeakPolarHBondContact O-CG 3.49Å
499	T	88.8	Confident	88.5	Confident	97 Å²	97	98 Å²	98	60%	0.595	49%	0.485	S	S	*	.	H	α-helix	trans	-81.7	-45.2	174.9	47.3	0	0	0	0	112.3
500	Y	88.3	Confident	88.5	Confident	199 Å²	199	97.4 Å²	97.4	78%	0.78	49%	0.487	S	S	*	.	H	α-helix	trans	-78.2	-34.5	-173.9	-57.2	-72.6	0	0	0	113.1	K502 V503 S504	Y500-K502 VanDerWaalsContact C-N 3.34Å; Y500-K502 PolarHBondContact O-N 3.14Å; Y500-V503 PolarHBondContact O-N 3.41Å; Y500-S504 PolarHBondContact O-N 2.92Å; Y500-S504 VanDerWaalsContact O-N 3.15Å
501	L	88.7	Confident	88.4	Confident	49 Å²	49	93 Å²	93	26%	0.257	46%	0.464	S	S	.	.	H	α-helix	trans	-69.3	-33.7	-178.5	-66.7	174.1	0	0	0	112	F494 L495 S498 V503 S504 L507	F494-L501 HydrophobicContact CD1-CD1 3.88Å; F494-L501 HydrophobicContact CE1-CD1 3.32Å; F494-L501 HydrophobicContact CZ-CD1 4.1Å; L495-L501 HydrophobicContact CD1-CB 3.68Å; S498-L501 WeakPolarHBondContact OG-CB 3.46Å; S498-L501 WeakPolarHBondContact OG-CG 3.45Å; S498-L501 PolarHBondContact OG-N 2.99Å; L501-V503 PolarHBondContact O-N 3.19Å; L501-S504 WeakPolarHBondContact O-CB 3.31Å; L501-S504 PolarHBondContact O-N 3.19Å; L501-L507 HydrophobicContact CB-CD1 4.13Å; L501-L507 HydrophobicContact CD2-CD1 4.31Å; L501-L507 WeakPolarHBondContact O-CD1 3.44Å
502	K	83.4	Confident	88.2	Confident	124 Å²	124	89 Å²	89	54%	0.539	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-30.5	176.4	-71.8	178.2	-177.3	177.7	0	113.9	L495 Q496 S498 Y500	L495-K502 WeakPolarHBondContact O-CE 3.48Å; L495-K502 VanDerWaalsContact O-CG 3.24Å; L495-K502 WeakPolarHBondContact O-CG 3.47Å; Q496-K502 VanDerWaalsContact CA-CE 3.46Å; Q496-K502 WeakPolarHBondContact O-CE 3.4Å; Q496-K502 PolarHBondContact O-NZ 2.8Å; S498-K502 WeakPolarHBondContact O-CD 3.3Å; S498-K502 WeakPolarHBondContact O-CE 3.38Å; S498-K502 VanDerWaalsContact O-CG 3.31Å; S498-K502 WeakPolarHBondContact O-CG 3.49Å; Y500-K502 VanDerWaalsContact C-N 3.34Å; Y500-K502 PolarHBondContact O-N 3.14Å
503	V	86.8	Confident	88.3	Confident	122 Å²	122	91.2 Å²	91.2	74%	0.739	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	2.7	-176	-165	0	0	0	0	110.9	Y500 L501	Y500-V503 PolarHBondContact O-N 3.41Å; L501-V503 PolarHBondContact O-N 3.19Å
504	S	89.3	Confident	88.4	Confident	34 Å²	34	88.4 Å²	88.4	24%	0.238	45%	0.452	C	S	.	.			trans	-67.3	126	-178.3	-178.9	0	0	0	0	110.4	Y500 L501 L506 L507	Y500-S504 PolarHBondContact O-N 2.92Å; Y500-S504 VanDerWaalsContact O-N 3.15Å; L501-S504 WeakPolarHBondContact O-CB 3.31Å; L501-S504 PolarHBondContact O-N 3.19Å; S504-L506 PolarHBondContact O-N 3.26Å; S504-L506 PolarHBondContact OG-N 2.88Å; S504-L507 PolarHBondContact O-N 2.85Å
505	P	84.6	Confident	88.5	Confident	110 Å²	110	83.2 Å²	83.2	71%	0.714	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.9	177	31.3	-36.1	0	0	0	112.9
506	L	88.3	Confident	88.7	Confident	145 Å²	145	81.5 Å²	81.5	76%	0.759	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.9	-178.9	-59.7	177.2	0	0	0	113.3	S504	S504-L506 PolarHBondContact O-N 3.26Å; S504-L506 PolarHBondContact OG-N 2.88Å
507	L	91.1	Very high	88.9	Confident	56 Å²	56	76 Å²	76	29%	0.293	40%	0.395	S	S	.	.	S	Bend	trans	-101.1	138.8	-179.8	-65.8	-176.3	0	0	0	110.4	W491 L495 L501 S504	W491-L507 HydrophobicContact CZ2-CD1 4.19Å; W491-L507 HydrophobicContact CZ2-CD2 4.25Å; L495-L507 HydrophobicContact CD1-CD1 3.81Å; L501-L507 HydrophobicContact CB-CD1 4.13Å; L501-L507 HydrophobicContact CD2-CD1 4.31Å; L501-L507 WeakPolarHBondContact O-CD1 3.44Å; S504-L507 PolarHBondContact O-N 2.85Å
508	F	92.1	Very high	89.1	Confident	83 Å²	83	71.4 Å²	71.4	36%	0.364	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-79	129.6	175.1	-49.7	-42.8	0	0	0	110.2	L392	L392-F508 HydrophobicContact CD1-CB 3.77Å; L392-F508 HydrophobicContact CD1-CD2 4.3Å
509	P	89.1	Confident	89.2	Confident	49 Å²	49	70.3 Å²	70.3	32%	0.318	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-66.3	140.7	175.3	25	-29.5	0	0	0	110.2	T385 S389 Y511	T385-P509 HydrophobicContact CG2-CG 3.92Å; S389-P509 WeakPolarHBondContact CB-O 3.42Å; S389-P509 VanDerWaalsContact OG-CD 3.25Å; S389-P509 WeakPolarHBondContact OG-CD 3.5Å; S389-P509 WeakPolarHBondContact OG-CG 3.42Å; S389-P509 PolarHBondContact OG-O 3.03Å; P509-Y511 HydrophobicContact CB-CE2 4.46Å; P509-Y511 HydrophobicContact CG-CE2 4.26Å
510	S	85.6	Confident	89.4	Confident	67 Å²	67	66.3 Å²	66.3	47%	0.469	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-99.6	137.4	176.1	59.8	0	0	0	0	111.1	P512	S510-P512 VanDerWaalsContact O-CD 3.27Å; S510-P512 WeakPolarHBondContact O-CD 3.42Å
511	Y	89.6	Confident	89.7	Confident	77 Å²	77	60.3 Å²	60.3	30%	0.302	32%	0.315	S	S	.	.			trans	-116.6	78	178.4	-60	-72.3	0	0	0	110.3	K393 P509 Q513 K514 V519 M522	K393-Y511 PolarHBondContact NZ-O 3.44Å; P509-Y511 HydrophobicContact CB-CE2 4.46Å; P509-Y511 HydrophobicContact CG-CE2 4.26Å; Y511-Q513 VanDerWaalsContact C-N 3.33Å; Y511-Q513 PolarHBondContact O-N 3.36Å; Y511-K514 PolarHBondContact O-N 3.07Å; Y511-V519 HydrophobicContact CD2-CG1 4.49Å; Y511-V519 HydrophobicContact CD2-CG2 4.02Å; Y511-V519 HydrophobicContact CG-CG2 4.38Å; Y511-M522 HydrophobicContact CD2-CE 4.41Å; Y511-M522 HydrophobicContact CE1-CE 4.11Å; Y511-M522 HydrophobicContact CE2-CE 3.94Å; Y511-M522 HydrophobicContact CE2-SD 3.96Å
512	P	86	Confident	89.9	Confident	45 Å²	45	60.3 Å²	60.3	29%	0.292	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.7	-170.8	25.9	-34.3	0	0	0	113.1	L480 S510	L480-P512 WeakPolarHBondContact CD1-O 3.44Å; S510-P512 VanDerWaalsContact O-CD 3.27Å; S510-P512 WeakPolarHBondContact O-CD 3.42Å
513	Q	88.3	Confident	90.5	Very high	84 Å²	84	54.4 Å²	54.4	39%	0.393	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-5.6	-176.3	-60.3	-60.7	-15.7	0	0	114	D479 L480 P483 Y511	D479-Q513 CarbonylContact C-O 3.57Å; D479-Q513 VanDerWaalsContact CA-O 3.29Å; D479-Q513 WeakPolarHBondContact CA-O 3.38Å; D479-Q513 HydrophobicContact CB-CB 4.41Å; L480-Q513 PolarHBondContact N-O 2.79Å; P483-Q513 VanDerWaalsContact CB-OE1 3.29Å; Y511-Q513 VanDerWaalsContact C-N 3.33Å; Y511-Q513 PolarHBondContact O-N 3.36Å
514	K	90.9	Very high	90.8	Very high	54 Å²	54	50.1 Å²	50.1	24%	0.235	26%	0.261	C	S	.	.	S	Bend	trans	-99.2	156.3	-173.4	-63.3	-61.7	-173.5	-170.2	0	112.1	K393 D479 L480 Y511 F518	K393-K514 WeakPolarHBondContact CE-O 3.29Å; K393-K514 PolarHBondContact NZ-O 2.83Å; D479-K514 WeakPolarHBondContact OD1-CD 3.43Å; D479-K514 VanDerWaalsContact OD1-CE 3.27Å; D479-K514 WeakPolarHBondContact OD1-CE 3.17Å; D479-K514 IonicContact OD1-NZ 2.95Å; D479-K514 PolarHBondContact OD1-NZ 3.32Å; L480-K514 WeakPolarHBondContact CD1-O 3.2Å; Y511-K514 PolarHBondContact O-N 3.07Å; K514-F518 HydrophobicContact CB-CB 4.26Å; K514-F518 HydrophobicContact CB-CD1 3.53Å; K514-F518 HydrophobicContact CB-CE1 4.16Å; K514-F518 HydrophobicContact CB-CG 4.1Å; K514-F518 HydrophobicContact CD-CD1 3.81Å; K514-F518 HydrophobicContact CD-CD2 4.4Å; K514-F518 HydrophobicContact CD-CE1 3.86Å; K514-F518 HydrophobicContact CD-CE2 4.47Å; K514-F518 HydrophobicContact CD-CG 4.08Å; K514-F518 HydrophobicContact CD-CZ 4.22Å; K514-F518 HydrophobicContact CG-CD1 3.55Å; K514-F518 HydrophobicContact CG-CE1 3.65Å; K514-F518 HydrophobicContact CG-CG 4.26Å; K514-F518 HydrophobicContact CG-CZ 4.46Å
515	S	91.7	Very high	91.1	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.021	27%	0.27	C	S	.	.			trans	-73.7	168.2	174.1	67.8	0	0	0	0	112	H517 F518 V519	S515-H517 VanDerWaalsContact C-N 3.34Å; S515-F518 WeakPolarHBondContact OG-CB 3.39Å; S515-F518 PolarHBondContact OG-N 3.38Å; S515-F518 VanDerWaalsContact OG-N 3.11Å; S515-V519 PolarHBondContact O-N 2.57Å
516	L	92.4	Very high	91.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-38.5	173.6	-176.6	66.6	0	0	0	110.7	L263 L346 F390 K393 L397 Y472 F518 V519 K520	L263-L516 HydrophobicContact CD1-CD2 3.76Å; L346-L516 HydrophobicContact CD2-CD2 4.1Å; F390-L516 HydrophobicContact CD2-CD1 3.92Å; F390-L516 HydrophobicContact CE2-CD1 3.52Å; F390-L516 HydrophobicContact CE2-CG 3.97Å; F390-L516 HydrophobicContact CZ-CD1 4.29Å; K393-L516 HydrophobicContact CB-CD1 3.98Å; K393-L516 HydrophobicContact CG-CD1 3.83Å; L397-L516 HydrophobicContact CD2-CD2 3.75Å; Y472-L516 WeakPolarHBondContact O-CB 3.46Å; Y472-L516 PolarHBondContact O-N 2.88Å; Y472-L516 VanDerWaalsContact O-N 3.14Å; L516-F518 PolarHBondContact O-N 2.8Å; L516-V519 PolarHBondContact O-N 3.08Å; L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 2.7Å
517	H	91.8	Very high	91.9	Very high	19 Å²	19	42.3 Å²	42.3	9%	0.088	21%	0.212	C	C	.	.	H	α-helix	trans	-59.2	-43.9	175.7	-78.4	84.1	0	0	0	112.7	L263 C267 Y472 L473 D475 S515 V519 K520 R521	L263-H517 WeakPolarHBondContact CD2-NE2 3.25Å; C267-H517 VanDerWaalsContact SG-CE1 3.56Å; Y472-H517 PolarHBondContact O-ND1 2.82Å; L473-H517 PolarHBondContact O-CE1 2.84Å; L473-H517 PolarHBondContact O-ND1 2.82Å; L473-H517 VanDerWaalsContact O-ND1 3.13Å; D475-H517 VanDerWaalsContact OD1-CB 3.31Å; D475-H517 WeakPolarHBondContact OD1-CB 3.44Å; D475-H517 IonicContact OD1-CD2 2.7Å; D475-H517 PolarHBondContact OD1-CD2 3.07Å; D475-H517 IonicContact OD1-CG 3.12Å; S515-H517 VanDerWaalsContact C-N 3.34Å; H517-V519 VanDerWaalsContact C-N 3.35Å; H517-V519 PolarHBondContact O-N 2.84Å; H517-K520 WeakPolarHBondContact O-CB 3.41Å; H517-K520 PolarHBondContact O-N 2.82Å; H517-R521 WeakPolarHBondContact O-CG 3.33Å; H517-R521 PolarHBondContact O-N 2.92Å
518	F	92.3	Very high	91.9	Very high	58 Å²	58	43.8 Å²	43.8	25%	0.254	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-46.6	176.6	178	-93.3	0	0	0	112	K514 S515 L516 R521 M522	K514-F518 HydrophobicContact CB-CB 4.26Å; K514-F518 HydrophobicContact CB-CD1 3.53Å; K514-F518 HydrophobicContact CB-CE1 4.16Å; K514-F518 HydrophobicContact CB-CG 4.1Å; K514-F518 HydrophobicContact CD-CD1 3.81Å; K514-F518 HydrophobicContact CD-CD2 4.4Å; K514-F518 HydrophobicContact CD-CE1 3.86Å; K514-F518 HydrophobicContact CD-CE2 4.47Å; K514-F518 HydrophobicContact CD-CG 4.08Å; K514-F518 HydrophobicContact CD-CZ 4.22Å; K514-F518 HydrophobicContact CG-CD1 3.55Å; K514-F518 HydrophobicContact CG-CE1 3.65Å; K514-F518 HydrophobicContact CG-CG 4.26Å; K514-F518 HydrophobicContact CG-CZ 4.46Å; S515-F518 WeakPolarHBondContact OG-CB 3.39Å; S515-F518 PolarHBondContact OG-N 3.38Å; S515-F518 VanDerWaalsContact OG-N 3.11Å; L516-F518 PolarHBondContact O-N 2.8Å; F518-R521 PolarHBondContact O-N 3.48Å; F518-M522 HydrophobicContact CD1-CE 3.89Å; F518-M522 HydrophobicContact CE1-CE 3.24Å; F518-M522 HydrophobicContact CZ-CE 3.93Å; F518-M522 WeakPolarHBondContact O-CB 3.28Å; F518-M522 PolarHBondContact O-N 2.82Å
519	V	93.5	Very high	91.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-37.2	179.2	-176.9	0	0	0	0	111.1	F390 K393 Y511 S515 L516 H517 M522 M523	F390-V519 HydrophobicContact CB-CG1 4.02Å; F390-V519 HydrophobicContact CD2-CG1 4.32Å; K393-V519 HydrophobicContact CG-CG2 4.29Å; Y511-V519 HydrophobicContact CD2-CG1 4.49Å; Y511-V519 HydrophobicContact CD2-CG2 4.02Å; Y511-V519 HydrophobicContact CG-CG2 4.38Å; S515-V519 PolarHBondContact O-N 2.57Å; L516-V519 PolarHBondContact O-N 3.08Å; H517-V519 VanDerWaalsContact C-N 3.35Å; H517-V519 PolarHBondContact O-N 2.84Å; V519-M522 PolarHBondContact O-N 2.99Å; V519-M523 WeakPolarHBondContact O-CB 3.3Å; V519-M523 PolarHBondContact O-N 3.42Å
520	K	94.1	Very high	92	Very high	12 Å²	12	46.7 Å²	46.7	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-53.5	172.2	174.2	-174.7	164.6	-170.1	0	111.5	H260 L263 F390 L516 H517 M522 M523 E524	H260-K520 PolarHBondContact ND1-NZ 3.01Å; L263-K520 HydrophobicContact CD2-CD 3.37Å; F390-K520 HydrophobicContact CD2-CB 4.21Å; F390-K520 HydrophobicContact CE2-CB 3.82Å; L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 2.7Å; H517-K520 WeakPolarHBondContact O-CB 3.41Å; H517-K520 PolarHBondContact O-N 2.82Å; K520-M522 VanDerWaalsContact C-N 3.26Å; K520-M522 PolarHBondContact O-N 3.18Å; K520-M523 WeakPolarHBondContact O-CB 2.84Å; K520-M523 PolarHBondContact O-N 3.14Å; K520-M523 VanDerWaalsContact O-N 3.08Å; K520-E524 WeakPolarHBondContact CE-OE1 3.32Å; K520-E524 HydrophobicContact CG-CG 4.31Å; K520-E524 IonicContact NZ-OE1 3.84Å; K520-E524 WeakPolarHBondContact O-CG 2.91Å; K520-E524 PolarHBondContact O-N 3.13Å
521	R	93.4	Very high	92.2	Very high	74 Å²	74	44.3 Å²	44.3	28%	0.279	20%	0.204	S	C	.	.	H	α-helix	trans	-58.9	-39.7	179.3	-68.5	179.3	-164.9	163.3	-11.8	111.2	D475 D477 H517 F518 N525	D475-R521 PolarHBondContact O-NH2 3.27Å; D475-R521 IonicContact OD1-CZ 2.61Å; D475-R521 IonicContact OD1-NE 2.57Å; D475-R521 PolarHBondContact OD1-NE 3.1Å; D475-R521 IonicContact OD1-NH2 2.75Å; D475-R521 PolarHBondContact OD1-NH2 2.98Å; D475-R521 IonicContact OD2-CZ 2.76Å; D475-R521 IonicContact OD2-NH2 3.49Å; D475-R521 PolarHBondContact OD2-NH2 3.14Å; D477-R521 IonicContact OD1-NH1 3.68Å; D477-R521 PolarHBondContact OD1-NH1 3.47Å; H517-R521 WeakPolarHBondContact O-CG 3.33Å; H517-R521 PolarHBondContact O-N 2.92Å; F518-R521 PolarHBondContact O-N 3.48Å; R521-N525 VanDerWaalsContact O-CB 3.31Å; R521-N525 WeakPolarHBondContact O-CB 3.32Å; R521-N525 VanDerWaalsContact O-CG 3.26Å; R521-N525 PolarHBondContact O-N 2.99Å; R521-N525 PolarHBondContact O-ND2 3.47Å
522	M	93.4	Very high	92.2	Very high	48 Å²	48	45.4 Å²	45.4	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-46.2	175.5	-172.6	-167	-46	0	0	111.6	Y511 F518 V519 K520 V526	Y511-M522 HydrophobicContact CD2-CE 4.41Å; Y511-M522 HydrophobicContact CE1-CE 4.11Å; Y511-M522 HydrophobicContact CE2-CE 3.94Å; Y511-M522 HydrophobicContact CE2-SD 3.96Å; F518-M522 HydrophobicContact CD1-CE 3.89Å; F518-M522 HydrophobicContact CE1-CE 3.24Å; F518-M522 HydrophobicContact CZ-CE 3.93Å; F518-M522 WeakPolarHBondContact O-CB 3.28Å; F518-M522 PolarHBondContact O-N 2.82Å; V519-M522 PolarHBondContact O-N 2.99Å; K520-M522 VanDerWaalsContact C-N 3.26Å; K520-M522 PolarHBondContact O-N 3.18Å; M522-V526 WeakPolarHBondContact O-CG2 3.44Å; M522-V526 PolarHBondContact O-N 3.19Å; M522-V526 VanDerWaalsContact O-N 3.09Å
523	M	95.6	Very high	92.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-49.8	176.6	177.5	-166.1	74.4	0	0	111.6	L256 L259 L353 A386 V387 F390 V519 K520 N525 V526 I527	L256-M523 HydrophobicContact CD2-CE 3.9Å; L259-M523 HydrophobicContact CD1-CE 4.26Å; L353-M523 HydrophobicContact CD2-CE 4.5Å; L353-M523 HydrophobicContact CD2-SD 4.25Å; A386-M523 HydrophobicContact CB-CB 4.17Å; A386-M523 HydrophobicContact CB-CG 4.34Å; V387-M523 HydrophobicContact CB-SD 4.31Å; V387-M523 HydrophobicContact CG2-CG 3.81Å; V387-M523 HydrophobicContact CG2-SD 3.76Å; F390-M523 HydrophobicContact CB-SD 3.74Å; F390-M523 HydrophobicContact CD1-CE 4.29Å; F390-M523 HydrophobicContact CD1-SD 3.87Å; F390-M523 HydrophobicContact CG-CE 4.38Å; F390-M523 HydrophobicContact CG-SD 3.82Å; V519-M523 WeakPolarHBondContact O-CB 3.3Å; V519-M523 PolarHBondContact O-N 3.42Å; K520-M523 WeakPolarHBondContact O-CB 2.84Å; K520-M523 PolarHBondContact O-N 3.14Å; K520-M523 VanDerWaalsContact O-N 3.08Å; M523-N525 PolarHBondContact O-N 2.73Å; M523-V526 PolarHBondContact O-N 2.79Å; M523-I527 HydrophobicContact CG-CD1 3.71Å; M523-I527 WeakPolarHBondContact O-CG1 3.46Å; M523-I527 PolarHBondContact O-N 3.18Å
524	E	94.4	Very high	92.8	Very high	33 Å²	33	43.2 Å²	43.2	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-56.7	-49.9	177	-73.6	171.8	161.7	0	0	110.9	L256 H260 K520 V526 I527 E528	L256-E524 HydrophobicContact CD2-CG 4.32Å; H260-E524 IonicContact ND1-OE1 3.94Å; K520-E524 WeakPolarHBondContact CE-OE1 3.32Å; K520-E524 HydrophobicContact CG-CG 4.31Å; K520-E524 IonicContact NZ-OE1 3.84Å; K520-E524 WeakPolarHBondContact O-CG 2.91Å; K520-E524 PolarHBondContact O-N 3.13Å; E524-V526 VanDerWaalsContact C-N 3.34Å; E524-V526 PolarHBondContact O-N 2.84Å; E524-I527 PolarHBondContact O-N 2.87Å; E524-E528 WeakPolarHBondContact O-CB 3.31Å; E524-E528 VanDerWaalsContact O-CG 3.32Å; E524-E528 WeakPolarHBondContact O-CG 3.48Å; E524-E528 PolarHBondContact O-N 2.96Å
525	N	94.4	Very high	92.9	Very high	82 Å²	82	40.8 Å²	40.8	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-59.2	-40.3	178.6	-80	-55.6	0	0	0	113.4	R521 M523 R529	R521-N525 VanDerWaalsContact O-CB 3.31Å; R521-N525 WeakPolarHBondContact O-CB 3.32Å; R521-N525 VanDerWaalsContact O-CG 3.26Å; R521-N525 PolarHBondContact O-N 2.99Å; R521-N525 PolarHBondContact O-ND2 3.47Å; M523-N525 PolarHBondContact O-N 2.73Å; N525-R529 VanDerWaalsContact O-CG 3.25Å; N525-R529 WeakPolarHBondContact O-CG 3.32Å; N525-R529 PolarHBondContact O-N 3.39Å; N525-R529 VanDerWaalsContact O-N 3.16Å
526	V	95.1	Very high	93	Very high	40 Å²	40	45.1 Å²	45.1	24%	0.242	21%	0.206	C	C	.	.	H	α-helix	trans	-69.3	-42.6	179.2	176.1	0	0	0	0	110.2	A383 M522 M523 E524 R529 C530	A383-V526 HydrophobicContact CB-CG1 4.09Å; M522-V526 WeakPolarHBondContact O-CG2 3.44Å; M522-V526 PolarHBondContact O-N 3.19Å; M522-V526 VanDerWaalsContact O-N 3.09Å; M523-V526 PolarHBondContact O-N 2.79Å; E524-V526 VanDerWaalsContact C-N 3.34Å; E524-V526 PolarHBondContact O-N 2.84Å; V526-R529 PolarHBondContact O-N 3.36Å; V526-C530 PolarHBondContact O-N 3.36Å; V526-C530 PolarHBondContact O-SG 2.83Å
527	I	94.9	Very high	93.1	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-43.3	178.5	-65.8	165.7	0	0	0	110.9	I252 L256 L353 L357 A383 V387 M523 E524 R529 C530 L531	I252-I527 HydrophobicContact CG2-CG2 3.7Å; L256-I527 HydrophobicContact CD1-CB 4.3Å; L256-I527 HydrophobicContact CD1-CG2 3.77Å; L256-I527 HydrophobicContact CD2-CD1 3.87Å; L353-I527 HydrophobicContact CD2-CD1 4.03Å; L357-I527 HydrophobicContact CD1-CD1 4.46Å; A383-I527 HydrophobicContact CB-CG1 3.88Å; V387-I527 HydrophobicContact CG2-CD1 3.88Å; M523-I527 HydrophobicContact CG-CD1 3.71Å; M523-I527 WeakPolarHBondContact O-CG1 3.46Å; M523-I527 PolarHBondContact O-N 3.18Å; E524-I527 PolarHBondContact O-N 2.87Å; I527-R529 VanDerWaalsContact C-N 3.31Å; I527-R529 PolarHBondContact O-N 2.78Å; I527-C530 WeakPolarHBondContact O-CA 3.13Å; I527-C530 VanDerWaalsContact O-CB 3.29Å; I527-C530 WeakPolarHBondContact O-CB 3.41Å; I527-C530 PolarHBondContact O-N 3.04Å; I527-L531 HydrophobicContact CG2-CD1 3.73Å; I527-L531 HydrophobicContact CG2-CG 4.19Å; I527-L531 WeakPolarHBondContact O-CG 3.46Å; I527-L531 PolarHBondContact O-N 3.37Å
528	E	91.8	Very high	93.2	Very high	88 Å²	88	46.3 Å²	46.3	41%	0.411	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-41.3	176.8	-78.3	179.5	-173.3	0	0	112	E524 C530 L531 Q532	E524-E528 WeakPolarHBondContact O-CB 3.31Å; E524-E528 VanDerWaalsContact O-CG 3.32Å; E524-E528 WeakPolarHBondContact O-CG 3.48Å; E524-E528 PolarHBondContact O-N 2.96Å; E528-C530 VanDerWaalsContact C-N 3.29Å; E528-C530 PolarHBondContact O-N 2.87Å; E528-L531 CarbonylContact O-C 3.52Å; E528-L531 PolarHBondContact O-N 2.88Å; E528-L531 VanDerWaalsContact O-N 3.16Å; E528-Q532 WeakPolarHBondContact O-CB 3.21Å; E528-Q532 VanDerWaalsContact O-CG 3.22Å; E528-Q532 WeakPolarHBondContact O-CG 3.34Å; E528-Q532 PolarHBondContact O-N 2.97Å
529	R	91.1	Very high	93.2	Very high	177 Å²	177	44 Å²	44	67%	0.668	21%	0.207	S	C	*	.	H	α-helix	trans	-61.4	-38.1	173.4	-72.9	172.3	-173.1	-177.1	3.4	112.3	N525 V526 I527 L531 K533	N525-R529 VanDerWaalsContact O-CG 3.25Å; N525-R529 WeakPolarHBondContact O-CG 3.32Å; N525-R529 PolarHBondContact O-N 3.39Å; N525-R529 VanDerWaalsContact O-N 3.16Å; V526-R529 PolarHBondContact O-N 3.36Å; I527-R529 VanDerWaalsContact C-N 3.31Å; I527-R529 PolarHBondContact O-N 2.78Å; R529-L531 VanDerWaalsContact C-N 3.34Å; R529-K533 PolarHBondContact O-N 3.06Å
530	C	91.1	Very high	93.2	Very high	15 Å²	15	52.6 Å²	52.6	10%	0.101	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-39.1	175.1	-61.2	0	0	0	0	111.7	A379 V526 I527 E528 P534	A379-C530 PolarHBondContact O-SG 2.87Å; V526-C530 PolarHBondContact O-N 3.36Å; V526-C530 PolarHBondContact O-SG 2.83Å; I527-C530 WeakPolarHBondContact O-CA 3.13Å; I527-C530 VanDerWaalsContact O-CB 3.29Å; I527-C530 WeakPolarHBondContact O-CB 3.41Å; I527-C530 PolarHBondContact O-N 3.04Å; E528-C530 VanDerWaalsContact C-N 3.29Å; E528-C530 PolarHBondContact O-N 2.87Å; C530-P534 WeakPolarHBondContact O-CD 3.36Å
531	L	89.6	Confident	93.1	Very high	17 Å²	17	54 Å²	54	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-72.2	-31.9	178.6	-70.2	168	0	0	0	112.6	Y186 F249 I252 I527 E528 R529	Y186-L531 HydrophobicContact CD2-CD2 4.01Å; Y186-L531 HydrophobicContact CE2-CB 3.98Å; Y186-L531 HydrophobicContact CE2-CD2 3.56Å; Y186-L531 HydrophobicContact CE2-CG 4.38Å; Y186-L531 PolarHBondContact OH-O 2.75Å; F249-L531 HydrophobicContact CB-CD2 3.56Å; F249-L531 HydrophobicContact CD1-CD2 3.27Å; F249-L531 HydrophobicContact CD2-CD2 4.14Å; F249-L531 HydrophobicContact CE1-CD2 3.9Å; F249-L531 HydrophobicContact CG-CD2 3.41Å; F249-L531 VanDerWaalsContact CG-CD2 3.41Å; I252-L531 HydrophobicContact CG2-CD1 4.45Å; I527-L531 HydrophobicContact CG2-CD1 3.73Å; I527-L531 HydrophobicContact CG2-CG 4.19Å; I527-L531 WeakPolarHBondContact O-CG 3.46Å; I527-L531 PolarHBondContact O-N 3.37Å; E528-L531 CarbonylContact O-C 3.52Å; E528-L531 PolarHBondContact O-N 2.88Å; E528-L531 VanDerWaalsContact O-N 3.16Å; R529-L531 VanDerWaalsContact C-N 3.34Å
532	Q	91.1	Very high	93.1	Very high	100 Å²	100	51.5 Å²	51.5	47%	0.467	24%	0.243	S	C	.	.	H	α-helix	trans	-77.8	-34.5	-178.4	-74.6	170.2	5.9	0	0	113.2	E528 A535 E536	E528-Q532 WeakPolarHBondContact O-CB 3.21Å; E528-Q532 VanDerWaalsContact O-CG 3.22Å; E528-Q532 WeakPolarHBondContact O-CG 3.34Å; E528-Q532 PolarHBondContact O-N 2.97Å; Q532-A535 WeakPolarHBondContact O-CB 3.49Å; Q532-A535 PolarHBondContact O-N 3.01Å; Q532-E536 PolarHBondContact O-N 2.93Å; Q532-E536 VanDerWaalsContact O-N 3.12Å
533	K	92.4	Very high	93	Very high	82 Å²	82	56.2 Å²	56.2	36%	0.357	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-43.9	-174.7	-176.6	172	177.3	165.5	0	113.6	G374 D376 R529 A535 E536 V537	G374-K533 WeakPolarHBondContact O-CG 3.49Å; D376-K533 HydrophobicContact CB-CD 4Å; D376-K533 IonicContact OD2-NZ 2.99Å; D376-K533 PolarHBondContact OD2-NZ 2.86Å; R529-K533 PolarHBondContact O-N 3.06Å; K533-A535 VanDerWaalsContact C-N 3.32Å; K533-A535 PolarHBondContact O-N 3.03Å; K533-E536 PolarHBondContact O-N 2.92Å; K533-V537 HydrophobicContact CG-CG2 4.48Å; K533-V537 WeakPolarHBondContact O-CG2 3.34Å; K533-V537 PolarHBondContact O-N 2.82Å
534	P	94	Very high	92.9	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-40.1	172.7	-26.6	35.9	0	0	0	113.4	M245 F249 L373 C530 E536 V537 I538	M245-P534 HydrophobicContact CE-CB 4.33Å; M245-P534 HydrophobicContact SD-CB 4.14Å; M245-P534 HydrophobicContact SD-CG 4.34Å; F249-P534 HydrophobicContact CE2-CG 3.96Å; F249-P534 HydrophobicContact CZ-CG 4.44Å; L373-P534 VanDerWaalsContact O-CA 3.25Å; L373-P534 WeakPolarHBondContact O-CA 3.41Å; L373-P534 WeakPolarHBondContact O-CB 3.14Å; C530-P534 WeakPolarHBondContact O-CD 3.36Å; P534-E536 VanDerWaalsContact C-N 3.31Å; P534-E536 PolarHBondContact O-N 3.43Å; P534-V537 PolarHBondContact O-N 3.09Å; P534-I538 VanDerWaalsContact O-CB 3.32Å; P534-I538 WeakPolarHBondContact O-CB 3.35Å; P534-I538 VanDerWaalsContact O-CG1 3.28Å; P534-I538 WeakPolarHBondContact O-CG1 3.4Å; P534-I538 PolarHBondContact O-N 3.5Å
535	A	93.3	Very high	92.7	Very high	3 Å²	3	62 Å²	62	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-39	178.7	0	0	0	0	0	112.6	K187 I188 A189 S190 Q532 K533 G539	K187-A535 HydrophobicContact CG-CB 4.23Å; I188-A535 WeakPolarHBondContact O-CA 3.38Å; A189-A535 WeakPolarHBondContact CA-O 3.48Å; S190-A535 PolarHBondContact N-O 3.2Å; Q532-A535 WeakPolarHBondContact O-CB 3.49Å; Q532-A535 PolarHBondContact O-N 3.01Å; K533-A535 VanDerWaalsContact C-N 3.32Å; K533-A535 PolarHBondContact O-N 3.03Å; A535-G539 WeakPolarHBondContact O-CA 3.45Å; A535-G539 PolarHBondContact O-N 3.37Å
536	E	92.8	Very high	92.5	Very high	94 Å²	94	59.3 Å²	59.3	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-69.6	-44.1	174.3	-67.9	-174.6	-162	0	0	112.7	Q532 K533 P534 G539 R540	Q532-E536 PolarHBondContact O-N 2.93Å; Q532-E536 VanDerWaalsContact O-N 3.12Å; K533-E536 PolarHBondContact O-N 2.92Å; P534-E536 VanDerWaalsContact C-N 3.31Å; P534-E536 PolarHBondContact O-N 3.43Å; E536-G539 PolarHBondContact O-N 2.84Å; E536-R540 WeakPolarHBondContact O-CB 3.21Å; E536-R540 VanDerWaalsContact O-CG 3.29Å; E536-R540 WeakPolarHBondContact O-CG 3.44Å; E536-R540 PolarHBondContact O-N 2.93Å; E536-R540 IonicContact OE2-CZ 3.99Å; E536-R540 IonicContact OE2-NH2 2.94Å; E536-R540 PolarHBondContact OE2-NH2 2.72Å
537	V	94.1	Very high	92.3	Very high	44 Å²	44	61.3 Å²	61.3	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-67.4	-46.9	-177	171.7	0	0	0	0	110.8	R372 K533 P534 G539 R540 S541	R372-V537 WeakPolarHBondContact O-CG1 3.16Å; K533-V537 HydrophobicContact CG-CG2 4.48Å; K533-V537 WeakPolarHBondContact O-CG2 3.34Å; K533-V537 PolarHBondContact O-N 2.82Å; P534-V537 PolarHBondContact O-N 3.09Å; V537-G539 VanDerWaalsContact C-N 3.34Å; V537-R540 PolarHBondContact O-N 2.86Å; V537-S541 PolarHBondContact O-N 2.74Å; V537-S541 VanDerWaalsContact O-N 3.13Å
538	I	94.8	Very high	92.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-44.2	174.8	-65.3	169.6	0	0	0	109.3	I188 A189 L234 L235 M245 L373 P534 R540 S541 V542	I188-I538 WeakPolarHBondContact O-CD1 3.41Å; A189-I538 HydrophobicContact CB-CB 4.34Å; A189-I538 HydrophobicContact CB-CG2 3.76Å; L234-I538 HydrophobicContact CD2-CG1 4.33Å; L235-I538 HydrophobicContact CD2-CD1 4.41Å; L235-I538 HydrophobicContact CD2-CG2 3.72Å; L235-I538 HydrophobicContact CG-CG2 4.27Å; M245-I538 HydrophobicContact CE-CD1 4.08Å; L373-I538 HydrophobicContact CD2-CD1 4.21Å; L373-I538 HydrophobicContact CD2-CG1 4.31Å; P534-I538 VanDerWaalsContact O-CB 3.32Å; P534-I538 WeakPolarHBondContact O-CB 3.35Å; P534-I538 VanDerWaalsContact O-CG1 3.28Å; P534-I538 WeakPolarHBondContact O-CG1 3.4Å; P534-I538 PolarHBondContact O-N 3.5Å; I538-R540 VanDerWaalsContact C-N 3.35Å; I538-R540 PolarHBondContact O-N 3.41Å; I538-S541 WeakPolarHBondContact O-CB 3.36Å; I538-S541 PolarHBondContact O-N 2.88Å; I538-S541 PolarHBondContact O-OG 3Å; I538-V542 PolarHBondContact O-N 3.28Å
539	G	93.3	Very high	92.1	Very high	9 Å²	9	58.8 Å²	58.8	9%	0.093	28%	0.281	C	S	.	.	H	α-helix	trans	-57.1	-43.6	176.8	0	0	0	0	0	113.7	S190 A535 E536 V537 S541 V542	S190-G539 WeakPolarHBondContact O-CA 3.32Å; A535-G539 WeakPolarHBondContact O-CA 3.45Å; A535-G539 PolarHBondContact O-N 3.37Å; E536-G539 PolarHBondContact O-N 2.84Å; V537-G539 VanDerWaalsContact C-N 3.34Å; G539-S541 VanDerWaalsContact C-N 3.26Å; G539-S541 PolarHBondContact O-N 3.35Å; G539-V542 PolarHBondContact O-N 3.48Å
540	R	92.6	Very high	92.1	Very high	184 Å²	184	50.4 Å²	50.4	69%	0.694	25%	0.249	S	C	*	.	H	α-helix	trans	-68.6	-21.8	175.4	-72.5	177.1	-168.6	148.9	16.6	113.8	E536 V537 I538 V542	E536-R540 WeakPolarHBondContact O-CB 3.21Å; E536-R540 VanDerWaalsContact O-CG 3.29Å; E536-R540 WeakPolarHBondContact O-CG 3.44Å; E536-R540 PolarHBondContact O-N 2.93Å; E536-R540 IonicContact OE2-CZ 3.99Å; E536-R540 IonicContact OE2-NH2 2.94Å; E536-R540 PolarHBondContact OE2-NH2 2.72Å; V537-R540 PolarHBondContact O-N 2.86Å; I538-R540 VanDerWaalsContact C-N 3.35Å; I538-R540 PolarHBondContact O-N 3.41Å; R540-V542 VanDerWaalsContact C-N 3.33Å
541	S	92.8	Very high	92	Very high	41 Å²	41	50.9 Å²	50.9	29%	0.287	25%	0.249	S	C	.	.	H	α-helix	trans	-74.7	-27.7	177.3	79.9	0	0	0	0	112.5	L234 V537 I538 G539	L234-S541 VanDerWaalsContact CD2-OG 3.24Å; L234-S541 WeakPolarHBondContact CD2-OG 3.17Å; V537-S541 PolarHBondContact O-N 2.74Å; V537-S541 VanDerWaalsContact O-N 3.13Å; I538-S541 WeakPolarHBondContact O-CB 3.36Å; I538-S541 PolarHBondContact O-N 2.88Å; I538-S541 PolarHBondContact O-OG 3Å; G539-S541 VanDerWaalsContact C-N 3.26Å; G539-S541 PolarHBondContact O-N 3.35Å
542	V	93.1	Very high	91.9	Very high	21 Å²	21	51.2 Å²	51.2	13%	0.127	25%	0.254	C	S	.	.			trans	-73.9	127.1	-178.7	177.2	0	0	0	0	109.7	L191 L230 D231 T232 I538 G539 R540	L191-V542 HydrophobicContact CD1-CG1 4.22Å; L191-V542 HydrophobicContact CD2-CB 3.7Å; L191-V542 HydrophobicContact CD2-CG1 3.91Å; L191-V542 HydrophobicContact CD2-CG2 3.67Å; L230-V542 HydrophobicContact CB-CG1 3.69Å; L230-V542 HydrophobicContact CD1-CG1 4.14Å; L230-V542 HydrophobicContact CG-CG1 4.43Å; D231-V542 WeakPolarHBondContact O-CA 3.43Å; D231-V542 WeakPolarHBondContact O-CG1 3.32Å; T232-V542 HydrophobicContact CG2-CG1 4.14Å; T232-V542 HydrophobicContact CG2-CG2 3.98Å; I538-V542 PolarHBondContact O-N 3.28Å; G539-V542 PolarHBondContact O-N 3.48Å; R540-V542 VanDerWaalsContact C-N 3.33Å
543	K	91.3	Very high	91.5	Very high	147 Å²	147	48.2 Å²	48.2	64%	0.639	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	147	-179	-66.5	178.8	-175.7	174.6	0	110.6	L230 D231 A545	L230-K543 CarbonylContact C-O 3.59Å; L230-K543 WeakPolarHBondContact CA-O 3.19Å; D231-K543 PolarHBondContact N-O 3.17Å; K543-A545 PolarHBondContact O-N 3.49Å
544	Q	92.2	Very high	90.4	Very high	105 Å²	105	46.3 Å²	46.3	49%	0.491	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	114.4	169.3	-174.7	177.6	-70.7	0	0	109.7	V228 L230	V228-Q544 HydrophobicContact CG1-CG 3.88Å; L230-Q544 HydrophobicContact CD2-CB 3.92Å; L230-Q544 HydrophobicContact CD2-CG 4.27Å
545	A	90.9	Very high	88.8	Confident	49 Å²	49	53.4 Å²	53.4	41%	0.405	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-38.8	178.7	0	0	0	0	0	111.8	Q229 D231 K543 P601	Q229-A545 PolarHBondContact O-N 3.4Å; D231-A545 HydrophobicContact CB-CB 4.25Å; K543-A545 PolarHBondContact O-N 3.49Å; A545-P601 HydrophobicContact CB-CB 3.72Å; A545-P601 HydrophobicContact CB-CG 3.77Å
546	V	90.4	Very high	86.6	Confident	27 Å²	27	60.4 Å²	60.4	16%	0.164	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.1	-177.8	-173.3	0	0	0	0	109.9	Y227 V228 Q229 L548	Y227-V546 HydrophobicContact CE1-CG1 4.44Å; V228-V546 WeakPolarHBondContact CA-O 3.3Å; Q229-V546 HydrophobicContact CB-CB 3.76Å; Q229-V546 HydrophobicContact CB-CG2 4.08Å; Q229-V546 PolarHBondContact N-O 2.88Å; Q229-V546 PolarHBondContact O-N 2.72Å; Q229-V546 VanDerWaalsContact O-N 3.1Å; V546-L548 HydrophobicContact CG1-CD1 3.99Å; V546-L548 HydrophobicContact CG1-CD2 4.25Å; V546-L548 HydrophobicContact CG1-CG 3.78Å
547	F	91.6	Very high	84.5	Confident	82 Å²	82	59.1 Å²	59.1	36%	0.36	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	120.7	171.6	179.6	-89.2	0	0	0	109	C226 Y227 V228 P549	C226-F547 HydrophobicContact CB-CE2 3.88Å; C226-F547 HydrophobicContact CB-CZ 3.93Å; Y227-F547 CarbonylContact O-C 3.49Å; Y227-F547 WeakPolarHBondContact O-CA 3.26Å; V228-F547 HydrophobicContact CG2-CD2 3.8Å; V228-F547 HydrophobicContact CG2-CE2 4.15Å; F547-P549 HydrophobicContact CE1-CG 4.48Å
548	L	90.5	Very high	82.2	Confident	20 Å²	20	65.2 Å²	65.2	11%	0.105	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	107.8	-176.6	-59.3	173.7	0	0	0	109.8	C226 Y227 V546 L550 L595 W680	C226-L548 WeakPolarHBondContact CA-O 2.93Å; Y227-L548 HydrophobicContact CD1-CB 4.41Å; Y227-L548 HydrophobicContact CD1-CD1 3.97Å; Y227-L548 HydrophobicContact CD1-CG 4.35Å; Y227-L548 PolarHBondContact N-O 2.87Å; Y227-L548 PolarHBondContact O-N 3.48Å; V546-L548 HydrophobicContact CG1-CD1 3.99Å; V546-L548 HydrophobicContact CG1-CD2 4.25Å; V546-L548 HydrophobicContact CG1-CG 3.78Å; L548-L550 HydrophobicContact CB-CD2 4.41Å; L548-L550 PolarHBondContact O-N 2.82Å; L548-L595 HydrophobicContact CD1-CD1 4.33Å; L548-L595 HydrophobicContact CD1-CD2 4.3Å; L548-W680 HydrophobicContact CB-CH2 4.1Å; L548-W680 HydrophobicContact CB-CZ2 4.08Å; L548-W680 HydrophobicContact CD1-CZ3 4.47Å; L548-W680 HydrophobicContact CD2-CD2 4.26Å; L548-W680 HydrophobicContact CD2-CZ2 4.47Å
549	P	91.3	Very high	80.3	Confident	17 Å²	17	75.5 Å²	75.5	11%	0.11	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.6	173.6	28.4	-31.7	0	0	0	110	F547 W680 R685 L686	F547-P549 HydrophobicContact CE1-CG 4.48Å; P549-W680 WeakPolarHBondContact O-CZ2 3.32Å; P549-R685 HydrophobicContact CB-CB 4.45Å; P549-R685 HydrophobicContact CB-CG 4.11Å; P549-R685 WeakPolarHBondContact O-CA 3.45Å; P549-L686 PolarHBondContact O-N 2.78Å
550	L	90.3	Very high	78.5	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-69.2	-173.8	-52.1	-175.8	0	0	0	111	I213 I225 L548 F582 W680 R685 L686 D687	I213-L550 HydrophobicContact CD1-CD1 4.36Å; I225-L550 HydrophobicContact CG2-CD1 4.19Å; I225-L550 WeakPolarHBondContact O-CA 3.48Å; I225-L550 VanDerWaalsContact O-CB 3.32Å; I225-L550 WeakPolarHBondContact O-CB 2.99Å; I225-L550 PolarHBondContact O-N 2.64Å; L548-L550 HydrophobicContact CB-CD2 4.41Å; L548-L550 PolarHBondContact O-N 2.82Å; L550-F582 HydrophobicContact CD1-CD1 4.3Å; L550-F582 HydrophobicContact CD1-CE1 4.16Å; L550-F582 HydrophobicContact CD1-CZ 4.36Å; L550-W680 HydrophobicContact CD2-CH2 3.76Å; L550-R685 WeakPolarHBondContact O-CG 3.43Å; L550-L686 WeakPolarHBondContact O-CB 3.48Å; L550-L686 PolarHBondContact O-N 2.94Å; L550-D687 PolarHBondContact O-N 2.91Å; L550-D687 VanDerWaalsContact O-N 3.15Å
551	Y	89.8	Confident	76.9	Confident	25 Å²	25	70.3 Å²	70.3	10%	0.098	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.7	-175.3	56.3	-89	0	0	0	111.8	I225 P567 F582 M584	I225-Y551 HydrophobicContact CB-CE1 4.19Å; I225-Y551 HydrophobicContact CB-CE2 4.22Å; I225-Y551 HydrophobicContact CG1-CD2 4.37Å; I225-Y551 HydrophobicContact CG1-CE2 3.78Å; I225-Y551 HydrophobicContact CG2-CE1 4.23Å; I225-Y551 PolarHBondContact N-O 3.28Å; I225-Y551 PolarHBondContact O-N 2.81Å; Y551-P567 HydrophobicContact CE1-CG 4.46Å; Y551-F582 HydrophobicContact CD1-CD2 4Å; Y551-F582 HydrophobicContact CD1-CE2 4.18Å; Y551-F582 HydrophobicContact CE1-CB 4.4Å; Y551-F582 AromaticContact CE1-CD2 3.62Å; Y551-F582 HydrophobicContact CE1-CD2 3.62Å; Y551-F582 HydrophobicContact CE1-CE2 4.23Å; Y551-F582 HydrophobicContact CE1-CG 4.23Å; Y551-M584 HydrophobicContact CD1-CE 4.02Å; Y551-M584 HydrophobicContact CD1-CG 3.98Å; Y551-M584 HydrophobicContact CG-CE 4.41Å; Y551-M584 HydrophobicContact CG-CG 4.07Å
552	A	87.9	Confident	75.4	Confident	24 Å²	24	73.4 Å²	73.4	20%	0.198	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.3	169.5	0	0	0	0	0	111.5	V222 S223 D687	V222-A552 HydrophobicContact CG1-CB 3.6Å; S223-A552 CarbonylContact O-C 3.59Å; S223-A552 WeakPolarHBondContact O-CA 3.09Å; A552-D687 PolarHBondContact N-OD2 3.15Å
553	V	81.6	Confident	73.8	Confident	38 Å²	38	75 Å²	75	23%	0.23	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.2	170.6	-171.8	0	0	0	0	108.6	S223 I225	S223-V553 PolarHBondContact O-N 3.3Å; I225-V553 HydrophobicContact CD1-CG2 3.78Å; I225-V553 HydrophobicContact CG1-CG2 3.5Å; I225-V553 VanDerWaalsContact CG1-CG2 3.5Å
554	S	70.9	Confident	72.4	Confident	41 Å²	41	68.3 Å²	68.3	29%	0.287	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-92.7	140.2	178	-55.5	0	0	0	0	110.5	N556 E586	S554-N556 PolarHBondContact O-N 3.46Å; S554-E586 WeakPolarHBondContact CB-OE1 3.44Å; S554-E586 WeakPolarHBondContact CB-OE2 3.5Å; S554-E586 PolarHBondContact OG-OE1 3.33Å; S554-E586 PolarHBondContact OG-OE2 2.99Å
555	D	58.9	Low	71.3	Confident	150 Å²	150	65.6 Å²	65.6	80%	0.802	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-4.1	-175.9	-73.9	-27.4	0	0	0	115.3
556	N	46.5	Very low	70.8	Confident	150 Å²	150	64.5 Å²	64.5	80%	0.802	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	3.1	-172.7	-86.6	-9.3	0	0	0	115	S554 E558	S554-N556 PolarHBondContact O-N 3.46Å; N556-E558 PolarHBondContact O-N 3.15Å; N556-E558 VanDerWaalsContact O-N 3.08Å
557	S	50.3	Low	70.7	Confident	67 Å²	67	63.7 Å²	63.7	47%	0.469	33%	0.329	S	S	.	.			trans	-71.5	107	172.1	57.5	0	0	0	0	109.7	K559	S557-K559 PolarHBondContact O-N 3.33Å
558	E	46.1	Very low	70.6	Confident	173 Å²	173	60.3 Å²	60.3	81%	0.808	32%	0.315	S	S	*	.			trans	-45.7	138.3	161	-69.4	-174.3	157.6	0	0	108.4	N556 I560	N556-E558 PolarHBondContact O-N 3.15Å; N556-E558 VanDerWaalsContact O-N 3.08Å; E558-I560 WeakPolarHBondContact O-CG1 3.23Å; E558-I560 PolarHBondContact O-N 3.17Å
559	K	53.1	Low	70.8	Confident	216 Å²	216	60.1 Å²	60.1	94%	0.939	31%	0.314	S	S	*	.			trans	-57.3	73.3	-170.6	-64.7	177.7	178.4	-178.9	0	113.3	S557	S557-K559 PolarHBondContact O-N 3.33Å
560	I	57.1	Low	70.8	Confident	59 Å²	59	63 Å²	63	30%	0.303	32%	0.323	S	S	.	.			trans	-74.6	140.1	169.9	-68.3	164.9	0	0	0	106.7	E558 H562 E565 F714	E558-I560 WeakPolarHBondContact O-CG1 3.23Å; E558-I560 PolarHBondContact O-N 3.17Å; I560-H562 PolarHBondContact O-N 3.45Å; I560-H562 VanDerWaalsContact O-N 3.14Å; I560-E565 HydrophobicContact CG2-CG 4.13Å; I560-F714 HydrophobicContact CG2-CE1 4.32Å; I560-F714 HydrophobicContact CG2-CE2 4.35Å; I560-F714 HydrophobicContact CG2-CZ 3.54Å
561	P	57.6	Low	71	Confident	24 Å²	24	63.6 Å²	63.6	16%	0.156	33%	0.326	C	S	.	.			trans	-60.1	120.1	176.2	-18.3	29.5	0	0	0	110.5	K17 L563 F564 L731	K17-P561 HydrophobicContact CG-CG 4.45Å; P561-L563 PolarHBondContact O-N 3.26Å; P561-F564 HydrophobicContact CB-CD2 4.11Å; P561-F564 HydrophobicContact CG-CD2 4.33Å; P561-F564 PolarHBondContact O-N 3.02Å; P561-F564 VanDerWaalsContact O-N 3.15Å; P561-L731 HydrophobicContact CG-CD1 3.93Å
562	H	62.9	Low	71.1	Confident	107 Å²	107	63.1 Å²	63.1	50%	0.495	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.7	-177.6	-64.1	-41	0	0	0	115.4	R199 I560 F564 E565	R199-H562 VanDerWaalsContact CZ-ND1 3.35Å; R199-H562 VanDerWaalsContact NH1-CB 3.32Å; R199-H562 PolarHBondContact NH1-ND1 3.05Å; R199-H562 PolarHBondContact NH2-CE1 2.94Å; R199-H562 PolarHBondContact NH2-ND1 3.27Å; I560-H562 PolarHBondContact O-N 3.45Å; I560-H562 VanDerWaalsContact O-N 3.14Å; H562-F564 VanDerWaalsContact C-N 3.32Å; H562-F564 PolarHBondContact O-N 3.2Å; H562-E565 IonicContact ND1-OE2 2.77Å; H562-E565 PolarHBondContact ND1-OE2 2.86Å; H562-E565 VanDerWaalsContact ND1-OE2 3.12Å
563	L	58.8	Low	71.1	Confident	53 Å²	53	67 Å²	67	28%	0.277	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.7	-178.2	-67.7	153.2	0	0	0	113.8	C18 T62 A63 P561	C18-L563 HydrophobicContact CB-CB 4.18Å; C18-L563 HydrophobicContact CB-CD1 3.8Å; C18-L563 HydrophobicContact CB-CG 4.48Å; T62-L563 WeakPolarHBondContact O-CD1 3.37Å; T62-L563 VanDerWaalsContact O-CD2 3.26Å; T62-L563 WeakPolarHBondContact O-CD2 3.35Å; T62-L563 WeakPolarHBondContact O-CG 3.42Å; A63-L563 HydrophobicContact CB-CD2 4.03Å; P561-L563 PolarHBondContact O-N 3.26Å
564	F	61.7	Low	71.4	Confident	8 Å²	8	72.8 Å²	72.8	4%	0.035	36%	0.36	C	S	.	.	S	Bend	trans	-98.4	-8.6	177.8	-66.4	-63.3	0	0	0	113.4	V16 K17 M19 P561 H562 R640 F714 L727	V16-F564 HydrophobicContact CG1-CZ 3.91Å; V16-F564 WeakPolarHBondContact O-CE2 3.31Å; K17-F564 WeakPolarHBondContact O-CD2 3.39Å; K17-F564 WeakPolarHBondContact O-CE2 3.24Å; M19-F564 HydrophobicContact CB-CE1 4.24Å; M19-F564 HydrophobicContact CE-CD1 4.18Å; M19-F564 HydrophobicContact CE-CE1 3.77Å; M19-F564 HydrophobicContact CG-CE1 3.76Å; M19-F564 HydrophobicContact CG-CZ 4.47Å; M19-F564 HydrophobicContact SD-CE1 3.99Å; P561-F564 HydrophobicContact CB-CD2 4.11Å; P561-F564 HydrophobicContact CG-CD2 4.33Å; P561-F564 PolarHBondContact O-N 3.02Å; P561-F564 VanDerWaalsContact O-N 3.15Å; H562-F564 VanDerWaalsContact C-N 3.32Å; H562-F564 PolarHBondContact O-N 3.2Å; F564-R640 VanDerWaalsContact C-NH2 3.32Å; F564-R640 PolarHBondContact O-NH2 2.75Å; F564-F714 HydrophobicContact CB-CB 4.42Å; F564-F714 HydrophobicContact CB-CD1 3.48Å; F564-F714 VanDerWaalsContact CB-CD1 3.48Å; F564-F714 HydrophobicContact CB-CD2 4.18Å; F564-F714 HydrophobicContact CB-CE1 3.62Å; F564-F714 HydrophobicContact CB-CE2 4.32Å; F564-F714 HydrophobicContact CB-CG 3.76Å; F564-F714 HydrophobicContact CB-CZ 4.06Å; F564-F714 HydrophobicContact CD1-CB 4.32Å; F564-F714 HydrophobicContact CD1-CG 4.42Å; F564-F714 HydrophobicContact CG-CD1 4.35Å; F564-F714 HydrophobicContact CG-CD2 4.33Å; F564-F714 HydrophobicContact CG-CG 4.14Å; F564-F714 WeakPolarHBondContact O-CD1 3.37Å; F564-L727 HydrophobicContact CE1-CD2 4.26Å; F564-L727 HydrophobicContact CE2-CD2 4Å; F564-L727 HydrophobicContact CZ-CD2 3.79Å
565	E	69.8	Low	72.1	Confident	47 Å²	47	71.8 Å²	71.8	22%	0.22	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-78	149.2	-173.2	-64.4	-179	148.9	0	0	111.6	R199 I560 H562 R640	R199-E565 IonicContact NH1-OE2 2.76Å; R199-E565 PolarHBondContact NH1-OE2 3.42Å; I560-E565 HydrophobicContact CG2-CG 4.13Å; H562-E565 IonicContact ND1-OE2 2.77Å; H562-E565 PolarHBondContact ND1-OE2 2.86Å; H562-E565 VanDerWaalsContact ND1-OE2 3.12Å; E565-R640 PolarHBondContact O-NH2 2.92Å
566	L	78.9	Confident	73.6	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.141	33%	0.333	C	S	.	.	S	Bend	trans	-69.1	146.4	159.6	-70	171.9	0	0	0	108.4	C583 A639	L566-C583 HydrophobicContact CD1-CB 4.15Å; L566-C583 VanDerWaalsContact CD1-SG 3.56Å; L566-A639 HydrophobicContact CD2-CB 4.21Å; L566-A639 WeakPolarHBondContact CD2-O 3.39Å
567	P	88.8	Confident	75.8	Confident	10 Å²	10	62.5 Å²	62.5	7%	0.065	30%	0.302	C	S	.	.	P	Polyproline II helix	cis	-80	144	13.4	-20.6	36	0	0	0	116.4	I213 I225 Y551 V580 V581 F582	I213-P567 HydrophobicContact CD1-CB 4.2Å; I213-P567 HydrophobicContact CD1-CG 4.46Å; I213-P567 HydrophobicContact CG1-CB 4.11Å; I213-P567 HydrophobicContact CG2-CB 4.34Å; I213-P567 HydrophobicContact CG2-CG 3.91Å; I225-P567 HydrophobicContact CG2-CG 3.89Å; Y551-P567 HydrophobicContact CE1-CG 4.46Å; P567-V580 HydrophobicContact CB-CG1 3.81Å; P567-V581 CarbonylContact C-O 3.59Å; P567-V581 VanDerWaalsContact CA-O 3.3Å; P567-V581 WeakPolarHBondContact CA-O 3.34Å; P567-F582 HydrophobicContact CB-CB 3.79Å; P567-F582 HydrophobicContact CG-CB 3.8Å
568	S	90.6	Very high	77.9	Confident	10 Å²	10	59.3 Å²	59.3	7%	0.07	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.3	170.9	-169.1	0	0	0	0	111.2	V580 V581 R640	S568-V580 WeakPolarHBondContact O-CA 3.44Å; S568-V581 PolarHBondContact N-O 3.25Å; S568-V581 PolarHBondContact O-N 2.98Å; S568-R640 VanDerWaalsContact CB-NH1 3.35Å; S568-R640 WeakPolarHBondContact OG-CD 3.27Å; S568-R640 PolarHBondContact OG-NH1 2.75Å
569	L	93.1	Very high	80.2	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.089	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	147.4	171.6	-68.4	177.5	0	0	0	111.9	I213 Y227 C579 V580	I213-L569 HydrophobicContact CD1-CD2 4.07Å; I213-L569 HydrophobicContact CG1-CD1 4Å; I213-L569 HydrophobicContact CG1-CD2 3.82Å; I213-L569 HydrophobicContact CG1-CG 3.8Å; Y227-L569 HydrophobicContact CE2-CD2 4.35Å; L569-C579 CarbonylContact C-O 3.47Å; L569-V580 HydrophobicContact CD2-CB 4.07Å; L569-V580 HydrophobicContact CD2-CG1 3.9Å; L569-V580 HydrophobicContact CD2-CG2 3.36Å
570	W	93.2	Very high	82.2	Confident	77 Å²	77	41.1 Å²	41.1	29%	0.292	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.8	172.9	179.2	-102.5	0	0	0	110.9	C579 F641 D644	W570-C579 HydrophobicContact CB-CB 4.42Å; W570-C579 PolarHBondContact N-O 3.43Å; W570-C579 PolarHBondContact O-N 3.24Å; W570-F641 HydrophobicContact CB-CB 4Å; W570-F641 HydrophobicContact CB-CD1 3.96Å; W570-F641 HydrophobicContact CB-CD2 3.29Å; W570-F641 HydrophobicContact CB-CE1 4.24Å; W570-F641 HydrophobicContact CB-CE2 3.6Å; W570-F641 HydrophobicContact CB-CG 3.47Å; W570-F641 VanDerWaalsContact CB-CG 3.47Å; W570-F641 HydrophobicContact CB-CZ 4.07Å; W570-F641 AromaticContact CD1-CD1 3.89Å; W570-F641 HydrophobicContact CD2-CB 3.62Å; W570-F641 HydrophobicContact CD2-CG 4.05Å; W570-F641 HydrophobicContact CE3-CB 3.77Å; W570-F641 HydrophobicContact CG-CB 3.74Å; W570-F641 AromaticContact CG-CD1 3.87Å; W570-F641 HydrophobicContact CG-CD1 3.87Å; W570-F641 AromaticContact CG-CD2 3.96Å; W570-F641 HydrophobicContact CG-CD2 3.96Å; W570-F641 HydrophobicContact CG-CE1 4.46Å; W570-F641 AromaticContact CG-CG 3.58Å; W570-F641 HydrophobicContact CG-CG 3.58Å; W570-F641 HydrophobicContact CZ3-CB 4.46Å; W570-D644 PolarHBondContact NE1-OD1 2.55Å
571	N	94.1	Very high	83.9	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	107.1	169.4	179	-120.9	0	0	0	109.3	S205 K573 M577	S205-N571 PolarHBondContact N-OD1 3Å; S205-N571 PolarHBondContact OG-OD1 3.45Å; N571-K573 PolarHBondContact O-N 3.46Å; N571-K573 VanDerWaalsContact O-N 3.15Å; N571-M577 PolarHBondContact ND2-O 2.9Å
572	D	91.4	Very high	85.6	Confident	14 Å²	14	37.2 Å²	37.2	8%	0.075	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	104.1	169.7	170.2	8.9	0	0	0	108.5	K574 G575 K576 M577	D572-K574 PolarHBondContact OD1-N 3.49Å; D572-G575 VanDerWaalsContact CG-N 3.32Å; D572-G575 PolarHBondContact OD1-N 3.2Å; D572-G575 VanDerWaalsContact OD2-CA 3.3Å; D572-G575 WeakPolarHBondContact OD2-CA 3.1Å; D572-G575 PolarHBondContact OD2-N 2.89Å; D572-K576 WeakPolarHBondContact O-CA 3.33Å; D572-K576 PolarHBondContact O-N 3.01Å; D572-M577 HydrophobicContact CB-CB 4.45Å; D572-M577 PolarHBondContact N-O 3.01Å; D572-M577 PolarHBondContact O-N 3.03Å; D572-M577 VanDerWaalsContact O-N 3.15Å; D572-M577 WeakPolarHBondContact OD2-CE 3.16Å
573	K	88.6	Confident	86.8	Confident	106 Å²	106	32.8 Å²	32.8	46%	0.461	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-35.2	-175.1	-59.2	-177.1	-178	-179.1	0	111.5	V112 N571	V112-K573 HydrophobicContact CG2-CD 4.17Å; N571-K573 PolarHBondContact O-N 3.46Å; N571-K573 VanDerWaalsContact O-N 3.15Å
574	K	86.9	Confident	88.2	Confident	160 Å²	160	30.4 Å²	30.4	70%	0.696	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-47.5	-178	-66.6	176.3	-174.3	168.4	0	110.8	D572 K576 D644	D572-K574 PolarHBondContact OD1-N 3.49Å; K574-K576 VanDerWaalsContact C-N 3.3Å; K574-K576 PolarHBondContact O-N 2.88Å; K574-D644 WeakPolarHBondContact CD-OD2 3.46Å
575	G	85.8	Confident	88.9	Confident	20 Å²	20	34.2 Å²	34.2	21%	0.206	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.9	179.8	0	0	0	0	0	114.1	D572 M577 R603	D572-G575 VanDerWaalsContact CG-N 3.32Å; D572-G575 PolarHBondContact OD1-N 3.2Å; D572-G575 VanDerWaalsContact OD2-CA 3.3Å; D572-G575 WeakPolarHBondContact OD2-CA 3.1Å; D572-G575 PolarHBondContact OD2-N 2.89Å; G575-M577 WeakPolarHBondContact O-CG 3.14Å; G575-R603 PolarHBondContact O-NH1 2.78Å
576	K	90.9	Very high	89.3	Confident	76 Å²	76	38.5 Å²	38.5	33%	0.33	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	58	-170.4	-58.5	-168.5	179	-160.4	0	110.7	E113 D572 K574 T599 R603	E113-K576 IonicContact OE1-NZ 3.8Å; E113-K576 PolarHBondContact OE1-NZ 2.99Å; D572-K576 WeakPolarHBondContact O-CA 3.33Å; D572-K576 PolarHBondContact O-N 3.01Å; K574-K576 VanDerWaalsContact C-N 3.3Å; K574-K576 PolarHBondContact O-N 2.88Å; K576-T599 VanDerWaalsContact C-CG2 3.41Å; K576-T599 HydrophobicContact CB-CG2 4.39Å; K576-T599 PolarHBondContact O-N 3.12Å; K576-T599 VanDerWaalsContact O-N 3.08Å; K576-T599 PolarHBondContact O-OG1 3.35Å; K576-R603 PolarHBondContact O-NH1 2.88Å
577	M	92.4	Very high	89.5	Confident	28 Å²	28	41.2 Å²	41.2	14%	0.138	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.1	-177	-51.4	-175.9	-70.5	0	0	111.3	N571 D572 G575 K597 I605	N571-M577 PolarHBondContact ND2-O 2.9Å; D572-M577 HydrophobicContact CB-CB 4.45Å; D572-M577 PolarHBondContact N-O 3.01Å; D572-M577 PolarHBondContact O-N 3.03Å; D572-M577 VanDerWaalsContact O-N 3.15Å; D572-M577 WeakPolarHBondContact OD2-CE 3.16Å; G575-M577 WeakPolarHBondContact O-CG 3.14Å; M577-K597 CarbonylContact C-O 3.53Å; M577-K597 VanDerWaalsContact CA-O 3.3Å; M577-K597 WeakPolarHBondContact CA-O 3.4Å; M577-I605 HydrophobicContact CB-CD1 3.97Å; M577-I605 HydrophobicContact CG-CD1 3.54Å; M577-I605 HydrophobicContact SD-CD1 3.49Å; M577-I605 WeakPolarHBondContact SD-CD1 3.38Å; M577-I605 HydrophobicContact SD-CG1 4.17Å; M577-I605 HydrophobicContact SD-CG2 4.16Å
578	H	94.6	Very high	89.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127	164	-68.5	-61.6	0	0	0	108.7	S202 S209 S211 R596 K597	S202-H578 PolarHBondContact O-CE1 2.99Å; S202-H578 VanDerWaalsContact O-CE1 3.27Å; S209-H578 PolarHBondContact O-NE2 3.49Å; S209-H578 PolarHBondContact OG-CD2 3.41Å; S209-H578 PolarHBondContact OG-NE2 3.02Å; S211-H578 PolarHBondContact OG-ND1 2.82Å; H578-R596 CarbonylContact O-C 3.59Å; H578-R596 VanDerWaalsContact O-CA 3.32Å; H578-R596 WeakPolarHBondContact O-CA 3.33Å; H578-K597 PolarHBondContact N-O 2.7Å; H578-K597 PolarHBondContact O-N 2.87Å
579	C	93.9	Very high	88.7	Confident	7 Å²	7	44.7 Å²	44.7	5%	0.047	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.5	178.2	-61	0	0	0	0	109.4	L569 W570 L594 L595 F641	L569-C579 CarbonylContact C-O 3.47Å; W570-C579 HydrophobicContact CB-CB 4.42Å; W570-C579 PolarHBondContact N-O 3.43Å; W570-C579 PolarHBondContact O-N 3.24Å; C579-L594 HydrophobicContact CB-CD1 4.43Å; C579-L595 CarbonylContact C-O 3.54Å; C579-L595 VanDerWaalsContact CA-O 3.32Å; C579-L595 WeakPolarHBondContact CA-O 3.46Å; C579-F641 HydrophobicContact CB-CE1 3.74Å; C579-F641 HydrophobicContact CB-CE2 4.27Å; C579-F641 HydrophobicContact CB-CZ 3.41Å; C579-F641 VanDerWaalsContact CB-CZ 3.41Å
580	V	94.6	Very high	88.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.5	177.7	-166	0	0	0	0	108.6	I213 Y227 P567 S568 L569 F582 L594 L595	I213-V580 HydrophobicContact CD1-CG1 3.86Å; I213-V580 HydrophobicContact CG1-CG1 4.47Å; Y227-V580 HydrophobicContact CD2-CG2 3.73Å; Y227-V580 HydrophobicContact CE2-CG2 3.63Å; P567-V580 HydrophobicContact CB-CG1 3.81Å; S568-V580 WeakPolarHBondContact O-CA 3.44Å; L569-V580 HydrophobicContact CD2-CB 4.07Å; L569-V580 HydrophobicContact CD2-CG1 3.9Å; L569-V580 HydrophobicContact CD2-CG2 3.36Å; V580-F582 HydrophobicContact CG1-CD1 4.18Å; V580-L594 WeakPolarHBondContact O-CA 3.46Å; V580-L595 HydrophobicContact CB-CB 4.1Å; V580-L595 HydrophobicContact CG2-CB 4.29Å; V580-L595 HydrophobicContact CG2-CD2 4.06Å; V580-L595 HydrophobicContact CG2-CG 4.37Å; V580-L595 PolarHBondContact N-O 3.35Å; V580-L595 PolarHBondContact O-N 2.91Å
581	V	93.4	Very high	88.1	Confident	1 Å²	1	44 Å²	44	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.6	172.7	172.7	0	0	0	0	109.5	P567 S568 L592 Y593 L594 A639 F641 L647	P567-V581 CarbonylContact C-O 3.59Å; P567-V581 VanDerWaalsContact CA-O 3.3Å; P567-V581 WeakPolarHBondContact CA-O 3.34Å; S568-V581 PolarHBondContact N-O 3.25Å; S568-V581 PolarHBondContact O-N 2.98Å; V581-L592 HydrophobicContact CG1-CD1 3.45Å; V581-L592 VanDerWaalsContact CG1-CD1 3.45Å; V581-L592 HydrophobicContact CG1-CD2 4.29Å; V581-L592 HydrophobicContact CG1-CG 4Å; V581-Y593 WeakPolarHBondContact CA-O 3.39Å; V581-L594 HydrophobicContact CG2-CD1 3.64Å; V581-A639 HydrophobicContact CG1-CB 3.63Å; V581-F641 HydrophobicContact CB-CE2 4.13Å; V581-F641 HydrophobicContact CB-CZ 4.43Å; V581-F641 HydrophobicContact CG2-CE1 4.37Å; V581-F641 HydrophobicContact CG2-CE2 3.62Å; V581-F641 HydrophobicContact CG2-CZ 3.46Å; V581-F641 VanDerWaalsContact CG2-CZ 3.46Å; V581-L647 HydrophobicContact CG1-CD2 4.24Å; V581-L647 HydrophobicContact CG2-CD1 4.03Å; V581-L647 HydrophobicContact CG2-CD2 4.26Å
582	F	92.5	Very high	87.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	167.3	178.8	62.7	-85.5	0	0	0	112.6	L550 Y551 P567 V580 M584 Y593 L595 F609 L686	L550-F582 HydrophobicContact CD1-CD1 4.3Å; L550-F582 HydrophobicContact CD1-CE1 4.16Å; L550-F582 HydrophobicContact CD1-CZ 4.36Å; Y551-F582 HydrophobicContact CD1-CD2 4Å; Y551-F582 HydrophobicContact CD1-CE2 4.18Å; Y551-F582 HydrophobicContact CE1-CB 4.4Å; Y551-F582 AromaticContact CE1-CD2 3.62Å; Y551-F582 HydrophobicContact CE1-CD2 3.62Å; Y551-F582 HydrophobicContact CE1-CE2 4.23Å; Y551-F582 HydrophobicContact CE1-CG 4.23Å; P567-F582 HydrophobicContact CB-CB 3.79Å; P567-F582 HydrophobicContact CG-CB 3.8Å; V580-F582 HydrophobicContact CG1-CD1 4.18Å; F582-M584 HydrophobicContact CD2-CE 4.49Å; F582-M584 HydrophobicContact CD2-CG 4.44Å; F582-M584 HydrophobicContact CE2-CE 3.59Å; F582-M584 HydrophobicContact CE2-CG 4.34Å; F582-M584 HydrophobicContact CZ-CE 4.4Å; F582-Y593 HydrophobicContact CD2-CD2 4.27Å; F582-Y593 HydrophobicContact CD2-CG 4.43Å; F582-Y593 HydrophobicContact CE2-CD2 4.01Å; F582-Y593 AromaticContact CE2-CG 3.88Å; F582-Y593 HydrophobicContact CE2-CG 3.88Å; F582-Y593 HydrophobicContact CZ-CG 4.17Å; F582-Y593 PolarHBondContact N-O 2.87Å; F582-Y593 VanDerWaalsContact N-O 3.1Å; F582-Y593 PolarHBondContact O-N 2.8Å; F582-L595 HydrophobicContact CE1-CB 4.42Å; F582-F609 AromaticContact CE1-CE2 3.92Å; F582-F609 HydrophobicContact CE1-CE2 3.92Å; F582-F609 HydrophobicContact CE1-CZ 4.48Å; F582-F609 AromaticContact CZ-CE2 3.67Å; F582-F609 HydrophobicContact CZ-CE2 3.67Å; F582-F609 AromaticContact CZ-CZ 3.83Å; F582-F609 HydrophobicContact CZ-CZ 3.83Å; F582-L686 HydrophobicContact CE2-CD2 4.05Å; F582-L686 HydrophobicContact CZ-CD2 3.6Å
583	C	89.6	Confident	87.9	Confident	15 Å²	15	42.8 Å²	42.8	10%	0.101	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.4	179.3	-64.7	0	0	0	0	110.3	L566 L592 C636	L566-C583 HydrophobicContact CD1-CB 4.15Å; L566-C583 VanDerWaalsContact CD1-SG 3.56Å; C583-L592 WeakPolarHBondContact SG-CD1 3.42Å; C583-C636 VanDerWaalsContact SG-SG 3.67Å
584	M	87.7	Confident	88	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.015	20%	0.201	C	C	.	.			trans	-122	78	172.6	-61.8	-175.6	-171	0	0	108.9	Y551 F582 E586 I587 S588 Y593 L686 D687	Y551-M584 HydrophobicContact CD1-CE 4.02Å; Y551-M584 HydrophobicContact CD1-CG 3.98Å; Y551-M584 HydrophobicContact CG-CE 4.41Å; Y551-M584 HydrophobicContact CG-CG 4.07Å; F582-M584 HydrophobicContact CD2-CE 4.49Å; F582-M584 HydrophobicContact CD2-CG 4.44Å; F582-M584 HydrophobicContact CE2-CE 3.59Å; F582-M584 HydrophobicContact CE2-CG 4.34Å; F582-M584 HydrophobicContact CZ-CE 4.4Å; M584-E586 VanDerWaalsContact C-N 3.32Å; M584-E586 PolarHBondContact O-N 2.76Å; M584-I587 HydrophobicContact CB-CB 4.29Å; M584-I587 HydrophobicContact CB-CD1 4.08Å; M584-I587 HydrophobicContact CG-CD1 4.5Å; M584-I587 PolarHBondContact O-N 2.78Å; M584-I587 HydrophobicContact SD-CD1 3.96Å; M584-S588 CarbonylContact O-C 3.51Å; M584-S588 PolarHBondContact O-N 2.95Å; M584-S588 PolarHBondContact O-OG 3.27Å; M584-Y593 HydrophobicContact CB-CE2 4.03Å; M584-Y593 HydrophobicContact CG-CD2 4.23Å; M584-Y593 HydrophobicContact CG-CE2 3.93Å; M584-Y593 HydrophobicContact SD-CE2 4.22Å; M584-L686 HydrophobicContact CE-CB 3.99Å; M584-L686 HydrophobicContact CE-CD2 3.52Å; M584-L686 HydrophobicContact CE-CG 3.75Å; M584-D687 HydrophobicContact CE-CB 4.39Å; M584-D687 HydrophobicContact SD-CB 3.94Å
585	P	76.6	Confident	88.3	Confident	88 Å²	88	30.2 Å²	30.2	57%	0.571	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.2	-166.7	22.2	-32.3	0	0	0	113.6	I587 P589	P585-I587 VanDerWaalsContact C-N 3.34Å; P585-I587 PolarHBondContact O-N 2.92Å; P585-P589 WeakPolarHBondContact O-CA 3.39Å; P585-P589 WeakPolarHBondContact O-CB 3.47Å; P585-P589 WeakPolarHBondContact O-CD 3.44Å
586	E	78.7	Confident	88.6	Confident	136 Å²	136	30.6 Å²	30.6	64%	0.636	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-26	-178.3	-60	-169.2	171	0	0	113.7	S554 M584	S554-E586 WeakPolarHBondContact CB-OE1 3.44Å; S554-E586 WeakPolarHBondContact CB-OE2 3.5Å; S554-E586 PolarHBondContact OG-OE1 3.33Å; S554-E586 PolarHBondContact OG-OE2 2.99Å; M584-E586 VanDerWaalsContact C-N 3.32Å; M584-E586 PolarHBondContact O-N 2.76Å
587	I	81.4	Confident	88.6	Confident	85 Å²	85	29.7 Å²	29.7	44%	0.436	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-44.9	-176.9	-63.2	145.6	0	0	0	110.2	M584 P585 D687	M584-I587 HydrophobicContact CB-CB 4.29Å; M584-I587 HydrophobicContact CB-CD1 4.08Å; M584-I587 HydrophobicContact CG-CD1 4.5Å; M584-I587 PolarHBondContact O-N 2.78Å; M584-I587 HydrophobicContact SD-CD1 3.96Å; P585-I587 VanDerWaalsContact C-N 3.34Å; P585-I587 PolarHBondContact O-N 2.92Å; I587-D687 HydrophobicContact CD1-CB 3.41Å; I587-D687 VanDerWaalsContact CD1-CB 3.41Å
588	S	82.9	Confident	88.6	Confident	14 Å²	14	28.5 Å²	28.5	10%	0.098	15%	0.154	C	C	.	.			trans	-147.4	81.9	-174.5	60.1	0	0	0	0	110.3	M584 S590 K591 Y593	M584-S588 CarbonylContact O-C 3.51Å; M584-S588 PolarHBondContact O-N 2.95Å; M584-S588 PolarHBondContact O-OG 3.27Å; S588-S590 PolarHBondContact O-N 2.8Å; S588-K591 PolarHBondContact O-N 3.09Å; S588-Y593 WeakPolarHBondContact CB-OH 3.4Å; S588-Y593 WeakPolarHBondContact OG-CE2 3.38Å; S588-Y593 PolarHBondContact OG-OH 2.74Å
589	P	80.8	Confident	88.5	Confident	78 Å²	78	28.7 Å²	28.7	51%	0.506	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.4	-172	23.5	-33.5	0	0	0	113.9	P585 S635	P585-P589 WeakPolarHBondContact O-CA 3.39Å; P585-P589 WeakPolarHBondContact O-CB 3.47Å; P585-P589 WeakPolarHBondContact O-CD 3.44Å; P589-S635 VanDerWaalsContact O-CA 3.24Å; P589-S635 WeakPolarHBondContact O-CA 3.42Å; P589-S635 VanDerWaalsContact O-CB 3.26Å; P589-S635 WeakPolarHBondContact O-CB 2.97Å
590	S	83.9	Confident	88.4	Confident	27 Å²	27	30.9 Å²	30.9	19%	0.189	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	15	-178.7	69.4	0	0	0	0	114.3	S588 L614 Y634	S588-S590 PolarHBondContact O-N 2.8Å; S590-L614 WeakPolarHBondContact O-CB 3.31Å; S590-L614 WeakPolarHBondContact O-CG 3.44Å; S590-L614 PolarHBondContact O-N 2.82Å; S590-Y634 VanDerWaalsContact CA-O 3.32Å; S590-Y634 WeakPolarHBondContact CA-O 3.4Å; S590-Y634 WeakPolarHBondContact CB-O 3.36Å
591	K	88.6	Confident	88.1	Confident	52 Å²	52	32.7 Å²	32.7	23%	0.226	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.5	-178.9	-67.8	-169.7	177.6	-170.8	0	112.5	S588 Y593 F612	S588-K591 PolarHBondContact O-N 3.09Å; K591-Y593 HydrophobicContact CB-CE2 4.04Å; K591-F612 WeakPolarHBondContact CA-O 3.3Å
592	L	90.2	Very high	87.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.3	169.8	-177.8	68.4	0	0	0	109.1	V581 C583 S611 F612 L614 C636 A639 L647 V649	V581-L592 HydrophobicContact CG1-CD1 3.45Å; V581-L592 VanDerWaalsContact CG1-CD1 3.45Å; V581-L592 HydrophobicContact CG1-CD2 4.29Å; V581-L592 HydrophobicContact CG1-CG 4Å; C583-L592 WeakPolarHBondContact SG-CD1 3.42Å; L592-S611 CarbonylContact O-C 3.52Å; L592-S611 VanDerWaalsContact O-CA 3.3Å; L592-S611 WeakPolarHBondContact O-CA 3.41Å; L592-F612 HydrophobicContact CB-CB 4.33Å; L592-F612 HydrophobicContact CB-CD2 4.47Å; L592-F612 HydrophobicContact CD2-CD2 4.32Å; L592-F612 HydrophobicContact CG-CD2 4.45Å; L592-F612 PolarHBondContact N-O 3.29Å; L592-F612 PolarHBondContact O-N 2.95Å; L592-L614 HydrophobicContact CB-CD1 4.42Å; L592-L614 HydrophobicContact CB-CD2 4.17Å; L592-L614 HydrophobicContact CB-CG 4.48Å; L592-C636 HydrophobicContact CD1-CB 4.42Å; L592-A639 HydrophobicContact CD1-CB 4.11Å; L592-L647 HydrophobicContact CD2-CD2 3.65Å; L592-V649 HydrophobicContact CD2-CG1 4.08Å
593	Y	91.4	Very high	87.7	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.4	-178.3	-62.8	-84.5	0	0	0	111.2	V581 F582 M584 S588 K591 F609 I693	V581-Y593 WeakPolarHBondContact CA-O 3.39Å; F582-Y593 HydrophobicContact CD2-CD2 4.27Å; F582-Y593 HydrophobicContact CD2-CG 4.43Å; F582-Y593 HydrophobicContact CE2-CD2 4.01Å; F582-Y593 AromaticContact CE2-CG 3.88Å; F582-Y593 HydrophobicContact CE2-CG 3.88Å; F582-Y593 HydrophobicContact CZ-CG 4.17Å; F582-Y593 PolarHBondContact N-O 2.87Å; F582-Y593 VanDerWaalsContact N-O 3.1Å; F582-Y593 PolarHBondContact O-N 2.8Å; M584-Y593 HydrophobicContact CB-CE2 4.03Å; M584-Y593 HydrophobicContact CG-CD2 4.23Å; M584-Y593 HydrophobicContact CG-CE2 3.93Å; M584-Y593 HydrophobicContact SD-CE2 4.22Å; S588-Y593 WeakPolarHBondContact CB-OH 3.4Å; S588-Y593 WeakPolarHBondContact OG-CE2 3.38Å; S588-Y593 PolarHBondContact OG-OH 2.74Å; K591-Y593 HydrophobicContact CB-CE2 4.04Å; Y593-F609 HydrophobicContact CD1-CE1 4.09Å; Y593-F609 AromaticContact CD1-CZ 3.69Å; Y593-F609 HydrophobicContact CD1-CZ 3.69Å; Y593-F609 HydrophobicContact CG-CZ 4.2Å; Y593-I693 HydrophobicContact CD1-CD1 4.19Å; Y593-I693 HydrophobicContact CE1-CD1 3.63Å; Y593-I693 HydrophobicContact CE1-CG2 4.47Å
594	L	91.9	Very high	87.4	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.9	176.6	175.2	68.5	0	0	0	110.1	C579 V580 V581 R596 F609 M610 F612 F641 L668 L672	C579-L594 HydrophobicContact CB-CD1 4.43Å; V580-L594 WeakPolarHBondContact O-CA 3.46Å; V581-L594 HydrophobicContact CG2-CD1 3.64Å; L594-R596 HydrophobicContact CD1-CG 4.24Å; L594-R596 HydrophobicContact CD2-CG 4.28Å; L594-R596 HydrophobicContact CG-CG 4.03Å; L594-F609 WeakPolarHBondContact O-CA 3.5Å; L594-M610 PolarHBondContact N-O 3.41Å; L594-M610 PolarHBondContact O-N 2.95Å; L594-F612 HydrophobicContact CB-CE2 3.7Å; L594-F612 HydrophobicContact CB-CZ 4.37Å; L594-F612 HydrophobicContact CD2-CE2 3.97Å; L594-F612 HydrophobicContact CD2-CZ 3.98Å; L594-F612 HydrophobicContact CG-CE2 4.49Å; L594-F641 HydrophobicContact CD1-CZ 4.07Å; L594-L668 HydrophobicContact CD2-CD2 4.08Å; L594-L672 HydrophobicContact CD2-CD2 3.82Å
595	L	92	Very high	87.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.9	170.7	173.6	68.2	0	0	0	109.4	Y227 L548 C579 V580 F582 K597 S608 F609	Y227-L595 HydrophobicContact CD1-CD2 3.92Å; Y227-L595 HydrophobicContact CD2-CD2 3.97Å; Y227-L595 HydrophobicContact CE1-CD2 4.3Å; Y227-L595 HydrophobicContact CE2-CD2 4.33Å; Y227-L595 HydrophobicContact CG-CD2 3.73Å; L548-L595 HydrophobicContact CD1-CD1 4.33Å; L548-L595 HydrophobicContact CD1-CD2 4.3Å; C579-L595 CarbonylContact C-O 3.54Å; C579-L595 VanDerWaalsContact CA-O 3.32Å; C579-L595 WeakPolarHBondContact CA-O 3.46Å; V580-L595 HydrophobicContact CB-CB 4.1Å; V580-L595 HydrophobicContact CG2-CB 4.29Å; V580-L595 HydrophobicContact CG2-CD2 4.06Å; V580-L595 HydrophobicContact CG2-CG 4.37Å; V580-L595 PolarHBondContact N-O 3.35Å; V580-L595 PolarHBondContact O-N 2.91Å; F582-L595 HydrophobicContact CE1-CB 4.42Å; L595-K597 HydrophobicContact CD1-CG 4.31Å; L595-S608 CarbonylContact C-O 3.59Å; L595-S608 WeakPolarHBondContact CA-O 3.43Å; L595-F609 HydrophobicContact CB-CD2 3.8Å; L595-F609 HydrophobicContact CB-CE2 4.07Å; L595-F609 HydrophobicContact CD1-CD2 3.82Å; L595-F609 HydrophobicContact CG-CD2 4.41Å
596	R	91.6	Very high	87.5	Confident	28 Å²	28	51.4 Å²	51.4	11%	0.106	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127	177	-60.6	-175	-64.8	158.5	3.2	110.1	H578 L594 I605 P606 N607 S608	H578-R596 CarbonylContact O-C 3.59Å; H578-R596 VanDerWaalsContact O-CA 3.32Å; H578-R596 WeakPolarHBondContact O-CA 3.33Å; L594-R596 HydrophobicContact CD1-CG 4.24Å; L594-R596 HydrophobicContact CD2-CG 4.28Å; L594-R596 HydrophobicContact CG-CG 4.03Å; R596-I605 HydrophobicContact CB-CG2 4.34Å; R596-P606 PolarHBondContact NH2-O 3.22Å; R596-N607 PolarHBondContact NE-O 3.15Å; R596-N607 VanDerWaalsContact NH2-CB 3.32Å; R596-N607 PolarHBondContact NH2-O 3.19Å; R596-S608 PolarHBondContact N-O 3.1Å; R596-S608 WeakPolarHBondContact O-CA 3.28Å; R596-S608 VanDerWaalsContact O-CB 3.31Å; R596-S608 WeakPolarHBondContact O-CB 3.39Å
597	K	92.1	Very high	87.5	Confident	57 Å²	57	45.9 Å²	45.9	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.1	178.1	-72.3	-65.6	-172	177.5	0	110.8	Y227 M577 H578 L595 I605	Y227-K597 HydrophobicContact CE1-CG 4.12Å; M577-K597 CarbonylContact C-O 3.53Å; M577-K597 VanDerWaalsContact CA-O 3.3Å; M577-K597 WeakPolarHBondContact CA-O 3.4Å; H578-K597 PolarHBondContact N-O 2.7Å; H578-K597 PolarHBondContact O-N 2.87Å; L595-K597 HydrophobicContact CD1-CG 4.31Å; K597-I605 WeakPolarHBondContact O-CD1 3.34Å
598	G	93	Very high	87.6	Confident	3 Å²	3	43.1 Å²	43.1	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	146.7	179	0	0	0	0	0	109.9	Q229 D600	Q229-G598 PolarHBondContact NE2-O 3.4Å; G598-D600 CarbonylContact C-O 3.32Å; G598-D600 PolarHBondContact O-N 3.45Å
599	T	92.4	Very high	87.8	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.018	22%	0.222	C	C	.	.	S	Bend	trans	-63.5	-32.1	169.1	54.8	0	0	0	0	111.1	S204 D206 K208 S209 K576 P601	S204-T599 VanDerWaalsContact CB-CG2 3.48Å; D206-T599 WeakPolarHBondContact OD2-CB 3.46Å; D206-T599 PolarHBondContact OD2-OG1 3.14Å; K208-T599 WeakPolarHBondContact CB-O 3.25Å; S209-T599 WeakPolarHBondContact CB-O 3.39Å; S209-T599 WeakPolarHBondContact OG-CA 3.32Å; S209-T599 PolarHBondContact OG-O 2.98Å; K576-T599 VanDerWaalsContact C-CG2 3.41Å; K576-T599 HydrophobicContact CB-CG2 4.39Å; K576-T599 PolarHBondContact O-N 3.12Å; K576-T599 VanDerWaalsContact O-N 3.08Å; K576-T599 PolarHBondContact O-OG1 3.35Å; T599-P601 WeakPolarHBondContact O-CD 3.33Å
600	D	92.1	Very high	88.2	Confident	53 Å²	53	39 Å²	39	28%	0.283	20%	0.198	S	C	.	.	S	Bend	trans	-82.2	117.5	162.2	-174.2	-23	0	0	0	108.9	K208 G598 N602 R603	K208-D600 HydrophobicContact CD-CB 4.27Å; G598-D600 CarbonylContact C-O 3.32Å; G598-D600 PolarHBondContact O-N 3.45Å; D600-N602 PolarHBondContact O-N 2.67Å; D600-N602 VanDerWaalsContact O-N 3.07Å; D600-N602 WeakPolarHBondContact OD1-CB 3.4Å; D600-N602 PolarHBondContact OD1-N 2.87Å; D600-N602 PolarHBondContact OD1-ND2 3.15Å; D600-R603 HydrophobicContact CB-CB 4.04Å; D600-R603 WeakPolarHBondContact O-CB 3.41Å; D600-R603 PolarHBondContact O-N 2.91Å
601	P	87.6	Confident	88.4	Confident	38 Å²	38	37.7 Å²	37.7	25%	0.247	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.9	-179.6	-24.9	34.3	0	0	0	114.2	D231 A545 T599	D231-P601 HydrophobicContact CB-CG 4.44Å; A545-P601 HydrophobicContact CB-CB 3.72Å; A545-P601 HydrophobicContact CB-CG 3.77Å; T599-P601 WeakPolarHBondContact O-CD 3.33Å
602	N	87.3	Confident	88.4	Confident	150 Å²	150	35.3 Å²	35.3	80%	0.802	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-11.2	179.7	-58.1	-62.6	0	0	0	113.2	D600 H604	D600-N602 PolarHBondContact O-N 2.67Å; D600-N602 VanDerWaalsContact O-N 3.07Å; D600-N602 WeakPolarHBondContact OD1-CB 3.4Å; D600-N602 PolarHBondContact OD1-N 2.87Å; D600-N602 PolarHBondContact OD1-ND2 3.15Å; N602-H604 PolarHBondContact O-N 3.29Å
603	R	89.1	Confident	88.2	Confident	123 Å²	123	37 Å²	37	46%	0.464	19%	0.188	S	C	.	.			trans	-80.4	113	-179	-177.9	179.9	174.2	-153.9	-1.7	110	G575 K576 D600	G575-R603 PolarHBondContact O-NH1 2.78Å; K576-R603 PolarHBondContact O-NH1 2.88Å; D600-R603 HydrophobicContact CB-CB 4.04Å; D600-R603 WeakPolarHBondContact O-CB 3.41Å; D600-R603 PolarHBondContact O-N 2.91Å
604	H	83.8	Confident	87.8	Confident	138 Å²	138	37 Å²	37	64%	0.639	19%	0.188	S	C	*	.			trans	-66	134	171.2	-172.8	-95.9	0	0	0	111.1	N602 E677	N602-H604 PolarHBondContact O-N 3.29Å; H604-E677 IonicContact CE1-OE1 2.94Å
605	I	84.4	Confident	87.1	Confident	11 Å²	11	37.3 Å²	37.3	6%	0.056	19%	0.19	C	C	.	.			trans	-115.4	123	171.8	-66.4	178.9	0	0	0	108.1	M577 R596 K597 S608	M577-I605 HydrophobicContact CB-CD1 3.97Å; M577-I605 HydrophobicContact CG-CD1 3.54Å; M577-I605 HydrophobicContact SD-CD1 3.49Å; M577-I605 WeakPolarHBondContact SD-CD1 3.38Å; M577-I605 HydrophobicContact SD-CG1 4.17Å; M577-I605 HydrophobicContact SD-CG2 4.16Å; R596-I605 HydrophobicContact CB-CG2 4.34Å; K597-I605 WeakPolarHBondContact O-CD1 3.34Å; I605-S608 PolarHBondContact O-N 2.88Å
606	P	81.3	Confident	86	Confident	78 Å²	78	38.9 Å²	38.9	51%	0.506	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	145.4	173.5	29.4	-34.4	0	0	0	110.5	R596 S608	R596-P606 PolarHBondContact NH2-O 3.22Å; P606-S608 VanDerWaalsContact C-N 3.27Å; P606-S608 PolarHBondContact O-N 2.76Å
607	N	80.4	Confident	84.4	Confident	20 Å²	20	43.5 Å²	43.5	11%	0.107	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	45.9	-175.8	-61.1	-18.7	0	0	0	111.5	R596 F609 M610 L672 C674	R596-N607 PolarHBondContact NE-O 3.15Å; R596-N607 VanDerWaalsContact NH2-CB 3.32Å; R596-N607 PolarHBondContact NH2-O 3.19Å; N607-F609 PolarHBondContact O-N 3.34Å; N607-F609 VanDerWaalsContact O-N 3.13Å; N607-M610 HydrophobicContact CB-CE 4.19Å; N607-M610 HydrophobicContact CB-CG 4.28Å; N607-M610 HydrophobicContact CB-SD 3.9Å; N607-L672 PolarHBondContact ND2-O 2.91Å; N607-C674 PolarHBondContact ND2-O 2.78Å; N607-C674 PolarHBondContact OD1-O 2.89Å
608	S	83.6	Confident	82.7	Confident	27 Å²	27	43.9 Å²	43.9	19%	0.189	22%	0.22	C	C	.	.			trans	-60	-22.1	-179.1	64.7	0	0	0	0	112.8	L595 R596 I605 P606	L595-S608 CarbonylContact C-O 3.59Å; L595-S608 WeakPolarHBondContact CA-O 3.43Å; R596-S608 PolarHBondContact N-O 3.1Å; R596-S608 WeakPolarHBondContact O-CA 3.28Å; R596-S608 VanDerWaalsContact O-CB 3.31Å; R596-S608 WeakPolarHBondContact O-CB 3.39Å; I605-S608 PolarHBondContact O-N 2.88Å; P606-S608 VanDerWaalsContact C-N 3.27Å; P606-S608 PolarHBondContact O-N 2.76Å
609	F	87.1	Confident	80.4	Confident	3 Å²	3	49.8 Å²	49.8	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	127.7	-179	-168	-100.3	0	0	0	111.1	F582 Y593 L594 L595 N607 F678 W680 L686 I693	F582-F609 AromaticContact CE1-CE2 3.92Å; F582-F609 HydrophobicContact CE1-CE2 3.92Å; F582-F609 HydrophobicContact CE1-CZ 4.48Å; F582-F609 AromaticContact CZ-CE2 3.67Å; F582-F609 HydrophobicContact CZ-CE2 3.67Å; F582-F609 AromaticContact CZ-CZ 3.83Å; F582-F609 HydrophobicContact CZ-CZ 3.83Å; Y593-F609 HydrophobicContact CD1-CE1 4.09Å; Y593-F609 AromaticContact CD1-CZ 3.69Å; Y593-F609 HydrophobicContact CD1-CZ 3.69Å; Y593-F609 HydrophobicContact CG-CZ 4.2Å; L594-F609 WeakPolarHBondContact O-CA 3.5Å; L595-F609 HydrophobicContact CB-CD2 3.8Å; L595-F609 HydrophobicContact CB-CE2 4.07Å; L595-F609 HydrophobicContact CD1-CD2 3.82Å; L595-F609 HydrophobicContact CG-CD2 4.41Å; N607-F609 PolarHBondContact O-N 3.34Å; N607-F609 VanDerWaalsContact O-N 3.13Å; F609-F678 HydrophobicContact CB-CD1 3.93Å; F609-F678 AromaticContact CD1-CD1 3.68Å; F609-F678 HydrophobicContact CD1-CD1 3.68Å; F609-F678 HydrophobicContact CD1-CE1 4.02Å; F609-F678 HydrophobicContact CD1-CG 4.28Å; F609-F678 HydrophobicContact CG-CD1 4.12Å; F609-W680 HydrophobicContact CD2-CZ3 4.36Å; F609-L686 HydrophobicContact CD1-CD1 4.24Å; F609-L686 HydrophobicContact CE1-CD1 3.73Å; F609-L686 HydrophobicContact CE1-CD2 3.78Å; F609-L686 HydrophobicContact CE1-CG 4.26Å; F609-L686 HydrophobicContact CE2-CD2 3.72Å; F609-L686 HydrophobicContact CZ-CD1 4.08Å; F609-L686 HydrophobicContact CZ-CD2 3.21Å; F609-L686 HydrophobicContact CZ-CG 4.16Å; F609-I693 HydrophobicContact CD1-CG1 4.21Å; F609-I693 HydrophobicContact CD1-CG2 3.79Å; F609-I693 HydrophobicContact CE1-CB 4.29Å; F609-I693 HydrophobicContact CE1-CD1 3.64Å; F609-I693 HydrophobicContact CE1-CG1 3.76Å; F609-I693 HydrophobicContact CE1-CG2 3.51Å; F609-I693 HydrophobicContact CZ-CD1 4.42Å
610	M	88.1	Confident	78.1	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.8	-179.8	-67	-159.3	-62	0	0	112.2	L594 N607 L672 C674	L594-M610 PolarHBondContact N-O 3.41Å; L594-M610 PolarHBondContact O-N 2.95Å; N607-M610 HydrophobicContact CB-CE 4.19Å; N607-M610 HydrophobicContact CB-CG 4.28Å; N607-M610 HydrophobicContact CB-SD 3.9Å; M610-L672 HydrophobicContact CE-CB 4.03Å; M610-L672 HydrophobicContact CE-CD2 3.12Å; M610-L672 HydrophobicContact CE-CG 4.03Å; M610-C674 HydrophobicContact SD-CB 3.76Å
611	S	89.2	Confident	75.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.4	171.2	63.2	0	0	0	0	111.4	L592 P694 C695 Q696	L592-S611 CarbonylContact O-C 3.52Å; L592-S611 VanDerWaalsContact O-CA 3.3Å; L592-S611 WeakPolarHBondContact O-CA 3.41Å; S611-P694 PolarHBondContact N-O 2.86Å; S611-P694 PolarHBondContact OG-O 2.94Å; S611-C695 CarbonylContact O-C 3.39Å; S611-C695 VanDerWaalsContact O-CA 3.31Å; S611-C695 WeakPolarHBondContact O-CA 3.47Å; S611-C695 WeakPolarHBondContact OG-CA 3.44Å; S611-C695 WeakPolarHBondContact OG-CB 3.43Å; S611-Q696 PolarHBondContact O-N 2.92Å
612	F	87.1	Confident	73.4	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.8	175.1	-54.6	-68.4	0	0	0	109.1	K591 L592 L594 S671 Q696 L698	K591-F612 WeakPolarHBondContact CA-O 3.3Å; L592-F612 HydrophobicContact CB-CB 4.33Å; L592-F612 HydrophobicContact CB-CD2 4.47Å; L592-F612 HydrophobicContact CD2-CD2 4.32Å; L592-F612 HydrophobicContact CG-CD2 4.45Å; L592-F612 PolarHBondContact N-O 3.29Å; L592-F612 PolarHBondContact O-N 2.95Å; L594-F612 HydrophobicContact CB-CE2 3.7Å; L594-F612 HydrophobicContact CB-CZ 4.37Å; L594-F612 HydrophobicContact CD2-CE2 3.97Å; L594-F612 HydrophobicContact CD2-CZ 3.98Å; L594-F612 HydrophobicContact CG-CE2 4.49Å; F612-S671 VanDerWaalsContact CE1-CB 3.42Å; F612-S671 WeakPolarHBondContact CE1-O 3.36Å; F612-Q696 CarbonylContact C-O 3.57Å; F612-Q696 VanDerWaalsContact CA-O 3.31Å; F612-Q696 WeakPolarHBondContact CA-O 3.45Å; F612-Q696 HydrophobicContact CD1-CB 4.24Å; F612-L698 HydrophobicContact CB-CD1 4.47Å
613	D	86.3	Confident	71.4	Confident	36 Å²	36	59.2 Å²	59.2	19%	0.193	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.2	170.1	-173.2	4.1	0	0	0	108.6	S615 R631 Q696 L698	D613-S615 PolarHBondContact O-N 2.97Å; D613-S615 VanDerWaalsContact OD1-CB 3.27Å; D613-S615 WeakPolarHBondContact OD1-CB 3.34Å; D613-S615 PolarHBondContact OD1-N 2.74Å; D613-S615 PolarHBondContact OD1-OG 2.89Å; D613-S615 PolarHBondContact OD2-OG 2.91Å; D613-R631 IonicContact OD2-NH2 3.12Å; D613-Q696 PolarHBondContact N-O 3.12Å; D613-L698 VanDerWaalsContact O-CB 3.22Å; D613-L698 WeakPolarHBondContact O-CB 3.37Å; D613-L698 PolarHBondContact O-N 2.94Å
614	L	83	Confident	69.4	Low	3 Å²	3	60.7 Å²	60.7	2%	0.016	33%	0.325	C	S	.	.			trans	-83	4.8	-179.5	-55.3	171	0	0	0	112	S590 L592 H616 Y634 C636 L651 L698	S590-L614 WeakPolarHBondContact O-CB 3.31Å; S590-L614 WeakPolarHBondContact O-CG 3.44Å; S590-L614 PolarHBondContact O-N 2.82Å; L592-L614 HydrophobicContact CB-CD1 4.42Å; L592-L614 HydrophobicContact CB-CD2 4.17Å; L592-L614 HydrophobicContact CB-CG 4.48Å; L614-H616 PolarHBondContact O-N 2.88Å; L614-Y634 WeakPolarHBondContact CB-O 3.4Å; L614-Y634 WeakPolarHBondContact O-CD2 3.47Å; L614-C636 HydrophobicContact CD1-CB 3.45Å; L614-C636 VanDerWaalsContact CD1-CB 3.45Å; L614-L651 HydrophobicContact CD1-CD2 4.01Å; L614-L651 HydrophobicContact CD2-CD2 4.18Å; L614-L698 HydrophobicContact CD2-CB 4.49Å; L614-L698 HydrophobicContact CD2-CD2 3.52Å
615	S	78	Confident	67.6	Low	8 Å²	8	57.7 Å²	57.7	6%	0.056	33%	0.331	C	S	.	.			trans	-67.9	117.2	172.3	-56	0	0	0	0	110.4	D613 R631 Y632	D613-S615 PolarHBondContact O-N 2.97Å; D613-S615 VanDerWaalsContact OD1-CB 3.27Å; D613-S615 WeakPolarHBondContact OD1-CB 3.34Å; D613-S615 PolarHBondContact OD1-N 2.74Å; D613-S615 PolarHBondContact OD1-OG 2.89Å; D613-S615 PolarHBondContact OD2-OG 2.91Å; S615-R631 PolarHBondContact OG-NH2 3.5Å; S615-R631 VanDerWaalsContact OG-NH2 3.07Å; S615-Y632 CarbonylContact C-O 3.6Å; S615-Y632 WeakPolarHBondContact CA-O 3.39Å
616	H	69.4	Low	65.6	Low	34 Å²	34	62.2 Å²	62.2	16%	0.157	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.7	177.4	-158.5	-84.2	0	0	0	111.3	L614 Y632 Y634	L614-H616 PolarHBondContact O-N 2.88Å; H616-Y632 PolarHBondContact N-O 2.94Å; H616-Y632 PolarHBondContact O-N 2.85Å; H616-Y634 HydrophobicContact CB-CD2 4.47Å; H616-Y634 HydrophobicContact CB-CE2 4.11Å
617	Y	57.8	Low	63.6	Low	124 Å²	124	62.5 Å²	62.5	49%	0.486	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.4	169.2	-63.6	-85	0	0	0	107.7	R631	Y617-R631 HydrophobicContact CD1-CB 4.15Å; Y617-R631 HydrophobicContact CD1-CG 4.33Å; Y617-R631 HydrophobicContact CE1-CB 3.89Å; Y617-R631 HydrophobicContact CE1-CG 3.84Å
618	L	56.6	Low	61.9	Low	65 Å²	65	63.4 Å²	63.4	34%	0.34	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.6	168.9	-74.4	170.2	0	0	0	107.9	S620 S630 Y632	L618-S620 VanDerWaalsContact C-N 3.34Å; L618-S620 PolarHBondContact O-N 3.3Å; L618-S620 VanDerWaalsContact O-N 3.11Å; L618-S630 PolarHBondContact N-O 3.19Å; L618-Y632 HydrophobicContact CB-CD2 4.15Å; L618-Y632 HydrophobicContact CB-CE2 3.95Å; L618-Y632 HydrophobicContact CD1-CD2 3.74Å; L618-Y632 HydrophobicContact CD1-CE2 3.57Å; L618-Y632 HydrophobicContact CD1-CG 4.41Å; L618-Y632 HydrophobicContact CG-CD2 4.07Å; L618-Y632 HydrophobicContact CG-CE2 4.14Å
619	D	44.3	Very low	60.2	Low	127 Å²	127	68.5 Å²	68.5	68%	0.679	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	90.9	164.7	-77.4	-24.4	0	0	0	107.4
620	S	43.6	Very low	58.8	Low	41 Å²	41	70.4 Å²	70.4	29%	0.287	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.6	165.4	49.4	0	0	0	0	108.6	L618 D622 A628	L618-S620 VanDerWaalsContact C-N 3.34Å; L618-S620 PolarHBondContact O-N 3.3Å; L618-S620 VanDerWaalsContact O-N 3.11Å; S620-D622 PolarHBondContact O-N 2.85Å; S620-A628 PolarHBondContact OG-O 2.78Å
621	T	39.6	Very low	57.9	Low	135 Å²	135	76.4 Å²	76.4	83%	0.828	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	100.6	161.9	49.5	0	0	0	0	107.8
622	D	40.7	Very low	57	Low	89 Å²	89	79 Å²	79	48%	0.476	45%	0.445	S	S	.	.			trans	-66.8	144.8	165	-75.9	-27.2	0	0	0	109.3	S620 D624 G625	S620-D622 PolarHBondContact O-N 2.85Å; D622-D624 PolarHBondContact O-N 2.81Å; D622-G625 PolarHBondContact O-N 2.96Å
623	D	46.5	Very low	56.7	Low	177 Å²	177	81.5 Å²	81.5	95%	0.947	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-6.3	-179.4	-127.4	1.7	0	0	0	113.5
624	D	46.4	Very low	56.6	Low	155 Å²	155	80.7 Å²	80.7	83%	0.829	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	9.6	177.4	-87.6	-25.2	0	0	0	114.5	D622 V626	D622-D624 PolarHBondContact O-N 2.81Å; D624-V626 VanDerWaalsContact C-N 3.31Å; D624-V626 PolarHBondContact O-N 2.83Å
625	G	45.2	Very low	56.9	Low	75 Å²	75	82 Å²	82	77%	0.773	47%	0.465	S	S	*	.	S	Bend	trans	71.8	17.9	168.5	0	0	0	0	0	115.8	D622	D622-G625 PolarHBondContact O-N 2.96Å
626	V	43.3	Very low	57.4	Low	105 Å²	105	82.3 Å²	82.3	64%	0.636	47%	0.467	S	S	*	.			trans	-105.7	115.7	168.1	-173.5	0	0	0	0	108.1	D624 A628	D624-V626 VanDerWaalsContact C-N 3.31Å; D624-V626 PolarHBondContact O-N 2.83Å; V626-A628 PolarHBondContact O-N 3.11Å
627	A	40.4	Very low	58.4	Low	84 Å²	84	82.3 Å²	82.3	69%	0.694	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	94.6	174.3	0	0	0	0	0	109.6	Q629	A627-Q629 PolarHBondContact O-N 2.81Å
628	A	43.2	Very low	60	Low	39 Å²	39	76.5 Å²	76.5	32%	0.322	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	104.5	168.6	0	0	0	0	0	108.5	S620 V626 S630	S620-A628 PolarHBondContact OG-O 2.78Å; V626-A628 PolarHBondContact O-N 3.11Å; A628-S630 PolarHBondContact O-N 2.79Å
629	Q	49	Very low	61.7	Low	134 Å²	134	73.4 Å²	73.4	63%	0.626	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	95.9	170	-77.5	180	-17.3	0	0	109	A627 R631	A627-Q629 PolarHBondContact O-N 2.81Å; Q629-R631 PolarHBondContact O-N 3.47Å
630	S	57.8	Low	64	Low	43 Å²	43	69.5 Å²	69.5	30%	0.301	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	113.7	173.2	-66.3	0	0	0	0	108.7	L618 A628 Y632	L618-S630 PolarHBondContact N-O 3.19Å; A628-S630 PolarHBondContact O-N 2.79Å; S630-Y632 VanDerWaalsContact CB-CE2 3.49Å; S630-Y632 VanDerWaalsContact O-CD2 3.23Å; S630-Y632 WeakPolarHBondContact O-CD2 3.32Å; S630-Y632 PolarHBondContact O-N 2.78Å
631	R	67.8	Low	66.4	Low	129 Å²	129	68 Å²	68	49%	0.487	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112.8	174.5	-175.9	179.7	177	172.1	3.1	109.1	D613 S615 Y617 Q629 V633	D613-R631 IonicContact OD2-NH2 3.12Å; S615-R631 PolarHBondContact OG-NH2 3.5Å; S615-R631 VanDerWaalsContact OG-NH2 3.07Å; Y617-R631 HydrophobicContact CD1-CB 4.15Å; Y617-R631 HydrophobicContact CD1-CG 4.33Å; Y617-R631 HydrophobicContact CE1-CB 3.89Å; Y617-R631 HydrophobicContact CE1-CG 3.84Å; Q629-R631 PolarHBondContact O-N 3.47Å; R631-V633 HydrophobicContact CG-CG2 4.4Å
632	Y	72.1	Confident	68.9	Low	53 Å²	53	62.6 Å²	62.6	21%	0.208	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121	174.2	-69.6	-96	0	0	0	109.1	S615 H616 L618 S630 Q657	S615-Y632 CarbonylContact C-O 3.6Å; S615-Y632 WeakPolarHBondContact CA-O 3.39Å; H616-Y632 PolarHBondContact N-O 2.94Å; H616-Y632 PolarHBondContact O-N 2.85Å; L618-Y632 HydrophobicContact CB-CD2 4.15Å; L618-Y632 HydrophobicContact CB-CE2 3.95Å; L618-Y632 HydrophobicContact CD1-CD2 3.74Å; L618-Y632 HydrophobicContact CD1-CE2 3.57Å; L618-Y632 HydrophobicContact CD1-CG 4.41Å; L618-Y632 HydrophobicContact CG-CD2 4.07Å; L618-Y632 HydrophobicContact CG-CE2 4.14Å; S630-Y632 VanDerWaalsContact CB-CE2 3.49Å; S630-Y632 VanDerWaalsContact O-CD2 3.23Å; S630-Y632 WeakPolarHBondContact O-CD2 3.32Å; S630-Y632 PolarHBondContact O-N 2.78Å; Y632-Q657 VanDerWaalsContact CD1-CD 3.49Å; Y632-Q657 VanDerWaalsContact CE1-CD 3.47Å
633	V	79.8	Confident	71.2	Confident	56 Å²	56	60.9 Å²	60.9	34%	0.339	35%	0.348	S	S	.	.			trans	-102.2	118.4	176.4	-177.5	0	0	0	0	108.3	R631 S654	R631-V633 HydrophobicContact CG-CG2 4.4Å; V633-S654 PolarHBondContact O-N 2.95Å
634	Y	84.8	Confident	73.2	Confident	18 Å²	18	54.1 Å²	54.1	7%	0.071	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.1	177.7	-63.3	-72.1	0	0	0	111.2	S590 L614 H616 L651 Q652 L662	S590-Y634 VanDerWaalsContact CA-O 3.32Å; S590-Y634 WeakPolarHBondContact CA-O 3.4Å; S590-Y634 WeakPolarHBondContact CB-O 3.36Å; L614-Y634 WeakPolarHBondContact CB-O 3.4Å; L614-Y634 WeakPolarHBondContact O-CD2 3.47Å; H616-Y634 HydrophobicContact CB-CD2 4.47Å; H616-Y634 HydrophobicContact CB-CE2 4.11Å; Y634-L651 HydrophobicContact CD1-CB 4.38Å; Y634-L651 HydrophobicContact CG-CB 4.39Å; Y634-L651 HydrophobicContact CG-CD1 4.42Å; Y634-Q652 CarbonylContact C-O 3.46Å; Y634-Q652 VanDerWaalsContact CA-O 3.27Å; Y634-Q652 WeakPolarHBondContact CA-O 3.24Å; Y634-L662 HydrophobicContact CD1-CD1 3.82Å; Y634-L662 HydrophobicContact CE1-CD1 3.19Å; Y634-L662 HydrophobicContact CE1-CG 4.43Å; Y634-L662 HydrophobicContact CE2-CD1 4.15Å
635	S	88.1	Confident	75.2	Confident	32 Å²	32	52 Å²	52	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	165.2	60.1	0	0	0	0	110.4	P589 L651 Q652	P589-S635 VanDerWaalsContact O-CA 3.24Å; P589-S635 WeakPolarHBondContact O-CA 3.42Å; P589-S635 VanDerWaalsContact O-CB 3.26Å; P589-S635 WeakPolarHBondContact O-CB 2.97Å; S635-L651 CarbonylContact O-C 3.52Å; S635-L651 WeakPolarHBondContact O-CA 3.31Å; S635-Q652 PolarHBondContact N-O 2.75Å; S635-Q652 PolarHBondContact O-N 3.19Å; S635-Q652 PolarHBondContact OG-O 3Å
636	C	89.6	Confident	77.4	Confident	14 Å²	14	49.9 Å²	49.9	10%	0.095	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.1	175.3	176.1	0	0	0	0	110.7	C583 L592 L614 D638 L651	C583-C636 VanDerWaalsContact SG-SG 3.67Å; L592-C636 HydrophobicContact CD1-CB 4.42Å; L614-C636 HydrophobicContact CD1-CB 3.45Å; L614-C636 VanDerWaalsContact CD1-CB 3.45Å; C636-D638 PolarHBondContact SG-O 2.9Å; C636-L651 HydrophobicContact CB-CD2 3.95Å
637	L	89	Confident	79.7	Confident	34 Å²	34	44.9 Å²	44.9	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-43.2	177.6	-62.2	179.8	0	0	0	112.2	V650 Q652 R661 A712	L637-V650 HydrophobicContact CB-CG1 4.37Å; L637-V650 HydrophobicContact CD1-CG1 4.35Å; L637-V650 PolarHBondContact N-O 2.91Å; L637-Q652 HydrophobicContact CD1-CB 3.88Å; L637-Q652 HydrophobicContact CD2-CB 4.25Å; L637-Q652 HydrophobicContact CG-CB 4.02Å; L637-R661 VanDerWaalsContact CD1-NE 3.27Å; L637-A712 WeakPolarHBondContact CD1-O 3.2Å
638	D	91.6	Very high	82.3	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	154	177.3	-169.6	15.9	0	0	0	109.9	C636 R640 V650 Q713 F714 V715	C636-D638 PolarHBondContact SG-O 2.9Å; D638-R640 IonicContact OD1-CZ 2.72Å; D638-R640 IonicContact OD1-NE 3.85Å; D638-R640 PolarHBondContact OD1-NE 3.07Å; D638-R640 IonicContact OD1-NH2 3.85Å; D638-R640 IonicContact OD2-NE 3.84Å; D638-V650 PolarHBondContact O-N 2.79Å; D638-Q713 WeakPolarHBondContact CB-O 3.12Å; D638-F714 HydrophobicContact CB-CD1 4.37Å; D638-F714 WeakPolarHBondContact OD2-CA 3.47Å; D638-V715 PolarHBondContact OD2-N 2.83Å
639	A	92.3	Very high	84.6	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	126.8	-179.1	0	0	0	0	0	110.7	L566 V581 L592 L647 T648 V649	L566-A639 HydrophobicContact CD2-CB 4.21Å; L566-A639 WeakPolarHBondContact CD2-O 3.39Å; V581-A639 HydrophobicContact CG1-CB 3.63Å; L592-A639 HydrophobicContact CD1-CB 4.11Å; A639-L647 HydrophobicContact CB-CD1 4.47Å; A639-L647 HydrophobicContact CB-CD2 4.29Å; A639-T648 WeakPolarHBondContact CA-O 3.28Å; A639-V649 HydrophobicContact CB-CG1 3.94Å
640	R	93.4	Very high	86.7	Confident	46 Å²	46	32.7 Å²	32.7	17%	0.174	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.3	-179.3	-60.9	-63.1	172.6	171.2	-1.2	111.2	F564 E565 S568 D638 Y642 L647 T648 V715 V717	F564-R640 VanDerWaalsContact C-NH2 3.32Å; F564-R640 PolarHBondContact O-NH2 2.75Å; E565-R640 PolarHBondContact O-NH2 2.92Å; S568-R640 VanDerWaalsContact CB-NH1 3.35Å; S568-R640 WeakPolarHBondContact OG-CD 3.27Å; S568-R640 PolarHBondContact OG-NH1 2.75Å; D638-R640 IonicContact OD1-CZ 2.72Å; D638-R640 IonicContact OD1-NE 3.85Å; D638-R640 PolarHBondContact OD1-NE 3.07Å; D638-R640 IonicContact OD1-NH2 3.85Å; D638-R640 IonicContact OD2-NE 3.84Å; R640-Y642 PolarHBondContact O-N 3.1Å; R640-L647 VanDerWaalsContact C-CD1 3.48Å; R640-L647 WeakPolarHBondContact O-CD1 3.41Å; R640-T648 PolarHBondContact N-O 3.49Å; R640-T648 PolarHBondContact O-N 2.84Å; R640-V715 HydrophobicContact CB-CG1 4.26Å; R640-V715 HydrophobicContact CG-CG1 3.94Å; R640-V715 WeakPolarHBondContact CG-O 3.3Å; R640-V717 HydrophobicContact CB-CG2 3.86Å
641	F	93.1	Very high	88.2	Confident	10 Å²	10	30.6 Å²	30.6	4%	0.044	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.2	175.3	-70.6	-93.3	0	0	0	109.4	W570 C579 V581 L594 L647 L668 V717	W570-F641 HydrophobicContact CB-CB 4Å; W570-F641 HydrophobicContact CB-CD1 3.96Å; W570-F641 HydrophobicContact CB-CD2 3.29Å; W570-F641 HydrophobicContact CB-CE1 4.24Å; W570-F641 HydrophobicContact CB-CE2 3.6Å; W570-F641 HydrophobicContact CB-CG 3.47Å; W570-F641 VanDerWaalsContact CB-CG 3.47Å; W570-F641 HydrophobicContact CB-CZ 4.07Å; W570-F641 AromaticContact CD1-CD1 3.89Å; W570-F641 HydrophobicContact CD2-CB 3.62Å; W570-F641 HydrophobicContact CD2-CG 4.05Å; W570-F641 HydrophobicContact CE3-CB 3.77Å; W570-F641 HydrophobicContact CG-CB 3.74Å; W570-F641 AromaticContact CG-CD1 3.87Å; W570-F641 HydrophobicContact CG-CD1 3.87Å; W570-F641 AromaticContact CG-CD2 3.96Å; W570-F641 HydrophobicContact CG-CD2 3.96Å; W570-F641 HydrophobicContact CG-CE1 4.46Å; W570-F641 AromaticContact CG-CG 3.58Å; W570-F641 HydrophobicContact CG-CG 3.58Å; W570-F641 HydrophobicContact CZ3-CB 4.46Å; C579-F641 HydrophobicContact CB-CE1 3.74Å; C579-F641 HydrophobicContact CB-CE2 4.27Å; C579-F641 HydrophobicContact CB-CZ 3.41Å; C579-F641 VanDerWaalsContact CB-CZ 3.41Å; V581-F641 HydrophobicContact CB-CE2 4.13Å; V581-F641 HydrophobicContact CB-CZ 4.43Å; V581-F641 HydrophobicContact CG2-CE1 4.37Å; V581-F641 HydrophobicContact CG2-CE2 3.62Å; V581-F641 HydrophobicContact CG2-CZ 3.46Å; V581-F641 VanDerWaalsContact CG2-CZ 3.46Å; L594-F641 HydrophobicContact CD1-CZ 4.07Å; F641-L647 HydrophobicContact CD1-CD1 4.3Å; F641-L647 HydrophobicContact CD2-CD1 4.26Å; F641-L647 HydrophobicContact CE1-CD1 4.5Å; F641-L647 HydrophobicContact CE2-CD1 4.48Å; F641-L647 HydrophobicContact CG-CD1 4.19Å; F641-L668 HydrophobicContact CD1-CD1 4.27Å; F641-L668 HydrophobicContact CE1-CD1 3.96Å; F641-V717 WeakPolarHBondContact O-CG2 3.04Å
642	Y	92.3	Very high	89.2	Confident	21 Å²	21	26.8 Å²	26.8	8%	0.082	13%	0.132	C	C	.	.	S	Bend	trans	-81.1	-46.1	175	178.2	-98.4	0	0	0	109.6	R640 M646 V717 G719 K722 M739	R640-Y642 PolarHBondContact O-N 3.1Å; Y642-M646 WeakPolarHBondContact CB-O 3.32Å; Y642-M646 HydrophobicContact CD1-CB 4.14Å; Y642-M646 PolarHBondContact N-O 2.86Å; Y642-V717 HydrophobicContact CD2-CB 4.14Å; Y642-G719 WeakPolarHBondContact O-CA 3.48Å; Y642-G719 PolarHBondContact O-N 2.85Å; Y642-K722 WeakPolarHBondContact OH-CA 3Å; Y642-K722 WeakPolarHBondContact OH-CB 3.49Å; Y642-K722 WeakPolarHBondContact OH-CG 3.4Å; Y642-M739 HydrophobicContact CE2-CB 4.09Å; Y642-M739 HydrophobicContact CE2-CG 4.05Å
643	D	90.2	Very high	89.8	Confident	53 Å²	53	24.3 Å²	24.3	28%	0.283	12%	0.124	S	C	.	.	S	Bend	trans	-150.5	-166.4	170.5	58.9	38.9	0	0	0	110.1	E645 M646	D643-E645 PolarHBondContact O-N 2.89Å; D643-E645 WeakPolarHBondContact OD1-CA 3.49Å; D643-E645 PolarHBondContact OD1-N 3Å; D643-M646 PolarHBondContact N-O 2.67Å; D643-M646 WeakPolarHBondContact OD1-CB 3.33Å; D643-M646 PolarHBondContact OD1-N 3.39Å
644	D	88.5	Confident	89.5	Confident	35 Å²	35	23.9 Å²	23.9	19%	0.187	12%	0.123	C	C	.	.	S	Bend	trans	-66.6	-17.6	-179.2	-60.6	-34.2	0	0	0	113.5	W570 K574	W570-D644 PolarHBondContact NE1-OD1 2.55Å; K574-D644 WeakPolarHBondContact CD-OD2 3.46Å
645	E	88.2	Confident	88.3	Confident	110 Å²	110	31.8 Å²	31.8	51%	0.514	16%	0.16	S	C	.	.	S	Bend	trans	-116.8	-20.2	-172	-65.1	178.1	-159.2	0	0	113.1	D643 L668	D643-E645 PolarHBondContact O-N 2.89Å; D643-E645 WeakPolarHBondContact OD1-CA 3.49Å; D643-E645 PolarHBondContact OD1-N 3Å; E645-L668 WeakPolarHBondContact O-CB 3.39Å; E645-L668 PolarHBondContact O-N 3.08Å
646	M	90.7	Very high	86.9	Confident	30 Å²	30	38 Å²	38	15%	0.148	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.9	-170.4	-58.8	-66.5	-80.1	0	0	112	Y642 D643 Q665 V666 S667	Y642-M646 WeakPolarHBondContact CB-O 3.32Å; Y642-M646 HydrophobicContact CD1-CB 4.14Å; Y642-M646 PolarHBondContact N-O 2.86Å; D643-M646 PolarHBondContact N-O 2.67Å; D643-M646 WeakPolarHBondContact OD1-CB 3.33Å; D643-M646 PolarHBondContact OD1-N 3.39Å; M646-Q665 HydrophobicContact CE-CB 4.01Å; M646-V666 WeakPolarHBondContact CA-O 3.49Å; M646-S667 VanDerWaalsContact SD-CA 3.55Å
647	L	92.3	Very high	85.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.8	175.4	-175.2	76.4	0	0	0	109.9	V581 L592 A639 R640 F641 V649 Q665 V666 L668	V581-L647 HydrophobicContact CG1-CD2 4.24Å; V581-L647 HydrophobicContact CG2-CD1 4.03Å; V581-L647 HydrophobicContact CG2-CD2 4.26Å; L592-L647 HydrophobicContact CD2-CD2 3.65Å; A639-L647 HydrophobicContact CB-CD1 4.47Å; A639-L647 HydrophobicContact CB-CD2 4.29Å; R640-L647 VanDerWaalsContact C-CD1 3.48Å; R640-L647 WeakPolarHBondContact O-CD1 3.41Å; F641-L647 HydrophobicContact CD1-CD1 4.3Å; F641-L647 HydrophobicContact CD2-CD1 4.26Å; F641-L647 HydrophobicContact CE1-CD1 4.5Å; F641-L647 HydrophobicContact CE2-CD1 4.48Å; F641-L647 HydrophobicContact CG-CD1 4.19Å; L647-V649 HydrophobicContact CD2-CG1 3.65Å; L647-V649 HydrophobicContact CG-CG1 3.92Å; L647-Q665 CarbonylContact O-C 3.59Å; L647-Q665 WeakPolarHBondContact O-CA 3.43Å; L647-V666 HydrophobicContact CB-CB 4.32Å; L647-V666 PolarHBondContact N-O 2.84Å; L647-V666 PolarHBondContact O-N 3.25Å; L647-L668 HydrophobicContact CB-CD2 4.33Å
648	T	93.8	Very high	83.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.2	171.1	-60.9	0	0	0	0	109.4	A639 R640 L663 A664 V715 V717	A639-T648 WeakPolarHBondContact CA-O 3.28Å; R640-T648 PolarHBondContact N-O 3.49Å; R640-T648 PolarHBondContact O-N 2.84Å; T648-L663 HydrophobicContact CG2-CD1 3.51Å; T648-L663 HydrophobicContact CG2-CG 4.4Å; T648-A664 CarbonylContact C-O 3.56Å; T648-A664 WeakPolarHBondContact CA-O 3.41Å; T648-V715 HydrophobicContact CG2-CG1 4.47Å; T648-V715 HydrophobicContact CG2-CG2 4.09Å; T648-V717 HydrophobicContact CG2-CG1 3.9Å
649	V	92.8	Very high	82.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.3	-177.2	-61.3	0	0	0	0	111.4	L592 A639 L647 L651 A664 V666	L592-V649 HydrophobicContact CD2-CG1 4.08Å; A639-V649 HydrophobicContact CB-CG1 3.94Å; L647-V649 HydrophobicContact CD2-CG1 3.65Å; L647-V649 HydrophobicContact CG-CG1 3.92Å; V649-L651 HydrophobicContact CB-CD2 4.28Å; V649-L651 HydrophobicContact CG2-CD1 4.25Å; V649-L651 HydrophobicContact CG2-CD2 4.11Å; V649-L651 HydrophobicContact CG2-CG 4.02Å; V649-A664 HydrophobicContact CG2-CB 3.97Å; V649-A664 PolarHBondContact N-O 3.49Å; V649-A664 PolarHBondContact O-N 3.29Å; V649-V666 HydrophobicContact CG1-CG2 4.35Å; V649-V666 HydrophobicContact CG2-CG2 3.89Å
650	V	92.3	Very high	81.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.1	169.2	-177.2	0	0	0	0	108.2	L637 D638 L662 L663 A712 V715	L637-V650 HydrophobicContact CB-CG1 4.37Å; L637-V650 HydrophobicContact CD1-CG1 4.35Å; L637-V650 PolarHBondContact N-O 2.91Å; D638-V650 PolarHBondContact O-N 2.79Å; V650-L662 WeakPolarHBondContact CA-O 3.39Å; V650-L663 HydrophobicContact CG2-CD1 4.23Å; V650-A712 HydrophobicContact CG1-CB 4.08Å; V650-V715 HydrophobicContact CG2-CB 3.75Å; V650-V715 HydrophobicContact CG2-CG1 3.95Å
651	L	90.3	Very high	81.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.4	-175.4	-55.9	179.1	0	0	0	111.2	L614 Y634 S635 C636 V649 R661 L662 L700	L614-L651 HydrophobicContact CD1-CD2 4.01Å; L614-L651 HydrophobicContact CD2-CD2 4.18Å; Y634-L651 HydrophobicContact CD1-CB 4.38Å; Y634-L651 HydrophobicContact CG-CB 4.39Å; Y634-L651 HydrophobicContact CG-CD1 4.42Å; S635-L651 CarbonylContact O-C 3.52Å; S635-L651 WeakPolarHBondContact O-CA 3.31Å; C636-L651 HydrophobicContact CB-CD2 3.95Å; V649-L651 HydrophobicContact CB-CD2 4.28Å; V649-L651 HydrophobicContact CG2-CD1 4.25Å; V649-L651 HydrophobicContact CG2-CD2 4.11Å; V649-L651 HydrophobicContact CG2-CG 4.02Å; L651-R661 WeakPolarHBondContact O-CA 3.4Å; L651-L662 HydrophobicContact CB-CB 4.25Å; L651-L662 PolarHBondContact N-O 2.62Å; L651-L662 PolarHBondContact O-N 3.22Å; L651-L700 HydrophobicContact CD1-CD1 4.31Å
652	Q	88.9	Confident	81.6	Confident	48 Å²	48	52.3 Å²	52.3	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.9	172.8	161.3	165.4	17.3	0	0	110	Y634 S635 L637 S659 R660 R661	Y634-Q652 CarbonylContact C-O 3.46Å; Y634-Q652 VanDerWaalsContact CA-O 3.27Å; Y634-Q652 WeakPolarHBondContact CA-O 3.24Å; S635-Q652 PolarHBondContact N-O 2.75Å; S635-Q652 PolarHBondContact O-N 3.19Å; S635-Q652 PolarHBondContact OG-O 3Å; L637-Q652 HydrophobicContact CD1-CB 3.88Å; L637-Q652 HydrophobicContact CD2-CB 4.25Å; L637-Q652 HydrophobicContact CG-CB 4.02Å; Q652-S659 PolarHBondContact NE2-OG 3.13Å; Q652-R660 WeakPolarHBondContact CA-O 3.38Å; Q652-R661 VanDerWaalsContact CD-CZ 3.41Å; Q652-R661 VanDerWaalsContact CD-NH2 3.25Å
653	G	82.9	Confident	81.6	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	156.5	170.8	0	0	0	0	0	112.7	R660	G653-R660 PolarHBondContact N-O 3.31Å
654	S	74.1	Confident	81.6	Confident	46 Å²	46	48.9 Å²	48.9	32%	0.322	25%	0.246	S	C	.	.			trans	-60.5	156.6	176.4	58.4	0	0	0	0	113.3	V633 D656 Q657	V633-S654 PolarHBondContact O-N 2.95Å; S654-D656 PolarHBondContact O-N 3.23Å; S654-D656 VanDerWaalsContact O-N 3.12Å; S654-Q657 PolarHBondContact O-N 2.89Å
655	E	60	Low	81.8	Confident	184 Å²	184	47.6 Å²	47.6	86%	0.86	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-55.9	-31.5	-173.1	-66.1	-167.6	153	0	0	114.4	Q657	E655-Q657 PolarHBondContact O-N 3.19Å; E655-Q657 VanDerWaalsContact O-N 3.08Å
656	D	58.3	Low	81.8	Confident	162 Å²	162	42.5 Å²	42.5	87%	0.866	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-65.2	-10	177.9	-66	-33.9	0	0	0	114.3	S654	S654-D656 PolarHBondContact O-N 3.23Å; S654-D656 VanDerWaalsContact O-N 3.12Å
657	Q	55.5	Low	81.6	Confident	50 Å²	50	43 Å²	43	23%	0.234	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-123.8	44	-173.3	-61.1	-178.6	-4.6	0	0	113.3	Y632 S654 E655 S659 R660	Y632-Q657 VanDerWaalsContact CD1-CD 3.49Å; Y632-Q657 VanDerWaalsContact CE1-CD 3.47Å; S654-Q657 PolarHBondContact O-N 2.89Å; E655-Q657 PolarHBondContact O-N 3.19Å; E655-Q657 VanDerWaalsContact O-N 3.08Å; Q657-S659 PolarHBondContact O-N 2.74Å; Q657-R660 WeakPolarHBondContact O-CG 3.33Å
658	N	55.5	Low	81	Confident	161 Å²	161	43.4 Å²	43.4	86%	0.861	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	19.3	174.7	-94.8	-4.3	0	0	0	115.7	R660	N658-R660 VanDerWaalsContact C-N 3.29Å; N658-R660 PolarHBondContact O-N 2.98Å
659	S	65.3	Low	80.1	Confident	50 Å²	50	46.7 Å²	46.7	35%	0.35	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	43.1	179.2	177.8	0	0	0	0	113.3	Q652 Q657 R661	Q652-S659 PolarHBondContact NE2-OG 3.13Å; Q657-S659 PolarHBondContact O-N 2.74Å; S659-R661 PolarHBondContact O-NH1 2.86Å; S659-R661 PolarHBondContact OG-NH1 2.79Å
660	R	81.2	Confident	78.7	Confident	116 Å²	116	50.1 Å²	50.1	44%	0.438	28%	0.275	S	S	.	.			trans	-53.3	142.2	175.9	-66.9	177	-174.5	-146.6	8.3	111.4	Q652 G653 Q657 N658 E706	Q652-R660 WeakPolarHBondContact CA-O 3.38Å; G653-R660 PolarHBondContact N-O 3.31Å; Q657-R660 WeakPolarHBondContact O-CG 3.33Å; N658-R660 VanDerWaalsContact C-N 3.29Å; N658-R660 PolarHBondContact O-N 2.98Å; R660-E706 WeakPolarHBondContact CD-OE1 3.2Å; R660-E706 VanDerWaalsContact CG-OE1 3.24Å; R660-E706 WeakPolarHBondContact CG-OE1 3.32Å; R660-E706 IonicContact CZ-OE1 2.72Å; R660-E706 IonicContact CZ-OE2 2.86Å; R660-E706 IonicContact NE-OE1 3.82Å; R660-E706 IonicContact NH1-OE1 2.74Å; R660-E706 IonicContact NH1-OE2 3.55Å; R660-E706 PolarHBondContact NH1-OE2 2.91Å
661	R	89.8	Confident	77.4	Confident	23 Å²	23	50.5 Å²	50.5	9%	0.087	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.8	175.7	-70	-66.7	-168.4	-95.7	15	108.9	L637 L651 Q652 S659 L707 M710 A712	L637-R661 VanDerWaalsContact CD1-NE 3.27Å; L651-R661 WeakPolarHBondContact O-CA 3.4Å; Q652-R661 VanDerWaalsContact CD-CZ 3.41Å; Q652-R661 VanDerWaalsContact CD-NH2 3.25Å; S659-R661 PolarHBondContact O-NH1 2.86Å; S659-R661 PolarHBondContact OG-NH1 2.79Å; R661-L707 HydrophobicContact CB-CB 4.14Å; R661-L707 PolarHBondContact O-N 3.42Å; R661-M710 WeakPolarHBondContact CG-O 3.22Å; R661-A712 HydrophobicContact CB-CB 4.11Å; R661-A712 VanDerWaalsContact CD-O 3.28Å; R661-A712 WeakPolarHBondContact CD-O 3.49Å; R661-A712 HydrophobicContact CG-CB 4.25Å; R661-A712 PolarHBondContact NE-O 3.13Å
662	L	90.1	Very high	76.3	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.7	-180	-63.5	159.4	0	0	0	109.6	Y634 V650 L651 W704 R705 E706	Y634-L662 HydrophobicContact CD1-CD1 3.82Å; Y634-L662 HydrophobicContact CE1-CD1 3.19Å; Y634-L662 HydrophobicContact CE1-CG 4.43Å; Y634-L662 HydrophobicContact CE2-CD1 4.15Å; V650-L662 WeakPolarHBondContact CA-O 3.39Å; L651-L662 HydrophobicContact CB-CB 4.25Å; L651-L662 PolarHBondContact N-O 2.62Å; L651-L662 PolarHBondContact O-N 3.22Å; L662-W704 HydrophobicContact CD2-CE3 3.65Å; L662-W704 HydrophobicContact CD2-CZ3 3.77Å; L662-R705 WeakPolarHBondContact CA-O 3.34Å; L662-E706 HydrophobicContact CD2-CB 3.92Å; L662-E706 HydrophobicContact CD2-CG 4.19Å
663	L	92.9	Very high	75	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.9	164.1	-178	66.5	0	0	0	107.6	F4 T648 V650 W704 R705 L707 V715 V726 F737 M739	F4-L663 HydrophobicContact CD2-CD2 4.01Å; F4-L663 HydrophobicContact CD2-CG 4.37Å; F4-L663 HydrophobicContact CE2-CD2 4.32Å; F4-L663 HydrophobicContact CE2-CG 4.21Å; T648-L663 HydrophobicContact CG2-CD1 3.51Å; T648-L663 HydrophobicContact CG2-CG 4.4Å; V650-L663 HydrophobicContact CG2-CD1 4.23Å; L663-W704 CarbonylContact O-C 3.58Å; L663-W704 VanDerWaalsContact O-CA 3.25Å; L663-W704 WeakPolarHBondContact O-CA 3.28Å; L663-R705 PolarHBondContact N-O 2.88Å; L663-R705 PolarHBondContact O-N 2.97Å; L663-L707 HydrophobicContact CB-CD1 4.18Å; L663-L707 HydrophobicContact CB-CD2 4.28Å; L663-L707 HydrophobicContact CB-CG 4.26Å; L663-V715 HydrophobicContact CD1-CG2 4.15Å; L663-V726 HydrophobicContact CD1-CG2 4.19Å; L663-V726 HydrophobicContact CD2-CG2 4.07Å; L663-F737 HydrophobicContact CD2-CD2 4.03Å; L663-F737 HydrophobicContact CD2-CE2 4.37Å; L663-F737 HydrophobicContact CD2-CG 4.44Å; L663-M739 HydrophobicContact CD2-CE 4.31Å; L663-M739 HydrophobicContact CD2-SD 4.29Å
664	A	91.3	Very high	74.2	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.6	180	0	0	0	0	0	112.4	T648 V649 L700 W704	T648-A664 CarbonylContact C-O 3.56Å; T648-A664 WeakPolarHBondContact CA-O 3.41Å; V649-A664 HydrophobicContact CG2-CB 3.97Å; V649-A664 PolarHBondContact N-O 3.49Å; V649-A664 PolarHBondContact O-N 3.29Å; A664-L700 HydrophobicContact CB-CD2 3.75Å; A664-W704 HydrophobicContact CB-CB 3.7Å
665	Q	90.8	Very high	73.6	Confident	9 Å²	9	61.6 Å²	61.6	4%	0.042	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.6	168	-75	-175	-35.2	0	0	110.3	F4 M646 L647 Q703 M739	F4-Q665 HydrophobicContact CE1-CG 4.18Å; F4-Q665 HydrophobicContact CZ-CB 4.35Å; F4-Q665 HydrophobicContact CZ-CG 3.88Å; M646-Q665 HydrophobicContact CE-CB 4.01Å; L647-Q665 CarbonylContact O-C 3.59Å; L647-Q665 WeakPolarHBondContact O-CA 3.43Å; Q665-Q703 HydrophobicContact CB-CB 4.05Å; Q665-Q703 PolarHBondContact N-O 3.03Å; Q665-M739 HydrophobicContact CG-CE 3.77Å
666	V	88.3	Confident	74.1	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.4	-177.6	170.2	0	0	0	0	108.7	M646 L647 V649 L668 L698 L700	M646-V666 WeakPolarHBondContact CA-O 3.49Å; L647-V666 HydrophobicContact CB-CB 4.32Å; L647-V666 PolarHBondContact N-O 2.84Å; L647-V666 PolarHBondContact O-N 3.25Å; V649-V666 HydrophobicContact CG1-CG2 4.35Å; V649-V666 HydrophobicContact CG2-CG2 3.89Å; V666-L668 PolarHBondContact O-N 2.79Å; V666-L698 HydrophobicContact CB-CD1 4.2Å; V666-L698 HydrophobicContact CG1-CD1 3.38Å; V666-L698 HydrophobicContact CG2-CD1 3.76Å; V666-L698 HydrophobicContact CG2-CD2 3.8Å; V666-L698 HydrophobicContact CG2-CG 4.23Å; V666-L700 HydrophobicContact CG2-CD2 4.24Å
667	S	86.9	Confident	74.9	Confident	40 Å²	40	53 Å²	53	28%	0.28	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.2	170.3	-175.1	0	0	0	0	110.6	M646 S670 S671	M646-S667 VanDerWaalsContact SD-CA 3.55Å; S667-S670 WeakPolarHBondContact CB-OG 3.47Å; S667-S670 PolarHBondContact O-OG 2.89Å; S667-S671 PolarHBondContact O-OG 3.28Å
668	L	81.2	Confident	76.2	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.058	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-42.1	173.9	-63.5	174.1	0	0	0	109.7	L594 F641 E645 L647 V666 S670 S671 L672	L594-L668 HydrophobicContact CD2-CD2 4.08Å; F641-L668 HydrophobicContact CD1-CD1 4.27Å; F641-L668 HydrophobicContact CE1-CD1 3.96Å; E645-L668 WeakPolarHBondContact O-CB 3.39Å; E645-L668 PolarHBondContact O-N 3.08Å; L647-L668 HydrophobicContact CB-CD2 4.33Å; V666-L668 PolarHBondContact O-N 2.79Å; L668-S670 VanDerWaalsContact C-N 3.34Å; L668-S670 PolarHBondContact O-N 3.5Å; L668-S671 PolarHBondContact O-N 3Å; L668-L672 HydrophobicContact CB-CD1 4.11Å; L668-L672 VanDerWaalsContact O-CD1 3.27Å; L668-L672 WeakPolarHBondContact O-CD1 3.46Å; L668-L672 WeakPolarHBondContact O-CG 3.38Å; L668-L672 PolarHBondContact O-N 2.87Å
669	A	73.3	Confident	77.3	Confident	69 Å²	69	50.1 Å²	50.1	57%	0.57	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-57.3	-41.8	-175.2	0	0	0	0	0	113.8	S671	A669-S671 VanDerWaalsContact C-N 3.27Å; A669-S671 PolarHBondContact O-N 3.44Å
670	S	64.9	Low	78.1	Confident	72 Å²	72	49.9 Å²	49.9	50%	0.503	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-70.9	-23.1	177.9	55.7	0	0	0	0	113.6	S667 L668 S673	S667-S670 WeakPolarHBondContact CB-OG 3.47Å; S667-S670 PolarHBondContact O-OG 2.89Å; L668-S670 VanDerWaalsContact C-N 3.34Å; L668-S670 PolarHBondContact O-N 3.5Å; S670-S673 PolarHBondContact O-OG 3.01Å
671	S	63.9	Low	78.1	Confident	7 Å²	7	50.2 Å²	50.2	5%	0.049	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-101.2	3.7	-171.3	-44.2	0	0	0	0	112.6	F612 S667 L668 A669 Q696	F612-S671 VanDerWaalsContact CE1-CB 3.42Å; F612-S671 WeakPolarHBondContact CE1-O 3.36Å; S667-S671 PolarHBondContact O-OG 3.28Å; L668-S671 PolarHBondContact O-N 3Å; A669-S671 VanDerWaalsContact C-N 3.27Å; A669-S671 PolarHBondContact O-N 3.44Å; S671-Q696 PolarHBondContact O-OE1 2.83Å
672	L	67	Low	77.5	Confident	35 Å²	35	55.1 Å²	55.1	18%	0.183	32%	0.323	C	S	.	.			trans	-104.6	1.1	-177.2	-64	160.3	0	0	0	114.2	L594 N607 M610 L668 C674	L594-L672 HydrophobicContact CD2-CD2 3.82Å; N607-L672 PolarHBondContact ND2-O 2.91Å; M610-L672 HydrophobicContact CE-CB 4.03Å; M610-L672 HydrophobicContact CE-CD2 3.12Å; M610-L672 HydrophobicContact CE-CG 4.03Å; L668-L672 HydrophobicContact CB-CD1 4.11Å; L668-L672 VanDerWaalsContact O-CD1 3.27Å; L668-L672 WeakPolarHBondContact O-CD1 3.46Å; L668-L672 WeakPolarHBondContact O-CG 3.38Å; L668-L672 PolarHBondContact O-N 2.87Å; L672-C674 VanDerWaalsContact C-N 3.32Å; L672-C674 PolarHBondContact O-N 2.85Å
673	S	62.9	Low	76.7	Confident	93 Å²	93	58.6 Å²	58.6	65%	0.65	36%	0.36	S	S	*	.			trans	-80	71.5	-179.7	50.6	0	0	0	0	111.4	S670 Q696	S670-S673 PolarHBondContact O-OG 3.01Å; S673-Q696 PolarHBondContact O-NE2 2.88Å
674	C	64.7	Low	76.4	Confident	26 Å²	26	60.5 Å²	60.5	18%	0.176	37%	0.372	C	S	.	.			trans	-116.5	133.1	174.4	-154.3	0	0	0	0	110.5	N607 M610 L672 S676	N607-C674 PolarHBondContact ND2-O 2.78Å; N607-C674 PolarHBondContact OD1-O 2.89Å; M610-C674 HydrophobicContact SD-CB 3.76Å; L672-C674 VanDerWaalsContact C-N 3.32Å; L672-C674 PolarHBondContact O-N 2.85Å; C674-S676 PolarHBondContact SG-OG 3.29Å
675	D	62.5	Low	76.1	Confident	175 Å²	175	62.5 Å²	62.5	94%	0.936	38%	0.379	S	S	*	.	S	Bend	trans	-84.8	-16.2	176.2	-68.2	-26.9	0	0	0	112.5
676	S	69.2	Low	76	Confident	64 Å²	64	62.1 Å²	62.1	45%	0.448	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-94.6	116.7	-179.6	59.8	0	0	0	0	111.4	C674 P694	C674-S676 PolarHBondContact SG-OG 3.29Å; S676-P694 VanDerWaalsContact O-CG 3.23Å; S676-P694 WeakPolarHBondContact O-CG 3.34Å
677	E	75.6	Confident	75.9	Confident	102 Å²	102	63.1 Å²	63.1	48%	0.477	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-85.2	140.6	174.1	-68	-170.3	148.8	0	0	111.8	H604	H604-E677 IonicContact CE1-OE1 2.94Å
678	F	82.3	Confident	75.8	Confident	17 Å²	17	67.3 Å²	67.3	8%	0.075	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-86.6	120.8	171.6	-178.8	-116.1	0	0	0	110.7	F609 W680 L686 Q689 T692 I693 P694	F609-F678 HydrophobicContact CB-CD1 3.93Å; F609-F678 AromaticContact CD1-CD1 3.68Å; F609-F678 HydrophobicContact CD1-CD1 3.68Å; F609-F678 HydrophobicContact CD1-CE1 4.02Å; F609-F678 HydrophobicContact CD1-CG 4.28Å; F609-F678 HydrophobicContact CG-CD1 4.12Å; F678-W680 HydrophobicContact CD1-CB 4.36Å; F678-W680 HydrophobicContact CD1-CE3 4.38Å; F678-W680 HydrophobicContact CE1-CB 3.84Å; F678-W680 AromaticContact CE1-CD2 4Å; F678-W680 HydrophobicContact CE1-CD2 4Å; F678-W680 AromaticContact CE1-CE3 3.68Å; F678-W680 HydrophobicContact CE1-CE3 3.68Å; F678-W680 HydrophobicContact CE1-CG 4.12Å; F678-L686 HydrophobicContact CE1-CD1 3.94Å; F678-L686 HydrophobicContact CZ-CD1 4.04Å; F678-Q689 HydrophobicContact CZ-CG 4.12Å; F678-T692 WeakPolarHBondContact CE2-OG1 3.27Å; F678-I693 HydrophobicContact CD2-CG1 4.36Å; F678-I693 HydrophobicContact CE2-CG1 4.08Å; F678-I693 HydrophobicContact CZ-CG1 4.26Å; F678-P694 HydrophobicContact CB-CG 4.13Å
679	N	79.8	Confident	76	Confident	134 Å²	134	67.5 Å²	67.5	72%	0.717	40%	0.399	S	S	*	.			trans	-97.7	105.5	172.1	-70.1	-43.4	0	0	0	109.5	E681	N679-E681 PolarHBondContact O-N 2.92Å
680	W	82.1	Confident	76.4	Confident	44 Å²	44	65 Å²	65	17%	0.167	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-70.4	123.7	179.8	-167.3	-59	0	0	0	111.1	L548 P549 L550 F609 F678 P682 V684 L686	L548-W680 HydrophobicContact CB-CH2 4.1Å; L548-W680 HydrophobicContact CB-CZ2 4.08Å; L548-W680 HydrophobicContact CD1-CZ3 4.47Å; L548-W680 HydrophobicContact CD2-CD2 4.26Å; L548-W680 HydrophobicContact CD2-CZ2 4.47Å; P549-W680 WeakPolarHBondContact O-CZ2 3.32Å; L550-W680 HydrophobicContact CD2-CH2 3.76Å; F609-W680 HydrophobicContact CD2-CZ3 4.36Å; F678-W680 HydrophobicContact CD1-CB 4.36Å; F678-W680 HydrophobicContact CD1-CE3 4.38Å; F678-W680 HydrophobicContact CE1-CB 3.84Å; F678-W680 AromaticContact CE1-CD2 4Å; F678-W680 HydrophobicContact CE1-CD2 4Å; F678-W680 AromaticContact CE1-CE3 3.68Å; F678-W680 HydrophobicContact CE1-CE3 3.68Å; F678-W680 HydrophobicContact CE1-CG 4.12Å; W680-P682 WeakPolarHBondContact O-CD 3.26Å; W680-V684 PolarHBondContact NE1-O 2.91Å; W680-L686 HydrophobicContact CD2-CD1 4.47Å; W680-L686 HydrophobicContact CE3-CD1 3.99Å; W680-L686 HydrophobicContact CH2-CB 3.45Å; W680-L686 VanDerWaalsContact CH2-CB 3.45Å; W680-L686 HydrophobicContact CH2-CD1 3.73Å; W680-L686 HydrophobicContact CH2-CD2 3.75Å; W680-L686 HydrophobicContact CH2-CG 3.81Å; W680-L686 HydrophobicContact CZ2-CB 3.65Å; W680-L686 HydrophobicContact CZ2-CD1 4.2Å; W680-L686 HydrophobicContact CZ2-CG 4.38Å; W680-L686 HydrophobicContact CZ3-CB 4.22Å; W680-L686 HydrophobicContact CZ3-CD1 3.59Å; W680-L686 HydrophobicContact CZ3-CD2 3.91Å; W680-L686 HydrophobicContact CZ3-CG 4.09Å
681	E	81	Confident	77	Confident	124 Å²	124	67.2 Å²	67.2	58%	0.579	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-73	117.1	174.6	-70.1	-167.4	171.4	0	0	111.5	N679 G683 V684	N679-E681 PolarHBondContact O-N 2.92Å; E681-G683 PolarHBondContact O-N 3.39Å; E681-V684 HydrophobicContact CB-CB 4.3Å; E681-V684 HydrophobicContact CB-CG2 4.13Å; E681-V684 PolarHBondContact O-N 2.86Å
682	P	75.9	Confident	77.8	Confident	125 Å²	125	71.2 Å²	71.2	81%	0.812	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	134.1	-176.3	-21.8	32.3	0	0	0	112	W680 V684	W680-P682 WeakPolarHBondContact O-CD 3.26Å; P682-V684 VanDerWaalsContact C-N 3.27Å; P682-V684 PolarHBondContact O-N 2.8Å
683	G	74.8	Confident	78.7	Confident	80 Å²	80	70 Å²	70	83%	0.825	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-2.6	177.3	0	0	0	0	0	115.1	E681	E681-G683 PolarHBondContact O-N 3.39Å
684	V	85.1	Confident	79.8	Confident	40 Å²	40	66.2 Å²	66.2	24%	0.242	38%	0.383	C	S	.	.	S	Bend	trans	-99.7	137.3	172.2	-175.6	0	0	0	0	109.5	W680 E681 P682 Q688 Q689	W680-V684 PolarHBondContact NE1-O 2.91Å; E681-V684 HydrophobicContact CB-CB 4.3Å; E681-V684 HydrophobicContact CB-CG2 4.13Å; E681-V684 PolarHBondContact O-N 2.86Å; P682-V684 VanDerWaalsContact C-N 3.27Å; P682-V684 PolarHBondContact O-N 2.8Å; V684-Q688 HydrophobicContact CG1-CB 4.07Å; V684-Q689 PolarHBondContact O-NE2 2.93Å
685	R	86.9	Confident	80.7	Confident	44 Å²	44	67.8 Å²	67.8	17%	0.166	39%	0.394	C	S	.	.			trans	-69.9	144.6	176.6	-163.4	169.7	67	-164.3	9.1	110.3	E224 P549 L550 D687 Q688 Q689	E224-R685 IonicContact OE1-CZ 2.68Å; E224-R685 IonicContact OE1-NH1 2.6Å; E224-R685 PolarHBondContact OE1-NH1 3.31Å; P549-R685 HydrophobicContact CB-CB 4.45Å; P549-R685 HydrophobicContact CB-CG 4.11Å; P549-R685 WeakPolarHBondContact O-CA 3.45Å; L550-R685 WeakPolarHBondContact O-CG 3.43Å; R685-D687 VanDerWaalsContact C-N 3.34Å; R685-D687 WeakPolarHBondContact CB-OD1 3.47Å; R685-D687 WeakPolarHBondContact CD-OD1 3.24Å; R685-D687 WeakPolarHBondContact CG-OD1 3.32Å; R685-D687 IonicContact CZ-OD1 3.23Å; R685-D687 IonicContact CZ-OD2 4Å; R685-D687 IonicContact NE-OD1 3.92Å; R685-D687 PolarHBondContact NE-OD1 3.32Å; R685-D687 IonicContact NE-OD2 3.96Å; R685-D687 PolarHBondContact NE-OD2 3.27Å; R685-D687 IonicContact NH2-OD1 3.03Å; R685-D687 IonicContact NH2-OD2 3.42Å; R685-D687 PolarHBondContact NH2-OD2 2.91Å; R685-D687 PolarHBondContact O-N 3.21Å; R685-Q688 PolarHBondContact O-N 3.09Å; R685-Q689 PolarHBondContact O-NE2 3.17Å
686	L	87.3	Confident	81.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-62.9	-40.3	-172.9	-176.4	60.8	0	0	0	113	P549 L550 F582 M584 F609 F678 W680 Q688 Q689 C690 I693	P549-L686 PolarHBondContact O-N 2.78Å; L550-L686 WeakPolarHBondContact O-CB 3.48Å; L550-L686 PolarHBondContact O-N 2.94Å; F582-L686 HydrophobicContact CE2-CD2 4.05Å; F582-L686 HydrophobicContact CZ-CD2 3.6Å; M584-L686 HydrophobicContact CE-CB 3.99Å; M584-L686 HydrophobicContact CE-CD2 3.52Å; M584-L686 HydrophobicContact CE-CG 3.75Å; F609-L686 HydrophobicContact CD1-CD1 4.24Å; F609-L686 HydrophobicContact CE1-CD1 3.73Å; F609-L686 HydrophobicContact CE1-CD2 3.78Å; F609-L686 HydrophobicContact CE1-CG 4.26Å; F609-L686 HydrophobicContact CE2-CD2 3.72Å; F609-L686 HydrophobicContact CZ-CD1 4.08Å; F609-L686 HydrophobicContact CZ-CD2 3.21Å; F609-L686 HydrophobicContact CZ-CG 4.16Å; F678-L686 HydrophobicContact CE1-CD1 3.94Å; F678-L686 HydrophobicContact CZ-CD1 4.04Å; W680-L686 HydrophobicContact CD2-CD1 4.47Å; W680-L686 HydrophobicContact CE3-CD1 3.99Å; W680-L686 HydrophobicContact CH2-CB 3.45Å; W680-L686 VanDerWaalsContact CH2-CB 3.45Å; W680-L686 HydrophobicContact CH2-CD1 3.73Å; W680-L686 HydrophobicContact CH2-CD2 3.75Å; W680-L686 HydrophobicContact CH2-CG 3.81Å; W680-L686 HydrophobicContact CZ2-CB 3.65Å; W680-L686 HydrophobicContact CZ2-CD1 4.2Å; W680-L686 HydrophobicContact CZ2-CG 4.38Å; W680-L686 HydrophobicContact CZ3-CB 4.22Å; W680-L686 HydrophobicContact CZ3-CD1 3.59Å; W680-L686 HydrophobicContact CZ3-CD2 3.91Å; W680-L686 HydrophobicContact CZ3-CG 4.09Å; L686-Q688 PolarHBondContact O-N 3.1Å; L686-Q689 HydrophobicContact CD1-CG 4.33Å; L686-Q689 CarbonylContact O-C 3.52Å; L686-Q689 WeakPolarHBondContact O-CG 3.26Å; L686-Q689 PolarHBondContact O-N 3.07Å; L686-C690 PolarHBondContact O-N 3.46Å; L686-C690 PolarHBondContact O-SG 3.39Å; L686-I693 HydrophobicContact CD1-CD1 3.89Å; L686-I693 HydrophobicContact CD1-CG1 4.26Å; L686-I693 HydrophobicContact CG-CD1 4.26Å
687	D	85.9	Confident	82	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.123	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-55.9	-30.1	178.8	61.2	-9.7	0	0	0	114.1	L550 A552 M584 I587 R685 Q689 C690	L550-D687 PolarHBondContact O-N 2.91Å; L550-D687 VanDerWaalsContact O-N 3.15Å; A552-D687 PolarHBondContact N-OD2 3.15Å; M584-D687 HydrophobicContact CE-CB 4.39Å; M584-D687 HydrophobicContact SD-CB 3.94Å; I587-D687 HydrophobicContact CD1-CB 3.41Å; I587-D687 VanDerWaalsContact CD1-CB 3.41Å; R685-D687 VanDerWaalsContact C-N 3.34Å; R685-D687 WeakPolarHBondContact CB-OD1 3.47Å; R685-D687 WeakPolarHBondContact CD-OD1 3.24Å; R685-D687 WeakPolarHBondContact CG-OD1 3.32Å; R685-D687 IonicContact CZ-OD1 3.23Å; R685-D687 IonicContact CZ-OD2 4Å; R685-D687 IonicContact NE-OD1 3.92Å; R685-D687 PolarHBondContact NE-OD1 3.32Å; R685-D687 IonicContact NE-OD2 3.96Å; R685-D687 PolarHBondContact NE-OD2 3.27Å; R685-D687 IonicContact NH2-OD1 3.03Å; R685-D687 IonicContact NH2-OD2 3.42Å; R685-D687 PolarHBondContact NH2-OD2 2.91Å; R685-D687 PolarHBondContact O-N 3.21Å; D687-Q689 VanDerWaalsContact C-N 3.32Å; D687-C690 VanDerWaalsContact CA-SG 3.56Å
688	Q	85.9	Confident	81.9	Confident	129 Å²	129	55.8 Å²	55.8	60%	0.603	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-76.8	-17.7	178.6	-66.2	171	6.3	0	0	113.3	V684 R685 L686	V684-Q688 HydrophobicContact CG1-CB 4.07Å; R685-Q688 PolarHBondContact O-N 3.09Å; L686-Q688 PolarHBondContact O-N 3.1Å
689	Q	85.8	Confident	81.2	Confident	15 Å²	15	60.4 Å²	60.4	7%	0.07	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-118.9	24.2	-177.7	58.3	-173.7	-47.9	0	0	112.5	F678 V684 R685 L686 D687 S691 T692	F678-Q689 HydrophobicContact CZ-CG 4.12Å; V684-Q689 PolarHBondContact O-NE2 2.93Å; R685-Q689 PolarHBondContact O-NE2 3.17Å; L686-Q689 HydrophobicContact CD1-CG 4.33Å; L686-Q689 CarbonylContact O-C 3.52Å; L686-Q689 WeakPolarHBondContact O-CG 3.26Å; L686-Q689 PolarHBondContact O-N 3.07Å; D687-Q689 VanDerWaalsContact C-N 3.32Å; Q689-S691 PolarHBondContact O-N 3.32Å; Q689-S691 VanDerWaalsContact O-N 3.15Å; Q689-T692 PolarHBondContact O-N 2.68Å; Q689-T692 PolarHBondContact O-OG1 3.34Å
690	C	80.6	Confident	80.8	Confident	17 Å²	17	55 Å²	55	12%	0.115	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-62.4	-24.5	-174.6	-85.1	0	0	0	0	115.5	L686 D687 T692 I693	L686-C690 PolarHBondContact O-N 3.46Å; L686-C690 PolarHBondContact O-SG 3.39Å; D687-C690 VanDerWaalsContact CA-SG 3.56Å; C690-T692 VanDerWaalsContact C-N 3.27Å; C690-T692 PolarHBondContact O-N 3.37Å; C690-I693 VanDerWaalsContact CA-CD1 3.49Å; C690-I693 HydrophobicContact CB-CD1 4.1Å; C690-I693 PolarHBondContact O-N 3.01Å
691	S	77.2	Confident	80.3	Confident	118 Å²	118	54.8 Å²	54.8	83%	0.825	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-69.3	-24.8	-178.2	55.4	0	0	0	0	113.5	Q689	Q689-S691 PolarHBondContact O-N 3.32Å; Q689-S691 VanDerWaalsContact O-N 3.15Å
692	T	81.9	Confident	80.1	Confident	91 Å²	91	56.4 Å²	56.4	56%	0.558	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-90.7	-5.4	-178.3	45.6	0	0	0	0	113.9	F678 Q689 C690	F678-T692 WeakPolarHBondContact CE2-OG1 3.27Å; Q689-T692 PolarHBondContact O-N 2.68Å; Q689-T692 PolarHBondContact O-OG1 3.34Å; C690-T692 VanDerWaalsContact C-N 3.27Å; C690-T692 PolarHBondContact O-N 3.37Å
693	I	85.1	Confident	80.6	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.051	34%	0.344	C	S	.	.	S	Bend	trans	-73.4	126.8	-178.5	-58.3	163.1	0	0	0	109.7	Y593 F609 F678 L686 C690 C695	Y593-I693 HydrophobicContact CD1-CD1 4.19Å; Y593-I693 HydrophobicContact CE1-CD1 3.63Å; Y593-I693 HydrophobicContact CE1-CG2 4.47Å; F609-I693 HydrophobicContact CD1-CG1 4.21Å; F609-I693 HydrophobicContact CD1-CG2 3.79Å; F609-I693 HydrophobicContact CE1-CB 4.29Å; F609-I693 HydrophobicContact CE1-CD1 3.64Å; F609-I693 HydrophobicContact CE1-CG1 3.76Å; F609-I693 HydrophobicContact CE1-CG2 3.51Å; F609-I693 HydrophobicContact CZ-CD1 4.42Å; F678-I693 HydrophobicContact CD2-CG1 4.36Å; F678-I693 HydrophobicContact CE2-CG1 4.08Å; F678-I693 HydrophobicContact CZ-CG1 4.26Å; L686-I693 HydrophobicContact CD1-CD1 3.89Å; L686-I693 HydrophobicContact CD1-CG1 4.26Å; L686-I693 HydrophobicContact CG-CD1 4.26Å; C690-I693 VanDerWaalsContact CA-CD1 3.49Å; C690-I693 HydrophobicContact CB-CD1 4.1Å; C690-I693 PolarHBondContact O-N 3.01Å; I693-C695 PolarHBondContact O-N 2.83Å
694	P	85.3	Confident	81.2	Confident	12 Å²	12	55.7 Å²	55.7	8%	0.078	32%	0.323	C	S	.	.			trans	-54.5	130.9	171	-24.6	33.6	0	0	0	111.1	S611 S676 F678	S611-P694 PolarHBondContact N-O 2.86Å; S611-P694 PolarHBondContact OG-O 2.94Å; S676-P694 VanDerWaalsContact O-CG 3.23Å; S676-P694 WeakPolarHBondContact O-CG 3.34Å; F678-P694 HydrophobicContact CB-CG 4.13Å
695	C	84.2	Confident	81.5	Confident	59 Å²	59	55.4 Å²	55.4	40%	0.399	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.8	-177	-164.5	0	0	0	0	109.5	S611 I693	S611-C695 CarbonylContact O-C 3.39Å; S611-C695 VanDerWaalsContact O-CA 3.31Å; S611-C695 WeakPolarHBondContact O-CA 3.47Å; S611-C695 WeakPolarHBondContact OG-CA 3.44Å; S611-C695 WeakPolarHBondContact OG-CB 3.43Å; I693-C695 PolarHBondContact O-N 2.83Å
696	Q	83	Confident	81.6	Confident	30 Å²	30	56.2 Å²	56.2	14%	0.14	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.3	172	-64.7	-149.9	-7.1	0	0	110.6	S611 F612 D613 S671 S673	S611-Q696 PolarHBondContact O-N 2.92Å; F612-Q696 CarbonylContact C-O 3.57Å; F612-Q696 VanDerWaalsContact CA-O 3.31Å; F612-Q696 WeakPolarHBondContact CA-O 3.45Å; F612-Q696 HydrophobicContact CD1-CB 4.24Å; D613-Q696 PolarHBondContact N-O 3.12Å; S671-Q696 PolarHBondContact O-OE1 2.83Å; S673-Q696 PolarHBondContact O-NE2 2.88Å
697	G	76	Confident	81.7	Confident	52 Å²	52	56.5 Å²	56.5	54%	0.536	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.8	170.6	0	0	0	0	0	110	V699	G697-V699 PolarHBondContact O-N 2.93Å
698	L	73.6	Confident	81.6	Confident	7 Å²	7	62 Å²	62	4%	0.037	35%	0.35	C	S	.	.			trans	-73.9	113.1	175.6	-171	72.9	0	0	0	109.6	F612 D613 L614 V666 L700	F612-L698 HydrophobicContact CB-CD1 4.47Å; D613-L698 VanDerWaalsContact O-CB 3.22Å; D613-L698 WeakPolarHBondContact O-CB 3.37Å; D613-L698 PolarHBondContact O-N 2.94Å; L614-L698 HydrophobicContact CD2-CB 4.49Å; L614-L698 HydrophobicContact CD2-CD2 3.52Å; V666-L698 HydrophobicContact CB-CD1 4.2Å; V666-L698 HydrophobicContact CG1-CD1 3.38Å; V666-L698 HydrophobicContact CG2-CD1 3.76Å; V666-L698 HydrophobicContact CG2-CD2 3.8Å; V666-L698 HydrophobicContact CG2-CG 4.23Å; L698-L700 HydrophobicContact CD2-CD2 3.69Å; L698-L700 HydrophobicContact CD2-CG 4.26Å; L698-L700 HydrophobicContact CG-CD2 4.25Å; L698-L700 PolarHBondContact O-N 2.81Å
699	V	68.8	Low	81.6	Confident	114 Å²	114	63.4 Å²	63.4	69%	0.691	36%	0.362	S	S	*	.			trans	-88.7	106.5	170.8	-176.1	0	0	0	0	107.9	G697 G701	G697-V699 PolarHBondContact O-N 2.93Å; V699-G701 PolarHBondContact O-N 2.82Å
700	L	70.7	Confident	81.7	Confident	22 Å²	22	63.1 Å²	63.1	12%	0.115	36%	0.36	C	S	.	.			trans	-75.3	112	171.3	-65.2	173.4	0	0	0	107.1	L651 A664 V666 L698	L651-L700 HydrophobicContact CD1-CD1 4.31Å; A664-L700 HydrophobicContact CB-CD2 3.75Å; V666-L700 HydrophobicContact CG2-CD2 4.24Å; L698-L700 HydrophobicContact CD2-CD2 3.69Å; L698-L700 HydrophobicContact CD2-CG 4.26Å; L698-L700 HydrophobicContact CG-CD2 4.25Å; L698-L700 PolarHBondContact O-N 2.81Å
701	G	70.4	Confident	82.2	Confident	39 Å²	39	69.9 Å²	69.9	40%	0.402	39%	0.388	S	S	.	.			trans	-67.7	-162.2	171.9	0	0	0	0	0	111.5	V699 Q703	V699-G701 PolarHBondContact O-N 2.82Å; G701-Q703 PolarHBondContact O-N 3.47Å; G701-Q703 VanDerWaalsContact O-N 3.13Å
702	N	78.7	Confident	82.8	Confident	157 Å²	157	64.2 Å²	64.2	84%	0.84	35%	0.349	S	S	*	.	S	Bend	trans	-75.9	3.3	178.7	-63.8	-5.9	0	0	0	114	W704	N702-W704 PolarHBondContact O-N 2.89Å
703	Q	86	Confident	83.2	Confident	88 Å²	88	61.7 Å²	61.7	41%	0.411	33%	0.33	S	S	.	.			trans	-97.2	66	-175.4	-64.7	-175.5	-36.3	0	0	111.5	F4 Q665 G701	F4-Q703 HydrophobicContact CE1-CB 4.27Å; F4-Q703 HydrophobicContact CZ-CB 4.16Å; F4-Q703 VanDerWaalsContact CZ-O 3.31Å; F4-Q703 WeakPolarHBondContact CZ-O 3.41Å; Q665-Q703 HydrophobicContact CB-CB 4.05Å; Q665-Q703 PolarHBondContact N-O 3.03Å; G701-Q703 PolarHBondContact O-N 3.47Å; G701-Q703 VanDerWaalsContact O-N 3.13Å
704	W	87.8	Confident	83.6	Confident	103 Å²	103	61.6 Å²	61.6	39%	0.39	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.6	171.9	64.2	-91.6	0	0	0	112.1	A3 L662 L663 A664 N702 E706	A3-W704 WeakPolarHBondContact CB-O 3.37Å; L662-W704 HydrophobicContact CD2-CE3 3.65Å; L662-W704 HydrophobicContact CD2-CZ3 3.77Å; L663-W704 CarbonylContact O-C 3.58Å; L663-W704 VanDerWaalsContact O-CA 3.25Å; L663-W704 WeakPolarHBondContact O-CA 3.28Å; A664-W704 HydrophobicContact CB-CB 3.7Å; N702-W704 PolarHBondContact O-N 2.89Å; W704-E706 HydrophobicContact CZ3-CB 4.48Å
705	R	89.7	Confident	84	Confident	33 Å²	33	61.2 Å²	61.2	13%	0.125	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.9	179.1	-172.6	171.8	175.3	147.7	7.2	111	P2 A3 F4 L662 L663 D743	P2-R705 HydrophobicContact CB-CG 4.14Å; A3-R705 VanDerWaalsContact O-CB 3.28Å; A3-R705 WeakPolarHBondContact O-CB 3.18Å; A3-R705 VanDerWaalsContact O-CD 3.3Å; A3-R705 WeakPolarHBondContact O-CD 3.5Å; F4-R705 HydrophobicContact CD2-CB 3.85Å; F4-R705 HydrophobicContact CE2-CB 4.35Å; F4-R705 PolarHBondContact O-NH1 2.97Å; L662-R705 WeakPolarHBondContact CA-O 3.34Å; L663-R705 PolarHBondContact N-O 2.88Å; L663-R705 PolarHBondContact O-N 2.97Å; R705-D743 IonicContact CZ-OD2 2.91Å; R705-D743 VanDerWaalsContact NH1-CG 3.29Å; R705-D743 IonicContact NH1-OD1 2.93Å; R705-D743 IonicContact NH1-OD2 3.61Å; R705-D743 PolarHBondContact NH1-OD2 2.95Å; R705-D743 IonicContact NH2-OD2 3.58Å; R705-D743 PolarHBondContact NH2-OD2 3.24Å
706	E	89.2	Confident	84.5	Confident	61 Å²	61	58.9 Å²	58.9	29%	0.285	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.5	166.8	-167.8	170.8	161.4	0	0	110.2	R660 L662 W704 E708	R660-E706 WeakPolarHBondContact CD-OE1 3.2Å; R660-E706 VanDerWaalsContact CG-OE1 3.24Å; R660-E706 WeakPolarHBondContact CG-OE1 3.32Å; R660-E706 IonicContact CZ-OE1 2.72Å; R660-E706 IonicContact CZ-OE2 2.86Å; R660-E706 IonicContact NE-OE1 3.82Å; R660-E706 IonicContact NH1-OE1 2.74Å; R660-E706 IonicContact NH1-OE2 3.55Å; R660-E706 PolarHBondContact NH1-OE2 2.91Å; L662-E706 HydrophobicContact CD2-CB 3.92Å; L662-E706 HydrophobicContact CD2-CG 4.19Å; W704-E706 HydrophobicContact CZ3-CB 4.48Å; E706-E708 PolarHBondContact O-N 2.9Å
707	L	89.7	Confident	85	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.037	31%	0.312	C	S	.	.			trans	-93	83.6	-178.4	-62.5	179.4	0	0	0	109.7	R661 L663 M710 A712 V726 F737	R661-L707 HydrophobicContact CB-CB 4.14Å; R661-L707 PolarHBondContact O-N 3.42Å; L663-L707 HydrophobicContact CB-CD1 4.18Å; L663-L707 HydrophobicContact CB-CD2 4.28Å; L663-L707 HydrophobicContact CB-CG 4.26Å; L707-M710 HydrophobicContact CB-CB 4.45Å; L707-M710 PolarHBondContact O-N 2.82Å; L707-A712 HydrophobicContact CD1-CB 3.37Å; L707-V726 HydrophobicContact CD1-CG1 4.03Å; L707-F737 HydrophobicContact CD2-CE1 4.35Å; L707-F737 HydrophobicContact CD2-CE2 4.04Å; L707-F737 HydrophobicContact CD2-CZ 3.57Å
708	E	85.1	Confident	85.8	Confident	138 Å²	138	56.9 Å²	56.9	65%	0.645	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	135.5	-178.7	-61.3	-176.7	-176.5	0	0	111.8	E706 M710 R735	E706-E708 PolarHBondContact O-N 2.9Å; E708-M710 PolarHBondContact O-N 2.84Å; E708-M710 VanDerWaalsContact O-N 3.08Å; E708-R735 VanDerWaalsContact O-CZ 3.25Å; E708-R735 PolarHBondContact O-NH1 2.92Å; E708-R735 PolarHBondContact O-NH2 3.02Å
709	N	85.1	Confident	86.5	Confident	159 Å²	159	57.3 Å²	57.3	85%	0.85	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	23.9	177.9	-59.8	-37.9	0	0	0	115.4
710	M	87.6	Confident	87.4	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.039	30%	0.298	C	S	.	.			trans	-128.7	126	175.4	-176.6	-179.2	-165	0	0	111.8	R661 L707 E708 A712 V726 R735	R661-M710 WeakPolarHBondContact CG-O 3.22Å; L707-M710 HydrophobicContact CB-CB 4.45Å; L707-M710 PolarHBondContact O-N 2.82Å; E708-M710 PolarHBondContact O-N 2.84Å; E708-M710 VanDerWaalsContact O-N 3.08Å; M710-A712 HydrophobicContact CG-CB 4.24Å; M710-A712 PolarHBondContact O-N 2.91Å; M710-A712 HydrophobicContact SD-CB 4.32Å; M710-V726 HydrophobicContact CE-CB 4.03Å; M710-V726 HydrophobicContact CE-CG1 3.69Å; M710-V726 WeakPolarHBondContact CE-O 3.48Å; M710-V726 HydrophobicContact SD-CB 4.45Å; M710-V726 HydrophobicContact SD-CG1 4.04Å; M710-R735 VanDerWaalsContact CB-CZ 3.45Å; M710-R735 VanDerWaalsContact CB-NH1 3.3Å; M710-R735 HydrophobicContact CE-CB 4.19Å; M710-R735 HydrophobicContact CE-CG 4.14Å; M710-R735 HydrophobicContact SD-CB 4.02Å; M710-R735 VanDerWaalsContact SD-CD 3.55Å; M710-R735 HydrophobicContact SD-CG 3.75Å
711	K	90.6	Very high	88.4	Confident	159 Å²	159	62 Å²	62	69%	0.691	31%	0.309	S	S	*	.			trans	-81.3	62.1	169.6	-65.3	-173.4	177.5	-174.2	0	110.3	S728 A729	K711-S728 CarbonylContact O-C 3.57Å; K711-S728 WeakPolarHBondContact O-CA 3.27Å; K711-S728 VanDerWaalsContact O-CB 3.3Å; K711-S728 WeakPolarHBondContact O-CB 3.44Å; K711-A729 PolarHBondContact O-N 3.48Å
712	A	90.8	Very high	89.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	139.4	-179.1	0	0	0	0	0	111.6	L637 V650 R661 L707 M710 V726	L637-A712 WeakPolarHBondContact CD1-O 3.2Å; V650-A712 HydrophobicContact CG1-CB 4.08Å; R661-A712 HydrophobicContact CB-CB 4.11Å; R661-A712 VanDerWaalsContact CD-O 3.28Å; R661-A712 WeakPolarHBondContact CD-O 3.49Å; R661-A712 HydrophobicContact CG-CB 4.25Å; R661-A712 PolarHBondContact NE-O 3.13Å; L707-A712 HydrophobicContact CD1-CB 3.37Å; M710-A712 HydrophobicContact CG-CB 4.24Å; M710-A712 PolarHBondContact O-N 2.91Å; M710-A712 HydrophobicContact SD-CB 4.32Å; A712-V726 HydrophobicContact CB-CG1 3.52Å
713	Q	90.6	Very high	90.2	Very high	37 Å²	37	57 Å²	57	17%	0.173	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	-48.4	-178.1	-171.9	67.9	24.8	0	0	112	D638 L727 A729	D638-Q713 WeakPolarHBondContact CB-O 3.12Å; Q713-L727 PolarHBondContact N-O 2.84Å; Q713-A729 HydrophobicContact CB-CB 4.18Å
714	F	92.8	Very high	90.6	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.035	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.2	-174.9	-52.5	-71.8	0	0	0	111.6	M19 I560 F564 D638 V726 L727 L731	M19-F714 HydrophobicContact CE-CB 4.16Å; I560-F714 HydrophobicContact CG2-CE1 4.32Å; I560-F714 HydrophobicContact CG2-CE2 4.35Å; I560-F714 HydrophobicContact CG2-CZ 3.54Å; F564-F714 HydrophobicContact CB-CB 4.42Å; F564-F714 HydrophobicContact CB-CD1 3.48Å; F564-F714 VanDerWaalsContact CB-CD1 3.48Å; F564-F714 HydrophobicContact CB-CD2 4.18Å; F564-F714 HydrophobicContact CB-CE1 3.62Å; F564-F714 HydrophobicContact CB-CE2 4.32Å; F564-F714 HydrophobicContact CB-CG 3.76Å; F564-F714 HydrophobicContact CB-CZ 4.06Å; F564-F714 HydrophobicContact CD1-CB 4.32Å; F564-F714 HydrophobicContact CD1-CG 4.42Å; F564-F714 HydrophobicContact CG-CD1 4.35Å; F564-F714 HydrophobicContact CG-CD2 4.33Å; F564-F714 HydrophobicContact CG-CG 4.14Å; F564-F714 WeakPolarHBondContact O-CD1 3.37Å; D638-F714 HydrophobicContact CB-CD1 4.37Å; D638-F714 WeakPolarHBondContact OD2-CA 3.47Å; F714-V726 CarbonylContact O-C 3.57Å; F714-V726 WeakPolarHBondContact O-CA 3.4Å; F714-L727 HydrophobicContact CB-CB 4.29Å; F714-L727 HydrophobicContact CD2-CD2 4.19Å; F714-L727 PolarHBondContact N-O 3.35Å; F714-L727 PolarHBondContact O-N 3.48Å; F714-L731 HydrophobicContact CD2-CD2 4.04Å; F714-L731 HydrophobicContact CE2-CD2 3.66Å
715	V	93.9	Very high	90.9	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143	176.9	69.5	0	0	0	0	111.3	D638 R640 T648 V650 L663 V717 A724 C725 V726	D638-V715 PolarHBondContact OD2-N 2.83Å; R640-V715 HydrophobicContact CB-CG1 4.26Å; R640-V715 HydrophobicContact CG-CG1 3.94Å; R640-V715 WeakPolarHBondContact CG-O 3.3Å; T648-V715 HydrophobicContact CG2-CG1 4.47Å; T648-V715 HydrophobicContact CG2-CG2 4.09Å; V650-V715 HydrophobicContact CG2-CB 3.75Å; V650-V715 HydrophobicContact CG2-CG1 3.95Å; L663-V715 HydrophobicContact CD1-CG2 4.15Å; V715-V717 HydrophobicContact CG2-CG1 3.78Å; V715-A724 HydrophobicContact CG2-CB 4.46Å; V715-C725 CarbonylContact C-O 3.54Å; V715-C725 WeakPolarHBondContact CA-O 3.21Å; V715-V726 HydrophobicContact CG2-CG2 4.19Å
716	A	93.6	Very high	91.2	Very high	10 Å²	10	46.3 Å²	46.3	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.8	166.3	0	0	0	0	0	109	M19 W21 A724 C725	M19-A716 HydrophobicContact CE-CB 3.74Å; M19-A716 HydrophobicContact CG-CB 3.53Å; M19-A716 HydrophobicContact SD-CB 4.02Å; W21-A716 PolarHBondContact NE1-O 2.67Å; A716-A724 CarbonylContact O-C 3.54Å; A716-A724 WeakPolarHBondContact O-CA 3.35Å; A716-C725 PolarHBondContact N-O 3.33Å; A716-C725 PolarHBondContact O-N 3.41Å
717	V	93.8	Very high	91.4	Very high	25 Å²	25	43.4 Å²	43.4	15%	0.152	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.3	-171.1	-63.2	0	0	0	0	112.1	R640 F641 Y642 T648 V715 V723 A724	R640-V717 HydrophobicContact CB-CG2 3.86Å; F641-V717 WeakPolarHBondContact O-CG2 3.04Å; Y642-V717 HydrophobicContact CD2-CB 4.14Å; T648-V717 HydrophobicContact CG2-CG1 3.9Å; V715-V717 HydrophobicContact CG2-CG1 3.78Å; V717-V723 WeakPolarHBondContact CA-O 3.33Å; V717-A724 HydrophobicContact CG1-CB 3.98Å
718	N	93.3	Very high	91.6	Very high	16 Å²	16	43.2 Å²	43.2	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	110.7	165.2	179.2	-21.8	0	0	0	109	W21 S22 P23 I720 R721 K722 V723	W21-N718 HydrophobicContact CB-CB 3.9Å; W21-N718 HydrophobicContact CG-CB 4.15Å; S22-N718 PolarHBondContact O-ND2 3.4Å; P23-N718 PolarHBondContact O-ND2 2.92Å; N718-I720 WeakPolarHBondContact OD1-CA 3.44Å; N718-I720 WeakPolarHBondContact OD1-CB 3.38Å; N718-I720 PolarHBondContact OD1-N 2.99Å; N718-R721 HydrophobicContact CB-CB 4.45Å; N718-R721 PolarHBondContact OD1-N 3.27Å; N718-R721 VanDerWaalsContact OD1-N 3.09Å; N718-K722 VanDerWaalsContact O-CA 3.3Å; N718-K722 WeakPolarHBondContact O-CA 3.38Å; N718-K722 PolarHBondContact O-N 2.94Å; N718-V723 HydrophobicContact CB-CG2 3.97Å; N718-V723 PolarHBondContact N-O 2.89Å; N718-V723 PolarHBondContact O-N 3.32Å; N718-V723 VanDerWaalsContact O-N 3.07Å
719	G	87.8	Confident	91.8	Very high	15 Å²	15	39.2 Å²	39.2	16%	0.155	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.5	179.5	0	0	0	0	0	115.3	Y642 K722	Y642-G719 WeakPolarHBondContact O-CA 3.48Å; Y642-G719 PolarHBondContact O-N 2.85Å; G719-K722 WeakPolarHBondContact O-CG 3.25Å
720	I	88.3	Confident	92	Very high	140 Å²	140	35.5 Å²	35.5	72%	0.718	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-43.3	176.2	-58.3	172.8	0	0	0	110.1	N718	N718-I720 WeakPolarHBondContact OD1-CA 3.44Å; N718-I720 WeakPolarHBondContact OD1-CB 3.38Å; N718-I720 PolarHBondContact OD1-N 2.99Å
721	R	90.9	Very high	92.1	Very high	95 Å²	95	36.5 Å²	36.5	36%	0.358	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.7	177.5	-61.7	-54.8	-61.6	-149.2	12.6	113.5	K24 D26 N718 V723	K24-R721 WeakPolarHBondContact O-CD 3.31Å; K24-R721 PolarHBondContact O-NH1 3.2Å; D26-R721 IonicContact OD1-CZ 3.69Å; D26-R721 IonicContact OD1-NE 3.25Å; D26-R721 PolarHBondContact OD1-NE 3.25Å; D26-R721 IonicContact OD1-NH2 3.2Å; D26-R721 PolarHBondContact OD1-NH2 2.84Å; D26-R721 IonicContact OD2-CZ 2.78Å; D26-R721 IonicContact OD2-NH2 3.66Å; D26-R721 PolarHBondContact OD2-NH2 3.34Å; N718-R721 HydrophobicContact CB-CB 4.45Å; N718-R721 PolarHBondContact OD1-N 3.27Å; N718-R721 VanDerWaalsContact OD1-N 3.09Å; R721-V723 HydrophobicContact CB-CG2 4.04Å
722	K	93.4	Very high	92.3	Very high	90 Å²	90	34 Å²	34	39%	0.391	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	43.1	178.9	-53.4	170	163.9	-175.9	0	114.7	Y642 N718 G719 M739 D740	Y642-K722 WeakPolarHBondContact OH-CA 3Å; Y642-K722 WeakPolarHBondContact OH-CB 3.49Å; Y642-K722 WeakPolarHBondContact OH-CG 3.4Å; N718-K722 VanDerWaalsContact O-CA 3.3Å; N718-K722 WeakPolarHBondContact O-CA 3.38Å; N718-K722 PolarHBondContact O-N 2.94Å; G719-K722 WeakPolarHBondContact O-CG 3.25Å; K722-M739 PolarHBondContact O-N 3.48Å; K722-D740 HydrophobicContact CB-CB 4.48Å; K722-D740 HydrophobicContact CD-CB 3.78Å; K722-D740 VanDerWaalsContact CD-CG 3.47Å; K722-D740 WeakPolarHBondContact CD-OD2 3.24Å; K722-D740 IonicContact NZ-OD2 3.84Å; K722-D740 PolarHBondContact NZ-OD2 3.11Å
723	V	94.2	Very high	92.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.4	-176.9	-65.8	0	0	0	0	111.9	W21 L42 V717 N718 R721 F737	W21-V723 HydrophobicContact CD2-CG2 3.78Å; W21-V723 HydrophobicContact CE3-CG2 3.87Å; W21-V723 HydrophobicContact CG-CG2 4.39Å; W21-V723 HydrophobicContact CH2-CB 4.33Å; W21-V723 HydrophobicContact CH2-CG2 4.09Å; W21-V723 HydrophobicContact CZ2-CB 4.15Å; W21-V723 HydrophobicContact CZ2-CG2 3.94Å; W21-V723 HydrophobicContact CZ3-CG2 4.04Å; L42-V723 HydrophobicContact CD1-CB 4.2Å; L42-V723 HydrophobicContact CD1-CG1 3.68Å; L42-V723 HydrophobicContact CD2-CG1 3.52Å; L42-V723 HydrophobicContact CG-CG1 4.22Å; V717-V723 WeakPolarHBondContact CA-O 3.33Å; N718-V723 HydrophobicContact CB-CG2 3.97Å; N718-V723 PolarHBondContact N-O 2.89Å; N718-V723 PolarHBondContact O-N 3.32Å; N718-V723 VanDerWaalsContact O-N 3.07Å; R721-V723 HydrophobicContact CB-CG2 4.04Å; V723-F737 WeakPolarHBondContact CA-O 3.48Å
724	A	94.7	Very high	92.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.4	171.9	0	0	0	0	0	111.1	V715 A716 V717 V736 F737 M739	V715-A724 HydrophobicContact CG2-CB 4.46Å; A716-A724 CarbonylContact O-C 3.54Å; A716-A724 WeakPolarHBondContact O-CA 3.35Å; V717-A724 HydrophobicContact CG1-CB 3.98Å; A724-V736 CarbonylContact O-C 3.5Å; A724-V736 WeakPolarHBondContact O-CA 3.31Å; A724-V736 WeakPolarHBondContact O-CG1 3.33Å; A724-F737 PolarHBondContact N-O 2.91Å; A724-F737 PolarHBondContact O-N 2.97Å; A724-M739 HydrophobicContact CB-CE 4.38Å; A724-M739 HydrophobicContact CB-CG 3.89Å; A724-M739 HydrophobicContact CB-SD 3.54Å; A724-M739 VanDerWaalsContact CB-SD 3.54Å
725	C	94.9	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120	174.5	175	0	0	0	0	108.1	W21 I28 V715 A716 I734 R735 V736	W21-C725 HydrophobicContact CZ2-CB 3.73Å; I28-C725 HydrophobicContact CD1-CB 3.65Å; V715-C725 CarbonylContact C-O 3.54Å; V715-C725 WeakPolarHBondContact CA-O 3.21Å; A716-C725 PolarHBondContact N-O 3.33Å; A716-C725 PolarHBondContact O-N 3.41Å; C725-I734 WeakPolarHBondContact SG-CG2 3.46Å; C725-R735 CarbonylContact C-O 3.53Å; C725-R735 WeakPolarHBondContact CA-O 3.3Å; C725-V736 HydrophobicContact CB-CG2 4.27Å
726	V	95.1	Very high	92.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.9	177.9	-176.6	0	0	0	0	109	L663 L707 M710 A712 F714 V715 I734 R735 F737	L663-V726 HydrophobicContact CD1-CG2 4.19Å; L663-V726 HydrophobicContact CD2-CG2 4.07Å; L707-V726 HydrophobicContact CD1-CG1 4.03Å; M710-V726 HydrophobicContact CE-CB 4.03Å; M710-V726 HydrophobicContact CE-CG1 3.69Å; M710-V726 WeakPolarHBondContact CE-O 3.48Å; M710-V726 HydrophobicContact SD-CB 4.45Å; M710-V726 HydrophobicContact SD-CG1 4.04Å; A712-V726 HydrophobicContact CB-CG1 3.52Å; F714-V726 CarbonylContact O-C 3.57Å; F714-V726 WeakPolarHBondContact O-CA 3.4Å; V715-V726 HydrophobicContact CG2-CG2 4.19Å; V726-I734 WeakPolarHBondContact O-CA 3.47Å; V726-R735 PolarHBondContact N-O 2.72Å; V726-R735 PolarHBondContact O-N 3.02Å; V726-F737 HydrophobicContact CB-CE2 4.19Å; V726-F737 HydrophobicContact CG2-CD2 4.01Å; V726-F737 HydrophobicContact CG2-CE2 3.71Å
727	L	93.9	Very high	92.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.1	176.4	-179.1	68.6	0	0	0	109.4	V16 M19 F564 Q713 F714 L731 I734	V16-L727 HydrophobicContact CB-CD1 4.48Å; V16-L727 HydrophobicContact CB-CD2 4.25Å; V16-L727 HydrophobicContact CG2-CD1 4.38Å; M19-L727 HydrophobicContact CE-CB 3.95Å; M19-L727 HydrophobicContact SD-CB 4.23Å; F564-L727 HydrophobicContact CE1-CD2 4.26Å; F564-L727 HydrophobicContact CE2-CD2 4Å; F564-L727 HydrophobicContact CZ-CD2 3.79Å; Q713-L727 PolarHBondContact N-O 2.84Å; F714-L727 HydrophobicContact CB-CB 4.29Å; F714-L727 HydrophobicContact CD2-CD2 4.19Å; F714-L727 PolarHBondContact N-O 3.35Å; F714-L727 PolarHBondContact O-N 3.48Å; L727-L731 HydrophobicContact CD2-CD2 3.89Å; L727-I734 HydrophobicContact CD1-CD1 4.19Å; L727-I734 HydrophobicContact CD1-CG1 3.56Å
728	S	93.2	Very high	92.7	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	165.6	178	92.9	0	0	0	0	112.9	K711 N730 L731 H733	K711-S728 CarbonylContact O-C 3.57Å; K711-S728 WeakPolarHBondContact O-CA 3.27Å; K711-S728 VanDerWaalsContact O-CB 3.3Å; K711-S728 WeakPolarHBondContact O-CB 3.44Å; S728-N730 PolarHBondContact O-N 3.07Å; S728-N730 VanDerWaalsContact O-N 3.09Å; S728-N730 PolarHBondContact OG-N 2.91Å; S728-N730 PolarHBondContact OG-OD1 2.83Å; S728-L731 PolarHBondContact O-N 3.23Å; S728-H733 PolarHBondContact N-O 3.48Å; S728-H733 WeakPolarHBondContact OG-CB 3.41Å
729	A	89	Confident	92.6	Very high	54 Å²	54	34.3 Å²	34.3	45%	0.446	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22	177.9	0	0	0	0	0	114.5	K711 Q713 L731	K711-A729 PolarHBondContact O-N 3.48Å; Q713-A729 HydrophobicContact CB-CB 4.18Å; A729-L731 PolarHBondContact O-N 3.31Å
730	N	89.2	Confident	92.5	Very high	81 Å²	81	37.4 Å²	37.4	43%	0.433	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.2	175	72.9	15.5	0	0	0	113.7	S728 R732 H733	S728-N730 PolarHBondContact O-N 3.07Å; S728-N730 VanDerWaalsContact O-N 3.09Å; S728-N730 PolarHBondContact OG-N 2.91Å; S728-N730 PolarHBondContact OG-OD1 2.83Å; N730-R732 PolarHBondContact O-N 2.68Å; N730-R732 VanDerWaalsContact O-N 3.1Å; N730-R732 WeakPolarHBondContact OD1-CA 3.48Å; N730-R732 PolarHBondContact OD1-N 3.32Å; N730-H733 PolarHBondContact OD1-N 2.77Å
731	L	91.2	Very high	92.2	Very high	29 Å²	29	33 Å²	33	15%	0.152	16%	0.162	C	C	.	.	S	Bend	trans	58.6	16	-178.5	-53.6	178.2	0	0	0	115	P15 V16 P561 F714 L727 S728 A729	P15-L731 CarbonylContact C-O 3.57Å; P15-L731 WeakPolarHBondContact CA-O 3.39Å; P15-L731 HydrophobicContact CB-CB 3.96Å; V16-L731 PolarHBondContact N-O 3.48Å; P561-L731 HydrophobicContact CG-CD1 3.93Å; F714-L731 HydrophobicContact CD2-CD2 4.04Å; F714-L731 HydrophobicContact CE2-CD2 3.66Å; L727-L731 HydrophobicContact CD2-CD2 3.89Å; S728-L731 PolarHBondContact O-N 3.23Å; A729-L731 PolarHBondContact O-N 3.31Å
732	R	92.8	Very high	91.7	Very high	105 Å²	105	34.2 Å²	34.2	40%	0.396	17%	0.172	S	C	.	.	S	Bend	trans	-124.8	-33.1	-176.7	-67.4	-178.9	-165.6	-159	2.5	113.4	L12 P13 P15 N730	L12-R732 WeakPolarHBondContact CB-O 3.3Å; L12-R732 PolarHBondContact N-O 2.78Å; L12-R732 WeakPolarHBondContact O-CB 3.46Å; P13-R732 PolarHBondContact O-NH1 2.92Å; P15-R732 HydrophobicContact CG-CG 4.29Å; N730-R732 PolarHBondContact O-N 2.68Å; N730-R732 VanDerWaalsContact O-N 3.1Å; N730-R732 WeakPolarHBondContact OD1-CA 3.48Å; N730-R732 PolarHBondContact OD1-N 3.32Å
733	H	94.3	Very high	90.8	Very high	24 Å²	24	31.2 Å²	31.2	11%	0.111	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.7	179.8	-175.6	-151	0	0	0	110.8	E9 Q11 S728 N730	E9-H733 IonicContact OE1-CD2 2.67Å; E9-H733 IonicContact OE1-CE1 3.63Å; E9-H733 PolarHBondContact OE1-CE1 2.72Å; E9-H733 VanDerWaalsContact OE1-CE1 3.23Å; E9-H733 IonicContact OE1-NE2 2.66Å; E9-H733 PolarHBondContact OE1-NE2 3.35Å; Q11-H733 VanDerWaalsContact OE1-CA 3.3Å; S728-H733 PolarHBondContact N-O 3.48Å; S728-H733 WeakPolarHBondContact OG-CB 3.41Å; N730-H733 PolarHBondContact OD1-N 2.77Å
734	I	94.6	Very high	89.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.8	179.4	-66.8	179	0	0	0	110.3	E9 K10 L12 V16 L30 F45 C725 V726 L727 V736	E9-I734 WeakPolarHBondContact CA-O 3.28Å; K10-I734 PolarHBondContact N-O 3.12Å; K10-I734 PolarHBondContact O-N 3.18Å; L12-I734 HydrophobicContact CD1-CD1 3.48Å; L12-I734 VanDerWaalsContact CD1-CD1 3.48Å; L12-I734 HydrophobicContact CD1-CG1 4.36Å; L12-I734 HydrophobicContact CG-CD1 4.28Å; V16-I734 HydrophobicContact CG2-CD1 4.32Å; L30-I734 HydrophobicContact CD1-CD1 4.06Å; L30-I734 HydrophobicContact CD2-CD1 4.28Å; F45-I734 HydrophobicContact CE1-CB 4.42Å; F45-I734 HydrophobicContact CE1-CD1 3.97Å; F45-I734 HydrophobicContact CE1-CG2 4.18Å; F45-I734 HydrophobicContact CE2-CG2 3.91Å; F45-I734 HydrophobicContact CZ-CB 4.33Å; F45-I734 HydrophobicContact CZ-CD1 3.69Å; F45-I734 HydrophobicContact CZ-CG2 3.7Å; C725-I734 WeakPolarHBondContact SG-CG2 3.46Å; V726-I734 WeakPolarHBondContact O-CA 3.47Å; L727-I734 HydrophobicContact CD1-CD1 4.19Å; L727-I734 HydrophobicContact CD1-CG1 3.56Å; I734-V736 HydrophobicContact CG2-CG2 3.89Å
735	R	94.9	Very high	87.6	Confident	17 Å²	17	43.9 Å²	43.9	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.8	164.6	-70.3	-171.5	-169.5	160.1	-1.5	110.7	G8 E9 E708 M710 C725 V726 F737	G8-R735 WeakPolarHBondContact O-CA 3.47Å; E9-R735 HydrophobicContact CB-CG 4.07Å; E9-R735 HydrophobicContact CG-CG 3.78Å; E9-R735 IonicContact OE1-CZ 2.86Å; E9-R735 IonicContact OE1-NE 3.39Å; E9-R735 PolarHBondContact OE1-NE 2.88Å; E9-R735 IonicContact OE1-NH2 2.84Å; E9-R735 PolarHBondContact OE1-NH2 3.29Å; E9-R735 IonicContact OE2-CZ 2.58Å; E9-R735 IonicContact OE2-NE 2.75Å; E9-R735 PolarHBondContact OE2-NE 3.04Å; E708-R735 VanDerWaalsContact O-CZ 3.25Å; E708-R735 PolarHBondContact O-NH1 2.92Å; E708-R735 PolarHBondContact O-NH2 3.02Å; M710-R735 VanDerWaalsContact CB-CZ 3.45Å; M710-R735 VanDerWaalsContact CB-NH1 3.3Å; M710-R735 HydrophobicContact CE-CB 4.19Å; M710-R735 HydrophobicContact CE-CG 4.14Å; M710-R735 HydrophobicContact SD-CB 4.02Å; M710-R735 VanDerWaalsContact SD-CD 3.55Å; M710-R735 HydrophobicContact SD-CG 3.75Å; C725-R735 CarbonylContact C-O 3.53Å; C725-R735 WeakPolarHBondContact CA-O 3.3Å; V726-R735 PolarHBondContact N-O 2.72Å; V726-R735 PolarHBondContact O-N 3.02Å; R735-F737 HydrophobicContact CB-CE2 3.68Å; R735-F737 HydrophobicContact CB-CZ 3.77Å
736	V	94.8	Very high	85	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.4	-178.1	-171.2	0	0	0	0	110.5	V7 G8 W21 L42 F45 A724 C725 I734	V7-V736 PolarHBondContact N-O 3.42Å; G8-V736 PolarHBondContact N-O 3.36Å; G8-V736 PolarHBondContact O-N 3.38Å; W21-V736 HydrophobicContact CH2-CG1 3.87Å; W21-V736 HydrophobicContact CZ2-CG1 3.79Å; L42-V736 HydrophobicContact CD1-CG1 3.33Å; F45-V736 HydrophobicContact CD2-CG2 3.41Å; F45-V736 VanDerWaalsContact CD2-CG2 3.41Å; F45-V736 HydrophobicContact CE2-CG2 3.56Å; F45-V736 HydrophobicContact CG-CG2 4.37Å; A724-V736 CarbonylContact O-C 3.5Å; A724-V736 WeakPolarHBondContact O-CA 3.31Å; A724-V736 WeakPolarHBondContact O-CG1 3.33Å; C725-V736 HydrophobicContact CB-CG2 4.27Å; I734-V736 HydrophobicContact CG2-CG2 3.89Å
737	F	93.9	Very high	82.2	Confident	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.2	-172.3	-57.1	-83.8	0	0	0	111.4	F4 R5 Q6 L663 L707 V723 A724 V726 R735 M739	F4-F737 HydrophobicContact CB-CB 4.28Å; R5-F737 CarbonylContact O-C 3.59Å; R5-F737 WeakPolarHBondContact O-CA 3.23Å; Q6-F737 HydrophobicContact CB-CD1 4.11Å; Q6-F737 HydrophobicContact CB-CE1 3.96Å; Q6-F737 HydrophobicContact CG-CE1 4.23Å; L663-F737 HydrophobicContact CD2-CD2 4.03Å; L663-F737 HydrophobicContact CD2-CE2 4.37Å; L663-F737 HydrophobicContact CD2-CG 4.44Å; L707-F737 HydrophobicContact CD2-CE1 4.35Å; L707-F737 HydrophobicContact CD2-CE2 4.04Å; L707-F737 HydrophobicContact CD2-CZ 3.57Å; V723-F737 WeakPolarHBondContact CA-O 3.48Å; A724-F737 PolarHBondContact N-O 2.91Å; A724-F737 PolarHBondContact O-N 2.97Å; V726-F737 HydrophobicContact CB-CE2 4.19Å; V726-F737 HydrophobicContact CG2-CD2 4.01Å; V726-F737 HydrophobicContact CG2-CE2 3.71Å; R735-F737 HydrophobicContact CB-CE2 3.68Å; R735-F737 HydrophobicContact CB-CZ 3.77Å; F737-M739 HydrophobicContact CB-SD 4.03Å
738	E	92.9	Very high	79.5	Confident	56 Å²	56	64 Å²	64	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.3	163.9	-179.3	172	-142.1	0	0	107.8	F4 R5 V7 D740 V741	F4-E738 CarbonylContact C-O 3.36Å; F4-E738 WeakPolarHBondContact CA-O 3.38Å; R5-E738 HydrophobicContact CB-CB 4.45Å; R5-E738 PolarHBondContact N-O 2.73Å; R5-E738 PolarHBondContact O-N 3.08Å; V7-E738 HydrophobicContact CG2-CB 3.77Å; E738-D740 VanDerWaalsContact CG-OD1 3.26Å; E738-D740 WeakPolarHBondContact CG-OD1 3.19Å; E738-V741 HydrophobicContact CG-CB 4.5Å; E738-V741 HydrophobicContact CG-CG2 4.09Å
739	M	89.9	Confident	76.6	Confident	9 Å²	9	68.8 Å²	68.8	4%	0.044	38%	0.377	C	S	.	.	S	Bend	trans	-93.4	-8.3	-162.4	-60.5	-64.9	-71.2	0	0	113.6	F4 Y642 L663 Q665 K722 A724 F737	F4-M739 HydrophobicContact CB-SD 3.91Å; F4-M739 HydrophobicContact CD1-CB 4.14Å; F4-M739 HydrophobicContact CD1-CE 3.5Å; F4-M739 WeakPolarHBondContact CD1-O 3.32Å; F4-M739 HydrophobicContact CD1-SD 3.69Å; F4-M739 HydrophobicContact CD2-CE 3.78Å; F4-M739 HydrophobicContact CD2-SD 4.04Å; F4-M739 HydrophobicContact CE1-CE 3.36Å; F4-M739 HydrophobicContact CE1-SD 4.2Å; F4-M739 HydrophobicContact CE2-CE 3.64Å; F4-M739 HydrophobicContact CG-CE 3.71Å; F4-M739 HydrophobicContact CG-SD 3.59Å; F4-M739 VanDerWaalsContact CG-SD 3.59Å; F4-M739 HydrophobicContact CZ-CE 3.41Å; F4-M739 VanDerWaalsContact CZ-CE 3.41Å; Y642-M739 HydrophobicContact CE2-CB 4.09Å; Y642-M739 HydrophobicContact CE2-CG 4.05Å; L663-M739 HydrophobicContact CD2-CE 4.31Å; L663-M739 HydrophobicContact CD2-SD 4.29Å; Q665-M739 HydrophobicContact CG-CE 3.77Å; K722-M739 PolarHBondContact O-N 3.48Å; A724-M739 HydrophobicContact CB-CE 4.38Å; A724-M739 HydrophobicContact CB-CG 3.89Å; A724-M739 HydrophobicContact CB-SD 3.54Å; A724-M739 VanDerWaalsContact CB-SD 3.54Å; F737-M739 HydrophobicContact CB-SD 4.03Å
740	D	85.5	Confident	73.9	Confident	81 Å²	81	75.3 Å²	75.3	43%	0.433	40%	0.398	S	S	.	.	S	Bend	trans	-107.3	-0.5	-179.2	65.1	-26	0	0	0	114.9	K722 E738	K722-D740 HydrophobicContact CB-CB 4.48Å; K722-D740 HydrophobicContact CD-CB 3.78Å; K722-D740 VanDerWaalsContact CD-CG 3.47Å; K722-D740 WeakPolarHBondContact CD-OD2 3.24Å; K722-D740 IonicContact NZ-OD2 3.84Å; K722-D740 PolarHBondContact NZ-OD2 3.11Å; E738-D740 VanDerWaalsContact CG-OD1 3.26Å; E738-D740 WeakPolarHBondContact CG-OD1 3.19Å
741	V	82.9	Confident	71.6	Confident	47 Å²	47	76.5 Å²	76.5	29%	0.285	41%	0.413	S	S	.	.	S	Bend	trans	-117.4	134.9	176.9	-170.2	0	0	0	0	108.8	F4 R5 E738	F4-V741 CarbonylContact C-O 3.52Å; F4-V741 VanDerWaalsContact CA-O 3.31Å; F4-V741 WeakPolarHBondContact CA-O 3.37Å; F4-V741 PolarHBondContact N-O 3.34Å; R5-V741 HydrophobicContact CB-CB 4.22Å; R5-V741 HydrophobicContact CB-CG1 4.49Å; R5-V741 PolarHBondContact N-O 2.81Å; E738-V741 HydrophobicContact CG-CB 4.5Å; E738-V741 HydrophobicContact CG-CG2 4.09Å
742	E	80.2	Confident	68.7	Low	121 Å²	121	84.4 Å²	84.4	57%	0.565	45%	0.449	S	S	*	.			trans	-75.1	149.3	170.8	-65.9	-177.1	-171.4	0	0	109.9	M1 E744	M1-E742 HydrophobicContact CB-CB 4.18Å; E742-E744 PolarHBondContact O-N 2.84Å
743	D	74.8	Confident	65.8	Low	26 Å²	26	87.4 Å²	87.4	14%	0.139	47%	0.473	C	S	.	.			trans	-69.6	122.2	-179.9	-140.8	17.8	0	0	0	110	P2 R5 Q6 R705 E745	P2-D743 HydrophobicContact CG-CB 3.75Å; P2-D743 PolarHBondContact O-N 3.08Å; R5-D743 WeakPolarHBondContact CA-OD1 2.96Å; R5-D743 WeakPolarHBondContact CG-OD1 3.18Å; Q6-D743 PolarHBondContact N-OD1 2.65Å; R705-D743 IonicContact CZ-OD2 2.91Å; R705-D743 VanDerWaalsContact NH1-CG 3.29Å; R705-D743 IonicContact NH1-OD1 2.93Å; R705-D743 IonicContact NH1-OD2 3.61Å; R705-D743 PolarHBondContact NH1-OD2 2.95Å; R705-D743 IonicContact NH2-OD2 3.58Å; R705-D743 PolarHBondContact NH2-OD2 3.24Å; D743-E745 PolarHBondContact O-N 3.03Å
744	E	71	Confident	62.9	Low	126 Å²	126	91.1 Å²	91.1	59%	0.589	51%	0.508	S	S	*	.			trans	-75	112	165.4	-65.5	179.2	174.7	0	0	106.2	E742 D746	E742-E744 PolarHBondContact O-N 2.84Å; E744-D746 VanDerWaalsContact C-N 3.29Å; E744-D746 PolarHBondContact O-N 3.42Å
745	E	50.2	Low	59.8	Low	142 Å²	142	96.9 Å²	96.9	66%	0.664	55%	0.548	S	S	*	.			trans	-62.8	90.9	174.1	-74	173.9	-171.1	0	0	109.1	D743 E747	D743-E745 PolarHBondContact O-N 3.03Å; E745-E747 PolarHBondContact O-N 3.28Å; E745-E747 VanDerWaalsContact O-N 3.1Å
746	D	40.7	Very low	56.8	Low	152 Å²	152	100.7 Å²	100.7	81%	0.813	58%	0.583	S	S	*	*			trans	-71.7	97.7	165.8	-106.6	-18.4	0	0	0	107.5	E744 G748	E744-D746 VanDerWaalsContact C-N 3.29Å; E744-D746 PolarHBondContact O-N 3.42Å; D746-G748 PolarHBondContact O-N 3.1Å
747	E	36.3	Very low	53.8	Low	200 Å²	200	108.7 Å²	108.7	94%	0.935	63%	0.626	S	S	*	*	S	Bend	trans	-61.6	87.1	161.8	-75.8	-165.7	164.5	0	0	109.2	E745	E745-E747 PolarHBondContact O-N 3.28Å; E745-E747 VanDerWaalsContact O-N 3.1Å
748	G	37.8	Very low	51	Low	70 Å²	70	117.1 Å²	117.1	72%	0.722	67%	0.665	S	S	*	*			trans	148.2	77.3	164.1	0	0	0	0	0	116.6	D746	D746-G748 PolarHBondContact O-N 3.1Å
749	A	31.7	Very low	48	Very low	104 Å²	104	122.4 Å²	122.4	86%	0.86	70%	0.696	S	S	*	*			trans	-147.5	55.7	157	0	0	0	0	0	112.1	S751	A749-S751 PolarHBondContact O-N 3.04Å
750	E	33	Very low	45.1	Very low	191 Å²	191	125.5 Å²	125.5	89%	0.893	73%	0.73	S	S	*	*			trans	-72	117.7	155.4	-77.6	-168	158.5	0	0	109.5
751	S	39.3	Very low	42.6	Very low	106 Å²	106	130 Å²	130	74%	0.741	75%	0.753	S	S	*	*			trans	66.8	93.2	154.8	69	0	0	0	0	119.4	A749	A749-S751 PolarHBondContact O-N 3.04Å
752	Q	30.4	Very low	40	Very low	194 Å²	194	136.1 Å²	136.1	91%	0.907	78%	0.778	S	S	*	*			trans	-135.7	76.3	140.2	-74.7	-165.1	-7	0	0	110.3
753	N	32.4	Very low	37.6	Very low	169 Å²	169	135.7 Å²	135.7	90%	0.904	78%	0.784	S	S	*	*			trans	-132.8	85.6	159	-92.5	-23.7	0	0	0	107.5
754	A	33.2	Very low	35.3	Very low	102 Å²	102	139.4 Å²	139.4	84%	0.843	81%	0.812	S	S	*	*			trans	-165	82	161.7	0	0	0	0	0	111.2
755	S	29.7	Very low	33.2	Very low	120 Å²	120	141.3 Å²	141.3	84%	0.839	82%	0.823	S	S	*	*			trans	-161.6	101.8	139	59.8	0	0	0	0	108.4
756	A	31.8	Very low	32	Very low	98 Å²	98	140.2 Å²	140.2	81%	0.81	83%	0.831	S	S	*	*			trans	-69.8	139.6	175.3	0	0	0	0	0	110.7	Q758	A756-Q758 PolarHBondContact O-N 2.91Å
757	D	33.2	Very low	31.3	Very low	167 Å²	167	136.1 Å²	136.1	89%	0.893	82%	0.824	S	S	*	*			trans	-51.1	126.9	156.7	-66.3	-54.9	0	0	0	110.4
758	Q	35	Very low	30.8	Very low	179 Å²	179	136.1 Å²	136.1	84%	0.836	82%	0.824	S	S	*	*			trans	-131.5	136.9	156	-96.2	-174.4	-1.9	0	0	109	A756	A756-Q758 PolarHBondContact O-N 2.91Å
759	D	29.9	Very low	30.1	Very low	167 Å²	167	136 Å²	136	89%	0.893	82%	0.824	S	S	*	*			trans	116.6	115.4	167.2	-65.2	-12.9	0	0	0	110.8
760	G	29.1	Very low	30.8	Very low	74 Å²	74	137 Å²	137	76%	0.763	82%	0.821	S	S	*	*			cis	149	118.1	13.9	0	0	0	0	0	106.4
761	L	32.3	Very low	30.4	Very low	176 Å²	176	133.1 Å²	133.1	92%	0.921	81%	0.81	S	S	*	*			trans	-72.2	132.5	167.2	-89.9	148.8	0	0	0	108.8
762	E	29.2	Very low	29.9	Very low	175 Å²	175	135.7 Å²	135.7	82%	0.818	81%	0.81	S	S	*	*				177.5	119.2	127.4	-99	179.9	-167.3	0	0	114.6
763	T	27.9	Very low	29.7	Very low	112 Å²	112	133.7 Å²	133.7	69%	0.687	80%	0.801	S	S	*	*			trans	47.6	119.5	131.5	57.2	0	0	0	0	124.1
764	S	26.9	Very low	29.5	Very low	103 Å²	103	130.2 Å²	130.2	72%	0.72	79%	0.79	S	S	*	*				71.9	128.6	121.3	77.8	0	0	0	0	123.4
765	M	26.8	Very low	29.3	Very low	167 Å²	167	132.3 Å²	132.3	82%	0.823	79%	0.786	S	S	*	*			trans	90.9	126.9	134.8	-73.2	-81.6	-73.5	0	0	121.8
766	S	26	Very low	29.2	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	78%	0.781	S	S	*	*			trans	64.7	136.2	156.6	65.4	0	0	0	0	116.5
767	G	25	Very low	29.1	Very low	65 Å²	65	134 Å²	134	67%	0.67	78%	0.775	S	S	*	*			cis	144.8	153.1	20.6	0	0	0	0	0	106.1
768	Q	26.8	Very low	29	Very low	200 Å²	200	135.4 Å²	135.4	94%	0.935	78%	0.776	S	S	*	*			trans	83.4	107.5	169.4	-57.4	178.5	-13.7	0	0	117.5
769	G	22.6	Very low	28.6	Very low	69 Å²	69	130 Å²	130	71%	0.711	77%	0.769	S	S	*	*			trans	-72.8	-168.2	134.9	0	0	0	0	0	109.9
770	P	45.5	Very low	28.7	Very low	123 Å²	123	131.3 Å²	131.3	80%	0.799	77%	0.769	S	S	*	*			cis	-142.1	-152.8	15.1	34.7	-10	0	0	0	113.3
771	V	26.5	Very low	28.7	Very low	111 Å²	111	132.5 Å²	132.5	67%	0.673	77%	0.766	S	S	*	*			trans	97.3	103.4	160.2	-171.8	0	0	0	0	113.5
772	E	27.2	Very low	28.6	Very low	159 Å²	159	134.3 Å²	134.3	74%	0.743	76%	0.761	S	S	*	*				62.8	137.7	85.7	-78.1	177.7	173.7	0	0	111
773	E	27.3	Very low	28.7	Very low	153 Å²	153	132.1 Å²	132.1	72%	0.715	75%	0.751	S	S	*	*			cis	-175.8	158.9	23.8	-135.7	-179.8	177.7	0	0	108.1
774	S	27.6	Very low	28.9	Very low	95 Å²	95	134 Å²	134	66%	0.664	75%	0.751	S	S	*	*			trans	76	140.9	134.4	82.3	0	0	0	0	117.4
775	L	28.6	Very low	29	Very low	146 Å²	146	137 Å²	137	76%	0.764	75%	0.754	S	S	*	*			cis	-166.8	160.6	17.7	-95.7	140.3	0	0	0	105.6
776	E	27.8	Very low	29	Very low	158 Å²	158	132.8 Å²	132.8	74%	0.738	75%	0.753	S	S	*	*				-179.2	126.7	55.6	-129.6	156.2	-137.2	0	0	106.7
777	S	30.5	Very low	29.1	Very low	97 Å²	97	134.3 Å²	134.3	68%	0.678	75%	0.752	S	S	*	*				75.5	144.8	107.3	72.4	0	0	0	0	114.7
778	E	30.6	Very low	29.4	Very low	196 Å²	196	136.9 Å²	136.9	92%	0.916	75%	0.754	S	S	*	*			cis	-173.3	156.8	-3.8	-102.9	175	179.4	0	0	103.1
779	G	26.9	Very low	29.5	Very low	66 Å²	66	135.2 Å²	135.2	68%	0.68	75%	0.745	S	S	*	*			cis	-178.9	173	9.5	0	0	0	0	0	112.1
780	E	31.6	Very low	29.8	Very low	193 Å²	193	140 Å²	140	90%	0.902	75%	0.748	S	S	*	*			trans	55.5	137.2	143	-64.6	-167.5	162.4	0	0	120.9
781	S	29.9	Very low	29.1	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	75%	0.753	S	S	*	*			cis	-173.6	151	22.8	37.7	0	0	0	0	112.2
782	R	30.3	Very low	29.2	Very low	214 Å²	214	143.4 Å²	143.4	81%	0.808	75%	0.754	S	S	*	*			trans	56	153.5	137.7	-74.1	-172.6	167.7	143.7	4	121.9
783	E	31.1	Very low	29.3	Very low	129 Å²	129	144 Å²	144	60%	0.603	76%	0.756	S	S	*	*			cis	-179.5	144.1	-17	-112.6	167.8	-176.9	0	0	105.2
784	Q	30.8	Very low	29.5	Very low	150 Å²	150	144.1 Å²	144.1	70%	0.701	76%	0.757	S	S	*	*			trans	54.3	157.5	138.3	-67.3	175.8	-12	0	0	120.9
785	E	29.9	Very low	29.6	Very low	168 Å²	168	146 Å²	146	79%	0.785	76%	0.759	S	S	*	*			cis	-176.1	164.7	3.3	-114.5	177.4	-178.3	0	0	107.6
786	G	27.3	Very low	29.8	Very low	78 Å²	78	146.4 Å²	146.4	80%	0.804	76%	0.761	S	S	*	*			trans	83.4	145.2	156	0	0	0	0	0	117.4
787	D	27.4	Very low	30	Very low	150 Å²	150	147.7 Å²	147.7	80%	0.802	77%	0.767	S	S	*	*			cis	-167.5	125.7	18.2	-141	7.4	0	0	0	106.8
788	V	30.8	Very low	30.1	Very low	119 Å²	119	147.8 Å²	147.8	72%	0.721	77%	0.768	S	S	*	*				66.7	109.8	97.8	-179.6	0	0	0	0	118.1
789	F	29.2	Very low	30.5	Very low	166 Å²	166	148.1 Å²	148.1	73%	0.728	77%	0.769	S	S	*	*			trans	59.5	128.5	136.4	-86.7	-104.1	0	0	0	125.7
790	Q	29.6	Very low	31.3	Very low	168 Å²	168	153.8 Å²	153.8	79%	0.785	78%	0.778	S	S	*	*			trans	66.6	118.1	135.4	-89.6	173.8	-6.7	0	0	121.9
791	K	29.9	Very low	31.9	Very low	210 Å²	210	149 Å²	149	91%	0.913	77%	0.772	S	S	*	*				-152.4	148.4	128.2	-112.3	175.7	-176	180	0	112.1
792	S	28.8	Very low	32.3	Very low	97 Å²	97	155.9 Å²	155.9	68%	0.678	80%	0.799	S	S	*	*			trans	-98.1	178	-163.1	35.8	0	0	0	0	114.4
793	E	29.8	Very low	32.4	Very low	170 Å²	170	153 Å²	153	79%	0.794	80%	0.799	S	S	*	*			trans	84.4	145.3	164.2	-59.4	174.2	168.1	0	0	117.1
794	E	30.3	Very low	32.5	Very low	156 Å²	156	154.3 Å²	154.3	73%	0.729	81%	0.809	S	S	*	*			cis	-167.4	148.8	-15.1	-110.2	-173.4	160.8	0	0	107.2
795	L	29.9	Very low	32.6	Very low	134 Å²	134	154.5 Å²	154.5	70%	0.702	82%	0.815	S	S	*	*			trans	46.1	113.5	143.5	-76.7	139.7	0	0	0	123.9
796	L	33.7	Very low	32.7	Very low	155 Å²	155	153.7 Å²	153.7	81%	0.812	82%	0.817	S	S	*	*				18.6	132.5	120.6	-74.1	149.3	0	0	0	120.8
797	Q	31.3	Very low	33.1	Very low	185 Å²	185	158.4 Å²	158.4	86%	0.864	82%	0.818	S	S	*	*			trans	-173.6	108.2	130.7	-102.5	174.8	14.2	0	0	109.3
798	S	34	Very low	33.5	Very low	100 Å²	100	159 Å²	159	70%	0.699	82%	0.819	S	S	*	*				67.9	117.1	96.7	66.6	0	0	0	0	115.8
799	Q	38.8	Very low	33.7	Very low	203 Å²	203	161.9 Å²	161.9	95%	0.949	83%	0.826	S	S	*	*			trans	-138.4	118.3	152.9	-126.7	178.7	12.7	0	0	109.8
800	E	42.6	Very low	34	Very low	184 Å²	184	161.5 Å²	161.5	86%	0.86	83%	0.834	S	S	*	*			trans	-89.4	156.9	176.6	-79.7	178.5	137.4	0	0	112.2
801	A	44.1	Very low	34.4	Very low	93 Å²	93	161 Å²	161	77%	0.769	84%	0.838	S	S	*	*			trans	67	111.4	138.8	0	0	0	0	0	120.8
802	L	39.4	Very low	34.8	Very low	245 Å²	245	156.5 Å²	156.5	100%	1.283	83%	0.831	S	S	*	*				-155.1	0	102.4	-111.1	157.4	0	0	0	111.1

Retrieved 802 of 802 residues in 2059.9 ms (Link to these results)

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