A0A087YIM7_POEFO Loading...

Solute carrier family 8 member 2b

AlphaFold DB , UniProt , Accession A0A087YIM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 889 aa.

						>A0A087YIM7_POEFO|A0A087YIM7
KCNKPTVCTEGILLPVWKPEQPGLGYQVARAVVYFVSLMYMFLGVSIIADRFMASIEVITSQEKEVTITMPNGETSLATVRIWNETVSNLTLMALGSSAPEILLSVIEVCGHNFEAGQLGPGTIVGSAAFNMFVIIGICVWVIPNGQSRKIKHLRVFFITAFWSIFAYIWLYLILAVMSPSVVEVWEALVTLLFFPICVLLAWIADRRLLFYKYMGKRYRADKRHGIVVETEGDLTPTKGGMEMIIDGKLPQGFLCRFLQWFLVQRPHRPGGEQSREREVIRILKELKQKYPDKELDQLVELANYYALLHQQKSRAFYRIQATRMMIGAGNVLKRHVADNARRAVVTDEEEAEEDDLAVCSHISFETAHSQCMENCGVLTLAVVCQGGLGENTFYVDYRTEDGSANAGSDYDYSEGTLVFKPGDTQKEIKVGIIDDDIFEEDEHFFVRLLNLRIGDAEGMFESDEAGSMPKARLVEPLVATVTILDDDHAGIFTFSERLVRVSESVGTMEVTVVRNSGARGTVVLPYHTESGSAMAGEDYEEARGELEFTNDQTTQTLQVRIIDDEEYEKHENFFIVLEEPRWLKRGISVGFVLFQHEAAEGQLSAEEEEARRIAEMGKPILGEHSRLEVVIEESYEFKSTVDKLIKKTNLALVIGTHSWREQFVEAVTVSAGDGDDEEEGREERLPSCYDYVMHFLTVFWKVLFACVPPTEYWNGWACFIVSISVIGFLTAIIGDLASHFGCTVGLQDTVTAVVFVALGTSIPDTFASKVAAIQDQHADASVGNVTGSNAVNVFLGIGVAWSVAAIYWAIKGKQFKVDPGSLAFSVTLFTIFAFICMAVLLFRRRPSIGGELGGPRASRLLTTMLFLGLWLLYIFFSSLEAYCHIKGF
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	55.2	Low	69.9	Low	172 Å²	172	95.2 Å²	95.2	75%	0.748	52%	0.52	S	S	*	.				0	-35.7	0	-78.1	178	175.7	177.3	0	111.9	N3 K4 D819	K1-N3 VanDerWaalsContact C-N 3.33Å; K1-N3 PolarHBondContact O-N 2.97Å; K1-N3 VanDerWaalsContact O-N 3.14Å; K1-K4 PolarHBondContact O-N 3.38Å; K1-D819 IonicContact NZ-OD2 2.63Å; K1-D819 PolarHBondContact NZ-OD2 2.7Å
2	C	58.3	Low	71.2	Confident	60 Å²	60	92.7 Å²	92.7	41%	0.405	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.8	-173.8	-35.5	0	0	0	0	118.7	C884	C2-C884 HydrophobicContact CB-CB 3.55Å; C2-C884 WeakPolarHBondContact CB-SG 3.21Å; C2-C884 WeakPolarHBondContact SG-CB 3.18Å; C2-C884 CovalentContact SG-SG 2.01Å; C2-C884 PolarHBondContact SG-SG 3.1Å
3	N	52.9	Low	72.5	Confident	166 Å²	166	92.2 Å²	92.2	89%	0.888	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	12.4	179.1	-85.3	-4.5	0	0	0	113.3	K1	K1-N3 VanDerWaalsContact C-N 3.33Å; K1-N3 PolarHBondContact O-N 2.97Å; K1-N3 VanDerWaalsContact O-N 3.14Å
4	K	60.9	Low	73.7	Confident	168 Å²	168	89.6 Å²	89.6	73%	0.73	49%	0.486	S	S	*	.	S	Bend	trans	-81.5	126.6	173.5	-72.1	-171.2	176.1	-173.4	0	108.4	K1 T6	K1-K4 PolarHBondContact O-N 3.38Å; K4-T6 PolarHBondContact O-N 3.11Å
5	P	64.2	Low	74.6	Confident	108 Å²	108	89.7 Å²	89.7	70%	0.701	49%	0.493	S	S	*	.			trans	-58.6	138.2	171.3	24.9	-31.8	0	0	0	108.9	V7	P5-V7 PolarHBondContact O-N 3.05Å; P5-V7 VanDerWaalsContact O-N 3.16Å
6	T	72.4	Confident	75.3	Confident	56 Å²	56	84.9 Å²	84.9	34%	0.344	47%	0.467	S	S	.	.			trans	-65.8	110.7	170.6	42	0	0	0	0	107.7	K4 Q748	K4-T6 PolarHBondContact O-N 3.11Å; T6-Q748 HydrophobicContact CG2-CG 4.28Å
7	V	76.4	Confident	75.9	Confident	91 Å²	91	86.9 Å²	86.9	55%	0.552	47%	0.466	S	S	*	.			trans	-97.9	132.1	178.8	-178.3	0	0	0	0	107.8	P5 T9	P5-V7 PolarHBondContact O-N 3.05Å; P5-V7 VanDerWaalsContact O-N 3.16Å; V7-T9 PolarHBondContact O-N 3.03Å
8	C	81.8	Confident	76.2	Confident	17 Å²	17	89.2 Å²	89.2	12%	0.115	47%	0.471	C	S	.	.			trans	-69.6	123.6	174.9	-61.6	0	0	0	0	109.9	V16 C743	C8-V16 HydrophobicContact CB-CG1 3.63Å; C8-V16 HydrophobicContact CB-CG2 4.5Å; C8-C743 VanDerWaalsContact CA-SG 3.54Å; C8-C743 HydrophobicContact CB-CB 3.93Å; C8-C743 WeakPolarHBondContact CB-SG 3.44Å; C8-C743 WeakPolarHBondContact SG-CB 3.48Å; C8-C743 CovalentContact SG-SG 2.03Å; C8-C743 PolarHBondContact SG-SG 3.27Å
9	T	81	Confident	76.4	Confident	86 Å²	86	88.8 Å²	88.8	53%	0.528	48%	0.475	S	S	.	.			trans	-104.4	153.4	173	50.4	0	0	0	0	110.4	V7 G11 V16 H740	V7-T9 PolarHBondContact O-N 3.03Å; T9-G11 PolarHBondContact O-N 3.49Å; T9-V16 WeakPolarHBondContact O-CG2 3.42Å; T9-H740 PolarHBondContact O-NE2 3.06Å
10	E	83.9	Confident	76.1	Confident	99 Å²	99	89.5 Å²	89.5	46%	0.463	47%	0.474	S	S	.	.			trans	-57.8	133.1	173.4	-60	-74.7	175.4	0	0	110	P15 V16 K18	E10-P15 WeakPolarHBondContact OE2-CA 3.41Å; E10-V16 VanDerWaalsContact CA-CG2 3.48Å; E10-V16 HydrophobicContact CB-CG2 4.39Å; E10-V16 HydrophobicContact CG-CG2 4.22Å; E10-V16 PolarHBondContact OE2-N 3.31Å; E10-K18 IonicContact OE1-NZ 3.27Å; E10-K18 PolarHBondContact OE1-NZ 3.49Å
11	G	82.4	Confident	75.8	Confident	24 Å²	24	94.2 Å²	94.2	25%	0.247	49%	0.494	C	S	.	.			trans	-73.4	174.8	175.9	0	0	0	0	0	112.3	T9 L14 D736	T9-G11 PolarHBondContact O-N 3.49Å; G11-L14 WeakPolarHBondContact CA-O 3.24Å; G11-L14 PolarHBondContact N-O 2.98Å; G11-L14 VanDerWaalsContact N-O 3.16Å; G11-D736 WeakPolarHBondContact CA-OD1 3.48Å
12	I	85.4	Confident	76.9	Confident	65 Å²	65	87.2 Å²	87.2	33%	0.333	47%	0.466	S	S	.	.	S	Bend	trans	-68.3	-39.3	179.1	-60.8	171.6	0	0	0	110.5	I107 D736	I12-I107 HydrophobicContact CD1-CG2 4.01Å; I12-D736 PolarHBondContact N-OD1 3.5Å; I12-D736 PolarHBondContact N-OD2 3.46Å
13	L	88	Confident	78	Confident	86 Å²	86	86.5 Å²	86.5	45%	0.45	47%	0.469	S	S	.	.	S	Bend	trans	-118.4	-42	-178.8	-64.8	177	0	0	0	112.6	F729 A732 I733 D736	L13-F729 HydrophobicContact CD1-CD2 4.2Å; L13-F729 HydrophobicContact CD1-CE2 4.02Å; L13-A732 HydrophobicContact CD1-CB 3.48Å; L13-A732 VanDerWaalsContact CD1-CB 3.48Å; L13-A732 HydrophobicContact CG-CB 4.27Å; L13-I733 HydrophobicContact CD1-CG1 3.9Å; L13-D736 WeakPolarHBondContact CA-OD2 3.36Å; L13-D736 WeakPolarHBondContact CB-OD2 3.46Å; L13-D736 PolarHBondContact N-OD2 2.9Å
14	L	89.4	Confident	79.6	Confident	56 Å²	56	85 Å²	85	29%	0.293	46%	0.46	S	S	.	.	S	Bend	trans	-95.4	134.8	-174.7	-65.4	-179	0	0	0	111.9	G11 I733 D736 L737 H740	G11-L14 WeakPolarHBondContact CA-O 3.24Å; G11-L14 PolarHBondContact N-O 2.98Å; G11-L14 VanDerWaalsContact N-O 3.16Å; L14-I733 HydrophobicContact CD1-CG2 4.05Å; L14-D736 HydrophobicContact CB-CB 4.03Å; L14-D736 HydrophobicContact CD1-CB 4.22Å; L14-D736 HydrophobicContact CG-CB 4.29Å; L14-D736 PolarHBondContact N-OD2 3.1Å; L14-L737 HydrophobicContact CD1-CD2 3.71Å; L14-L737 HydrophobicContact CD1-CG 3.85Å; L14-H740 PolarHBondContact O-CE1 3.32Å
15	P	87.3	Confident	80.9	Confident	92 Å²	92	79.7 Å²	79.7	60%	0.597	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-75.3	153.7	173.7	31	-34.4	0	0	0	112.2	E10 H740	E10-P15 WeakPolarHBondContact OE2-CA 3.41Å; P15-H740 PolarHBondContact O-CE1 3.29Å
16	V	84.8	Confident	81.9	Confident	13 Å²	13	82.8 Å²	82.8	8%	0.079	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-67.4	135.9	175.1	-173.3	0	0	0	0	110.9	C8 T9 E10 K18	C8-V16 HydrophobicContact CB-CG1 3.63Å; C8-V16 HydrophobicContact CB-CG2 4.5Å; T9-V16 WeakPolarHBondContact O-CG2 3.42Å; E10-V16 VanDerWaalsContact CA-CG2 3.48Å; E10-V16 HydrophobicContact CB-CG2 4.39Å; E10-V16 HydrophobicContact CG-CG2 4.22Å; E10-V16 PolarHBondContact OE2-N 3.31Å; V16-K18 PolarHBondContact O-N 2.94Å; V16-K18 VanDerWaalsContact O-N 3.11Å
17	W	85.9	Confident	82.6	Confident	118 Å²	118	83.5 Å²	83.5	45%	0.447	45%	0.452	S	S	.	.			trans	-74.6	102.2	173.7	-167.5	-11.9	0	0	0	111.8	R30 V33 Y34	W17-R30 HydrophobicContact CD2-CG 4Å; W17-R30 HydrophobicContact CE3-CB 4.49Å; W17-R30 HydrophobicContact CE3-CG 3.87Å; W17-R30 HydrophobicContact CH2-CG 4.2Å; W17-R30 HydrophobicContact CZ2-CG 4.32Å; W17-R30 HydrophobicContact CZ3-CG 3.97Å; W17-R30 PolarHBondContact O-NH1 2.96Å; W17-V33 HydrophobicContact CZ3-CB 4.23Å; W17-V33 HydrophobicContact CZ3-CG1 3.95Å; W17-Y34 WeakPolarHBondContact CB-OH 3.41Å; W17-Y34 HydrophobicContact CE3-CE2 4.25Å
18	K	82.3	Confident	83.2	Confident	128 Å²	128	83 Å²	83	56%	0.557	45%	0.449	S	S	*	.	S	Bend	trans	-80.6	152.1	177.9	-66.4	178	-175.1	166.2	0	112.9	E10 V16 R30	E10-K18 IonicContact OE1-NZ 3.27Å; E10-K18 PolarHBondContact OE1-NZ 3.49Å; V16-K18 PolarHBondContact O-N 2.94Å; V16-K18 VanDerWaalsContact O-N 3.11Å; K18-R30 PolarHBondContact O-NH2 3.38Å
19	P	80	Confident	83.6	Confident	83 Å²	83	84.7 Å²	84.7	54%	0.539	46%	0.464	S	S	.	.			cis	-73.4	151.8	-6	30.4	-37.4	0	0	0	113.1	Q21 R30	P19-Q21 VanDerWaalsContact C-N 3.31Å; P19-Q21 PolarHBondContact O-N 3.35Å; P19-R30 PolarHBondContact O-NH1 2.85Å
20	E	69.3	Low	84.1	Confident	101 Å²	101	81.7 Å²	81.7	47%	0.472	44%	0.443	S	S	.	.	S	Bend	trans	-67.9	-24.7	-177.3	-71.4	172.2	-160.5	0	0	114.3	P22	E20-P22 VanDerWaalsContact C-CD 3.43Å; E20-P22 VanDerWaalsContact O-CD 3.29Å; E20-P22 WeakPolarHBondContact O-CD 3.29Å
21	Q	69.8	Low	84.4	Confident	189 Å²	189	77.7 Å²	77.7	88%	0.883	43%	0.427	S	S	*	.	S	Bend	trans	-119.2	75.5	176.4	-68.6	-177.4	-5.6	0	0	110.9	P19	P19-Q21 VanDerWaalsContact C-N 3.31Å; P19-Q21 PolarHBondContact O-N 3.35Å
22	P	78.6	Confident	84.9	Confident	25 Å²	25	80.5 Å²	80.5	16%	0.162	44%	0.439	C	S	.	.			trans	-76.9	162.2	174.3	35.9	-36.7	0	0	0	110.8	E20 Q27	E20-P22 VanDerWaalsContact C-CD 3.43Å; E20-P22 VanDerWaalsContact O-CD 3.29Å; E20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-Q27 HydrophobicContact CG-CB 4.15Å
23	G	82.4	Confident	85.3	Confident	46 Å²	46	80.6 Å²	80.6	47%	0.474	44%	0.442	S	S	.	.			trans	-60.5	155.2	171.5	0	0	0	0	0	112.1	G25 Y26 Q27	G23-G25 VanDerWaalsContact C-N 3.28Å; G23-G25 PolarHBondContact O-N 3.16Å; G23-G25 VanDerWaalsContact O-N 3.1Å; G23-Y26 WeakPolarHBondContact O-CA 3.03Å; G23-Y26 WeakPolarHBondContact O-CB 3.03Å; G23-Y26 PolarHBondContact O-N 3.4Å; G23-Q27 PolarHBondContact O-N 3.38Å
24	L	85.1	Confident	85.5	Confident	133 Å²	133	77.4 Å²	77.4	70%	0.696	42%	0.424	S	S	*	.	H	α-helix	trans	-51.7	-40.5	-170.2	-161.6	151.9	0	0	0	113.9	Y26 Q27 V28	L24-Y26 PolarHBondContact O-N 2.73Å; L24-Q27 WeakPolarHBondContact O-CB 3.11Å; L24-Q27 PolarHBondContact O-N 2.03Å; L24-V28 HydrophobicContact CD2-CG2 4.11Å; L24-V28 WeakPolarHBondContact O-CG2 3.14Å; L24-V28 PolarHBondContact O-N 3.16Å
25	G	87.8	Confident	85.6	Confident	57 Å²	57	78.4 Å²	78.4	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-63.7	-40.4	176.4	0	0	0	0	0	113.8	G23 A29	G23-G25 VanDerWaalsContact C-N 3.28Å; G23-G25 PolarHBondContact O-N 3.16Å; G23-G25 VanDerWaalsContact O-N 3.1Å; G25-A29 WeakPolarHBondContact O-CB 3.11Å; G25-A29 PolarHBondContact O-N 3.43Å
26	Y	86.4	Confident	85.9	Confident	173 Å²	173	78.1 Å²	78.1	68%	0.678	42%	0.423	S	S	*	.	H	α-helix	trans	-71.6	-35	175.6	-72	-78	0	0	0	111.8	G23 L24 A29 R30	G23-Y26 WeakPolarHBondContact O-CA 3.03Å; G23-Y26 WeakPolarHBondContact O-CB 3.03Å; G23-Y26 PolarHBondContact O-N 3.4Å; L24-Y26 PolarHBondContact O-N 2.73Å; Y26-A29 PolarHBondContact O-N 2.85Å; Y26-R30 WeakPolarHBondContact O-CB 3.42Å; Y26-R30 VanDerWaalsContact O-CG 3.24Å; Y26-R30 WeakPolarHBondContact O-CG 3.35Å; Y26-R30 PolarHBondContact O-N 3.35Å
27	Q	87	Confident	86.3	Confident	71 Å²	71	79.6 Å²	79.6	33%	0.332	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-47	173.6	-171.4	-176.5	0.5	0	0	111.1	P22 G23 L24 R30 A31 T744	P22-Q27 HydrophobicContact CG-CB 4.15Å; G23-Q27 PolarHBondContact O-N 3.38Å; L24-Q27 WeakPolarHBondContact O-CB 3.11Å; L24-Q27 PolarHBondContact O-N 2.03Å; Q27-R30 PolarHBondContact O-N 2.98Å; Q27-A31 WeakPolarHBondContact O-CB 3.43Å; Q27-A31 PolarHBondContact O-N 3.36Å; Q27-T744 HydrophobicContact CG-CG2 4.05Å; Q27-T744 WeakPolarHBondContact CG-O 3.42Å; Q27-T744 PolarHBondContact NE2-O 3.46Å
28	V	89.6	Confident	86.5	Confident	82 Å²	82	74 Å²	74	50%	0.497	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-46.6	176.5	173.1	0	0	0	0	111	L24 R30 A31 V32	L24-V28 HydrophobicContact CD2-CG2 4.11Å; L24-V28 WeakPolarHBondContact O-CG2 3.14Å; L24-V28 PolarHBondContact O-N 3.16Å; V28-R30 VanDerWaalsContact C-N 3.31Å; V28-R30 PolarHBondContact O-N 2.95Å; V28-A31 PolarHBondContact O-N 3.24Å; V28-V32 WeakPolarHBondContact O-CG2 3.35Å; V28-V32 PolarHBondContact O-N 3.37Å
29	A	90.1	Very high	86.9	Confident	52 Å²	52	70.9 Å²	70.9	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-58.5	-43.2	177.7	0	0	0	0	0	111.9	G25 Y26 V32 V33	G25-A29 WeakPolarHBondContact O-CB 3.11Å; G25-A29 PolarHBondContact O-N 3.43Å; Y26-A29 PolarHBondContact O-N 2.85Å; A29-V32 PolarHBondContact O-N 3.17Å; A29-V33 WeakPolarHBondContact O-CG2 3.29Å; A29-V33 PolarHBondContact O-N 2.71Å
30	R	90.4	Very high	87.5	Confident	23 Å²	23	70.8 Å²	70.8	9%	0.087	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-44.5	175.7	-74.3	176.1	-178.3	-170.9	-0.4	112.7	W17 K18 P19 Y26 Q27 V28 V32 V33 Y34 T744	W17-R30 HydrophobicContact CD2-CG 4Å; W17-R30 HydrophobicContact CE3-CB 4.49Å; W17-R30 HydrophobicContact CE3-CG 3.87Å; W17-R30 HydrophobicContact CH2-CG 4.2Å; W17-R30 HydrophobicContact CZ2-CG 4.32Å; W17-R30 HydrophobicContact CZ3-CG 3.97Å; W17-R30 PolarHBondContact O-NH1 2.96Å; K18-R30 PolarHBondContact O-NH2 3.38Å; P19-R30 PolarHBondContact O-NH1 2.85Å; Y26-R30 WeakPolarHBondContact O-CB 3.42Å; Y26-R30 VanDerWaalsContact O-CG 3.24Å; Y26-R30 WeakPolarHBondContact O-CG 3.35Å; Y26-R30 PolarHBondContact O-N 3.35Å; Q27-R30 PolarHBondContact O-N 2.98Å; V28-R30 VanDerWaalsContact C-N 3.31Å; V28-R30 PolarHBondContact O-N 2.95Å; R30-V32 VanDerWaalsContact C-N 3.27Å; R30-V32 PolarHBondContact O-N 2.9Å; R30-V33 PolarHBondContact O-N 3.21Å; R30-V33 VanDerWaalsContact O-N 3.17Å; R30-Y34 HydrophobicContact CB-CD2 4.48Å; R30-Y34 HydrophobicContact CB-CE2 4.49Å; R30-Y34 VanDerWaalsContact O-CD2 3.26Å; R30-Y34 WeakPolarHBondContact O-CD2 3.36Å; R30-Y34 PolarHBondContact O-N 3.36Å; R30-T744 HydrophobicContact CB-CG2 4.02Å
31	A	90.1	Very high	88.6	Confident	15 Å²	15	66.9 Å²	66.9	12%	0.124	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-41.4	176.8	0	0	0	0	0	111.2	Q27 V28 F35 F741 T744 V745	Q27-A31 WeakPolarHBondContact O-CB 3.43Å; Q27-A31 PolarHBondContact O-N 3.36Å; V28-A31 PolarHBondContact O-N 3.24Å; A31-F35 WeakPolarHBondContact O-CB 3.34Å; A31-F35 PolarHBondContact O-N 3.38Å; A31-F741 HydrophobicContact CB-CE2 4.45Å; A31-T744 HydrophobicContact CB-CG2 4.25Å; A31-V745 HydrophobicContact CB-CG2 3.81Å
32	V	92.4	Very high	89.6	Confident	82 Å²	82	58.2 Å²	58.2	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-45.5	174.7	173.3	0	0	0	0	111.2	V28 A29 R30 F35 V36	V28-V32 WeakPolarHBondContact O-CG2 3.35Å; V28-V32 PolarHBondContact O-N 3.37Å; A29-V32 PolarHBondContact O-N 3.17Å; R30-V32 VanDerWaalsContact C-N 3.27Å; R30-V32 PolarHBondContact O-N 2.9Å; V32-F35 PolarHBondContact O-N 2.78Å; V32-V36 HydrophobicContact CG1-CG2 4.19Å; V32-V36 WeakPolarHBondContact O-CB 3.47Å; V32-V36 VanDerWaalsContact O-CG2 3.28Å; V32-V36 WeakPolarHBondContact O-CG2 3.39Å; V32-V36 PolarHBondContact O-N 3.25Å
33	V	93.8	Very high	90	Very high	67 Å²	67	58.9 Å²	58.9	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-47.1	178	171.9	0	0	0	0	111.2	W17 A29 R30 F35 S37	W17-V33 HydrophobicContact CZ3-CB 4.23Å; W17-V33 HydrophobicContact CZ3-CG1 3.95Å; A29-V33 WeakPolarHBondContact O-CG2 3.29Å; A29-V33 PolarHBondContact O-N 2.71Å; R30-V33 PolarHBondContact O-N 3.21Å; R30-V33 VanDerWaalsContact O-N 3.17Å; V33-F35 PolarHBondContact O-N 3.03Å; V33-S37 VanDerWaalsContact O-CB 3.24Å; V33-S37 WeakPolarHBondContact O-CB 3.26Å; V33-S37 PolarHBondContact O-N 3.28Å; V33-S37 PolarHBondContact O-OG 3.01Å
34	Y	93.1	Very high	90.4	Very high	19 Å²	19	56.7 Å²	56.7	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-43	177.1	-76.5	-55.3	0	0	0	111.9	W17 R30 S37 L38 L737 H740	W17-Y34 WeakPolarHBondContact CB-OH 3.41Å; W17-Y34 HydrophobicContact CE3-CE2 4.25Å; R30-Y34 HydrophobicContact CB-CD2 4.48Å; R30-Y34 HydrophobicContact CB-CE2 4.49Å; R30-Y34 VanDerWaalsContact O-CD2 3.26Å; R30-Y34 WeakPolarHBondContact O-CD2 3.36Å; R30-Y34 PolarHBondContact O-N 3.36Å; Y34-S37 PolarHBondContact O-N 2.89Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 2.9Å; Y34-L737 HydrophobicContact CD1-CD2 3.82Å; Y34-L737 HydrophobicContact CE1-CD2 4.22Å; Y34-H740 HydrophobicContact CD1-CB 4.16Å; Y34-H740 HydrophobicContact CE1-CB 3.71Å; Y34-H740 HydrophobicContact CE2-CB 4.09Å
35	F	91.6	Very high	90.6	Very high	77 Å²	77	50.6 Å²	50.6	34%	0.338	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-47.1	178.5	-176.8	-99.8	0	0	0	112.4	A31 V32 V33 S37 L38 M39 F741 F756	A31-F35 WeakPolarHBondContact O-CB 3.34Å; A31-F35 PolarHBondContact O-N 3.38Å; V32-F35 PolarHBondContact O-N 2.78Å; V33-F35 PolarHBondContact O-N 3.03Å; F35-S37 VanDerWaalsContact C-N 3.34Å; F35-S37 PolarHBondContact O-N 3.49Å; F35-L38 WeakPolarHBondContact O-CB 3.38Å; F35-L38 PolarHBondContact O-N 3.48Å; F35-M39 HydrophobicContact CD1-CG 4.35Å; F35-M39 HydrophobicContact CE1-CG 3.95Å; F35-M39 HydrophobicContact CE2-CE 4.2Å; F35-M39 HydrophobicContact CE2-CG 4.5Å; F35-M39 HydrophobicContact CZ-CE 4.43Å; F35-M39 HydrophobicContact CZ-CG 4.03Å; F35-M39 HydrophobicContact CZ-SD 4.24Å; F35-M39 WeakPolarHBondContact O-CG 3.48Å; F35-M39 PolarHBondContact O-N 2.85Å; F35-F741 HydrophobicContact CB-CD2 4.12Å; F35-F741 HydrophobicContact CB-CE2 3.81Å; F35-F741 HydrophobicContact CD2-CE2 4.12Å; F35-F741 HydrophobicContact CD2-CZ 4.01Å; F35-F741 HydrophobicContact CG-CE2 4.39Å; F35-F756 HydrophobicContact CE2-CD1 4.02Å; F35-F756 HydrophobicContact CE2-CE1 4.05Å
36	V	92.5	Very high	90.5	Very high	87 Å²	87	48.3 Å²	48.3	53%	0.527	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-41.7	177.3	172.1	0	0	0	0	110.7	V32 M39 Y40	V32-V36 HydrophobicContact CG1-CG2 4.19Å; V32-V36 WeakPolarHBondContact O-CB 3.47Å; V32-V36 VanDerWaalsContact O-CG2 3.28Å; V32-V36 WeakPolarHBondContact O-CG2 3.39Å; V32-V36 PolarHBondContact O-N 3.25Å; V36-M39 PolarHBondContact O-N 3.38Å; V36-Y40 WeakPolarHBondContact O-CB 3.46Å; V36-Y40 PolarHBondContact O-N 2.8Å
37	S	93.2	Very high	90.6	Very high	44 Å²	44	40.6 Å²	40.6	31%	0.308	23%	0.225	S	C	.	.	H	α-helix	trans	-62.8	-43.6	175.8	-56.4	0	0	0	0	111.2	V33 Y34 F35 M39 Y40 M41	V33-S37 VanDerWaalsContact O-CB 3.24Å; V33-S37 WeakPolarHBondContact O-CB 3.26Å; V33-S37 PolarHBondContact O-N 3.28Å; V33-S37 PolarHBondContact O-OG 3.01Å; Y34-S37 PolarHBondContact O-N 2.89Å; F35-S37 VanDerWaalsContact C-N 3.34Å; F35-S37 PolarHBondContact O-N 3.49Å; S37-M39 PolarHBondContact O-N 3.42Å; S37-Y40 PolarHBondContact O-N 3.37Å; S37-M41 VanDerWaalsContact O-CG 3.25Å; S37-M41 WeakPolarHBondContact O-CG 3.47Å; S37-M41 PolarHBondContact O-N 3.4Å
38	L	91.9	Very high	90.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-46.9	176.5	-177.4	69.8	0	0	0	111.3	Y34 F35 Y40 M41 F42 I734 L737 A738	Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 2.9Å; F35-L38 WeakPolarHBondContact O-CB 3.38Å; F35-L38 PolarHBondContact O-N 3.48Å; L38-Y40 VanDerWaalsContact C-N 3.34Å; L38-Y40 PolarHBondContact O-N 3.45Å; L38-M41 PolarHBondContact O-N 3.25Å; L38-F42 HydrophobicContact CD1-CD2 4.49Å; L38-F42 HydrophobicContact CD1-CE2 3.75Å; L38-F42 HydrophobicContact CD1-CZ 4.01Å; L38-F42 HydrophobicContact CD2-CE2 4.07Å; L38-F42 HydrophobicContact CG-CD2 4.12Å; L38-F42 HydrophobicContact CG-CE2 3.55Å; L38-F42 HydrophobicContact CG-CZ 4.3Å; L38-F42 WeakPolarHBondContact O-CD2 3.1Å; L38-F42 PolarHBondContact O-N 3.35Å; L38-I734 HydrophobicContact CD1-CB 4.47Å; L38-I734 HydrophobicContact CD1-CG2 3.88Å; L38-L737 HydrophobicContact CD1-CB 4.11Å; L38-A738 HydrophobicContact CD1-CB 4.29Å
39	M	90.1	Very high	90.6	Very high	63 Å²	63	33.4 Å²	33.4	31%	0.31	19%	0.187	S	C	.	.	H	α-helix	trans	-62.4	-40.5	175.6	-67.9	-59.1	102	0	0	112.2	F35 V36 S37 M41 F42 L43	F35-M39 HydrophobicContact CD1-CG 4.35Å; F35-M39 HydrophobicContact CE1-CG 3.95Å; F35-M39 HydrophobicContact CE2-CE 4.2Å; F35-M39 HydrophobicContact CE2-CG 4.5Å; F35-M39 HydrophobicContact CZ-CE 4.43Å; F35-M39 HydrophobicContact CZ-CG 4.03Å; F35-M39 HydrophobicContact CZ-SD 4.24Å; F35-M39 WeakPolarHBondContact O-CG 3.48Å; F35-M39 PolarHBondContact O-N 2.85Å; V36-M39 PolarHBondContact O-N 3.38Å; S37-M39 PolarHBondContact O-N 3.42Å; M39-M41 VanDerWaalsContact C-N 3.33Å; M39-M41 PolarHBondContact O-N 2.83Å; M39-F42 HydrophobicContact CE-CD2 3.63Å; M39-F42 HydrophobicContact CE-CE2 3.83Å; M39-F42 PolarHBondContact O-N 3.28Å; M39-L43 PolarHBondContact O-N 2.87Å; M39-L43 VanDerWaalsContact O-N 3.11Å
40	Y	92.7	Very high	90.3	Very high	81 Å²	81	31.3 Å²	31.3	32%	0.318	17%	0.168	S	C	.	.	H	α-helix	trans	-65.5	-36.1	177	-171.2	-111	0	0	0	112.7	V36 S37 L38 L43 G44 L697 F700 W701	V36-Y40 WeakPolarHBondContact O-CB 3.46Å; V36-Y40 PolarHBondContact O-N 2.8Å; S37-Y40 PolarHBondContact O-N 3.37Å; L38-Y40 VanDerWaalsContact C-N 3.34Å; L38-Y40 PolarHBondContact O-N 3.45Å; Y40-L43 HydrophobicContact CD2-CD2 4.47Å; Y40-L43 WeakPolarHBondContact O-CB 3.35Å; Y40-L43 PolarHBondContact O-N 2.85Å; Y40-G44 PolarHBondContact O-N 2.74Å; Y40-G44 VanDerWaalsContact O-N 3.12Å; Y40-L697 WeakPolarHBondContact CE2-O 3.42Å; Y40-F700 HydrophobicContact CE1-CD1 4.3Å; Y40-F700 WeakPolarHBondContact OH-CD1 3.28Å; Y40-W701 AromaticContact CD1-CZ2 3.94Å; Y40-W701 HydrophobicContact CD1-CZ2 3.94Å; Y40-W701 AromaticContact CD1-NE1 3.71Å; Y40-W701 AromaticContact CE1-CE2 3.65Å; Y40-W701 AromaticContact CE1-CZ2 3.73Å; Y40-W701 HydrophobicContact CE1-CZ2 3.73Å; Y40-W701 AromaticContact CE1-NE1 3.27Å; Y40-W701 VanDerWaalsContact CE1-NE1 3.27Å; Y40-W701 AromaticContact CE2-NE1 3.68Å; Y40-W701 AromaticContact CZ-CD1 3.81Å; Y40-W701 AromaticContact CZ-NE1 3.26Å; Y40-W701 VanDerWaalsContact CZ-NE1 3.26Å; Y40-W701 PolarHBondContact O-NE1 2.94Å
41	M	92.5	Very high	90.1	Very high	19 Å²	19	31.4 Å²	31.4	9%	0.094	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-37.3	174.9	-68.8	-60.6	-62.8	0	0	112.3	S37 L38 M39 L43 G44 V45 W701 L730 I733 I734 L737	S37-M41 VanDerWaalsContact O-CG 3.25Å; S37-M41 WeakPolarHBondContact O-CG 3.47Å; S37-M41 PolarHBondContact O-N 3.4Å; L38-M41 PolarHBondContact O-N 3.25Å; M39-M41 VanDerWaalsContact C-N 3.33Å; M39-M41 PolarHBondContact O-N 2.83Å; M41-L43 VanDerWaalsContact C-N 3.29Å; M41-L43 PolarHBondContact O-N 3.18Å; M41-G44 WeakPolarHBondContact O-CA 3.29Å; M41-G44 PolarHBondContact O-N 3.14Å; M41-G44 VanDerWaalsContact O-N 3.14Å; M41-V45 PolarHBondContact O-N 3.33Å; M41-W701 HydrophobicContact CE-CH2 4.14Å; M41-W701 HydrophobicContact SD-CH2 3.71Å; M41-W701 HydrophobicContact SD-CZ2 3.68Å; M41-L730 HydrophobicContact CE-CB 4.1Å; M41-L730 HydrophobicContact CE-CD2 3.38Å; M41-L730 HydrophobicContact CE-CG 4.32Å; M41-I733 HydrophobicContact CE-CB 3.87Å; M41-I733 HydrophobicContact CE-CD1 4.04Å; M41-I733 HydrophobicContact CE-CG2 3.64Å; M41-I733 HydrophobicContact CG-CG2 4.31Å; M41-I733 HydrophobicContact SD-CG2 4.28Å; M41-I734 HydrophobicContact CB-CD1 4.1Å; M41-I734 HydrophobicContact CB-CG1 3.65Å; M41-L737 HydrophobicContact CB-CD1 4.48Å; M41-L737 HydrophobicContact CG-CD1 3.69Å
42	F	90.1	Very high	90	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-36	172.4	-75.3	-53.2	0	0	0	112.6	L38 M39 G44 V45 S46 I734 V757 T761	L38-F42 HydrophobicContact CD1-CD2 4.49Å; L38-F42 HydrophobicContact CD1-CE2 3.75Å; L38-F42 HydrophobicContact CD1-CZ 4.01Å; L38-F42 HydrophobicContact CD2-CE2 4.07Å; L38-F42 HydrophobicContact CG-CD2 4.12Å; L38-F42 HydrophobicContact CG-CE2 3.55Å; L38-F42 HydrophobicContact CG-CZ 4.3Å; L38-F42 WeakPolarHBondContact O-CD2 3.1Å; L38-F42 PolarHBondContact O-N 3.35Å; M39-F42 HydrophobicContact CE-CD2 3.63Å; M39-F42 HydrophobicContact CE-CE2 3.83Å; M39-F42 PolarHBondContact O-N 3.28Å; F42-G44 VanDerWaalsContact C-N 3.35Å; F42-V45 PolarHBondContact O-N 3.3Å; F42-S46 WeakPolarHBondContact O-CB 3.41Å; F42-S46 PolarHBondContact O-N 3.38Å; F42-S46 PolarHBondContact O-OG 2.63Å; F42-I734 HydrophobicContact CD1-CD1 3.85Å; F42-I734 HydrophobicContact CE1-CD1 3.89Å; F42-I734 HydrophobicContact CE1-CG1 4.46Å; F42-I734 HydrophobicContact CE1-CG2 3.64Å; F42-I734 HydrophobicContact CZ-CG2 3.64Å; F42-V757 HydrophobicContact CZ-CG1 4.22Å; F42-T761 HydrophobicContact CD1-CG2 4.42Å; F42-T761 HydrophobicContact CE1-CG2 3.75Å
43	L	88.2	Confident	89.7	Confident	40 Å²	40	26.8 Å²	26.8	21%	0.209	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-45.2	171.6	-174.6	64.8	0	0	0	110.8	M39 Y40 M41 S46 I47 T698	M39-L43 PolarHBondContact O-N 2.87Å; M39-L43 VanDerWaalsContact O-N 3.11Å; Y40-L43 HydrophobicContact CD2-CD2 4.47Å; Y40-L43 WeakPolarHBondContact O-CB 3.35Å; Y40-L43 PolarHBondContact O-N 2.85Å; M41-L43 VanDerWaalsContact C-N 3.29Å; M41-L43 PolarHBondContact O-N 3.18Å; L43-S46 WeakPolarHBondContact O-CB 3.49Å; L43-S46 PolarHBondContact O-N 3.04Å; L43-I47 HydrophobicContact CG-CD1 4.3Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.36Å; L43-I47 PolarHBondContact O-N 3.44Å; L43-I47 VanDerWaalsContact O-N 3.1Å; L43-T698 HydrophobicContact CD1-CG2 3.96Å; L43-T698 HydrophobicContact CD2-CG2 3.62Å; L43-T698 HydrophobicContact CG-CG2 3.94Å
44	G	90.9	Very high	89.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.5	-51.5	173	0	0	0	0	0	112.7	Y40 M41 F42 S46 I47 I48 F705	Y40-G44 PolarHBondContact O-N 2.74Å; Y40-G44 VanDerWaalsContact O-N 3.12Å; M41-G44 WeakPolarHBondContact O-CA 3.29Å; M41-G44 PolarHBondContact O-N 3.14Å; M41-G44 VanDerWaalsContact O-N 3.14Å; F42-G44 VanDerWaalsContact C-N 3.35Å; G44-S46 VanDerWaalsContact C-N 3.28Å; G44-S46 PolarHBondContact O-N 3.21Å; G44-I47 PolarHBondContact O-N 2.77Å; G44-I47 VanDerWaalsContact O-N 3.13Å; G44-I48 PolarHBondContact O-N 3.33Å; G44-F705 VanDerWaalsContact O-CE2 3.23Å; G44-F705 WeakPolarHBondContact O-CE2 3.48Å
45	V	89.3	Confident	89.1	Confident	4 Å²	4	22.8 Å²	22.8	2%	0.024	12%	0.117	C	C	.	.	H	α-helix	trans	-57.8	-40	176.8	171.2	0	0	0	0	111.9	M41 F42 I47 I48 A49 P100 L730 I734	M41-V45 PolarHBondContact O-N 3.33Å; F42-V45 PolarHBondContact O-N 3.3Å; V45-I47 VanDerWaalsContact C-N 3.35Å; V45-I47 PolarHBondContact O-N 2.96Å; V45-I48 VanDerWaalsContact O-CG2 3.31Å; V45-I48 WeakPolarHBondContact O-CG2 3.42Å; V45-I48 PolarHBondContact O-N 3.23Å; V45-A49 WeakPolarHBondContact O-CB 3.28Å; V45-A49 PolarHBondContact O-N 2.76Å; V45-P100 HydrophobicContact CG1-CB 4.13Å; V45-P100 HydrophobicContact CG1-CG 3.63Å; V45-L730 HydrophobicContact CG2-CB 3.63Å; V45-L730 HydrophobicContact CG2-CD1 4.04Å; V45-I734 HydrophobicContact CB-CD1 4.36Å; V45-I734 HydrophobicContact CG2-CD1 3.42Å; V45-I734 VanDerWaalsContact CG2-CD1 3.42Å
46	S	85.4	Confident	88.8	Confident	10 Å²	10	19.1 Å²	19.1	7%	0.07	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-41.8	177.4	-57.2	0	0	0	0	111.7	F42 L43 G44 A49 D50 T323 P764	F42-S46 WeakPolarHBondContact O-CB 3.41Å; F42-S46 PolarHBondContact O-N 3.38Å; F42-S46 PolarHBondContact O-OG 2.63Å; L43-S46 WeakPolarHBondContact O-CB 3.49Å; L43-S46 PolarHBondContact O-N 3.04Å; G44-S46 VanDerWaalsContact C-N 3.28Å; G44-S46 PolarHBondContact O-N 3.21Å; S46-A49 PolarHBondContact O-N 2.93Å; S46-D50 PolarHBondContact O-N 2.85Å; S46-T323 WeakPolarHBondContact O-CG2 3.43Å; S46-P764 WeakPolarHBondContact OG-CG 3.24Å
47	I	87.7	Confident	88.3	Confident	10 Å²	10	15.5 Å²	15.5	5%	0.051	8%	0.078	C	C	.	.	H	α-helix	trans	-69.5	-43.8	179.6	-58.9	161.4	0	0	0	111.2	L43 G44 V45 A49 D50 I327 T698 W701 F705	L43-I47 HydrophobicContact CG-CD1 4.3Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.36Å; L43-I47 PolarHBondContact O-N 3.44Å; L43-I47 VanDerWaalsContact O-N 3.1Å; G44-I47 PolarHBondContact O-N 2.77Å; G44-I47 VanDerWaalsContact O-N 3.13Å; V45-I47 VanDerWaalsContact C-N 3.35Å; V45-I47 PolarHBondContact O-N 2.96Å; I47-A49 VanDerWaalsContact C-N 3.32Å; I47-D50 WeakPolarHBondContact O-CB 3.21Å; I47-D50 PolarHBondContact O-N 3.45Å; I47-I327 HydrophobicContact CB-CD1 4.29Å; I47-I327 HydrophobicContact CD1-CG2 4.28Å; I47-I327 HydrophobicContact CG1-CD1 3.59Å; I47-I327 HydrophobicContact CG1-CG1 4.04Å; I47-I327 HydrophobicContact CG1-CG2 4.31Å; I47-I327 HydrophobicContact CG2-CD1 4.32Å; I47-T698 HydrophobicContact CD1-CG2 4.08Å; I47-W701 HydrophobicContact CD1-CB 3.44Å; I47-W701 VanDerWaalsContact CD1-CB 3.44Å; I47-W701 HydrophobicContact CD1-CG 4.06Å; I47-F705 HydrophobicContact CB-CD2 4.02Å; I47-F705 HydrophobicContact CB-CE2 4.11Å; I47-F705 HydrophobicContact CG2-CD2 3.74Å; I47-F705 HydrophobicContact CG2-CE2 4.32Å
48	I	90.4	Very high	87.9	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.9	-30.9	177.5	-173.4	65	0	0	0	111.9	G44 V45 D50 R51 F52 F705 V708 V726 I727 L730	G44-I48 PolarHBondContact O-N 3.33Å; V45-I48 VanDerWaalsContact O-CG2 3.31Å; V45-I48 WeakPolarHBondContact O-CG2 3.42Å; V45-I48 PolarHBondContact O-N 3.23Å; I48-D50 PolarHBondContact O-N 3.05Å; I48-R51 HydrophobicContact CD1-CB 4.33Å; I48-R51 PolarHBondContact O-N 3.45Å; I48-F52 PolarHBondContact O-N 3.44Å; I48-F705 HydrophobicContact CB-CD1 4.34Å; I48-F705 HydrophobicContact CB-CD2 3.97Å; I48-F705 HydrophobicContact CB-CE1 4.24Å; I48-F705 HydrophobicContact CB-CE2 3.85Å; I48-F705 HydrophobicContact CB-CG 4.22Å; I48-F705 HydrophobicContact CB-CZ 3.99Å; I48-F705 HydrophobicContact CD1-CB 4.25Å; I48-F705 HydrophobicContact CD1-CD1 3.98Å; I48-F705 HydrophobicContact CD1-CG 4.01Å; I48-F705 HydrophobicContact CG2-CE2 4.38Å; I48-F705 HydrophobicContact CG2-CZ 4.32Å; I48-V708 HydrophobicContact CD1-CG2 3.74Å; I48-V726 HydrophobicContact CD1-CB 4.37Å; I48-V726 HydrophobicContact CD1-CG1 4.24Å; I48-V726 HydrophobicContact CG1-CB 4.11Å; I48-V726 HydrophobicContact CG1-CG1 3.9Å; I48-I727 HydrophobicContact CB-CG1 4.38Å; I48-I727 HydrophobicContact CG1-CG1 4.01Å; I48-I727 HydrophobicContact CG2-CD1 4.47Å; I48-I727 HydrophobicContact CG2-CG1 3.54Å; I48-L730 HydrophobicContact CG2-CD1 3.8Å
49	A	85.8	Confident	87.7	Confident	3 Å²	3	14.4 Å²	14.4	3%	0.025	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-29	173	0	0	0	0	0	112	V45 S46 I47 F52 M53	V45-A49 WeakPolarHBondContact O-CB 3.28Å; V45-A49 PolarHBondContact O-N 2.76Å; S46-A49 PolarHBondContact O-N 2.93Å; I47-A49 VanDerWaalsContact C-N 3.32Å; A49-F52 PolarHBondContact O-N 2.89Å; A49-M53 WeakPolarHBondContact O-CB 3.25Å; A49-M53 VanDerWaalsContact O-CG 3.24Å; A49-M53 WeakPolarHBondContact O-CG 3.19Å; A49-M53 PolarHBondContact O-N 2.89Å
50	D	83.7	Confident	87.3	Confident	7 Å²	7	11.9 Å²	11.9	4%	0.037	6%	0.058	C	C	.	.	H	α-helix	trans	-58.1	-53	170.4	-171.3	53.8	0	0	0	111.7	S46 I47 I48 F52 M53 A54 I320 T323 R324	S46-D50 PolarHBondContact O-N 2.85Å; I47-D50 WeakPolarHBondContact O-CB 3.21Å; I47-D50 PolarHBondContact O-N 3.45Å; I48-D50 PolarHBondContact O-N 3.05Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.08Å; D50-M53 PolarHBondContact O-N 2.94Å; D50-M53 VanDerWaalsContact O-N 3.14Å; D50-A54 PolarHBondContact O-N 3.46Å; D50-I320 WeakPolarHBondContact OD1-CA 3.48Å; D50-I320 WeakPolarHBondContact OD1-CB 3.25Å; D50-I320 WeakPolarHBondContact OD1-CG1 3.18Å; D50-I320 WeakPolarHBondContact OD1-CG2 3.36Å; D50-T323 HydrophobicContact CB-CG2 3.76Å; D50-R324 IonicContact OD2-NE 2.82Å
51	R	86.6	Confident	86.7	Confident	25 Å²	25	8.5 Å²	8.5	9%	0.094	5%	0.046	C	C	.	.	H	α-helix	trans	-63.5	-39.4	179.6	-64.4	-73.5	161.1	156.3	-12.5	111.4	I48 A54 S55 Q663 E666	I48-R51 HydrophobicContact CD1-CB 4.33Å; I48-R51 PolarHBondContact O-N 3.45Å; R51-A54 PolarHBondContact O-N 3.02Å; R51-S55 PolarHBondContact O-N 3.3Å; R51-Q663 VanDerWaalsContact NH1-CD 3.25Å; R51-E666 IonicContact CZ-OE2 3.11Å; R51-E666 IonicContact NH2-OE2 3.8Å; R51-E666 PolarHBondContact NH2-OE2 3.44Å
52	F	88.4	Confident	86	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.1	-45.8	173.1	-174.8	-128	0	0	0	111.9	I48 A49 D50 S55 I56 L95 A99 F720 I724 I727	I48-F52 PolarHBondContact O-N 3.44Å; A49-F52 PolarHBondContact O-N 2.89Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.08Å; F52-S55 PolarHBondContact O-N 3.5Å; F52-S55 PolarHBondContact O-OG 2.89Å; F52-I56 HydrophobicContact CD1-CD1 4.08Å; F52-I56 HydrophobicContact CE1-CD1 3.87Å; F52-I56 HydrophobicContact CE2-CD1 4.36Å; F52-I56 HydrophobicContact CG-CD1 4.43Å; F52-I56 HydrophobicContact CZ-CD1 4Å; F52-I56 WeakPolarHBondContact O-CG1 3.39Å; F52-I56 PolarHBondContact O-N 2.86Å; F52-I56 VanDerWaalsContact O-N 3.15Å; F52-L95 HydrophobicContact CE1-CD2 3.96Å; F52-L95 HydrophobicContact CZ-CD2 3.61Å; F52-A99 HydrophobicContact CD1-CB 4.37Å; F52-A99 HydrophobicContact CE1-CB 3.76Å; F52-F720 HydrophobicContact CD2-CD2 4.04Å; F52-F720 HydrophobicContact CD2-CE2 4.3Å; F52-F720 HydrophobicContact CE2-CD1 4.3Å; F52-F720 AromaticContact CE2-CD2 3.38Å; F52-F720 HydrophobicContact CE2-CD2 3.38Å; F52-F720 HydrophobicContact CE2-CE1 4.21Å; F52-F720 AromaticContact CE2-CE2 3.28Å; F52-F720 HydrophobicContact CE2-CE2 3.28Å; F52-F720 AromaticContact CE2-CG 3.92Å; F52-F720 HydrophobicContact CE2-CG 3.92Å; F52-F720 AromaticContact CE2-CZ 3.72Å; F52-F720 HydrophobicContact CE2-CZ 3.72Å; F52-F720 HydrophobicContact CZ-CD2 4.15Å; F52-F720 AromaticContact CZ-CE2 3.57Å; F52-F720 HydrophobicContact CZ-CE2 3.57Å; F52-F720 AromaticContact CZ-CZ 3.88Å; F52-F720 HydrophobicContact CZ-CZ 3.88Å; F52-I724 HydrophobicContact CD2-CB 4.47Å; F52-I724 HydrophobicContact CE2-CB 3.96Å; F52-I724 HydrophobicContact CE2-CD1 4.47Å; F52-I724 HydrophobicContact CE2-CG1 4.44Å; F52-I724 HydrophobicContact CZ-CB 4.41Å; F52-I724 HydrophobicContact CZ-CD1 4.22Å; F52-I724 HydrophobicContact CZ-CG1 4.41Å; F52-I727 HydrophobicContact CB-CD1 3.84Å; F52-I727 HydrophobicContact CD1-CD1 3.93Å; F52-I727 HydrophobicContact CG-CD1 3.91Å
53	M	85.3	Confident	85.4	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.5	-38.1	176.4	-71.6	-61.9	-61.1	0	0	113	A49 D50 S55 I56 E57 G96 A316 R319 I320	A49-M53 WeakPolarHBondContact O-CB 3.25Å; A49-M53 VanDerWaalsContact O-CG 3.24Å; A49-M53 WeakPolarHBondContact O-CG 3.19Å; A49-M53 PolarHBondContact O-N 2.89Å; D50-M53 PolarHBondContact O-N 2.94Å; D50-M53 VanDerWaalsContact O-N 3.14Å; M53-S55 VanDerWaalsContact C-N 3.28Å; M53-S55 PolarHBondContact O-N 2.68Å; M53-I56 PolarHBondContact O-N 2.89Å; M53-I56 HydrophobicContact SD-CD1 4Å; M53-E57 PolarHBondContact O-N 2.82Å; M53-G96 VanDerWaalsContact SD-CA 3.51Å; M53-A316 HydrophobicContact CE-CB 3.64Å; M53-R319 HydrophobicContact CG-CG 4.24Å; M53-R319 PolarHBondContact SD-NH1 3.15Å; M53-I320 HydrophobicContact CB-CD1 4.19Å; M53-I320 HydrophobicContact CB-CG1 3.98Å
54	A	85	Confident	84.9	Confident	3 Å²	3	17.5 Å²	17.5	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-60.2	-41	174.9	0	0	0	0	0	111.1	D50 R51 I56 E57 V58 I320 I655 T711	D50-A54 PolarHBondContact O-N 3.46Å; R51-A54 PolarHBondContact O-N 3.02Å; A54-I56 PolarHBondContact O-N 3.24Å; A54-E57 PolarHBondContact O-N 3.29Å; A54-V58 WeakPolarHBondContact O-CG2 2.92Å; A54-V58 PolarHBondContact O-N 3.35Å; A54-V58 VanDerWaalsContact O-N 3.12Å; A54-I320 HydrophobicContact CB-CD1 3.88Å; A54-I655 HydrophobicContact CB-CG2 4.09Å; A54-T711 HydrophobicContact CB-CG2 4.09Å
55	S	89.1	Confident	84.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-40.3	174.8	78.1	0	0	0	0	112.9	R51 F52 M53 E57 V58 I59 G716 F720	R51-S55 PolarHBondContact O-N 3.3Å; F52-S55 PolarHBondContact O-N 3.5Å; F52-S55 PolarHBondContact O-OG 2.89Å; M53-S55 VanDerWaalsContact C-N 3.28Å; M53-S55 PolarHBondContact O-N 2.68Å; S55-E57 VanDerWaalsContact C-N 3.34Å; S55-E57 PolarHBondContact O-N 3.43Å; S55-V58 PolarHBondContact O-N 3.49Å; S55-I59 WeakPolarHBondContact O-CD1 3.19Å; S55-I59 VanDerWaalsContact O-CG1 3.23Å; S55-I59 WeakPolarHBondContact O-CG1 3.42Å; S55-I59 PolarHBondContact O-N 3.34Å; S55-G716 WeakPolarHBondContact CB-O 3.29Å; S55-F720 WeakPolarHBondContact OG-CA 3.41Å
56	I	85.6	Confident	83.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-41	176.7	-70.2	160.2	0	0	0	110.9	F52 M53 A54 I59 T60 L92 M93 F720	F52-I56 HydrophobicContact CD1-CD1 4.08Å; F52-I56 HydrophobicContact CE1-CD1 3.87Å; F52-I56 HydrophobicContact CE2-CD1 4.36Å; F52-I56 HydrophobicContact CG-CD1 4.43Å; F52-I56 HydrophobicContact CZ-CD1 4Å; F52-I56 WeakPolarHBondContact O-CG1 3.39Å; F52-I56 PolarHBondContact O-N 2.86Å; F52-I56 VanDerWaalsContact O-N 3.15Å; M53-I56 PolarHBondContact O-N 2.89Å; M53-I56 HydrophobicContact SD-CD1 4Å; A54-I56 PolarHBondContact O-N 3.24Å; I56-I59 PolarHBondContact O-N 2.99Å; I56-T60 HydrophobicContact CG2-CG2 4.12Å; I56-T60 WeakPolarHBondContact O-CB 3.5Å; I56-T60 WeakPolarHBondContact O-CG2 3.16Å; I56-T60 PolarHBondContact O-N 3.38Å; I56-T60 PolarHBondContact O-OG1 3.49Å; I56-L92 WeakPolarHBondContact CD1-O 3.45Å; I56-L92 HydrophobicContact CG1-CB 4.49Å; I56-L92 HydrophobicContact CG2-CB 3.7Å; I56-M93 HydrophobicContact CG2-CG 3.88Å; I56-F720 HydrophobicContact CD1-CE2 4.23Å; I56-F720 HydrophobicContact CG1-CD2 3.87Å; I56-F720 HydrophobicContact CG1-CE2 3.79Å
57	E	83.2	Confident	82.9	Confident	10 Å²	10	30.9 Å²	30.9	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-46.1	177.6	-173.8	60.4	-168.4	0	0	111.4	M53 A54 S55 I59 T60 S61 M93 S314 A316 I655	M53-E57 PolarHBondContact O-N 2.82Å; A54-E57 PolarHBondContact O-N 3.29Å; S55-E57 VanDerWaalsContact C-N 3.34Å; S55-E57 PolarHBondContact O-N 3.43Å; E57-I59 VanDerWaalsContact C-N 3.33Å; E57-I59 PolarHBondContact O-N 3.49Å; E57-T60 PolarHBondContact O-N 3.41Å; E57-T60 PolarHBondContact O-OG1 2.89Å; E57-S61 WeakPolarHBondContact O-CB 3.38Å; E57-S61 PolarHBondContact O-N 2.85Å; E57-S61 PolarHBondContact O-OG 2.97Å; E57-M93 WeakPolarHBondContact OE2-CE 3.49Å; E57-S314 WeakPolarHBondContact OE1-CB 3.37Å; E57-S314 PolarHBondContact OE1-OG 3.36Å; E57-S314 WeakPolarHBondContact OE2-CB 3.48Å; E57-S314 PolarHBondContact OE2-OG 3.13Å; E57-A316 HydrophobicContact CB-CB 3.86Å; E57-A316 HydrophobicContact CG-CB 4.36Å; E57-A316 VanDerWaalsContact OE2-CB 3.26Å; E57-A316 WeakPolarHBondContact OE2-CB 3.26Å; E57-I655 HydrophobicContact CG-CD1 3.75Å
58	V	84.6	Confident	82.2	Confident	22 Å²	22	34.1 Å²	34.1	13%	0.133	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-39	176.8	175.3	0	0	0	0	111.6	A54 S55 S61 Q62	A54-V58 WeakPolarHBondContact O-CG2 2.92Å; A54-V58 PolarHBondContact O-N 3.35Å; A54-V58 VanDerWaalsContact O-N 3.12Å; S55-V58 PolarHBondContact O-N 3.49Å; V58-S61 PolarHBondContact O-OG 3.26Å; V58-Q62 WeakPolarHBondContact O-CG 3.01Å
59	I	86.9	Confident	81.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-39.9	176.9	-69.3	163.6	0	0	0	111.5	S55 I56 E57 Q62 W83 L92 N715 W717 F720	S55-I59 WeakPolarHBondContact O-CD1 3.19Å; S55-I59 VanDerWaalsContact O-CG1 3.23Å; S55-I59 WeakPolarHBondContact O-CG1 3.42Å; S55-I59 PolarHBondContact O-N 3.34Å; I56-I59 PolarHBondContact O-N 2.99Å; E57-I59 VanDerWaalsContact C-N 3.33Å; E57-I59 PolarHBondContact O-N 3.49Å; I59-Q62 WeakPolarHBondContact O-CG 3.12Å; I59-W83 PolarHBondContact O-NE1 2.85Å; I59-L92 HydrophobicContact CG2-CD1 4.08Å; I59-N715 VanDerWaalsContact CG1-O 3.32Å; I59-N715 WeakPolarHBondContact CG1-O 3.37Å; I59-W717 HydrophobicContact CD1-CD2 3.86Å; I59-W717 HydrophobicContact CD1-CE3 4.09Å; I59-W717 HydrophobicContact CD1-CG 4.22Å; I59-W717 HydrophobicContact CD1-CZ2 4.37Å; I59-W717 HydrophobicContact CD1-CZ3 4.44Å; I59-W717 HydrophobicContact CG1-CD2 4.39Å; I59-W717 HydrophobicContact CG1-CG 4.48Å; I59-W717 HydrophobicContact CG2-CZ2 3.84Å; I59-F720 HydrophobicContact CD1-CB 4.06Å; I59-F720 HydrophobicContact CD1-CD2 4.1Å; I59-F720 HydrophobicContact CD1-CG 4.26Å
60	T	82.4	Confident	80.4	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.055	22%	0.221	C	C	.	.	H	α-helix	trans	-89	-20.5	-170.4	58	0	0	0	0	113.8	I56 E57 Q62 W83 S88 L92	I56-T60 HydrophobicContact CG2-CG2 4.12Å; I56-T60 WeakPolarHBondContact O-CB 3.5Å; I56-T60 WeakPolarHBondContact O-CG2 3.16Å; I56-T60 PolarHBondContact O-N 3.38Å; I56-T60 PolarHBondContact O-OG1 3.49Å; E57-T60 PolarHBondContact O-N 3.41Å; E57-T60 PolarHBondContact O-OG1 2.89Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-W83 HydrophobicContact CG2-CG 4.49Å; T60-S88 WeakPolarHBondContact CB-OG 3.43Å; T60-S88 WeakPolarHBondContact CG2-OG 3.26Å; T60-L92 HydrophobicContact CG2-CB 4.32Å; T60-L92 HydrophobicContact CG2-CD1 3.7Å
61	S	79.1	Confident	79.4	Confident	10 Å²	10	49.1 Å²	49.1	7%	0.07	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.9	175.3	57.2	0	0	0	0	114.2	E57 V58 E63 A652	E57-S61 WeakPolarHBondContact O-CB 3.38Å; E57-S61 PolarHBondContact O-N 2.85Å; E57-S61 PolarHBondContact O-OG 2.97Å; V58-S61 PolarHBondContact O-OG 3.26Å; S61-E63 PolarHBondContact O-N 2.98Å; S61-A652 WeakPolarHBondContact OG-CB 3.24Å
62	Q	78.5	Confident	78.5	Confident	50 Å²	50	52.6 Å²	52.6	23%	0.234	28%	0.283	C	S	.	.			trans	-59.9	127	177.1	-66	179.4	10.8	0	0	111.2	V58 I59 T60 I82 N715	V58-Q62 WeakPolarHBondContact O-CG 3.01Å; I59-Q62 WeakPolarHBondContact O-CG 3.12Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; Q62-I82 HydrophobicContact CB-CD1 3.75Å; Q62-I82 HydrophobicContact CB-CG1 4.34Å; Q62-I82 WeakPolarHBondContact O-CG1 3.25Å; Q62-I82 PolarHBondContact O-N 3.12Å; Q62-N715 PolarHBondContact NE2-O 3.32Å
63	E	78.2	Confident	77.4	Confident	73 Å²	73	55.6 Å²	55.6	34%	0.341	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.2	177	-66.4	-178.9	168	0	0	109.5	S61 R81 R276	S61-E63 PolarHBondContact O-N 2.98Å; E63-R81 HydrophobicContact CG-CG 3.85Å; E63-R81 IonicContact OE1-NE 3.97Å; E63-R276 IonicContact OE1-NH1 2.83Å; E63-R276 IonicContact OE1-NH2 3.71Å; E63-R276 IonicContact OE2-NH1 3.93Å
64	K	77.3	Confident	76.5	Confident	132 Å²	132	61.6 Å²	61.6	57%	0.574	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.1	176.2	-178.4	175	-178.3	178.6	0	109	V66 V80 I82	K64-V66 HydrophobicContact CG-CG2 4.46Å; K64-V66 PolarHBondContact O-N 3.5Å; K64-V80 PolarHBondContact N-O 2.86Å; K64-V80 PolarHBondContact O-N 3.23Å; K64-I82 HydrophobicContact CB-CD1 4.16Å; K64-I82 HydrophobicContact CB-CG1 3.7Å
65	E	74.8	Confident	75.5	Confident	140 Å²	140	66.4 Å²	66.4	65%	0.654	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.8	171.6	-68.4	172.9	-165.4	0	0	109.7	T79	E65-T79 HydrophobicContact CG-CG2 3.76Å
66	V	76.2	Confident	74.3	Confident	61 Å²	61	68.2 Å²	68.2	37%	0.37	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.4	177.6	-175.8	0	0	0	0	108.7	K64 I68 A78	K64-V66 HydrophobicContact CG-CG2 4.46Å; K64-V66 PolarHBondContact O-N 3.5Å; V66-I68 PolarHBondContact O-N 2.96Å; V66-A78 PolarHBondContact N-O 2.87Å; V66-A78 PolarHBondContact O-N 3.25Å
67	T	72.8	Confident	73.3	Confident	93 Å²	93	73.9 Å²	73.9	57%	0.571	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	108.9	171.7	52.5	0	0	0	0	109.2	L77	T67-L77 HydrophobicContact CG2-CD2 3.55Å; T67-L77 HydrophobicContact CG2-CG 4.42Å
68	I	72.4	Confident	72.4	Confident	79 Å²	79	74.1 Å²	74.1	41%	0.405	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.2	173.8	-58.1	177.3	0	0	0	107.6	V66 M70 S76 A78	V66-I68 PolarHBondContact O-N 2.96Å; I68-M70 PolarHBondContact O-N 2.91Å; I68-S76 PolarHBondContact N-O 3.13Å; I68-S76 PolarHBondContact O-N 3.08Å; I68-S76 VanDerWaalsContact O-N 3.07Å; I68-S76 PolarHBondContact O-OG 3.27Å; I68-A78 HydrophobicContact CD1-CB 3.83Å; I68-A78 HydrophobicContact CG1-CB 4.35Å
69	T	70.6	Confident	71.4	Confident	100 Å²	100	75.1 Å²	75.1	61%	0.613	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.8	169.4	51.4	0	0	0	0	108.6	T75	T69-T75 HydrophobicContact CG2-CG2 3.74Å
70	M	68.6	Low	70.6	Confident	85 Å²	85	78.4 Å²	78.4	42%	0.419	44%	0.444	S	S	.	.			trans	-71.4	157.1	174.1	-70.1	-160.4	-158.6	0	0	110.7	I68 N72 G73 E74 S76	I68-M70 PolarHBondContact O-N 2.91Å; M70-N72 WeakPolarHBondContact CB-OD1 3.27Å; M70-N72 PolarHBondContact O-N 3.47Å; M70-N72 VanDerWaalsContact O-N 3.08Å; M70-G73 PolarHBondContact O-N 3.28Å; M70-E74 PolarHBondContact N-O 3.28Å; M70-S76 WeakPolarHBondContact CE-OG 3.17Å
71	P	62.1	Low	69.9	Low	139 Å²	139	82.9 Å²	82.9	90%	0.903	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.3	179.5	23.8	-32.3	0	0	0	114.6
72	N	67.2	Low	70	Confident	98 Å²	98	86.8 Å²	86.8	52%	0.524	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.3	171.9	64.2	-10.3	0	0	0	113.4	M70 E74	M70-N72 WeakPolarHBondContact CB-OD1 3.27Å; M70-N72 PolarHBondContact O-N 3.47Å; M70-N72 VanDerWaalsContact O-N 3.08Å; N72-E74 PolarHBondContact ND2-OE2 3.44Å; N72-E74 PolarHBondContact OD1-N 3.28Å; N72-E74 VanDerWaalsContact OD1-N 3.15Å
73	G	65.9	Low	69.8	Low	64 Å²	64	88.1 Å²	88.1	66%	0.66	48%	0.482	S	S	*	.	S	Bend	trans	90.4	-4.6	-178.8	0	0	0	0	0	115	M70	M70-G73 PolarHBondContact O-N 3.28Å
74	E	65.4	Low	69.9	Low	126 Å²	126	87 Å²	87	59%	0.589	48%	0.478	S	S	*	.			trans	-77.4	140.9	174.3	-70.7	170.2	174	0	0	110.8	M70 N72	M70-E74 PolarHBondContact N-O 3.28Å; N72-E74 PolarHBondContact ND2-OE2 3.44Å; N72-E74 PolarHBondContact OD1-N 3.28Å; N72-E74 VanDerWaalsContact OD1-N 3.15Å
75	T	64.8	Low	69.7	Low	103 Å²	103	85.8 Å²	85.8	63%	0.632	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.5	176.8	48.8	0	0	0	0	109.1	T69	T69-T75 HydrophobicContact CG2-CG2 3.74Å
76	S	62.8	Low	69.7	Low	38 Å²	38	80 Å²	80	27%	0.266	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.6	169.8	59.5	0	0	0	0	109.5	I68 M70	I68-S76 PolarHBondContact N-O 3.13Å; I68-S76 PolarHBondContact O-N 3.08Å; I68-S76 VanDerWaalsContact O-N 3.07Å; I68-S76 PolarHBondContact O-OG 3.27Å; M70-S76 WeakPolarHBondContact CE-OG 3.17Å
77	L	66.1	Low	70	Confident	119 Å²	119	78.3 Å²	78.3	62%	0.623	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	127	163.8	-73.4	161.4	0	0	0	107.8	T67	T67-L77 HydrophobicContact CG2-CD2 3.55Å; T67-L77 HydrophobicContact CG2-CG 4.42Å
78	A	64.4	Low	70.3	Confident	16 Å²	16	74.1 Å²	74.1	13%	0.132	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.9	173.6	0	0	0	0	0	109.3	V66 I68	V66-A78 PolarHBondContact N-O 2.87Å; V66-A78 PolarHBondContact O-N 3.25Å; I68-A78 HydrophobicContact CD1-CB 3.83Å; I68-A78 HydrophobicContact CG1-CB 4.35Å
79	T	63.4	Low	70.4	Confident	42 Å²	42	72.5 Å²	72.5	26%	0.258	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.8	170	50.7	0	0	0	0	110	E65 E273	E65-T79 HydrophobicContact CG-CG2 3.76Å; T79-E273 WeakPolarHBondContact CB-OE1 3.17Å; T79-E273 WeakPolarHBondContact CG2-OE1 3.12Å; T79-E273 PolarHBondContact N-OE1 3.41Å; T79-E273 PolarHBondContact N-OE2 3.19Å; T79-E273 PolarHBondContact OG1-OE1 3.06Å
80	V	68.9	Low	70.7	Confident	70 Å²	70	68.4 Å²	68.4	42%	0.424	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.3	179.1	-175.5	0	0	0	0	109.4	K64 I82	K64-V80 PolarHBondContact N-O 2.86Å; K64-V80 PolarHBondContact O-N 3.23Å; V80-I82 PolarHBondContact O-N 2.01Å
81	R	69.4	Low	71.4	Confident	103 Å²	103	65.4 Å²	65.4	39%	0.389	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	132.1	172.2	-72.1	-178.2	177.1	178.3	-4.2	110.7	E63 W83	E63-R81 HydrophobicContact CG-CG 3.85Å; E63-R81 IonicContact OE1-NE 3.97Å; R81-W83 VanDerWaalsContact C-N 3.28Å; R81-W83 PolarHBondContact O-N 2.99Å
82	I	79.3	Confident	72.2	Confident	92 Å²	92	59.7 Å²	59.7	47%	0.472	33%	0.327	S	S	.	.	S	Bend	trans	-62.8	-40.8	178.4	-63.5	178	0	0	0	110.1	Q62 K64 V80	Q62-I82 HydrophobicContact CB-CD1 3.75Å; Q62-I82 HydrophobicContact CB-CG1 4.34Å; Q62-I82 WeakPolarHBondContact O-CG1 3.25Å; Q62-I82 PolarHBondContact O-N 3.12Å; K64-I82 HydrophobicContact CB-CD1 4.16Å; K64-I82 HydrophobicContact CB-CG1 3.7Å; V80-I82 PolarHBondContact O-N 2.01Å
83	W	75.4	Confident	72.5	Confident	78 Å²	78	55.3 Å²	55.3	30%	0.295	30%	0.304	S	S	.	.	S	Bend	trans	-94	131.8	-179.2	-67.7	88.8	0	0	0	111.5	I59 T60 R81 L92	I59-W83 PolarHBondContact O-NE1 2.85Å; T60-W83 HydrophobicContact CG2-CG 4.49Å; R81-W83 VanDerWaalsContact C-N 3.28Å; R81-W83 PolarHBondContact O-N 2.99Å; W83-L92 HydrophobicContact CH2-CD1 4.04Å; W83-L92 HydrophobicContact CZ2-CD1 4.11Å; W83-L92 HydrophobicContact CZ3-CD1 4.34Å
84	N	80	Confident	72.9	Confident	48 Å²	48	52.3 Å²	52.3	26%	0.257	27%	0.272	S	S	.	.			trans	-69	133.4	165.5	171.9	-86.9	0	0	0	109.3	T86 V87 S88 D206	N84-T86 PolarHBondContact O-N 3.11Å; N84-T86 VanDerWaalsContact OD1-CB 3.32Å; N84-T86 WeakPolarHBondContact OD1-CB 3.41Å; N84-T86 PolarHBondContact OD1-N 3.39Å; N84-V87 HydrophobicContact CB-CB 4.21Å; N84-V87 HydrophobicContact CB-CG2 4.11Å; N84-V87 PolarHBondContact O-N 3.31Å; N84-V87 VanDerWaalsContact O-N 3.15Å; N84-V87 PolarHBondContact OD1-N 3.23Å; N84-V87 VanDerWaalsContact OD1-N 3.1Å; N84-S88 WeakPolarHBondContact O-CB 3.36Å; N84-S88 PolarHBondContact O-N 3.26Å; N84-D206 PolarHBondContact ND2-OD2 2.94Å
85	E	73.3	Confident	73.6	Confident	107 Å²	107	47.8 Å²	47.8	50%	0.5	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-45.4	-175.4	-170	-179.4	168.9	0	0	112.8	V87 S88 N89	E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 2.92Å; E85-S88 PolarHBondContact O-N 2.66Å; E85-N89 VanDerWaalsContact O-CB 3.24Å; E85-N89 WeakPolarHBondContact O-CB 3.46Å; E85-N89 PolarHBondContact O-N 3.36Å; E85-N89 PolarHBondContact O-ND2 2.93Å
86	T	74.1	Confident	74.3	Confident	18 Å²	18	42.9 Å²	42.9	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-42.3	177.2	-57	0	0	0	0	111.7	N84 L90 V156 A202 D206	N84-T86 PolarHBondContact O-N 3.11Å; N84-T86 VanDerWaalsContact OD1-CB 3.32Å; N84-T86 WeakPolarHBondContact OD1-CB 3.41Å; N84-T86 PolarHBondContact OD1-N 3.39Å; T86-L90 HydrophobicContact CG2-CD1 4.09Å; T86-L90 PolarHBondContact O-N 3.28Å; T86-L90 VanDerWaalsContact O-N 3.16Å; T86-V156 HydrophobicContact CG2-CG1 3.91Å; T86-A202 HydrophobicContact CG2-CB 4.04Å; T86-D206 HydrophobicContact CG2-CB 4.32Å; T86-D206 PolarHBondContact OG1-OD2 3.04Å; T86-D206 VanDerWaalsContact OG1-OD2 3.07Å
87	V	82.8	Confident	75	Confident	27 Å²	27	41.1 Å²	41.1	16%	0.164	21%	0.21	C	C	.	.	H	α-helix	trans	-68.3	-45.3	178.7	174.1	0	0	0	0	111.2	N84 E85 N89 L90 T91 V199 W203	N84-V87 HydrophobicContact CB-CB 4.21Å; N84-V87 HydrophobicContact CB-CG2 4.11Å; N84-V87 PolarHBondContact O-N 3.31Å; N84-V87 VanDerWaalsContact O-N 3.15Å; N84-V87 PolarHBondContact OD1-N 3.23Å; N84-V87 VanDerWaalsContact OD1-N 3.1Å; E85-V87 VanDerWaalsContact C-N 3.35Å; E85-V87 PolarHBondContact O-N 2.92Å; V87-N89 VanDerWaalsContact C-N 3.33Å; V87-N89 PolarHBondContact O-N 3.03Å; V87-L90 PolarHBondContact O-N 3.47Å; V87-T91 HydrophobicContact CG1-CG2 4.26Å; V87-T91 WeakPolarHBondContact O-CB 3.19Å; V87-T91 WeakPolarHBondContact O-CG2 3.46Å; V87-T91 PolarHBondContact O-N 3Å; V87-T91 PolarHBondContact O-OG1 2.82Å; V87-V199 HydrophobicContact CB-CG1 4.44Å; V87-V199 HydrophobicContact CG1-CG1 3.89Å; V87-V199 HydrophobicContact CG2-CG1 4.24Å; V87-W203 HydrophobicContact CG2-CB 3.74Å; V87-W203 HydrophobicContact CG2-CG 3.91Å
88	S	80.3	Confident	76	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.028	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-46	176.2	175.5	0	0	0	0	111.4	T60 N84 E85 L90 T91 L92 M93	T60-S88 WeakPolarHBondContact CB-OG 3.43Å; T60-S88 WeakPolarHBondContact CG2-OG 3.26Å; N84-S88 WeakPolarHBondContact O-CB 3.36Å; N84-S88 PolarHBondContact O-N 3.26Å; E85-S88 PolarHBondContact O-N 2.66Å; S88-L90 PolarHBondContact O-N 3.01Å; S88-T91 PolarHBondContact O-N 2.91Å; S88-L92 PolarHBondContact O-N 3.45Å; S88-L92 VanDerWaalsContact O-N 3.14Å; S88-M93 PolarHBondContact O-N 2.98Å
89	N	74.2	Confident	77.2	Confident	46 Å²	46	34.9 Å²	34.9	25%	0.246	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-39.7	-179.2	-75.7	-17.4	0	0	0	112.9	E85 V87 M93 A94 R315	E85-N89 VanDerWaalsContact O-CB 3.24Å; E85-N89 WeakPolarHBondContact O-CB 3.46Å; E85-N89 PolarHBondContact O-N 3.36Å; E85-N89 PolarHBondContact O-ND2 2.93Å; V87-N89 VanDerWaalsContact C-N 3.33Å; V87-N89 PolarHBondContact O-N 3.03Å; N89-M93 PolarHBondContact OD1-SD 3.39Å; N89-A94 PolarHBondContact O-N 2.91Å; N89-A94 VanDerWaalsContact O-N 3.12Å; N89-R315 PolarHBondContact O-NH1 3.31Å
90	L	75.8	Confident	78.3	Confident	14 Å²	14	33.1 Å²	33.1	7%	0.073	16%	0.164	C	C	.	.	H	α-helix	trans	-84.4	-27	-178.9	-79.8	164.4	0	0	0	113.8	T86 V87 S88 A94 T160 V199 A202	T86-L90 HydrophobicContact CG2-CD1 4.09Å; T86-L90 PolarHBondContact O-N 3.28Å; T86-L90 VanDerWaalsContact O-N 3.16Å; V87-L90 PolarHBondContact O-N 3.47Å; S88-L90 PolarHBondContact O-N 3.01Å; L90-A94 WeakPolarHBondContact O-CB 3.38Å; L90-T160 HydrophobicContact CD1-CG2 4.06Å; L90-T160 HydrophobicContact CD2-CG2 3.83Å; L90-T160 HydrophobicContact CG-CG2 4.44Å; L90-V199 HydrophobicContact CB-CG2 4.35Å; L90-A202 HydrophobicContact CD1-CB 3.21Å
91	T	82.8	Confident	79.3	Confident	22 Å²	22	29.8 Å²	29.8	14%	0.135	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-83	-179.7	57.6	0	0	0	0	110.8	V87 S88 L95 F195 V199	V87-T91 HydrophobicContact CG1-CG2 4.26Å; V87-T91 WeakPolarHBondContact O-CB 3.19Å; V87-T91 WeakPolarHBondContact O-CG2 3.46Å; V87-T91 PolarHBondContact O-N 3Å; V87-T91 PolarHBondContact O-OG1 2.82Å; S88-T91 PolarHBondContact O-N 2.91Å; T91-L95 WeakPolarHBondContact O-CB 3.45Å; T91-L95 PolarHBondContact O-N 3.38Å; T91-F195 HydrophobicContact CG2-CZ 3.9Å; T91-V199 HydrophobicContact CG2-CB 4.28Å; T91-V199 HydrophobicContact CG2-CG1 3.72Å; T91-V199 HydrophobicContact CG2-CG2 3.55Å
92	L	78.9	Confident	80.4	Confident	19 Å²	19	25.7 Å²	25.7	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-71	-40.2	-171.2	-67.6	173.2	0	0	0	112.2	I56 I59 T60 W83 S88 G96 F720	I56-L92 WeakPolarHBondContact CD1-O 3.45Å; I56-L92 HydrophobicContact CG1-CB 4.49Å; I56-L92 HydrophobicContact CG2-CB 3.7Å; I59-L92 HydrophobicContact CG2-CD1 4.08Å; T60-L92 HydrophobicContact CG2-CB 4.32Å; T60-L92 HydrophobicContact CG2-CD1 3.7Å; W83-L92 HydrophobicContact CH2-CD1 4.04Å; W83-L92 HydrophobicContact CZ2-CD1 4.11Å; W83-L92 HydrophobicContact CZ3-CD1 4.34Å; S88-L92 PolarHBondContact O-N 3.45Å; S88-L92 VanDerWaalsContact O-N 3.14Å; L92-G96 PolarHBondContact O-N 2.9Å; L92-F720 HydrophobicContact CD2-CE2 4.29Å; L92-F720 HydrophobicContact CD2-CZ 4.42Å
93	M	73.8	Confident	81	Confident	6 Å²	6	22.9 Å²	22.9	3%	0.03	12%	0.116	C	C	.	.	H	α-helix	trans	-77.1	-33	-176.8	-55.1	-168.8	177	0	0	113.5	I56 E57 S88 N89 G96 S97 R315	I56-M93 HydrophobicContact CG2-CG 3.88Å; E57-M93 WeakPolarHBondContact OE2-CE 3.49Å; S88-M93 PolarHBondContact O-N 2.98Å; N89-M93 PolarHBondContact OD1-SD 3.39Å; M93-G96 PolarHBondContact O-N 3.28Å; M93-S97 PolarHBondContact O-N 2.99Å; M93-R315 HydrophobicContact SD-CB 3.75Å; M93-R315 HydrophobicContact SD-CG 4.4Å
94	A	75.1	Confident	81.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-72	-39	172.4	0	0	0	0	0	111.6	N89 L90 G96 S97 S98 V792	N89-A94 PolarHBondContact O-N 2.91Å; N89-A94 VanDerWaalsContact O-N 3.12Å; L90-A94 WeakPolarHBondContact O-CB 3.38Å; A94-G96 VanDerWaalsContact C-N 3.26Å; A94-G96 PolarHBondContact O-N 3.45Å; A94-S97 PolarHBondContact O-N 3.01Å; A94-S97 PolarHBondContact O-OG 3.27Å; A94-S98 WeakPolarHBondContact O-CB 3.36Å; A94-S98 PolarHBondContact O-N 3.49Å; A94-S98 VanDerWaalsContact O-N 3.1Å; A94-S98 PolarHBondContact O-OG 3.4Å; A94-S98 VanDerWaalsContact O-OG 3.12Å; A94-V792 HydrophobicContact CB-CB 4.45Å; A94-V792 HydrophobicContact CB-CG2 3.88Å
95	L	80.9	Confident	82.2	Confident	32 Å²	32	17.3 Å²	17.3	17%	0.168	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-41.1	169.5	-174.9	158.9	0	0	0	110.7	F52 T91 S97 S98 A99 F720 L796	F52-L95 HydrophobicContact CE1-CD2 3.96Å; F52-L95 HydrophobicContact CZ-CD2 3.61Å; T91-L95 WeakPolarHBondContact O-CB 3.45Å; T91-L95 PolarHBondContact O-N 3.38Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 3.2Å; L95-S98 CarbonylContact O-C 3.58Å; L95-S98 PolarHBondContact O-N 3.28Å; L95-S98 VanDerWaalsContact O-N 3.14Å; L95-A99 WeakPolarHBondContact O-CB 3.3Å; L95-A99 PolarHBondContact O-N 3.12Å; L95-F720 HydrophobicContact CD2-CZ 4.49Å; L95-L796 HydrophobicContact CD1-CD2 3.66Å; L95-L796 HydrophobicContact CG-CD2 4.22Å
96	G	78.1	Confident	83.1	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-46	-52.1	170.9	0	0	0	0	0	113.7	M53 L92 M93 A94 R319	M53-G96 VanDerWaalsContact SD-CA 3.51Å; L92-G96 PolarHBondContact O-N 2.9Å; M93-G96 PolarHBondContact O-N 3.28Å; A94-G96 VanDerWaalsContact C-N 3.26Å; A94-G96 PolarHBondContact O-N 3.45Å; G96-R319 PolarHBondContact O-NH1 2.89Å
97	S	77.7	Confident	84	Confident	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.082	C	C	.	.	H	α-helix	trans	-65.7	-43.7	176.8	41.9	0	0	0	0	113.2	M93 A94 L95 R315 R319 D765	M93-S97 PolarHBondContact O-N 2.99Å; A94-S97 PolarHBondContact O-N 3.01Å; A94-S97 PolarHBondContact O-OG 3.27Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 3.2Å; S97-R315 PolarHBondContact OG-NH2 2.78Å; S97-R319 VanDerWaalsContact CA-NH1 3.26Å; S97-R319 PolarHBondContact O-NH2 3.14Å; S97-D765 WeakPolarHBondContact CB-OD1 3.35Å; S97-D765 WeakPolarHBondContact CB-OD2 3.31Å
98	S	87.6	Confident	84.3	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-92.1	0.6	-166.6	-63.6	0	0	0	0	115.1	A94 L95 E101 I102 S789 N793	A94-S98 WeakPolarHBondContact O-CB 3.36Å; A94-S98 PolarHBondContact O-N 3.49Å; A94-S98 VanDerWaalsContact O-N 3.1Å; A94-S98 PolarHBondContact O-OG 3.4Å; A94-S98 VanDerWaalsContact O-OG 3.12Å; L95-S98 CarbonylContact O-C 3.58Å; L95-S98 PolarHBondContact O-N 3.28Å; L95-S98 VanDerWaalsContact O-N 3.14Å; S98-E101 VanDerWaalsContact CA-OE2 3.24Å; S98-E101 WeakPolarHBondContact CA-OE2 3.4Å; S98-E101 PolarHBondContact O-N 3.34Å; S98-E101 VanDerWaalsContact O-OE2 3.1Å; S98-I102 WeakPolarHBondContact O-CB 3.38Å; S98-I102 WeakPolarHBondContact O-CD1 3.47Å; S98-I102 WeakPolarHBondContact O-CG1 3.33Å; S98-I102 PolarHBondContact O-N 2.94Å; S98-S789 WeakPolarHBondContact OG-CB 3.49Å; S98-N793 WeakPolarHBondContact CB-OD1 3.45Å; S98-N793 PolarHBondContact OG-OD1 2.92Å
99	A	88.6	Confident	84.8	Confident	3 Å²	3	14.1 Å²	14.1	3%	0.025	8%	0.076	C	C	.	.	H	α-helix	trans	-57.1	-43	-173.4	0	0	0	0	0	112.9	F52 L95 E101 I102 L103	F52-A99 HydrophobicContact CD1-CB 4.37Å; F52-A99 HydrophobicContact CE1-CB 3.76Å; L95-A99 WeakPolarHBondContact O-CB 3.3Å; L95-A99 PolarHBondContact O-N 3.12Å; A99-E101 PolarHBondContact O-N 3.47Å; A99-I102 PolarHBondContact O-N 3.11Å; A99-L103 HydrophobicContact CB-CD1 4.48Å; A99-L103 VanDerWaalsContact O-CB 3.24Å; A99-L103 WeakPolarHBondContact O-CB 3.37Å; A99-L103 WeakPolarHBondContact O-CD1 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.21Å; A99-L103 PolarHBondContact O-N 3.01Å
100	P	87.6	Confident	85.6	Confident	5 Å²	5	14.6 Å²	14.6	3%	0.032	8%	0.083	C	C	.	.	H	α-helix	trans	-59	-44.6	177.5	-25.6	36.6	0	0	0	113.5	V45 L104 I727 T731 T761	V45-P100 HydrophobicContact CG1-CB 4.13Å; V45-P100 HydrophobicContact CG1-CG 3.63Å; P100-L104 VanDerWaalsContact O-CB 3.26Å; P100-L104 WeakPolarHBondContact O-CB 3.21Å; P100-L104 PolarHBondContact O-N 3.46Å; P100-I727 HydrophobicContact CG-CG2 4.15Å; P100-T731 HydrophobicContact CB-CG2 3.79Å; P100-T761 HydrophobicContact CB-CG2 4.01Å
101	E	90.3	Very high	86.1	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-69.1	-43.2	-179	-61.6	85.9	170.5	0	0	112	S98 A99 L104 S105 T123 I124 T761	S98-E101 VanDerWaalsContact CA-OE2 3.24Å; S98-E101 WeakPolarHBondContact CA-OE2 3.4Å; S98-E101 PolarHBondContact O-N 3.34Å; S98-E101 VanDerWaalsContact O-OE2 3.1Å; A99-E101 PolarHBondContact O-N 3.47Å; E101-L104 PolarHBondContact O-N 2.86Å; E101-S105 PolarHBondContact O-N 3.4Å; E101-S105 VanDerWaalsContact O-N 3.14Å; E101-T123 HydrophobicContact CG-CG2 4.19Å; E101-I124 HydrophobicContact CB-CG1 4.2Å; E101-T761 WeakPolarHBondContact OE1-CB 3.44Å; E101-T761 PolarHBondContact OE1-OG1 3.43Å
102	I	91.3	Very high	86.3	Confident	16 Å²	16	18.2 Å²	18.2	8%	0.082	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-48.9	178.1	-69	165.3	0	0	0	109.9	S98 A99 S105 V106 V792 L796	S98-I102 WeakPolarHBondContact O-CB 3.38Å; S98-I102 WeakPolarHBondContact O-CD1 3.47Å; S98-I102 WeakPolarHBondContact O-CG1 3.33Å; S98-I102 PolarHBondContact O-N 2.94Å; A99-I102 PolarHBondContact O-N 3.11Å; I102-S105 PolarHBondContact O-N 3.14Å; I102-V106 WeakPolarHBondContact O-CG2 3.28Å; I102-V106 PolarHBondContact O-N 3.24Å; I102-V106 VanDerWaalsContact O-N 3.09Å; I102-V792 HydrophobicContact CD1-CG1 4.11Å; I102-L796 HydrophobicContact CD1-CB 4.49Å; I102-L796 HydrophobicContact CD1-CD2 4.15Å
103	L	91.9	Very high	86.8	Confident	34 Å²	34	23 Å²	23	18%	0.178	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-39.1	-179.6	-71.7	166.5	0	0	0	111.3	A99 S105 V106 I107 I724 I727	A99-L103 HydrophobicContact CB-CD1 4.48Å; A99-L103 VanDerWaalsContact O-CB 3.24Å; A99-L103 WeakPolarHBondContact O-CB 3.37Å; A99-L103 WeakPolarHBondContact O-CD1 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.21Å; A99-L103 PolarHBondContact O-N 3.01Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 2.87Å; L103-V106 PolarHBondContact O-N 3.22Å; L103-I107 HydrophobicContact CB-CD1 4.26Å; L103-I107 VanDerWaalsContact O-CB 3.26Å; L103-I107 WeakPolarHBondContact O-CB 3.23Å; L103-I107 WeakPolarHBondContact O-CD1 3.12Å; L103-I107 WeakPolarHBondContact O-CG1 3.25Å; L103-I107 PolarHBondContact O-N 3.18Å; L103-I724 HydrophobicContact CD1-CG1 3.94Å; L103-I727 HydrophobicContact CD1-CB 4.15Å; L103-I727 HydrophobicContact CD1-CG2 3.71Å
104	L	91	Very high	87.6	Confident	8 Å²	8	25 Å²	25	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-57.4	-47.3	175.3	-177.3	67.6	0	0	0	111.4	P100 E101 I107 E108 T123 V757	P100-L104 VanDerWaalsContact O-CB 3.26Å; P100-L104 WeakPolarHBondContact O-CB 3.21Å; P100-L104 PolarHBondContact O-N 3.46Å; E101-L104 PolarHBondContact O-N 2.86Å; L104-I107 PolarHBondContact O-N 3.36Å; L104-E108 VanDerWaalsContact O-CB 3.25Å; L104-E108 WeakPolarHBondContact O-CB 3.4Å; L104-E108 PolarHBondContact O-N 3.29Å; L104-T123 HydrophobicContact CD2-CG2 4.03Å; L104-V757 HydrophobicContact CD2-CG1 3.94Å
105	S	91.1	Very high	88.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-43.6	177.9	179.8	0	0	0	0	112.6	E101 I102 L103 V109 G797 A801	E101-S105 PolarHBondContact O-N 3.4Å; E101-S105 VanDerWaalsContact O-N 3.14Å; I102-S105 PolarHBondContact O-N 3.14Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 2.87Å; S105-V109 WeakPolarHBondContact O-CG2 3.39Å; S105-V109 PolarHBondContact O-N 3.12Å; S105-G797 PolarHBondContact OG-O 3.46Å; S105-A801 WeakPolarHBondContact OG-CB 3.41Å
106	V	92.3	Very high	88.3	Confident	35 Å²	35	30.8 Å²	30.8	21%	0.212	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-44.4	178.9	173.9	0	0	0	0	111.5	I102 L103 C110 V800 A801	I102-V106 WeakPolarHBondContact O-CG2 3.28Å; I102-V106 PolarHBondContact O-N 3.24Å; I102-V106 VanDerWaalsContact O-N 3.09Å; L103-V106 PolarHBondContact O-N 3.22Å; V106-C110 WeakPolarHBondContact O-CB 3.18Å; V106-C110 PolarHBondContact O-N 3.26Å; V106-C110 PolarHBondContact O-SG 2.98Å; V106-V800 HydrophobicContact CG2-CB 4.34Å; V106-V800 HydrophobicContact CG2-CG1 3.99Å; V106-A801 HydrophobicContact CG2-CB 4Å
107	I	91.2	Very high	88.5	Confident	38 Å²	38	31.3 Å²	31.3	20%	0.195	18%	0.178	C	C	.	.	H	α-helix	trans	-67.4	-42.2	-178.6	-69.4	166.4	0	0	0	110.8	I12 L103 L104 C110 G111 G728 A732	I12-I107 HydrophobicContact CD1-CG2 4.01Å; L103-I107 HydrophobicContact CB-CD1 4.26Å; L103-I107 VanDerWaalsContact O-CB 3.26Å; L103-I107 WeakPolarHBondContact O-CB 3.23Å; L103-I107 WeakPolarHBondContact O-CD1 3.12Å; L103-I107 WeakPolarHBondContact O-CG1 3.25Å; L103-I107 PolarHBondContact O-N 3.18Å; L104-I107 PolarHBondContact O-N 3.36Å; I107-C110 PolarHBondContact O-N 3.38Å; I107-G111 WeakPolarHBondContact O-CA 3.24Å; I107-G111 PolarHBondContact O-N 2.85Å; I107-G728 WeakPolarHBondContact CD1-O 3.42Å; I107-A732 HydrophobicContact CD1-CB 4.35Å; I107-A732 HydrophobicContact CG2-CB 3.95Å
108	E	90.2	Very high	88.8	Confident	15 Å²	15	35.7 Å²	35.7	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-46.8	178.8	-172.5	-172.9	-165.3	0	0	111.2	L104 G111 H112 G117 Q118 L119 G120	L104-E108 VanDerWaalsContact O-CB 3.25Å; L104-E108 WeakPolarHBondContact O-CB 3.4Å; L104-E108 PolarHBondContact O-N 3.29Å; E108-G111 PolarHBondContact O-N 3.41Å; E108-H112 WeakPolarHBondContact O-CB 3.45Å; E108-H112 PolarHBondContact O-N 3Å; E108-G117 VanDerWaalsContact CD-CA 3.42Å; E108-G117 WeakPolarHBondContact OE1-CA 3.47Å; E108-Q118 PolarHBondContact OE1-N 3.02Å; E108-Q118 VanDerWaalsContact OE1-N 3.11Å; E108-L119 VanDerWaalsContact OE1-CB 3.26Å; E108-L119 WeakPolarHBondContact OE1-CB 3.38Å; E108-L119 PolarHBondContact OE1-N 3.42Å; E108-G120 VanDerWaalsContact OE2-CA 3.27Å; E108-G120 WeakPolarHBondContact OE2-CA 3.33Å; E108-G120 PolarHBondContact OE2-N 3.47Å
109	V	91	Very high	88.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-47.4	177.6	169	0	0	0	0	111	S105 F114 A801 A805	S105-V109 WeakPolarHBondContact O-CG2 3.39Å; S105-V109 PolarHBondContact O-N 3.12Å; V109-F114 WeakPolarHBondContact O-CA 3.36Å; V109-F114 PolarHBondContact O-N 3.24Å; V109-A801 HydrophobicContact CB-CB 4.46Å; V109-A801 HydrophobicContact CG2-CB 4.1Å; V109-A805 HydrophobicContact CG1-CB 3.65Å
110	C	90.4	Very high	88.6	Confident	57 Å²	57	36 Å²	36	39%	0.385	20%	0.2	S	C	.	.	H	α-helix	trans	-66.5	-38	178.8	-70.8	0	0	0	0	112.6	V106 I107	V106-C110 WeakPolarHBondContact O-CB 3.18Å; V106-C110 PolarHBondContact O-N 3.26Å; V106-C110 PolarHBondContact O-SG 2.98Å; I107-C110 PolarHBondContact O-N 3.38Å
111	G	86.8	Confident	88.6	Confident	34 Å²	34	36 Å²	36	35%	0.351	20%	0.2	S	C	.	.	H	α-helix	trans	-72	-33.2	-179.2	0	0	0	0	0	113.3	I107 E108 N113	I107-G111 WeakPolarHBondContact O-CA 3.24Å; I107-G111 PolarHBondContact O-N 2.85Å; E108-G111 PolarHBondContact O-N 3.41Å; G111-N113 VanDerWaalsContact C-N 3.29Å; G111-N113 PolarHBondContact O-N 3.24Å
112	H	86.8	Confident	88.6	Confident	77 Å²	77	36.2 Å²	36.2	36%	0.356	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	38.9	176.9	-64.2	167.4	0	0	0	113	E108 F114 E115	E108-H112 WeakPolarHBondContact O-CB 3.45Å; E108-H112 PolarHBondContact O-N 3Å; H112-F114 VanDerWaalsContact C-N 3.27Å; H112-F114 PolarHBondContact O-N 2.86Å; H112-E115 WeakPolarHBondContact O-CB 3.23Å; H112-E115 PolarHBondContact O-N 3.49Å
113	N	88.6	Confident	88.6	Confident	119 Å²	119	35.5 Å²	35.5	64%	0.636	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.1	176.7	-62.9	-66.1	0	0	0	114.7	G111 E115	G111-N113 VanDerWaalsContact C-N 3.29Å; G111-N113 PolarHBondContact O-N 3.24Å; N113-E115 VanDerWaalsContact C-N 3.26Å; N113-E115 PolarHBondContact O-N 3.2Å
114	F	90.6	Very high	88.5	Confident	49 Å²	49	33.9 Å²	33.9	22%	0.215	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	20.6	-177.3	-52.9	-89.1	0	0	0	114.4	V109 H112 V804 A805 Y808 W809 F816	V109-F114 WeakPolarHBondContact O-CA 3.36Å; V109-F114 PolarHBondContact O-N 3.24Å; H112-F114 VanDerWaalsContact C-N 3.27Å; H112-F114 PolarHBondContact O-N 2.86Å; F114-V804 HydrophobicContact CD1-CG1 4.06Å; F114-V804 HydrophobicContact CE1-CG1 3.68Å; F114-A805 HydrophobicContact CB-CB 4.33Å; F114-Y808 HydrophobicContact CB-CD1 3.44Å; F114-Y808 VanDerWaalsContact CB-CD1 3.44Å; F114-Y808 HydrophobicContact CB-CE1 3.72Å; F114-Y808 HydrophobicContact CB-CG 4.1Å; F114-Y808 HydrophobicContact CD1-CD1 4.32Å; F114-Y808 HydrophobicContact CD1-CG 4.12Å; F114-Y808 AromaticContact CD2-CD1 3.59Å; F114-Y808 HydrophobicContact CD2-CD1 3.59Å; F114-Y808 AromaticContact CD2-CD2 3.81Å; F114-Y808 HydrophobicContact CD2-CD2 3.81Å; F114-Y808 AromaticContact CD2-CE1 3.39Å; F114-Y808 HydrophobicContact CD2-CE1 3.39Å; F114-Y808 AromaticContact CD2-CE2 3.65Å; F114-Y808 HydrophobicContact CD2-CE2 3.65Å; F114-Y808 AromaticContact CD2-CG 3.75Å; F114-Y808 HydrophobicContact CD2-CG 3.75Å; F114-Y808 AromaticContact CD2-CZ 3.37Å; F114-Y808 HydrophobicContact CE2-CD1 4.42Å; F114-Y808 AromaticContact CE2-CD2 3.82Å; F114-Y808 HydrophobicContact CE2-CD2 3.82Å; F114-Y808 HydrophobicContact CE2-CE1 4.25Å; F114-Y808 AromaticContact CE2-CE2 3.64Å; F114-Y808 HydrophobicContact CE2-CE2 3.64Å; F114-Y808 HydrophobicContact CE2-CG 4.18Å; F114-Y808 AromaticContact CE2-CZ 3.81Å; F114-Y808 AromaticContact CG-CD1 3.52Å; F114-Y808 HydrophobicContact CG-CD1 3.52Å; F114-Y808 HydrophobicContact CG-CD2 4.21Å; F114-Y808 AromaticContact CG-CE1 3.77Å; F114-Y808 HydrophobicContact CG-CE1 3.77Å; F114-Y808 HydrophobicContact CG-CE2 4.45Å; F114-Y808 AromaticContact CG-CG 3.71Å; F114-Y808 HydrophobicContact CG-CG 3.71Å; F114-Y808 HydrophobicContact CZ-CD2 4.23Å; F114-Y808 HydrophobicContact CZ-CE2 4.43Å; F114-W809 PolarHBondContact O-NE1 3.4Å; F114-F816 WeakPolarHBondContact O-CE2 3.1Å
115	E	88	Confident	88.6	Confident	122 Å²	122	33.5 Å²	33.5	57%	0.57	19%	0.189	S	C	*	.			trans	-84.5	153.2	168.6	-62.1	-171.9	172.3	0	0	111.1	H112 N113 G117 W809	H112-E115 WeakPolarHBondContact O-CB 3.23Å; H112-E115 PolarHBondContact O-N 3.49Å; N113-E115 VanDerWaalsContact C-N 3.26Å; N113-E115 PolarHBondContact O-N 3.2Å; E115-G117 PolarHBondContact O-N 2.84Å; E115-W809 HydrophobicContact CG-CZ2 4.16Å
116	A	83.9	Confident	88.6	Confident	31 Å²	31	33.5 Å²	33.5	26%	0.256	19%	0.189	S	C	.	.			trans	-74.2	113	-179.6	0	0	0	0	0	110.5	F816 V818	A116-F816 HydrophobicContact CB-CE2 3.88Å; A116-F816 HydrophobicContact CB-CZ 3.76Å; A116-V818 HydrophobicContact CB-CB 4.29Å; A116-V818 HydrophobicContact CB-CG1 4.07Å; A116-V818 HydrophobicContact CB-CG2 3.87Å
117	G	82.6	Confident	88.6	Confident	12 Å²	12	31.9 Å²	31.9	12%	0.124	18%	0.179	C	C	.	.			trans	-73.3	162.5	172.3	0	0	0	0	0	113.3	E108 E115 P121	E108-G117 VanDerWaalsContact CD-CA 3.42Å; E108-G117 WeakPolarHBondContact OE1-CA 3.47Å; E115-G117 PolarHBondContact O-N 2.84Å; G117-P121 WeakPolarHBondContact O-CD 3.13Å
118	Q	82.9	Confident	88.6	Confident	93 Å²	93	30 Å²	30	44%	0.435	17%	0.169	S	C	.	.	S	Bend	trans	-100.4	-22	177.8	-67.8	-170.4	-5.1	0	0	112.4	E108 G122 T750	E108-Q118 PolarHBondContact OE1-N 3.02Å; E108-Q118 VanDerWaalsContact OE1-N 3.11Å; Q118-G122 PolarHBondContact O-N 2.65Å; Q118-T750 HydrophobicContact CB-CG2 3.87Å; Q118-T750 HydrophobicContact CG-CG2 4.28Å
119	L	84.5	Confident	88.7	Confident	9 Å²	9	29.3 Å²	29.3	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-77.9	-45.1	-171.7	-151.8	83.5	0	0	0	111.1	E108 T123 A738 D749 A753	E108-L119 VanDerWaalsContact OE1-CB 3.26Å; E108-L119 WeakPolarHBondContact OE1-CB 3.38Å; E108-L119 PolarHBondContact OE1-N 3.42Å; L119-T123 VanDerWaalsContact O-CB 3.25Å; L119-T123 WeakPolarHBondContact O-CB 3.46Å; L119-T123 PolarHBondContact O-N 3.1Å; L119-T123 PolarHBondContact O-OG1 3.01Å; L119-A738 HydrophobicContact CD2-CB 4.23Å; L119-D749 HydrophobicContact CD1-CB 3.9Å; L119-D749 WeakPolarHBondContact CD1-O 3.35Å; L119-A753 HydrophobicContact CD1-CB 4Å; L119-A753 HydrophobicContact CG-CB 4.11Å; L119-A753 WeakPolarHBondContact O-CB 3.43Å
120	G	87.1	Confident	88.9	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-59	-178.4	0	0	0	0	0	112.6	E108 G122 T123 I124	E108-G120 VanDerWaalsContact OE2-CA 3.27Å; E108-G120 WeakPolarHBondContact OE2-CA 3.33Å; E108-G120 PolarHBondContact OE2-N 3.47Å; G120-G122 VanDerWaalsContact C-N 3.28Å; G120-G122 PolarHBondContact O-N 3.13Å; G120-T123 PolarHBondContact O-N 2.83Å; G120-T123 VanDerWaalsContact O-N 3.14Å; G120-I124 PolarHBondContact O-N 3.4Å
121	P	88.8	Confident	88.9	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-38.6	174.6	-25.2	35.1	0	0	0	112.7	G117 I124 V125 W802 L823	G117-P121 WeakPolarHBondContact O-CD 3.13Å; P121-I124 PolarHBondContact O-N 3.36Å; P121-V125 WeakPolarHBondContact O-CG2 3.43Å; P121-V125 PolarHBondContact O-N 3.48Å; P121-V125 VanDerWaalsContact O-N 3.14Å; P121-W802 HydrophobicContact CG-CZ2 4.33Å; P121-L823 HydrophobicContact CB-CD1 3.87Å; P121-L823 HydrophobicContact CB-CD2 3.7Å; P121-L823 HydrophobicContact CB-CG 4.46Å
122	G	89.1	Confident	89.2	Confident	7 Å²	7	25.8 Å²	25.8	7%	0.072	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-41.9	174.8	0	0	0	0	0	112.9	Q118 G120 G126 V754	Q118-G122 PolarHBondContact O-N 2.65Å; G120-G122 VanDerWaalsContact C-N 3.28Å; G120-G122 PolarHBondContact O-N 3.13Å; G122-G126 PolarHBondContact O-N 3.02Å; G122-V754 WeakPolarHBondContact O-CG2 3.34Å
123	T	90.9	Very high	89.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.9	-42.4	177	-60.2	0	0	0	0	111	E101 L104 L119 G120 G126 S127 V757	E101-T123 HydrophobicContact CG-CG2 4.19Å; L104-T123 HydrophobicContact CD2-CG2 4.03Å; L119-T123 VanDerWaalsContact O-CB 3.25Å; L119-T123 WeakPolarHBondContact O-CB 3.46Å; L119-T123 PolarHBondContact O-N 3.1Å; L119-T123 PolarHBondContact O-OG1 3.01Å; G120-T123 PolarHBondContact O-N 2.83Å; G120-T123 VanDerWaalsContact O-N 3.14Å; T123-G126 PolarHBondContact O-N 3.45Å; T123-S127 VanDerWaalsContact O-CB 3.29Å; T123-S127 WeakPolarHBondContact O-CB 3.24Å; T123-S127 PolarHBondContact O-N 3.03Å; T123-S127 PolarHBondContact O-OG 2.8Å; T123-S127 VanDerWaalsContact O-OG 3.1Å; T123-V757 HydrophobicContact CG2-CB 4.28Å; T123-V757 HydrophobicContact CG2-CG1 3.74Å
124	I	91.8	Very high	89.8	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.2	-45.6	178.3	-76	170.2	0	0	0	111.9	E101 G120 P121 S127 A128 N793 V794 I798	E101-I124 HydrophobicContact CB-CG1 4.2Å; G120-I124 PolarHBondContact O-N 3.4Å; P121-I124 PolarHBondContact O-N 3.36Å; I124-S127 PolarHBondContact O-OG 3.38Å; I124-S127 VanDerWaalsContact O-OG 3.13Å; I124-A128 WeakPolarHBondContact O-CB 3.34Å; I124-A128 PolarHBondContact O-N 3.43Å; I124-N793 HydrophobicContact CG2-CB 3.82Å; I124-V794 HydrophobicContact CG2-CG2 4.11Å; I124-I798 HydrophobicContact CD1-CD1 4.4Å; I124-I798 HydrophobicContact CD1-CG1 3.63Å; I124-I798 HydrophobicContact CG2-CD1 3.99Å; I124-I798 HydrophobicContact CG2-CG1 4.26Å
125	V	91.4	Very high	89.9	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-73.6	-38.5	179.5	-175.5	0	0	0	0	111	P121 A128 A129 Y168 L171 L823 V827 F830 Y874	P121-V125 WeakPolarHBondContact O-CG2 3.43Å; P121-V125 PolarHBondContact O-N 3.48Å; P121-V125 VanDerWaalsContact O-N 3.14Å; V125-A128 WeakPolarHBondContact O-CB 3.28Å; V125-A128 PolarHBondContact O-N 3.14Å; V125-A129 PolarHBondContact O-N 3.47Å; V125-A129 VanDerWaalsContact O-N 3.12Å; V125-Y168 HydrophobicContact CG1-CE1 4.5Å; V125-Y168 HydrophobicContact CG2-CD1 4.37Å; V125-Y168 HydrophobicContact CG2-CE1 4.18Å; V125-L171 HydrophobicContact CG2-CD2 4.26Å; V125-L823 HydrophobicContact CG2-CD1 3.79Å; V125-V827 HydrophobicContact CG1-CG2 3.97Å; V125-V827 HydrophobicContact CG2-CG2 3.65Å; V125-F830 HydrophobicContact CG1-CB 4.43Å; V125-Y874 WeakPolarHBondContact CG1-OH 3.44Å
126	G	92	Very high	90.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.3	-44.2	176.1	0	0	0	0	0	112.8	G122 T123 A128 A129 F130 A758	G122-G126 PolarHBondContact O-N 3.02Å; T123-G126 PolarHBondContact O-N 3.45Å; G126-A128 VanDerWaalsContact C-N 3.31Å; G126-A128 PolarHBondContact O-N 3.35Å; G126-A129 PolarHBondContact O-N 2.94Å; G126-F130 PolarHBondContact O-N 3.29Å; G126-A758 VanDerWaalsContact C-CB 3.47Å
127	S	91.2	Very high	90.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-67.3	-35	179	68.1	0	0	0	0	110.7	T123 I124 A129 F130 N131 A758 N793	T123-S127 VanDerWaalsContact O-CB 3.29Å; T123-S127 WeakPolarHBondContact O-CB 3.24Å; T123-S127 PolarHBondContact O-N 3.03Å; T123-S127 PolarHBondContact O-OG 2.8Å; T123-S127 VanDerWaalsContact O-OG 3.1Å; I124-S127 PolarHBondContact O-OG 3.38Å; I124-S127 VanDerWaalsContact O-OG 3.13Å; S127-A129 PolarHBondContact O-N 3.25Å; S127-F130 PolarHBondContact O-N 3.28Å; S127-N131 VanDerWaalsContact O-CB 3.22Å; S127-N131 WeakPolarHBondContact O-CB 3.4Å; S127-N131 PolarHBondContact O-N 2.95Å; S127-N131 PolarHBondContact O-OD1 3.27Å; S127-A758 VanDerWaalsContact N-CB 3.34Å; S127-N793 PolarHBondContact OG-ND2 3.26Å
128	A	91.7	Very high	91.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.7	-43.5	173	0	0	0	0	0	113.1	I124 V125 G126 M132 Y168 N790 F830	I124-A128 WeakPolarHBondContact O-CB 3.34Å; I124-A128 PolarHBondContact O-N 3.43Å; V125-A128 WeakPolarHBondContact O-CB 3.28Å; V125-A128 PolarHBondContact O-N 3.14Å; G126-A128 VanDerWaalsContact C-N 3.31Å; G126-A128 PolarHBondContact O-N 3.35Å; A128-M132 VanDerWaalsContact O-CB 3.26Å; A128-M132 WeakPolarHBondContact O-CB 3.21Å; A128-M132 PolarHBondContact O-N 2.95Å; A128-Y168 HydrophobicContact CB-CE1 3.81Å; A128-Y168 HydrophobicContact CB-CE2 4.18Å; A128-Y168 WeakPolarHBondContact CB-OH 3.27Å; A128-N790 WeakPolarHBondContact CA-OD1 2.91Å; A128-N790 PolarHBondContact O-ND2 3.47Å; A128-F830 HydrophobicContact CB-CE1 4.46Å; A128-F830 HydrophobicContact CB-CE2 4.02Å; A128-F830 HydrophobicContact CB-CZ 3.92Å; A128-F830 WeakPolarHBondContact O-CE2 3.08Å
129	A	93.5	Very high	91.5	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-64.2	-45	175.3	0	0	0	0	0	111.3	V125 G126 S127 M132 F133 F830 Y874	V125-A129 PolarHBondContact O-N 3.47Å; V125-A129 VanDerWaalsContact O-N 3.12Å; G126-A129 PolarHBondContact O-N 2.94Å; S127-A129 PolarHBondContact O-N 3.25Å; A129-M132 PolarHBondContact O-N 3.34Å; A129-F133 HydrophobicContact CB-CD2 4.06Å; A129-F133 HydrophobicContact CB-CE2 3.84Å; A129-F133 VanDerWaalsContact O-CB 3.3Å; A129-F133 WeakPolarHBondContact O-CB 3.26Å; A129-F133 WeakPolarHBondContact O-CD2 3.33Å; A129-F133 VanDerWaalsContact O-CG 3.25Å; A129-F133 WeakPolarHBondContact O-CG 3.43Å; A129-F133 PolarHBondContact O-N 3.26Å; A129-F830 HydrophobicContact CB-CD2 3.86Å; A129-F830 HydrophobicContact CB-CE2 4.39Å; A129-Y874 HydrophobicContact CB-CD1 3.71Å; A129-Y874 HydrophobicContact CB-CD2 4.43Å; A129-Y874 HydrophobicContact CB-CE1 3.51Å; A129-Y874 HydrophobicContact CB-CE2 4.27Å; A129-Y874 HydrophobicContact CB-CG 4.18Å
130	F	93.4	Very high	91.8	Very high	15 Å²	15	4.3 Å²	4.3	7%	0.066	2%	0.024	C	C	.	.	I	π-helix	trans	-62.8	-47.1	176.8	-173.5	-86.7	0	0	0	111.7	G126 S127 M132 V134 I135 L759 T766 W871	G126-F130 PolarHBondContact O-N 3.29Å; S127-F130 PolarHBondContact O-N 3.28Å; F130-M132 PolarHBondContact O-N 2.82Å; F130-V134 HydrophobicContact CD1-CB 4.36Å; F130-V134 HydrophobicContact CD2-CB 3.95Å; F130-V134 HydrophobicContact CD2-CG1 4.34Å; F130-V134 HydrophobicContact CD2-CG2 3.7Å; F130-V134 HydrophobicContact CE1-CB 4.32Å; F130-V134 HydrophobicContact CE1-CG1 4.31Å; F130-V134 HydrophobicContact CE2-CB 3.88Å; F130-V134 HydrophobicContact CE2-CG1 3.75Å; F130-V134 HydrophobicContact CE2-CG2 3.89Å; F130-V134 HydrophobicContact CG-CB 4.2Å; F130-V134 HydrophobicContact CG-CG2 4.25Å; F130-V134 HydrophobicContact CZ-CB 4.08Å; F130-V134 HydrophobicContact CZ-CG1 3.74Å; F130-V134 WeakPolarHBondContact O-CA 3.42Å; F130-V134 VanDerWaalsContact O-CB 3.3Å; F130-V134 WeakPolarHBondContact O-CB 3.27Å; F130-V134 PolarHBondContact O-N 2.91Å; F130-I135 HydrophobicContact CD1-CD1 4.35Å; F130-I135 HydrophobicContact CD1-CG1 4.11Å; F130-I135 HydrophobicContact CE1-CD1 4.4Å; F130-I135 HydrophobicContact CE1-CG1 4Å; F130-I135 PolarHBondContact O-N 3.15Å; F130-L759 HydrophobicContact CD2-CG 4.47Å; F130-L759 HydrophobicContact CE2-CD1 3.91Å; F130-L759 HydrophobicContact CE2-CG 3.93Å; F130-L759 HydrophobicContact CZ-CG 4.34Å; F130-T766 WeakPolarHBondContact CE1-OG1 3.36Å; F130-W871 AromaticContact CD2-CE2 3.78Å; F130-W871 AromaticContact CD2-CZ2 3.78Å; F130-W871 HydrophobicContact CD2-CZ2 3.78Å; F130-W871 AromaticContact CD2-NE1 3.72Å; F130-W871 HydrophobicContact CE2-CZ2 4.14Å
131	N	91.9	Very high	92.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.045	C	C	.	.	I	π-helix	trans	-61.4	-45.6	178.6	-71	-0.4	0	0	0	111.2	S127 I135 S762 V786	S127-N131 VanDerWaalsContact O-CB 3.22Å; S127-N131 WeakPolarHBondContact O-CB 3.4Å; S127-N131 PolarHBondContact O-N 2.95Å; S127-N131 PolarHBondContact O-OD1 3.27Å; N131-I135 HydrophobicContact CB-CD1 4.11Å; N131-I135 WeakPolarHBondContact O-CB 3.4Å; N131-I135 WeakPolarHBondContact OD1-CD1 3.46Å; N131-S762 VanDerWaalsContact OD1-CB 3.25Å; N131-S762 WeakPolarHBondContact OD1-CB 3.44Å; N131-S762 PolarHBondContact OD1-OG 3.39Å; N131-V786 HydrophobicContact CB-CG1 4.03Å; N131-V786 VanDerWaalsContact O-CG1 3.27Å; N131-V786 WeakPolarHBondContact O-CG1 3.42Å
132	M	91.6	Very high	92.1	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	5%	0.054	C	C	.	.	I	π-helix	trans	-72.7	-38.6	-177.3	-157.1	69	180	0	0	113	A128 A129 F130 I136 V786 T787 F830 M838	A128-M132 VanDerWaalsContact O-CB 3.26Å; A128-M132 WeakPolarHBondContact O-CB 3.21Å; A128-M132 PolarHBondContact O-N 2.95Å; A129-M132 PolarHBondContact O-N 3.34Å; F130-M132 PolarHBondContact O-N 2.82Å; M132-I136 HydrophobicContact CE-CD1 4.17Å; M132-I136 HydrophobicContact CG-CD1 4.4Å; M132-I136 WeakPolarHBondContact O-CB 3.39Å; M132-I136 VanDerWaalsContact O-CD1 3.3Å; M132-I136 WeakPolarHBondContact O-CD1 3.44Å; M132-I136 VanDerWaalsContact O-CG1 3.29Å; M132-I136 WeakPolarHBondContact O-CG1 3.19Å; M132-I136 HydrophobicContact SD-CD1 3.83Å; M132-V786 HydrophobicContact SD-CG1 3.79Å; M132-T787 HydrophobicContact CE-CG2 4.23Å; M132-T787 HydrophobicContact SD-CG2 4.4Å; M132-F830 HydrophobicContact CB-CE2 4.14Å; M132-M838 HydrophobicContact CE-CG 3.79Å; M132-M838 HydrophobicContact CE-SD 3.3Å; M132-M838 WeakPolarHBondContact CE-SD 3.24Å
133	F	94.4	Very high	92.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-97	-53.1	-172.4	-52.3	-36.5	0	0	0	112.1	A129 G137 F830 F833 C837 F867 W871	A129-F133 HydrophobicContact CB-CD2 4.06Å; A129-F133 HydrophobicContact CB-CE2 3.84Å; A129-F133 VanDerWaalsContact O-CB 3.3Å; A129-F133 WeakPolarHBondContact O-CB 3.26Å; A129-F133 WeakPolarHBondContact O-CD2 3.33Å; A129-F133 VanDerWaalsContact O-CG 3.25Å; A129-F133 WeakPolarHBondContact O-CG 3.43Å; A129-F133 PolarHBondContact O-N 3.26Å; F133-G137 PolarHBondContact O-N 3.47Å; F133-F830 HydrophobicContact CE2-CD2 4.09Å; F133-F830 AromaticContact CZ-CD2 3.89Å; F133-F830 HydrophobicContact CZ-CD2 3.89Å; F133-F830 HydrophobicContact CZ-CE2 4.14Å; F133-F833 HydrophobicContact CE1-CB 3.91Å; F133-F833 HydrophobicContact CE2-CB 4.03Å; F133-F833 HydrophobicContact CE2-CD2 4.46Å; F133-F833 HydrophobicContact CZ-CB 3.38Å; F133-C837 HydrophobicContact CD1-CB 4.21Å; F133-C837 HydrophobicContact CE1-CB 4.09Å; F133-F867 VanDerWaalsContact O-CB 3.3Å; F133-F867 WeakPolarHBondContact O-CB 3.37Å; F133-W871 HydrophobicContact CB-CB 3.96Å; F133-W871 HydrophobicContact CD2-CB 4.23Å
134	V	94.4	Very high	91.7	Very high	9 Å²	9	13.9 Å²	13.9	6%	0.055	7%	0.069	C	C	.	.	I	π-helix	trans	-75.6	-51.6	-174.1	-177.5	0	0	0	0	110.6	F130 I136 G137 I138 L868 W871	F130-V134 HydrophobicContact CD1-CB 4.36Å; F130-V134 HydrophobicContact CD2-CB 3.95Å; F130-V134 HydrophobicContact CD2-CG1 4.34Å; F130-V134 HydrophobicContact CD2-CG2 3.7Å; F130-V134 HydrophobicContact CE1-CB 4.32Å; F130-V134 HydrophobicContact CE1-CG1 4.31Å; F130-V134 HydrophobicContact CE2-CB 3.88Å; F130-V134 HydrophobicContact CE2-CG1 3.75Å; F130-V134 HydrophobicContact CE2-CG2 3.89Å; F130-V134 HydrophobicContact CG-CB 4.2Å; F130-V134 HydrophobicContact CG-CG2 4.25Å; F130-V134 HydrophobicContact CZ-CB 4.08Å; F130-V134 HydrophobicContact CZ-CG1 3.74Å; F130-V134 WeakPolarHBondContact O-CA 3.42Å; F130-V134 VanDerWaalsContact O-CB 3.3Å; F130-V134 WeakPolarHBondContact O-CB 3.27Å; F130-V134 PolarHBondContact O-N 2.91Å; V134-I136 PolarHBondContact O-N 3.44Å; V134-G137 PolarHBondContact O-N 2.82Å; V134-G137 VanDerWaalsContact O-N 3.17Å; V134-I138 HydrophobicContact CG1-CD1 3.8Å; V134-I138 HydrophobicContact CG1-CG1 4.44Å; V134-I138 WeakPolarHBondContact O-CG1 3.36Å; V134-I138 PolarHBondContact O-N 3.38Å; V134-L868 HydrophobicContact CB-CD2 4.44Å; V134-L868 HydrophobicContact CG1-CD2 4.04Å; V134-L868 HydrophobicContact CG2-CD2 4.23Å; V134-W871 HydrophobicContact CG2-CB 3.87Å; V134-W871 HydrophobicContact CG2-CD2 3.51Å; V134-W871 HydrophobicContact CG2-CE3 3.99Å; V134-W871 HydrophobicContact CG2-CG 3.45Å; V134-W871 VanDerWaalsContact CG2-CG 3.45Å
135	I	93.1	Very high	91.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.092	C	C	.	.	I	π-helix	trans	-63.4	-47.2	-176.6	-57.9	-176.6	0	0	0	110.9	F130 N131 G137 I138 C139 D765 T766 V786	F130-I135 HydrophobicContact CD1-CD1 4.35Å; F130-I135 HydrophobicContact CD1-CG1 4.11Å; F130-I135 HydrophobicContact CE1-CD1 4.4Å; F130-I135 HydrophobicContact CE1-CG1 4Å; F130-I135 PolarHBondContact O-N 3.15Å; N131-I135 HydrophobicContact CB-CD1 4.11Å; N131-I135 WeakPolarHBondContact O-CB 3.4Å; N131-I135 WeakPolarHBondContact OD1-CD1 3.46Å; I135-G137 VanDerWaalsContact C-N 3.31Å; I135-G137 PolarHBondContact O-N 3.09Å; I135-I138 PolarHBondContact O-N 3.05Å; I135-C139 PolarHBondContact O-N 2.87Å; I135-C139 PolarHBondContact O-SG 3.47Å; I135-D765 HydrophobicContact CD1-CB 3.91Å; I135-T766 HydrophobicContact CG1-CG2 4.33Å; I135-T766 WeakPolarHBondContact CG1-OG1 3.41Å; I135-V786 HydrophobicContact CB-CG2 4.29Å; I135-V786 HydrophobicContact CG2-CG2 3.97Å
136	I	92.3	Very high	90.4	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-40	176.2	-57.1	-173	0	0	0	110.6	M132 V134 I138 C139 V140 V786 L841 L853 F867	M132-I136 HydrophobicContact CE-CD1 4.17Å; M132-I136 HydrophobicContact CG-CD1 4.4Å; M132-I136 WeakPolarHBondContact O-CB 3.39Å; M132-I136 VanDerWaalsContact O-CD1 3.3Å; M132-I136 WeakPolarHBondContact O-CD1 3.44Å; M132-I136 VanDerWaalsContact O-CG1 3.29Å; M132-I136 WeakPolarHBondContact O-CG1 3.19Å; M132-I136 HydrophobicContact SD-CD1 3.83Å; V134-I136 PolarHBondContact O-N 3.44Å; I136-I138 VanDerWaalsContact C-N 3.32Å; I136-I138 PolarHBondContact O-N 3.28Å; I136-C139 PolarHBondContact O-N 3.11Å; I136-V140 HydrophobicContact CG2-CG2 4.5Å; I136-V140 WeakPolarHBondContact O-CG2 3.13Å; I136-V140 PolarHBondContact O-N 3.25Å; I136-V786 HydrophobicContact CD1-CG1 4.03Å; I136-V786 HydrophobicContact CG1-CG1 4.16Å; I136-V786 HydrophobicContact CG1-CG2 4.34Å; I136-L841 HydrophobicContact CD1-CD1 4.13Å; I136-L841 HydrophobicContact CG2-CD1 4.19Å; I136-L841 HydrophobicContact CG2-CD2 3.91Å; I136-L853 HydrophobicContact CG2-CD2 4.49Å; I136-F867 HydrophobicContact CB-CD2 4.43Å; I136-F867 HydrophobicContact CB-CE2 4.4Å; I136-F867 HydrophobicContact CG2-CD2 4.22Å; I136-F867 HydrophobicContact CG2-CE2 3.75Å
137	G	93.4	Very high	90	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-40	175.8	0	0	0	0	0	113.3	F133 V134 I135 W141 T864	F133-G137 PolarHBondContact O-N 3.47Å; V134-G137 PolarHBondContact O-N 2.82Å; V134-G137 VanDerWaalsContact O-N 3.17Å; I135-G137 VanDerWaalsContact C-N 3.31Å; I135-G137 PolarHBondContact O-N 3.09Å; G137-W141 PolarHBondContact O-N 3.46Å; G137-T864 WeakPolarHBondContact O-CG2 3.47Å; G137-T864 PolarHBondContact O-OG1 2.85Å
138	I	92.9	Very high	89.8	Confident	48 Å²	48	27.8 Å²	27.8	25%	0.246	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-46.4	173.2	-69.3	168.3	0	0	0	110.4	V134 I135 I136 V140 W141 V142 T766 K770	V134-I138 HydrophobicContact CG1-CD1 3.8Å; V134-I138 HydrophobicContact CG1-CG1 4.44Å; V134-I138 WeakPolarHBondContact O-CG1 3.36Å; V134-I138 PolarHBondContact O-N 3.38Å; I135-I138 PolarHBondContact O-N 3.05Å; I136-I138 VanDerWaalsContact C-N 3.32Å; I136-I138 PolarHBondContact O-N 3.28Å; I138-V140 PolarHBondContact O-N 3.4Å; I138-W141 PolarHBondContact O-N 3.12Å; I138-V142 HydrophobicContact CG2-CG2 3.79Å; I138-V142 WeakPolarHBondContact O-CB 3.35Å; I138-V142 VanDerWaalsContact O-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 3.27Å; I138-T766 HydrophobicContact CD1-CG2 3.59Å; I138-K770 HydrophobicContact CG2-CB 4.48Å; I138-K770 HydrophobicContact CG2-CG 4.47Å
139	C	91.8	Very high	89.7	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-35.1	178.2	-65.7	0	0	0	0	111.8	I135 I136 I143 S769 A773 L853	I135-C139 PolarHBondContact O-N 2.87Å; I135-C139 PolarHBondContact O-SG 3.47Å; I136-C139 PolarHBondContact O-N 3.11Å; C139-I143 WeakPolarHBondContact O-CG1 3.43Å; C139-S769 PolarHBondContact SG-O 3.39Å; C139-A773 HydrophobicContact CB-CB 4.08Å; C139-L853 HydrophobicContact CB-CD1 4.2Å; C139-L853 HydrophobicContact CB-CD2 4.06Å
140	V	92.1	Very high	89.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-43.3	172.1	168.3	0	0	0	0	111	I136 I138 L853 G854 R860 T863	I136-V140 HydrophobicContact CG2-CG2 4.5Å; I136-V140 WeakPolarHBondContact O-CG2 3.13Å; I136-V140 PolarHBondContact O-N 3.25Å; I138-V140 PolarHBondContact O-N 3.4Å; V140-L853 HydrophobicContact CG2-CD2 3.65Å; V140-G854 PolarHBondContact O-N 3.14Å; V140-R860 HydrophobicContact CG1-CG 3.81Å; V140-R860 VanDerWaalsContact O-CD 3.22Å; V140-R860 WeakPolarHBondContact O-CD 3.22Å; V140-R860 WeakPolarHBondContact O-CG 3.29Å; V140-T863 HydrophobicContact CG1-CG2 4.3Å; V140-T863 HydrophobicContact CG2-CG2 4.38Å
141	W	92	Very high	89	Confident	116 Å²	116	34 Å²	34	44%	0.439	19%	0.189	S	C	.	.	H	α-helix	trans	-72.6	-37.3	-175.8	180	-104.6	0	0	0	114.1	G137 I138 I143 R860 L861 T864	G137-W141 PolarHBondContact O-N 3.46Å; I138-W141 PolarHBondContact O-N 3.12Å; W141-I143 VanDerWaalsContact C-N 3.32Å; W141-I143 PolarHBondContact O-N 3.11Å; W141-R860 VanDerWaalsContact CD2-NH2 3.34Å; W141-R860 VanDerWaalsContact CE2-NH2 3.25Å; W141-R860 HydrophobicContact CE3-CG 4.17Å; W141-R860 VanDerWaalsContact CZ3-NH2 3.3Å; W141-R860 WeakPolarHBondContact O-CD 3.16Å; W141-R860 PolarHBondContact O-NE 3.25Å; W141-R860 PolarHBondContact O-NH1 2.85Å; W141-R860 PolarHBondContact O-NH2 3.28Å; W141-L861 HydrophobicContact CH2-CD1 4.42Å; W141-L861 HydrophobicContact CZ3-CB 4.23Å; W141-L861 HydrophobicContact CZ3-CD1 3.92Å; W141-T864 HydrophobicContact CB-CG2 4.16Å
142	V	89.7	Confident	88.5	Confident	35 Å²	35	39.7 Å²	39.7	21%	0.212	21%	0.214	C	C	.	.	H	α-helix	trans	-75.6	-20.3	-167.4	169.2	0	0	0	0	113	I138 K770 I774	I138-V142 HydrophobicContact CG2-CG2 3.79Å; I138-V142 WeakPolarHBondContact O-CB 3.35Å; I138-V142 VanDerWaalsContact O-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 3.27Å; V142-K770 HydrophobicContact CB-CG 4.31Å; V142-K770 HydrophobicContact CG1-CD 4.45Å; V142-K770 HydrophobicContact CG1-CG 3.86Å; V142-K770 HydrophobicContact CG2-CD 4.19Å; V142-K770 HydrophobicContact CG2-CG 4.01Å; V142-I774 HydrophobicContact CG1-CD1 3.41Å; V142-I774 VanDerWaalsContact CG1-CD1 3.41Å; V142-I774 HydrophobicContact CG1-CG1 3.34Å
143	I	88.1	Confident	87.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.231	C	C	.	.	S	Bend	trans	-59.4	130.1	176.8	-56.4	-57.5	0	0	0	110.9	C139 W141 Q147 R149 A773 L853 R860	C139-I143 WeakPolarHBondContact O-CG1 3.43Å; W141-I143 VanDerWaalsContact C-N 3.32Å; W141-I143 PolarHBondContact O-N 3.11Å; I143-Q147 HydrophobicContact CG2-CB 3.78Å; I143-Q147 VanDerWaalsContact CG2-O 3.3Å; I143-Q147 WeakPolarHBondContact CG2-O 2.96Å; I143-R149 HydrophobicContact CD1-CG 3.81Å; I143-R149 HydrophobicContact CG1-CG 4.46Å; I143-A773 HydrophobicContact CD1-CB 4.07Å; I143-A773 WeakPolarHBondContact CD1-O 3.23Å; I143-L853 HydrophobicContact CG1-CB 4.14Å; I143-R860 PolarHBondContact O-NH1 2.81Å
144	P	83.4	Confident	87.3	Confident	59 Å²	59	44.8 Å²	44.8	38%	0.383	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-54.7	153.9	177.8	-27.5	35	0	0	0	114.2	G146 Q147	P144-G146 PolarHBondContact O-N 3.09Å; P144-Q147 PolarHBondContact O-N 2.67Å
145	N	80	Confident	86.8	Confident	89 Å²	89	49.1 Å²	49.1	48%	0.476	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	129.8	-179	-68.6	-54.3	0	0	0	111.1	Q147 R857	N145-Q147 VanDerWaalsContact C-N 3.31Å; N145-R857 PolarHBondContact ND2-NH2 2.68Å; N145-R857 WeakPolarHBondContact OD1-CG 3.4Å; N145-R857 PolarHBondContact OD1-NE 3.48Å
146	G	74.6	Confident	86.3	Confident	79 Å²	79	50.1 Å²	50.1	81%	0.814	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-8.7	178	0	0	0	0	0	114.6	P144	P144-G146 PolarHBondContact O-N 3.09Å
147	Q	85.4	Confident	86	Confident	83 Å²	83	50.6 Å²	50.6	39%	0.388	26%	0.262	S	S	.	.			trans	-97.7	146.9	173.2	-61.1	-170.8	13.7	0	0	111.3	I143 P144 N145 G855	I143-Q147 HydrophobicContact CG2-CB 3.78Å; I143-Q147 VanDerWaalsContact CG2-O 3.3Å; I143-Q147 WeakPolarHBondContact CG2-O 2.96Å; P144-Q147 PolarHBondContact O-N 2.67Å; N145-Q147 VanDerWaalsContact C-N 3.31Å; Q147-G855 PolarHBondContact O-N 3.37Å
148	S	86.9	Confident	85.7	Confident	43 Å²	43	55.4 Å²	55.4	30%	0.301	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.6	168.2	62.9	0	0	0	0	109.6	G850 L853	S148-G850 PolarHBondContact OG-O 2.79Å; S148-L853 WeakPolarHBondContact CA-O 3.44Å
149	R	88.4	Confident	85.5	Confident	38 Å²	38	55 Å²	55	14%	0.143	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137	175.8	-55.3	-67.6	-172.5	-110.2	-2.8	108.9	I143 D776 Q777 A779 E852 L853	I143-R149 HydrophobicContact CD1-CG 3.81Å; I143-R149 HydrophobicContact CG1-CG 4.46Å; R149-D776 WeakPolarHBondContact CD-O 3.47Å; R149-D776 PolarHBondContact NE-O 2.95Å; R149-Q777 WeakPolarHBondContact CD-O 3.26Å; R149-A779 HydrophobicContact CB-CB 4.19Å; R149-E852 PolarHBondContact O-N 2.86Å; R149-L853 HydrophobicContact CB-CB 4.22Å; R149-L853 PolarHBondContact N-O 3.09Å; R149-L853 PolarHBondContact O-N 3.38Å
150	K	88.2	Confident	85.3	Confident	100 Å²	100	55.3 Å²	55.3	44%	0.435	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-116.1	151.5	178.2	-64.2	-176.8	-176.3	173.9	0	111.3	H778 A779 G850 E852	K150-H778 WeakPolarHBondContact O-CA 3.38Å; K150-A779 PolarHBondContact O-N 3.04Å; K150-G850 WeakPolarHBondContact CE-O 3.21Å; K150-E852 WeakPolarHBondContact CA-OE2 3.41Å
151	I	84.8	Confident	85.2	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.031	29%	0.285	C	S	.	.			trans	-77.9	123.2	172	-59.9	177.5	0	0	0	108.2	L154 F157 A779 D780 V783 E852	I151-L154 HydrophobicContact CB-CD2 4.41Å; I151-L154 HydrophobicContact CG2-CD2 4.38Å; I151-F157 HydrophobicContact CD1-CD1 4.06Å; I151-F157 HydrophobicContact CD1-CD2 3.63Å; I151-F157 HydrophobicContact CD1-CE1 4.02Å; I151-F157 HydrophobicContact CD1-CE2 3.6Å; I151-F157 HydrophobicContact CD1-CG 3.84Å; I151-F157 HydrophobicContact CD1-CZ 3.77Å; I151-F157 HydrophobicContact CG2-CB 3.93Å; I151-F157 HydrophobicContact CG2-CG 4.21Å; I151-A779 HydrophobicContact CG1-CB 3.81Å; I151-D780 VanDerWaalsContact CG2-OD1 3.28Å; I151-D780 WeakPolarHBondContact CG2-OD1 3.13Å; I151-V783 HydrophobicContact CD1-CB 4.41Å; I151-V783 HydrophobicContact CD1-CG1 4.26Å; I151-E852 HydrophobicContact CD1-CG 4.31Å; I151-E852 HydrophobicContact CG1-CG 4.33Å
152	K	81.8	Confident	85.3	Confident	121 Å²	121	55.8 Å²	55.8	53%	0.526	29%	0.289	S	S	.	.	S	Bend	trans	-80.7	-46	179.2	-177	179	-177	174.9	0	111.2	L154 D780	K152-L154 PolarHBondContact O-N 3.3Å; K152-D780 WeakPolarHBondContact CB-OD2 3.29Å; K152-D780 PolarHBondContact N-OD1 2.92Å; K152-D780 PolarHBondContact N-OD2 3.07Å
153	H	77.9	Confident	85.4	Confident	81 Å²	81	55 Å²	55	38%	0.375	28%	0.282	S	S	.	.			trans	-97.7	66.3	-172.6	-64.9	-93.3	0	0	0	112.3	R155 V156 F157 D780	H153-R155 VanDerWaalsContact C-N 3.25Å; H153-R155 PolarHBondContact O-N 2.89Å; H153-R155 VanDerWaalsContact O-N 3.1Å; H153-V156 HydrophobicContact CB-CB 4.38Å; H153-V156 HydrophobicContact CB-CG2 4.36Å; H153-V156 PolarHBondContact O-N 3.27Å; H153-V156 VanDerWaalsContact O-N 3.15Å; H153-F157 PolarHBondContact O-N 2.9Å; H153-D780 IonicContact CD2-OD1 2.8Å; H153-D780 PolarHBondContact N-OD1 2.84Å
154	L	82.3	Confident	85.6	Confident	27 Å²	27	55 Å²	55	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-53.5	-36.8	-176.1	-63	172.4	0	0	0	115	I151 K152 F157 F158 R845	I151-L154 HydrophobicContact CB-CD2 4.41Å; I151-L154 HydrophobicContact CG2-CD2 4.38Å; K152-L154 PolarHBondContact O-N 3.3Å; L154-F157 WeakPolarHBondContact O-CB 3.46Å; L154-F157 PolarHBondContact O-N 3.48Å; L154-F158 HydrophobicContact CB-CD2 4.29Å; L154-F158 HydrophobicContact CB-CE2 4.08Å; L154-F158 WeakPolarHBondContact O-CD2 3.32Å; L154-F158 WeakPolarHBondContact O-CG 3.42Å; L154-F158 PolarHBondContact O-N 3.47Å; L154-R845 VanDerWaalsContact CD1-CZ 3.5Å; L154-R845 VanDerWaalsContact CD1-NH2 3.28Å
155	R	83.3	Confident	86	Confident	101 Å²	101	52.9 Å²	52.9	38%	0.381	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-44.8	-177.6	-67	177.4	-65.7	-174.5	-1	111.6	H153 F157 F158 I159 R208	H153-R155 VanDerWaalsContact C-N 3.25Å; H153-R155 PolarHBondContact O-N 2.89Å; H153-R155 VanDerWaalsContact O-N 3.1Å; R155-F157 VanDerWaalsContact C-N 3.34Å; R155-F158 PolarHBondContact O-N 3.24Å; R155-I159 PolarHBondContact O-N 3.4Å; R155-R208 VanDerWaalsContact NH2-NE 3.13Å
156	V	82.4	Confident	86.7	Confident	22 Å²	22	50.7 Å²	50.7	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-46.4	176.4	-178.4	0	0	0	0	108.4	T86 H153 F158 I159 T160 D206	T86-V156 HydrophobicContact CG2-CG1 3.91Å; H153-V156 HydrophobicContact CB-CB 4.38Å; H153-V156 HydrophobicContact CB-CG2 4.36Å; H153-V156 PolarHBondContact O-N 3.27Å; H153-V156 VanDerWaalsContact O-N 3.15Å; V156-F158 PolarHBondContact O-N 3.28Å; V156-I159 PolarHBondContact O-N 3.39Å; V156-I159 VanDerWaalsContact O-N 3.15Å; V156-T160 HydrophobicContact CG1-CG2 4.18Å; V156-T160 WeakPolarHBondContact O-CG2 3.48Å; V156-T160 PolarHBondContact O-N 2.79Å; V156-T160 PolarHBondContact O-OG1 3.07Å; V156-D206 HydrophobicContact CG2-CB 4.28Å
157	F	86.3	Confident	87.6	Confident	12 Å²	12	47 Å²	47	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-56.3	-44.2	176.1	172.5	-106.9	0	0	0	113.9	I151 H153 L154 R155 I159 T160 A161 V783 M838 L842	I151-F157 HydrophobicContact CD1-CD1 4.06Å; I151-F157 HydrophobicContact CD1-CD2 3.63Å; I151-F157 HydrophobicContact CD1-CE1 4.02Å; I151-F157 HydrophobicContact CD1-CE2 3.6Å; I151-F157 HydrophobicContact CD1-CG 3.84Å; I151-F157 HydrophobicContact CD1-CZ 3.77Å; I151-F157 HydrophobicContact CG2-CB 3.93Å; I151-F157 HydrophobicContact CG2-CG 4.21Å; H153-F157 PolarHBondContact O-N 2.9Å; L154-F157 WeakPolarHBondContact O-CB 3.46Å; L154-F157 PolarHBondContact O-N 3.48Å; R155-F157 VanDerWaalsContact C-N 3.34Å; F157-I159 VanDerWaalsContact C-N 3.31Å; F157-I159 PolarHBondContact O-N 3Å; F157-T160 PolarHBondContact O-N 3.12Å; F157-T160 PolarHBondContact O-OG1 3.12Å; F157-A161 HydrophobicContact CE2-CB 4.46Å; F157-A161 WeakPolarHBondContact O-CB 3.37Å; F157-A161 PolarHBondContact O-N 3.36Å; F157-V783 HydrophobicContact CD2-CG1 4.22Å; F157-V783 HydrophobicContact CE2-CG1 3.57Å; F157-V783 HydrophobicContact CZ-CG1 4.48Å; F157-M838 HydrophobicContact CE1-CE 3.79Å; F157-M838 HydrophobicContact CE2-CE 4.05Å; F157-M838 HydrophobicContact CZ-CE 3.3Å; F157-M838 HydrophobicContact CZ-SD 4.21Å; F157-L842 HydrophobicContact CE1-CD2 4.3Å
158	F	88.5	Confident	88	Confident	100 Å²	100	43 Å²	43	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-64	-37.8	178.3	-78.2	-59	0	0	0	112.3	L154 R155 V156 F162 L842	L154-F158 HydrophobicContact CB-CD2 4.29Å; L154-F158 HydrophobicContact CB-CE2 4.08Å; L154-F158 WeakPolarHBondContact O-CD2 3.32Å; L154-F158 WeakPolarHBondContact O-CG 3.42Å; L154-F158 PolarHBondContact O-N 3.47Å; R155-F158 PolarHBondContact O-N 3.24Å; V156-F158 PolarHBondContact O-N 3.28Å; F158-F162 WeakPolarHBondContact O-CB 3.47Å; F158-F162 PolarHBondContact O-N 3.33Å; F158-L842 HydrophobicContact CE1-CD1 4.37Å; F158-L842 HydrophobicContact CE1-CD2 4.07Å; F158-L842 HydrophobicContact CZ-CD2 4.24Å
159	I	88.7	Confident	88.3	Confident	40 Å²	40	43.7 Å²	43.7	21%	0.205	20%	0.196	C	C	.	.	H	α-helix	trans	-69.5	-49.4	177.3	-70.6	173.6	0	0	0	110.3	R155 V156 F157 A161 F162 W163 L201 A202 A205	R155-I159 PolarHBondContact O-N 3.4Å; V156-I159 PolarHBondContact O-N 3.39Å; V156-I159 VanDerWaalsContact O-N 3.15Å; F157-I159 VanDerWaalsContact C-N 3.31Å; F157-I159 PolarHBondContact O-N 3Å; I159-A161 VanDerWaalsContact C-N 3.34Å; I159-A161 PolarHBondContact O-N 3.47Å; I159-F162 PolarHBondContact O-N 3.19Å; I159-W163 PolarHBondContact O-N 3.17Å; I159-L201 HydrophobicContact CG2-CB 4.28Å; I159-A202 HydrophobicContact CG2-CB 4.39Å; I159-A205 HydrophobicContact CD1-CB 3.2Å
160	T	87.6	Confident	88.6	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.055	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-39	-179.5	60	0	0	0	0	111.6	L90 V156 F157 W163 S164 T787	L90-T160 HydrophobicContact CD1-CG2 4.06Å; L90-T160 HydrophobicContact CD2-CG2 3.83Å; L90-T160 HydrophobicContact CG-CG2 4.44Å; V156-T160 HydrophobicContact CG1-CG2 4.18Å; V156-T160 WeakPolarHBondContact O-CG2 3.48Å; V156-T160 PolarHBondContact O-N 2.79Å; V156-T160 PolarHBondContact O-OG1 3.07Å; F157-T160 PolarHBondContact O-N 3.12Å; F157-T160 PolarHBondContact O-OG1 3.12Å; T160-W163 PolarHBondContact O-N 2.67Å; T160-S164 WeakPolarHBondContact O-CB 3.33Å; T160-S164 PolarHBondContact O-N 3Å; T160-T787 PolarHBondContact OG1-OG1 3.49Å
161	A	89.6	Confident	88.7	Confident	6 Å²	6	38.4 Å²	38.4	5%	0.05	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-39.8	174.6	0	0	0	0	0	112.8	F157 I159 S164 I165 M838	F157-A161 HydrophobicContact CE2-CB 4.46Å; F157-A161 WeakPolarHBondContact O-CB 3.37Å; F157-A161 PolarHBondContact O-N 3.36Å; I159-A161 VanDerWaalsContact C-N 3.34Å; I159-A161 PolarHBondContact O-N 3.47Å; A161-S164 PolarHBondContact O-N 3.39Å; A161-I165 PolarHBondContact O-N 2.87Å; A161-M838 HydrophobicContact CB-CE 3.37Å; A161-M838 HydrophobicContact CB-SD 4.23Å
162	F	92.7	Very high	89	Confident	120 Å²	120	41.1 Å²	41.1	53%	0.526	18%	0.184	S	C	.	.	H	α-helix	trans	-60.3	-52.4	174.2	171.3	-95.8	0	0	0	110.7	F158 I159 S164 I165 F166	F158-F162 WeakPolarHBondContact O-CB 3.47Å; F158-F162 PolarHBondContact O-N 3.33Å; I159-F162 PolarHBondContact O-N 3.19Å; F162-S164 VanDerWaalsContact C-N 3.29Å; F162-S164 PolarHBondContact O-N 3.3Å; F162-I165 PolarHBondContact O-N 3.44Å; F162-F166 HydrophobicContact CD1-CB 4.48Å; F162-F166 HydrophobicContact CE1-CB 4.14Å; F162-F166 HydrophobicContact CE1-CG 4.26Å; F162-F166 HydrophobicContact CZ-CB 4.22Å; F162-F166 HydrophobicContact CZ-CD2 4.23Å; F162-F166 HydrophobicContact CZ-CG 4.26Å; F162-F166 WeakPolarHBondContact O-CB 3.18Å; F162-F166 PolarHBondContact O-N 3.4Å
163	W	93.1	Very high	89.5	Confident	19 Å²	19	38 Å²	38	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-33.7	179.6	-76.7	108	0	0	0	112.4	I159 T160 I165 F166 A167 F194 I197 C198 L201 F795	I159-W163 PolarHBondContact O-N 3.17Å; T160-W163 PolarHBondContact O-N 2.67Å; W163-I165 VanDerWaalsContact C-N 3.34Å; W163-I165 PolarHBondContact O-N 3.33Å; W163-F166 AromaticContact CE3-CD1 3.64Å; W163-F166 HydrophobicContact CE3-CD1 3.64Å; W163-F166 HydrophobicContact CE3-CE1 4.24Å; W163-F166 HydrophobicContact CH2-CD1 4.46Å; W163-F166 HydrophobicContact CH2-CE1 4.38Å; W163-F166 AromaticContact CZ3-CD1 3.52Å; W163-F166 HydrophobicContact CZ3-CD1 3.52Å; W163-F166 AromaticContact CZ3-CE1 3.64Å; W163-F166 HydrophobicContact CZ3-CE1 3.64Å; W163-A167 WeakPolarHBondContact O-CB 3.12Å; W163-A167 PolarHBondContact O-N 3.45Å; W163-F194 AromaticContact CH2-CD1 3.68Å; W163-F194 HydrophobicContact CH2-CD1 3.68Å; W163-F194 HydrophobicContact CH2-CE1 4.2Å; W163-F194 HydrophobicContact CH2-CG 4.38Å; W163-F194 HydrophobicContact CZ3-CB 3.89Å; W163-F194 AromaticContact CZ3-CD1 3.57Å; W163-F194 HydrophobicContact CZ3-CD1 3.57Å; W163-F194 HydrophobicContact CZ3-CE1 4.26Å; W163-F194 AromaticContact CZ3-CG 3.82Å; W163-F194 HydrophobicContact CZ3-CG 3.82Å; W163-I197 HydrophobicContact CH2-CG2 3.92Å; W163-I197 HydrophobicContact CZ2-CG2 3.81Å; W163-C198 HydrophobicContact CB-CB 4.37Å; W163-C198 VanDerWaalsContact CB-SG 3.54Å; W163-C198 HydrophobicContact CD2-CB 3.88Å; W163-C198 HydrophobicContact CE3-CB 4.3Å; W163-C198 HydrophobicContact CG-CB 3.88Å; W163-L201 HydrophobicContact CZ2-CD1 3.58Å; W163-F795 HydrophobicContact CB-CE2 4.38Å; W163-F795 HydrophobicContact CD2-CE2 4.47Å; W163-F795 AromaticContact CE3-CE2 3.63Å; W163-F795 HydrophobicContact CE3-CE2 3.63Å; W163-F795 AromaticContact CE3-CZ 3.54Å; W163-F795 HydrophobicContact CE3-CZ 3.54Å; W163-F795 HydrophobicContact CZ3-CE2 4.33Å; W163-F795 HydrophobicContact CZ3-CZ 4Å
164	S	91.4	Very high	90.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-36.7	174.1	-179.9	0	0	0	0	113.4	T160 A161 F162 Y168 T787 N790	T160-S164 WeakPolarHBondContact O-CB 3.33Å; T160-S164 PolarHBondContact O-N 3Å; A161-S164 PolarHBondContact O-N 3.39Å; F162-S164 VanDerWaalsContact C-N 3.29Å; F162-S164 PolarHBondContact O-N 3.3Å; S164-Y168 WeakPolarHBondContact O-CD2 3.35Å; S164-Y168 WeakPolarHBondContact O-CE2 3.3Å; S164-T787 VanDerWaalsContact CB-O 3.3Å; S164-T787 WeakPolarHBondContact CB-O 3.28Å; S164-T787 PolarHBondContact OG-O 2.88Å; S164-N790 VanDerWaalsContact OG-CB 3.31Å; S164-N790 WeakPolarHBondContact OG-CB 3.39Å
165	I	92.3	Very high	90.4	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-87.7	-41.5	177.8	-63.6	175.9	0	0	0	110.2	A161 F162 W163 A167 Y168 I169 A834 F835 M838	A161-I165 PolarHBondContact O-N 2.87Å; F162-I165 PolarHBondContact O-N 3.44Å; W163-I165 VanDerWaalsContact C-N 3.34Å; W163-I165 PolarHBondContact O-N 3.33Å; I165-A167 PolarHBondContact O-N 3.48Å; I165-Y168 PolarHBondContact O-N 3.12Å; I165-Y168 VanDerWaalsContact O-N 3.14Å; I165-I169 HydrophobicContact CG2-CD1 3.84Å; I165-I169 HydrophobicContact CG2-CG1 4.29Å; I165-I169 PolarHBondContact O-N 3.39Å; I165-I169 VanDerWaalsContact O-N 3.14Å; I165-A834 HydrophobicContact CD1-CB 4.36Å; I165-A834 HydrophobicContact CG1-CB 4.22Å; I165-F835 HydrophobicContact CD1-CD1 4.26Å; I165-F835 HydrophobicContact CD1-CE1 4.29Å; I165-F835 HydrophobicContact CG2-CD2 4.39Å; I165-F835 HydrophobicContact CG2-CE1 4.41Å; I165-F835 HydrophobicContact CG2-CE2 3.75Å; I165-F835 HydrophobicContact CG2-CZ 3.77Å; I165-M838 HydrophobicContact CD1-CG 3.91Å
166	F	94.8	Very high	90.6	Very high	44 Å²	44	29.5 Å²	29.5	19%	0.193	14%	0.142	C	C	.	.	H	α-helix	trans	-57.5	-36.8	-180	176.4	-102.6	0	0	0	112	F162 W163 Y168 I169 W170 F194 F795	F162-F166 HydrophobicContact CD1-CB 4.48Å; F162-F166 HydrophobicContact CE1-CB 4.14Å; F162-F166 HydrophobicContact CE1-CG 4.26Å; F162-F166 HydrophobicContact CZ-CB 4.22Å; F162-F166 HydrophobicContact CZ-CD2 4.23Å; F162-F166 HydrophobicContact CZ-CG 4.26Å; F162-F166 WeakPolarHBondContact O-CB 3.18Å; F162-F166 PolarHBondContact O-N 3.4Å; W163-F166 AromaticContact CE3-CD1 3.64Å; W163-F166 HydrophobicContact CE3-CD1 3.64Å; W163-F166 HydrophobicContact CE3-CE1 4.24Å; W163-F166 HydrophobicContact CH2-CD1 4.46Å; W163-F166 HydrophobicContact CH2-CE1 4.38Å; W163-F166 AromaticContact CZ3-CD1 3.52Å; W163-F166 HydrophobicContact CZ3-CD1 3.52Å; W163-F166 AromaticContact CZ3-CE1 3.64Å; W163-F166 HydrophobicContact CZ3-CE1 3.64Å; F166-Y168 VanDerWaalsContact C-N 3.27Å; F166-Y168 PolarHBondContact O-N 3.37Å; F166-I169 PolarHBondContact O-N 3.04Å; F166-W170 HydrophobicContact CE1-CB 4.26Å; F166-W170 HydrophobicContact CZ-CB 4.31Å; F166-W170 HydrophobicContact CZ-CE3 4.24Å; F166-W170 VanDerWaalsContact O-CB 3.31Å; F166-W170 WeakPolarHBondContact O-CB 3.26Å; F166-W170 PolarHBondContact O-N 3.47Å; F166-F194 HydrophobicContact CE1-CD1 4.48Å; F166-F194 HydrophobicContact CE1-CD2 4.16Å; F166-F194 HydrophobicContact CE1-CE1 4.24Å; F166-F194 AromaticContact CE1-CE2 3.88Å; F166-F194 HydrophobicContact CE1-CE2 3.88Å; F166-F194 HydrophobicContact CE1-CG 4.46Å; F166-F194 AromaticContact CE1-CZ 3.93Å; F166-F194 HydrophobicContact CE1-CZ 3.93Å; F166-F194 HydrophobicContact CZ-CE2 4.27Å; F166-F194 HydrophobicContact CZ-CZ 4.11Å; F166-F795 HydrophobicContact CD1-CZ 4.19Å
167	A	93.5	Very high	90.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-55.4	-42.2	177.6	0	0	0	0	0	112.9	W163 I165 W170 L171 V794 F795	W163-A167 WeakPolarHBondContact O-CB 3.12Å; W163-A167 PolarHBondContact O-N 3.45Å; I165-A167 PolarHBondContact O-N 3.48Å; A167-W170 PolarHBondContact O-N 2.93Å; A167-L171 WeakPolarHBondContact O-CB 3.49Å; A167-L171 PolarHBondContact O-N 3.5Å; A167-V794 HydrophobicContact CB-CB 3.84Å; A167-V794 HydrophobicContact CB-CG1 4.05Å; A167-V794 HydrophobicContact CB-CG2 4.18Å; A167-F795 HydrophobicContact CB-CD1 4.24Å; A167-F795 HydrophobicContact CB-CE1 3.57Å; A167-F795 HydrophobicContact CB-CE2 3.97Å; A167-F795 HydrophobicContact CB-CZ 3.38Å
168	Y	93.3	Very high	91.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-78.7	-34	179.7	-65.5	-89.9	0	0	0	112	V125 A128 S164 I165 F166 W170 L171 Y172 N790 V794 V827 F830	V125-Y168 HydrophobicContact CG1-CE1 4.5Å; V125-Y168 HydrophobicContact CG2-CD1 4.37Å; V125-Y168 HydrophobicContact CG2-CE1 4.18Å; A128-Y168 HydrophobicContact CB-CE1 3.81Å; A128-Y168 HydrophobicContact CB-CE2 4.18Å; A128-Y168 WeakPolarHBondContact CB-OH 3.27Å; S164-Y168 WeakPolarHBondContact O-CD2 3.35Å; S164-Y168 WeakPolarHBondContact O-CE2 3.3Å; I165-Y168 PolarHBondContact O-N 3.12Å; I165-Y168 VanDerWaalsContact O-N 3.14Å; F166-Y168 VanDerWaalsContact C-N 3.27Å; F166-Y168 PolarHBondContact O-N 3.37Å; Y168-W170 VanDerWaalsContact C-N 3.32Å; Y168-L171 PolarHBondContact O-N 2.86Å; Y168-Y172 PolarHBondContact O-N 3.23Å; Y168-N790 HydrophobicContact CE2-CB 4.36Å; Y168-N790 WeakPolarHBondContact CE2-O 3.24Å; Y168-N790 PolarHBondContact OH-O 3.48Å; Y168-V794 HydrophobicContact CD1-CG2 4.09Å; Y168-V794 HydrophobicContact CD2-CG2 4.33Å; Y168-V794 HydrophobicContact CE1-CG2 3.59Å; Y168-V794 HydrophobicContact CE2-CG2 3.86Å; Y168-V794 HydrophobicContact CG-CG2 4.42Å; Y168-V794 VanDerWaalsContact CZ-CG2 3.43Å; Y168-V827 WeakPolarHBondContact O-CG1 3.45Å; Y168-F830 AromaticContact CD1-CD1 3.81Å; Y168-F830 HydrophobicContact CD1-CD1 3.81Å; Y168-F830 AromaticContact CD1-CE1 3.92Å; Y168-F830 HydrophobicContact CD1-CE1 3.92Å; Y168-F830 HydrophobicContact CD2-CD1 4.07Å; Y168-F830 AromaticContact CD2-CE1 3.4Å; Y168-F830 HydrophobicContact CD2-CE1 3.4Å; Y168-F830 VanDerWaalsContact CD2-CE1 3.4Å; Y168-F830 HydrophobicContact CD2-CZ 4.32Å; Y168-F830 HydrophobicContact CE1-CD1 4.37Å; Y168-F830 HydrophobicContact CE1-CE1 4.23Å; Y168-F830 AromaticContact CE2-CE1 3.76Å; Y168-F830 HydrophobicContact CE2-CE1 3.76Å; Y168-F830 HydrophobicContact CE2-CZ 4.28Å; Y168-F830 AromaticContact CG-CD1 3.66Å; Y168-F830 HydrophobicContact CG-CD1 3.66Å; Y168-F830 AromaticContact CG-CE1 3.51Å; Y168-F830 HydrophobicContact CG-CE1 3.51Å
169	I	93.4	Very high	91.1	Very high	57 Å²	57	31.4 Å²	31.4	29%	0.292	16%	0.16	S	C	.	.	H	α-helix	trans	-61.7	-44.6	170.1	-64.2	173.3	0	0	0	109.9	I165 F166 Y172 L173 T831 F835	I165-I169 HydrophobicContact CG2-CD1 3.84Å; I165-I169 HydrophobicContact CG2-CG1 4.29Å; I165-I169 PolarHBondContact O-N 3.39Å; I165-I169 VanDerWaalsContact O-N 3.14Å; F166-I169 PolarHBondContact O-N 3.04Å; I169-Y172 WeakPolarHBondContact O-CB 3.3Å; I169-Y172 PolarHBondContact O-N 3.13Å; I169-L173 HydrophobicContact CG2-CD1 4.29Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 2.86Å; I169-L173 PolarHBondContact O-N 3.32Å; I169-T831 HydrophobicContact CG1-CG2 3.94Å; I169-F835 HydrophobicContact CD1-CE2 4.22Å; I169-F835 HydrophobicContact CD1-CZ 4.27Å
170	W	94.4	Very high	91	Very high	26 Å²	26	33.6 Å²	33.6	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-44.9	176.5	177.7	-104	0	0	0	111.7	F166 A167 Y168 Y172 L173 I174 M178 W186 V190 T191 F194	F166-W170 HydrophobicContact CE1-CB 4.26Å; F166-W170 HydrophobicContact CZ-CB 4.31Å; F166-W170 HydrophobicContact CZ-CE3 4.24Å; F166-W170 VanDerWaalsContact O-CB 3.31Å; F166-W170 WeakPolarHBondContact O-CB 3.26Å; F166-W170 PolarHBondContact O-N 3.47Å; A167-W170 PolarHBondContact O-N 2.93Å; Y168-W170 VanDerWaalsContact C-N 3.32Å; W170-Y172 VanDerWaalsContact C-N 3.29Å; W170-Y172 PolarHBondContact O-N 3.1Å; W170-L173 HydrophobicContact CE3-CD1 4.37Å; W170-L173 WeakPolarHBondContact O-CB 3.14Å; W170-L173 PolarHBondContact O-N 3.27Å; W170-I174 HydrophobicContact CD2-CG2 4.28Å; W170-I174 HydrophobicContact CH2-CG2 4.46Å; W170-I174 HydrophobicContact CZ2-CG2 3.77Å; W170-I174 PolarHBondContact O-N 2.91Å; W170-M178 HydrophobicContact CE3-CE 4.25Å; W170-M178 HydrophobicContact CH2-CE 3.44Å; W170-M178 VanDerWaalsContact CH2-CE 3.44Å; W170-M178 HydrophobicContact CH2-SD 4.4Å; W170-M178 HydrophobicContact CZ2-CE 3.94Å; W170-M178 HydrophobicContact CZ3-CE 3.61Å; W170-M178 HydrophobicContact CZ3-SD 4.45Å; W170-W186 HydrophobicContact CH2-CZ3 4.22Å; W170-V190 HydrophobicContact CH2-CG1 4.04Å; W170-V190 HydrophobicContact CZ2-CB 4.22Å; W170-V190 HydrophobicContact CZ2-CG1 3.63Å; W170-T191 PolarHBondContact NE1-OG1 3.42Å; W170-F194 HydrophobicContact CD2-CD2 4.48Å; W170-F194 AromaticContact CD2-CE2 3.62Å; W170-F194 HydrophobicContact CD2-CE2 3.62Å; W170-F194 HydrophobicContact CD2-CZ 4.44Å; W170-F194 AromaticContact CE2-CE2 3.6Å; W170-F194 HydrophobicContact CE3-CE2 4.05Å; W170-F194 HydrophobicContact CE3-CZ 4.45Å; W170-F194 HydrophobicContact CG-CD2 4.39Å; W170-F194 AromaticContact CG-CE2 3.94Å; W170-F194 HydrophobicContact CG-CE2 3.94Å; W170-F194 HydrophobicContact CH2-CE2 4.37Å; W170-F194 AromaticContact CZ2-CE2 4Å; W170-F194 HydrophobicContact CZ2-CE2 4Å; W170-F194 HydrophobicContact CZ3-CE2 4.4Å; W170-F194 AromaticContact NE1-CE2 3.86Å
171	L	91.4	Very high	90.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-57.1	-42.1	174.1	-175.6	61.5	0	0	0	112.1	V125 A167 Y168 I174 L175 V794 I798 W802 V827	V125-L171 HydrophobicContact CG2-CD2 4.26Å; A167-L171 WeakPolarHBondContact O-CB 3.49Å; A167-L171 PolarHBondContact O-N 3.5Å; Y168-L171 PolarHBondContact O-N 2.86Å; L171-I174 HydrophobicContact CD1-CD1 4.06Å; L171-I174 HydrophobicContact CD1-CG1 4.42Å; L171-I174 VanDerWaalsContact O-CG1 3.24Å; L171-I174 WeakPolarHBondContact O-CG1 3.16Å; L171-L175 HydrophobicContact CD1-CD1 4.11Å; L171-L175 HydrophobicContact CD1-CG 4.49Å; L171-L175 HydrophobicContact CG-CD1 4.14Å; L171-L175 WeakPolarHBondContact O-CB 3.31Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 2.89Å; L171-V794 HydrophobicContact CB-CG1 4.42Å; L171-I798 HydrophobicContact CD1-CD1 3.9Å; L171-I798 HydrophobicContact CD1-CG2 4.17Å; L171-I798 HydrophobicContact CD2-CD1 3.6Å; L171-I798 HydrophobicContact CG-CD1 4.41Å; L171-W802 HydrophobicContact CD1-CH2 3.45Å; L171-W802 VanDerWaalsContact CD1-CH2 3.45Å; L171-W802 HydrophobicContact CD1-CZ2 4.45Å; L171-W802 HydrophobicContact CD1-CZ3 3.57Å; L171-V827 HydrophobicContact CD2-CG2 3.82Å; L171-V827 HydrophobicContact CG-CG2 4.44Å
172	Y	91.2	Very high	90.9	Very high	63 Å²	63	36.2 Å²	36.2	25%	0.247	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-42.6	173.5	172.7	-95.2	0	0	0	112.1	Y168 I169 W170 L175 A176 V177 A824 T828 F889	Y168-Y172 PolarHBondContact O-N 3.23Å; I169-Y172 WeakPolarHBondContact O-CB 3.3Å; I169-Y172 PolarHBondContact O-N 3.13Å; W170-Y172 VanDerWaalsContact C-N 3.29Å; W170-Y172 PolarHBondContact O-N 3.1Å; Y172-L175 PolarHBondContact O-N 3.41Å; Y172-A176 HydrophobicContact CD2-CB 4.25Å; Y172-A176 HydrophobicContact CE2-CB 3.9Å; Y172-A176 WeakPolarHBondContact O-CB 3.34Å; Y172-A176 PolarHBondContact O-N 2.99Å; Y172-V177 HydrophobicContact CD1-CG2 4.34Å; Y172-V177 HydrophobicContact CE1-CG2 3.76Å; Y172-A824 HydrophobicContact CD2-CB 4.49Å; Y172-T828 WeakPolarHBondContact CD2-OG1 3.35Å; Y172-T828 WeakPolarHBondContact CE2-OG1 3.37Å; Y172-F889 AromaticContact CE2-CE1 3.89Å; Y172-F889 HydrophobicContact CE2-CE1 3.89Å; Y172-F889 HydrophobicContact CE2-CE2 4.03Å; Y172-F889 AromaticContact CE2-CZ 3.56Å; Y172-F889 HydrophobicContact CE2-CZ 3.56Å; Y172-F889 WeakPolarHBondContact OH-CE1 3.44Å
173	L	91.6	Very high	90.9	Very high	55 Å²	55	30.7 Å²	30.7	29%	0.288	17%	0.17	S	C	.	.	I	π-helix	trans	-62.2	-45.6	179.9	-70.8	173.5	0	0	0	112.3	I169 W170 L175 V177 M178	I169-L173 HydrophobicContact CG2-CD1 4.29Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 2.86Å; I169-L173 PolarHBondContact O-N 3.32Å; W170-L173 HydrophobicContact CE3-CD1 4.37Å; W170-L173 WeakPolarHBondContact O-CB 3.14Å; W170-L173 PolarHBondContact O-N 3.27Å; L173-L175 VanDerWaalsContact C-N 3.33Å; L173-L175 PolarHBondContact O-N 2.76Å; L173-V177 HydrophobicContact CD2-CB 4.01Å; L173-V177 HydrophobicContact CD2-CG1 4.23Å; L173-V177 HydrophobicContact CD2-CG2 3.99Å; L173-V177 PolarHBondContact O-N 3.11Å; L173-M178 HydrophobicContact CB-CE 4.16Å; L173-M178 PolarHBondContact O-N 3.02Å
174	I	91.8	Very high	90.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-68	-32.2	179.2	61.5	179.9	0	0	0	112.2	W170 L171 M178 E187 W802	W170-I174 HydrophobicContact CD2-CG2 4.28Å; W170-I174 HydrophobicContact CH2-CG2 4.46Å; W170-I174 HydrophobicContact CZ2-CG2 3.77Å; W170-I174 PolarHBondContact O-N 2.91Å; L171-I174 HydrophobicContact CD1-CD1 4.06Å; L171-I174 HydrophobicContact CD1-CG1 4.42Å; L171-I174 VanDerWaalsContact O-CG1 3.24Å; L171-I174 WeakPolarHBondContact O-CG1 3.16Å; I174-M178 HydrophobicContact CB-CE 4.34Å; I174-M178 HydrophobicContact CG2-CE 3.36Å; I174-E187 HydrophobicContact CB-CB 4.48Å; I174-E187 HydrophobicContact CG2-CB 3.96Å; I174-E187 HydrophobicContact CG2-CG 4.17Å; I174-W802 HydrophobicContact CD1-CE3 4.09Å; I174-W802 HydrophobicContact CD1-CZ3 3.64Å; I174-W802 HydrophobicContact CG1-CZ3 4.33Å
175	L	88.3	Confident	91	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.2	C	C	.	.	I	π-helix	trans	-82.6	-38.8	-178	-73.1	175.9	0	0	0	114.3	L171 Y172 L173 S181 V183 W802 V818 P820 L823	L171-L175 HydrophobicContact CD1-CD1 4.11Å; L171-L175 HydrophobicContact CD1-CG 4.49Å; L171-L175 HydrophobicContact CG-CD1 4.14Å; L171-L175 WeakPolarHBondContact O-CB 3.31Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 2.89Å; Y172-L175 PolarHBondContact O-N 3.41Å; L173-L175 VanDerWaalsContact C-N 3.33Å; L173-L175 PolarHBondContact O-N 2.76Å; L175-S181 PolarHBondContact O-N 3.13Å; L175-V183 HydrophobicContact CD2-CG2 4.32Å; L175-W802 HydrophobicContact CD1-CH2 4.13Å; L175-W802 HydrophobicContact CD2-CH2 3.72Å; L175-W802 HydrophobicContact CD2-CZ3 4.05Å; L175-W802 HydrophobicContact CG-CH2 4.11Å; L175-W802 HydrophobicContact CG-CZ3 4.38Å; L175-V818 HydrophobicContact CD2-CB 3.95Å; L175-V818 HydrophobicContact CD2-CG1 3.6Å; L175-P820 HydrophobicContact CB-CB 4.27Å; L175-L823 HydrophobicContact CD1-CD2 3.69Å; L175-L823 HydrophobicContact CD1-CG 4.12Å
176	A	87.2	Confident	91.1	Very high	31 Å²	31	41.1 Å²	41.1	26%	0.256	22%	0.217	S	C	.	.	I	π-helix	trans	-117.3	-20.9	-166.8	0	0	0	0	0	114.7	Y172	Y172-A176 HydrophobicContact CD2-CB 4.25Å; Y172-A176 HydrophobicContact CE2-CB 3.9Å; Y172-A176 WeakPolarHBondContact O-CB 3.34Å; Y172-A176 PolarHBondContact O-N 2.99Å
177	V	88.8	Confident	91.1	Very high	83 Å²	83	39 Å²	39	50%	0.503	21%	0.208	S	C	.	.	I	π-helix	trans	-116.8	-50.2	-169.4	-177.1	0	0	0	0	113.1	Y172 L173	Y172-V177 HydrophobicContact CD1-CG2 4.34Å; Y172-V177 HydrophobicContact CE1-CG2 3.76Å; L173-V177 HydrophobicContact CD2-CB 4.01Å; L173-V177 HydrophobicContact CD2-CG1 4.23Å; L173-V177 HydrophobicContact CD2-CG2 3.99Å; L173-V177 PolarHBondContact O-N 3.11Å
178	M	89.7	Confident	91.1	Very high	72 Å²	72	39 Å²	39	36%	0.355	21%	0.208	S	C	.	.	I	π-helix	trans	-79.7	-66.1	-174.6	-66	-163.8	-72.4	0	0	111.4	W170 L173 I174 P180 W186 E187	W170-M178 HydrophobicContact CE3-CE 4.25Å; W170-M178 HydrophobicContact CH2-CE 3.44Å; W170-M178 VanDerWaalsContact CH2-CE 3.44Å; W170-M178 HydrophobicContact CH2-SD 4.4Å; W170-M178 HydrophobicContact CZ2-CE 3.94Å; W170-M178 HydrophobicContact CZ3-CE 3.61Å; W170-M178 HydrophobicContact CZ3-SD 4.45Å; L173-M178 HydrophobicContact CB-CE 4.16Å; L173-M178 PolarHBondContact O-N 3.02Å; I174-M178 HydrophobicContact CB-CE 4.34Å; I174-M178 HydrophobicContact CG2-CE 3.36Å; M178-P180 WeakPolarHBondContact O-CD 3.22Å; M178-W186 HydrophobicContact CE-CH2 4.19Å; M178-W186 HydrophobicContact SD-CH2 3.96Å; M178-E187 WeakPolarHBondContact CB-OE1 3.41Å
179	S	88.2	Confident	91.2	Very high	19 Å²	19	42.9 Å²	42.9	13%	0.133	23%	0.228	C	C	.	.	S	Bend	trans	-120.9	80.2	-179.1	-55.8	0	0	0	0	109.1	S181 V182 E187	S179-S181 PolarHBondContact O-N 3.25Å; S179-S181 VanDerWaalsContact O-N 3.14Å; S179-V182 WeakPolarHBondContact CB-O 3.3Å; S179-V182 CarbonylContact O-C 3.57Å; S179-V182 PolarHBondContact O-N 3.45Å; S179-V182 VanDerWaalsContact O-N 3.09Å; S179-E187 VanDerWaalsContact CB-OE1 3.23Å; S179-E187 WeakPolarHBondContact CB-OE1 3.43Å; S179-E187 PolarHBondContact OG-OE1 3.34Å
180	P	87.2	Confident	91.3	Very high	85 Å²	85	42 Å²	42	55%	0.552	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	124.3	-169.7	22	-31.8	0	0	0	111.4	M178 V182	M178-P180 WeakPolarHBondContact O-CD 3.22Å; P180-V182 PolarHBondContact O-N 2.88Å
181	S	84.8	Confident	91.3	Very high	43 Å²	43	40.9 Å²	40.9	30%	0.301	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	8.8	-178.6	-43.6	0	0	0	0	116.9	L175 S179 K817 V818 P820	L175-S181 PolarHBondContact O-N 3.13Å; S179-S181 PolarHBondContact O-N 3.25Å; S179-S181 VanDerWaalsContact O-N 3.14Å; S181-K817 WeakPolarHBondContact O-CA 3.43Å; S181-V818 CarbonylContact C-O 3.55Å; S181-V818 WeakPolarHBondContact CA-O 3.34Å; S181-V818 PolarHBondContact O-N 2.84Å; S181-P820 WeakPolarHBondContact OG-CD 3.43Å
182	V	90.8	Very high	91.4	Very high	28 Å²	28	43.3 Å²	43.3	17%	0.17	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.3	180	177.8	0	0	0	0	108.9	S179 P180 Q815 F816 K817	S179-V182 WeakPolarHBondContact CB-O 3.3Å; S179-V182 CarbonylContact O-C 3.57Å; S179-V182 PolarHBondContact O-N 3.45Å; S179-V182 VanDerWaalsContact O-N 3.09Å; P180-V182 PolarHBondContact O-N 2.88Å; V182-Q815 HydrophobicContact CG1-CB 3.86Å; V182-Q815 HydrophobicContact CG1-CG 4.28Å; V182-F816 WeakPolarHBondContact CA-O 3.43Å; V182-K817 HydrophobicContact CG2-CG 4.47Å
183	V	92.4	Very high	91.6	Very high	3 Å²	3	45 Å²	45	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.5	175.7	175.8	0	0	0	0	109.2	L175 E187 A188 W802 F816 V818	L175-V183 HydrophobicContact CD2-CG2 4.32Å; V183-E187 WeakPolarHBondContact CA-OE2 3.28Å; V183-E187 HydrophobicContact CG1-CB 4.26Å; V183-A188 HydrophobicContact CG1-CB 4.14Å; V183-W802 HydrophobicContact CB-CE3 4.46Å; V183-W802 HydrophobicContact CG1-CE3 4.05Å; V183-W802 HydrophobicContact CG2-CE3 3.83Å; V183-W802 HydrophobicContact CG2-CZ3 3.83Å; V183-F816 HydrophobicContact CB-CD1 3.87Å; V183-F816 HydrophobicContact CB-CE1 4.28Å; V183-F816 HydrophobicContact CG1-CD1 4.42Å; V183-F816 PolarHBondContact N-O 3.06Å; V183-V818 HydrophobicContact CB-CG2 4.2Å; V183-V818 HydrophobicContact CG2-CB 4.09Å; V183-V818 HydrophobicContact CG2-CG2 3.63Å
184	E	93.1	Very high	91.7	Very high	89 Å²	89	43.8 Å²	43.8	42%	0.416	24%	0.239	S	C	.	.			trans	-78.7	157.4	177.7	-63.1	-166.6	164.3	0	0	111.8	W186 E187 A188	E184-W186 VanDerWaalsContact C-N 3.25Å; E184-W186 PolarHBondContact O-N 3.44Å; E184-W186 PolarHBondContact OE2-NE1 2.95Å; E184-E187 HydrophobicContact CB-CG 4.22Å; E184-E187 PolarHBondContact N-OE2 3.46Å; E184-E187 PolarHBondContact O-N 2.71Å; E184-E187 VanDerWaalsContact O-N 3.11Å; E184-A188 PolarHBondContact O-N 2.9Å; E184-A188 VanDerWaalsContact O-N 3.12Å
185	V	94.1	Very high	91.7	Very high	49 Å²	49	45.4 Å²	45.4	30%	0.297	25%	0.246	S	C	.	.	H	α-helix	trans	-57.3	-40.6	-178.8	179.7	0	0	0	0	111.5	L189 A806 I807 A810	V185-L189 HydrophobicContact CG1-CD1 3.85Å; V185-L189 HydrophobicContact CG1-CG 4.3Å; V185-L189 WeakPolarHBondContact O-CB 3.5Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.37Å; V185-L189 PolarHBondContact O-N 2.93Å; V185-A806 HydrophobicContact CG2-CB 4.14Å; V185-I807 HydrophobicContact CG1-CG1 3.93Å; V185-A810 HydrophobicContact CG2-CB 3.64Å
186	W	94.1	Very high	91.9	Very high	115 Å²	115	48.4 Å²	48.4	44%	0.436	27%	0.266	S	S	.	.	H	α-helix	trans	-70.3	-35.2	179.8	74.6	-92.7	0	0	0	112.1	W170 M178 E184 A188 L189 V190	W170-W186 HydrophobicContact CH2-CZ3 4.22Å; M178-W186 HydrophobicContact CE-CH2 4.19Å; M178-W186 HydrophobicContact SD-CH2 3.96Å; E184-W186 VanDerWaalsContact C-N 3.25Å; E184-W186 PolarHBondContact O-N 3.44Å; E184-W186 PolarHBondContact OE2-NE1 2.95Å; W186-A188 VanDerWaalsContact C-N 3.34Å; W186-L189 PolarHBondContact O-N 3.46Å; W186-V190 HydrophobicContact CE3-CG2 4.05Å; W186-V190 VanDerWaalsContact O-CB 3.28Å; W186-V190 WeakPolarHBondContact O-CB 3.05Å; W186-V190 WeakPolarHBondContact O-CG2 3.35Å; W186-V190 PolarHBondContact O-N 3.04Å
187	E	94.2	Very high	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-43.8	177.3	-66.6	175.6	147.9	0	0	110.4	I174 M178 S179 V183 E184 T191	I174-E187 HydrophobicContact CB-CB 4.48Å; I174-E187 HydrophobicContact CG2-CB 3.96Å; I174-E187 HydrophobicContact CG2-CG 4.17Å; M178-E187 WeakPolarHBondContact CB-OE1 3.41Å; S179-E187 VanDerWaalsContact CB-OE1 3.23Å; S179-E187 WeakPolarHBondContact CB-OE1 3.43Å; S179-E187 PolarHBondContact OG-OE1 3.34Å; V183-E187 WeakPolarHBondContact CA-OE2 3.28Å; V183-E187 HydrophobicContact CG1-CB 4.26Å; E184-E187 HydrophobicContact CB-CG 4.22Å; E184-E187 PolarHBondContact N-OE2 3.46Å; E184-E187 PolarHBondContact O-N 2.71Å; E184-E187 VanDerWaalsContact O-N 3.11Å; E187-T191 WeakPolarHBondContact O-CB 3.29Å; E187-T191 PolarHBondContact O-N 3.3Å; E187-T191 PolarHBondContact O-OG1 2.96Å
188	A	93	Very high	92.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-45.8	176.4	0	0	0	0	0	112.2	V183 E184 W186 V190 T191 L192 W802 S803 A806	V183-A188 HydrophobicContact CG1-CB 4.14Å; E184-A188 PolarHBondContact O-N 2.9Å; E184-A188 VanDerWaalsContact O-N 3.12Å; W186-A188 VanDerWaalsContact C-N 3.34Å; A188-V190 PolarHBondContact O-N 2.89Å; A188-T191 WeakPolarHBondContact O-CB 3.25Å; A188-T191 PolarHBondContact O-N 3.37Å; A188-L192 PolarHBondContact O-N 3.41Å; A188-W802 HydrophobicContact CB-CB 4.23Å; A188-S803 VanDerWaalsContact C-OG 3.26Å; A188-S803 PolarHBondContact O-OG 3.29Å; A188-A806 HydrophobicContact CB-CB 4.28Å
189	L	94.8	Very high	92.3	Very high	80 Å²	80	43.6 Å²	43.6	42%	0.419	24%	0.235	S	C	.	.	H	α-helix	trans	-65.5	-38	178	-72.1	176	0	0	0	112.8	V185 W186 T191 L192 L193 I807	V185-L189 HydrophobicContact CG1-CD1 3.85Å; V185-L189 HydrophobicContact CG1-CG 4.3Å; V185-L189 WeakPolarHBondContact O-CB 3.5Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.37Å; V185-L189 PolarHBondContact O-N 2.93Å; W186-L189 PolarHBondContact O-N 3.46Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-L192 PolarHBondContact O-N 3.36Å; L189-L193 WeakPolarHBondContact O-CB 3.27Å; L189-L193 PolarHBondContact O-N 3.38Å; L189-I807 HydrophobicContact CD2-CD1 4.49Å
190	V	95.5	Very high	92.3	Very high	40 Å²	40	47.2 Å²	47.2	24%	0.242	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-39.2	175	167.5	0	0	0	0	110.6	W170 W186 A188 L192 L193 F194	W170-V190 HydrophobicContact CH2-CG1 4.04Å; W170-V190 HydrophobicContact CZ2-CB 4.22Å; W170-V190 HydrophobicContact CZ2-CG1 3.63Å; W186-V190 HydrophobicContact CE3-CG2 4.05Å; W186-V190 VanDerWaalsContact O-CB 3.28Å; W186-V190 WeakPolarHBondContact O-CB 3.05Å; W186-V190 WeakPolarHBondContact O-CG2 3.35Å; W186-V190 PolarHBondContact O-N 3.04Å; A188-V190 PolarHBondContact O-N 2.89Å; V190-L192 VanDerWaalsContact C-N 3.27Å; V190-L192 PolarHBondContact O-N 3.18Å; V190-L193 PolarHBondContact O-N 3.1Å; V190-L193 VanDerWaalsContact O-N 3.13Å; V190-F194 HydrophobicContact CG1-CD2 4.15Å; V190-F194 HydrophobicContact CG1-CE1 4.26Å; V190-F194 HydrophobicContact CG1-CE2 3.5Å; V190-F194 HydrophobicContact CG1-CZ 3.56Å; V190-F194 VanDerWaalsContact O-CD2 3.32Å; V190-F194 WeakPolarHBondContact O-CD2 3.28Å; V190-F194 WeakPolarHBondContact O-CG 3.11Å; V190-F194 PolarHBondContact O-N 2.81Å
191	T	94.5	Very high	92.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-44.2	173.1	-54.8	0	0	0	0	110.9	W170 E187 A188 L189 V794 F795	W170-T191 PolarHBondContact NE1-OG1 3.42Å; E187-T191 WeakPolarHBondContact O-CB 3.29Å; E187-T191 PolarHBondContact O-N 3.3Å; E187-T191 PolarHBondContact O-OG1 2.96Å; A188-T191 WeakPolarHBondContact O-CB 3.25Å; A188-T191 PolarHBondContact O-N 3.37Å; L189-T191 VanDerWaalsContact C-N 3.34Å; T191-V794 HydrophobicContact CG2-CG1 4.44Å; T191-F795 HydrophobicContact CG2-CD1 4.4Å; T191-F795 WeakPolarHBondContact O-CA 3.36Å; T191-F795 WeakPolarHBondContact O-CB 3.4Å; T191-F795 WeakPolarHBondContact O-CD1 3.42Å
192	L	94.3	Very high	92.5	Very high	53 Å²	53	44 Å²	44	28%	0.277	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-39.5	175.1	-174.6	61.3	0	0	0	112.7	A188 L189 V190 F194 F195 P196 F795 L796 V800	A188-L192 PolarHBondContact O-N 3.41Å; L189-L192 PolarHBondContact O-N 3.36Å; V190-L192 VanDerWaalsContact C-N 3.27Å; V190-L192 PolarHBondContact O-N 3.18Å; L192-F194 VanDerWaalsContact C-N 3.27Å; L192-F194 PolarHBondContact O-N 3.32Å; L192-F195 WeakPolarHBondContact O-CB 3.4Å; L192-F195 PolarHBondContact O-N 2.7Å; L192-P196 WeakPolarHBondContact O-CD 3.47Å; L192-F795 WeakPolarHBondContact CA-O 3.42Å; L192-L796 HydrophobicContact CD1-CD1 3.95Å; L192-V800 HydrophobicContact CD1-CG2 3.6Å
193	L	95.1	Very high	92.2	Very high	97 Å²	97	46.8 Å²	46.8	51%	0.508	23%	0.234	S	C	.	.	H	α-helix	trans	-67.1	-24.8	179.8	-173.1	66.2	0	0	0	113.1	L189 V190 F195 P196 I197	L189-L193 WeakPolarHBondContact O-CB 3.27Å; L189-L193 PolarHBondContact O-N 3.38Å; V190-L193 PolarHBondContact O-N 3.1Å; V190-L193 VanDerWaalsContact O-N 3.13Å; L193-F195 PolarHBondContact O-N 2.92Å; L193-P196 HydrophobicContact CD1-CG 4.24Å; L193-P196 WeakPolarHBondContact O-CD 3.5Å; L193-P196 VanDerWaalsContact O-CG 3.23Å; L193-P196 WeakPolarHBondContact O-CG 3.35Å; L193-I197 HydrophobicContact CD2-CD1 4.3Å; L193-I197 HydrophobicContact CG-CD1 3.93Å; L193-I197 HydrophobicContact CG-CG1 4.49Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 3.36Å
194	F	94.9	Very high	91.9	Very high	30 Å²	30	48.2 Å²	48.2	13%	0.132	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-24.3	175.4	-74.5	-43.9	0	0	0	113.6	W163 F166 W170 V190 L192 I197 C198 F795	W163-F194 AromaticContact CH2-CD1 3.68Å; W163-F194 HydrophobicContact CH2-CD1 3.68Å; W163-F194 HydrophobicContact CH2-CE1 4.2Å; W163-F194 HydrophobicContact CH2-CG 4.38Å; W163-F194 HydrophobicContact CZ3-CB 3.89Å; W163-F194 AromaticContact CZ3-CD1 3.57Å; W163-F194 HydrophobicContact CZ3-CD1 3.57Å; W163-F194 HydrophobicContact CZ3-CE1 4.26Å; W163-F194 AromaticContact CZ3-CG 3.82Å; W163-F194 HydrophobicContact CZ3-CG 3.82Å; F166-F194 HydrophobicContact CE1-CD1 4.48Å; F166-F194 HydrophobicContact CE1-CD2 4.16Å; F166-F194 HydrophobicContact CE1-CE1 4.24Å; F166-F194 AromaticContact CE1-CE2 3.88Å; F166-F194 HydrophobicContact CE1-CE2 3.88Å; F166-F194 HydrophobicContact CE1-CG 4.46Å; F166-F194 AromaticContact CE1-CZ 3.93Å; F166-F194 HydrophobicContact CE1-CZ 3.93Å; F166-F194 HydrophobicContact CZ-CE2 4.27Å; F166-F194 HydrophobicContact CZ-CZ 4.11Å; W170-F194 HydrophobicContact CD2-CD2 4.48Å; W170-F194 AromaticContact CD2-CE2 3.62Å; W170-F194 HydrophobicContact CD2-CE2 3.62Å; W170-F194 HydrophobicContact CD2-CZ 4.44Å; W170-F194 AromaticContact CE2-CE2 3.6Å; W170-F194 HydrophobicContact CE3-CE2 4.05Å; W170-F194 HydrophobicContact CE3-CZ 4.45Å; W170-F194 HydrophobicContact CG-CD2 4.39Å; W170-F194 AromaticContact CG-CE2 3.94Å; W170-F194 HydrophobicContact CG-CE2 3.94Å; W170-F194 HydrophobicContact CH2-CE2 4.37Å; W170-F194 AromaticContact CZ2-CE2 4Å; W170-F194 HydrophobicContact CZ2-CE2 4Å; W170-F194 HydrophobicContact CZ3-CE2 4.4Å; W170-F194 AromaticContact NE1-CE2 3.86Å; V190-F194 HydrophobicContact CG1-CD2 4.15Å; V190-F194 HydrophobicContact CG1-CE1 4.26Å; V190-F194 HydrophobicContact CG1-CE2 3.5Å; V190-F194 HydrophobicContact CG1-CZ 3.56Å; V190-F194 VanDerWaalsContact O-CD2 3.32Å; V190-F194 WeakPolarHBondContact O-CD2 3.28Å; V190-F194 WeakPolarHBondContact O-CG 3.11Å; V190-F194 PolarHBondContact O-N 2.81Å; L192-F194 VanDerWaalsContact C-N 3.27Å; L192-F194 PolarHBondContact O-N 3.32Å; F194-I197 HydrophobicContact CD1-CD1 4.19Å; F194-I197 PolarHBondContact O-N 2.86Å; F194-C198 VanDerWaalsContact O-CB 3.24Å; F194-C198 WeakPolarHBondContact O-CB 3.37Å; F194-C198 PolarHBondContact O-N 3.41Å; F194-F795 HydrophobicContact CB-CD1 3.55Å; F194-F795 HydrophobicContact CB-CD2 4.18Å; F194-F795 HydrophobicContact CB-CE1 3.55Å; F194-F795 HydrophobicContact CB-CE2 4.17Å; F194-F795 HydrophobicContact CB-CG 3.9Å; F194-F795 HydrophobicContact CB-CZ 3.89Å; F194-F795 HydrophobicContact CD2-CD1 4.27Å; F194-F795 AromaticContact CD2-CE1 3.89Å; F194-F795 HydrophobicContact CD2-CE1 3.89Å; F194-F795 HydrophobicContact CG-CD1 4.4Å; F194-F795 HydrophobicContact CG-CE1 4.08Å
195	F	91.9	Very high	91.3	Very high	34 Å²	34	44.2 Å²	44.2	15%	0.149	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-59.1	174.8	175.3	-116.2	0	0	0	112.8	T91 L192 L193 I197 C198 V199 V792 F795 L796	T91-F195 HydrophobicContact CG2-CZ 3.9Å; L192-F195 WeakPolarHBondContact O-CB 3.4Å; L192-F195 PolarHBondContact O-N 2.7Å; L193-F195 PolarHBondContact O-N 2.92Å; F195-I197 VanDerWaalsContact C-N 3.27Å; F195-I197 PolarHBondContact O-N 3.14Å; F195-C198 WeakPolarHBondContact O-CB 3.33Å; F195-C198 PolarHBondContact O-N 2.82Å; F195-V199 HydrophobicContact CD2-CG2 4.33Å; F195-V199 HydrophobicContact CE2-CG2 4.02Å; F195-V199 HydrophobicContact CZ-CG2 4.28Å; F195-V199 WeakPolarHBondContact O-CG2 3.39Å; F195-V199 PolarHBondContact O-N 2.9Å; F195-V199 VanDerWaalsContact O-N 3.08Å; F195-V792 HydrophobicContact CD2-CG2 4.05Å; F195-V792 HydrophobicContact CE2-CG1 4.34Å; F195-V792 HydrophobicContact CE2-CG2 3.69Å; F195-F795 HydrophobicContact CB-CB 3.8Å; F195-L796 HydrophobicContact CD1-CD1 4.44Å
196	P	92.3	Very high	90.6	Very high	65 Å²	65	43.9 Å²	43.9	42%	0.422	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-30.6	177.5	23.8	-33.7	0	0	0	112.9	L192 L193 V199 L200	L192-P196 WeakPolarHBondContact O-CD 3.47Å; L193-P196 HydrophobicContact CD1-CG 4.24Å; L193-P196 WeakPolarHBondContact O-CD 3.5Å; L193-P196 VanDerWaalsContact O-CG 3.23Å; L193-P196 WeakPolarHBondContact O-CG 3.35Å; P196-V199 PolarHBondContact O-N 2.73Å; P196-L200 WeakPolarHBondContact O-CB 3.16Å; P196-L200 PolarHBondContact O-N 2.83Å
197	I	92.6	Very high	89.7	Confident	61 Å²	61	46 Å²	46	31%	0.313	23%	0.229	S	C	.	.	H	α-helix	trans	-64.5	-46.7	174.2	-67.2	170	0	0	0	111	W163 L193 F194 F195 V199 L200 L201	W163-I197 HydrophobicContact CH2-CG2 3.92Å; W163-I197 HydrophobicContact CZ2-CG2 3.81Å; L193-I197 HydrophobicContact CD2-CD1 4.3Å; L193-I197 HydrophobicContact CG-CD1 3.93Å; L193-I197 HydrophobicContact CG-CG1 4.49Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 3.36Å; F194-I197 HydrophobicContact CD1-CD1 4.19Å; F194-I197 PolarHBondContact O-N 2.86Å; F195-I197 VanDerWaalsContact C-N 3.27Å; F195-I197 PolarHBondContact O-N 3.14Å; I197-V199 VanDerWaalsContact C-N 3.33Å; I197-V199 PolarHBondContact O-N 2.89Å; I197-L200 PolarHBondContact O-N 3.16Å; I197-L201 HydrophobicContact CG2-CD1 3.9Å; I197-L201 HydrophobicContact CG2-CG 4.4Å; I197-L201 WeakPolarHBondContact O-CB 3.45Å; I197-L201 WeakPolarHBondContact O-CG 3.24Å; I197-L201 PolarHBondContact O-N 2.95Å
198	C	90.8	Very high	88.4	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.034	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-46.1	176.9	176.3	0	0	0	0	111.2	W163 F194 F195 L201 A202	W163-C198 HydrophobicContact CB-CB 4.37Å; W163-C198 VanDerWaalsContact CB-SG 3.54Å; W163-C198 HydrophobicContact CD2-CB 3.88Å; W163-C198 HydrophobicContact CE3-CB 4.3Å; W163-C198 HydrophobicContact CG-CB 3.88Å; F194-C198 VanDerWaalsContact O-CB 3.24Å; F194-C198 WeakPolarHBondContact O-CB 3.37Å; F194-C198 PolarHBondContact O-N 3.41Å; F195-C198 WeakPolarHBondContact O-CB 3.33Å; F195-C198 PolarHBondContact O-N 2.82Å; C198-L201 PolarHBondContact O-N 3.32Å; C198-A202 WeakPolarHBondContact O-CB 3.19Å; C198-A202 PolarHBondContact O-N 3.02Å
199	V	89.5	Confident	86.6	Confident	18 Å²	18	59.9 Å²	59.9	11%	0.109	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-45.6	178.3	174.7	0	0	0	0	111.2	V87 L90 T91 F195 P196 I197 L201 A202 W203	V87-V199 HydrophobicContact CB-CG1 4.44Å; V87-V199 HydrophobicContact CG1-CG1 3.89Å; V87-V199 HydrophobicContact CG2-CG1 4.24Å; L90-V199 HydrophobicContact CB-CG2 4.35Å; T91-V199 HydrophobicContact CG2-CB 4.28Å; T91-V199 HydrophobicContact CG2-CG1 3.72Å; T91-V199 HydrophobicContact CG2-CG2 3.55Å; F195-V199 HydrophobicContact CD2-CG2 4.33Å; F195-V199 HydrophobicContact CE2-CG2 4.02Å; F195-V199 HydrophobicContact CZ-CG2 4.28Å; F195-V199 WeakPolarHBondContact O-CG2 3.39Å; F195-V199 PolarHBondContact O-N 2.9Å; F195-V199 VanDerWaalsContact O-N 3.08Å; P196-V199 PolarHBondContact O-N 2.73Å; I197-V199 VanDerWaalsContact C-N 3.33Å; I197-V199 PolarHBondContact O-N 2.89Å; V199-L201 PolarHBondContact O-N 3.49Å; V199-A202 PolarHBondContact O-N 3.49Å; V199-W203 WeakPolarHBondContact O-CB 3.42Å; V199-W203 PolarHBondContact O-N 3.27Å
200	L	89.5	Confident	84.2	Confident	95 Å²	95	61.6 Å²	61.6	50%	0.497	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-44.7	178.4	-178.1	66.5	0	0	0	111.6	P196 I197 W203 I204	P196-L200 WeakPolarHBondContact O-CB 3.16Å; P196-L200 PolarHBondContact O-N 2.83Å; I197-L200 PolarHBondContact O-N 3.16Å; L200-W203 HydrophobicContact CD1-CE3 4.14Å; L200-W203 PolarHBondContact O-N 3.42Å; L200-I204 HydrophobicContact CD1-CD1 4.38Å; L200-I204 HydrophobicContact CG-CD1 3.99Å; L200-I204 WeakPolarHBondContact O-CB 3.19Å; L200-I204 VanDerWaalsContact O-CG1 3.24Å; L200-I204 WeakPolarHBondContact O-CG1 3.5Å; L200-I204 PolarHBondContact O-N 3.25Å
201	L	89.2	Confident	81.6	Confident	62 Å²	62	65.7 Å²	65.7	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-38.5	178.7	-70.5	173.9	0	0	0	112.2	I159 W163 I197 C198 V199 I204 A205	I159-L201 HydrophobicContact CG2-CB 4.28Å; W163-L201 HydrophobicContact CZ2-CD1 3.58Å; I197-L201 HydrophobicContact CG2-CD1 3.9Å; I197-L201 HydrophobicContact CG2-CG 4.4Å; I197-L201 WeakPolarHBondContact O-CB 3.45Å; I197-L201 WeakPolarHBondContact O-CG 3.24Å; I197-L201 PolarHBondContact O-N 2.95Å; C198-L201 PolarHBondContact O-N 3.32Å; V199-L201 PolarHBondContact O-N 3.49Å; L201-I204 PolarHBondContact O-N 3.39Å; L201-A205 WeakPolarHBondContact O-CB 3.38Å; L201-A205 PolarHBondContact O-N 3.38Å
202	A	85.5	Confident	79	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-43.9	174	0	0	0	0	0	111.5	T86 L90 I159 C198 V199 I204 A205 D206	T86-A202 HydrophobicContact CG2-CB 4.04Å; L90-A202 HydrophobicContact CD1-CB 3.21Å; I159-A202 HydrophobicContact CG2-CB 4.39Å; C198-A202 WeakPolarHBondContact O-CB 3.19Å; C198-A202 PolarHBondContact O-N 3.02Å; V199-A202 PolarHBondContact O-N 3.49Å; A202-I204 PolarHBondContact O-N 3.47Å; A202-A205 PolarHBondContact O-N 3.44Å; A202-D206 PolarHBondContact O-N 2.99Å
203	W	85.2	Confident	76.2	Confident	85 Å²	85	82.5 Å²	82.5	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-61.1	-43.2	174.5	177.3	78.2	0	0	0	112.6	V87 V199 L200 A205 D206 R207 L209	V87-W203 HydrophobicContact CG2-CB 3.74Å; V87-W203 HydrophobicContact CG2-CG 3.91Å; V199-W203 WeakPolarHBondContact O-CB 3.42Å; V199-W203 PolarHBondContact O-N 3.27Å; L200-W203 HydrophobicContact CD1-CE3 4.14Å; L200-W203 PolarHBondContact O-N 3.42Å; W203-A205 VanDerWaalsContact C-N 3.3Å; W203-A205 PolarHBondContact O-N 3.14Å; W203-D206 PolarHBondContact O-N 2.94Å; W203-R207 HydrophobicContact CD2-CG 4.23Å; W203-R207 HydrophobicContact CZ2-CG 4Å; W203-R207 WeakPolarHBondContact O-CB 3.33Å; W203-R207 WeakPolarHBondContact O-CG 3.42Å; W203-R207 PolarHBondContact O-N 2.9Å; W203-L209 HydrophobicContact CH2-CD1 4.32Å; W203-L209 HydrophobicContact CZ3-CD1 4.3Å
204	I	85.6	Confident	73.3	Confident	33 Å²	33	87.5 Å²	87.5	17%	0.169	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-40.6	176.5	-72.2	168.3	0	0	0	111.2	L200 L201 A202 R208 L209 L210	L200-I204 HydrophobicContact CD1-CD1 4.38Å; L200-I204 HydrophobicContact CG-CD1 3.99Å; L200-I204 WeakPolarHBondContact O-CB 3.19Å; L200-I204 VanDerWaalsContact O-CG1 3.24Å; L200-I204 WeakPolarHBondContact O-CG1 3.5Å; L200-I204 PolarHBondContact O-N 3.25Å; L201-I204 PolarHBondContact O-N 3.39Å; A202-I204 PolarHBondContact O-N 3.47Å; I204-R208 PolarHBondContact O-N 3.37Å; I204-L209 HydrophobicContact CG2-CB 4.38Å; I204-L209 PolarHBondContact O-N 3.38Å; I204-L210 HydrophobicContact CG2-CB 4.42Å; I204-L210 HydrophobicContact CG2-CD1 3.41Å; I204-L210 VanDerWaalsContact CG2-CD1 3.41Å; I204-L210 HydrophobicContact CG2-CG 3.63Å
205	A	81.6	Confident	70.3	Confident	6 Å²	6	94 Å²	94	5%	0.05	43%	0.425	C	S	.	.	H	α-helix	trans	-70.6	-34.7	179.3	0	0	0	0	0	113.2	I159 L201 A202 W203 R208	I159-A205 HydrophobicContact CD1-CB 3.2Å; L201-A205 WeakPolarHBondContact O-CB 3.38Å; L201-A205 PolarHBondContact O-N 3.38Å; A202-A205 PolarHBondContact O-N 3.44Å; W203-A205 VanDerWaalsContact C-N 3.3Å; W203-A205 PolarHBondContact O-N 3.14Å; A205-R208 PolarHBondContact O-N 3Å
206	D	79.6	Confident	67.5	Low	42 Å²	42	96.1 Å²	96.1	23%	0.225	46%	0.457	C	S	.	.	H	α-helix	trans	-64.2	-49	172.2	-173.6	38.5	0	0	0	111.1	N84 T86 V156 A202 W203 R208	N84-D206 PolarHBondContact ND2-OD2 2.94Å; T86-D206 HydrophobicContact CG2-CB 4.32Å; T86-D206 PolarHBondContact OG1-OD2 3.04Å; T86-D206 VanDerWaalsContact OG1-OD2 3.07Å; V156-D206 HydrophobicContact CG2-CB 4.28Å; A202-D206 PolarHBondContact O-N 2.99Å; W203-D206 PolarHBondContact O-N 2.94Å; D206-R208 WeakPolarHBondContact O-CG 3.08Å; D206-R208 PolarHBondContact O-N 2.96Å; D206-R208 VanDerWaalsContact O-N 3.1Å
207	R	73.9	Confident	64.6	Low	159 Å²	159	98.8 Å²	98.8	60%	0.6	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-1.1	179.4	-66	-74.7	-84.8	-177.1	-6.6	114.8	W203 L209	W203-R207 HydrophobicContact CD2-CG 4.23Å; W203-R207 HydrophobicContact CZ2-CG 4Å; W203-R207 WeakPolarHBondContact O-CB 3.33Å; W203-R207 WeakPolarHBondContact O-CG 3.42Å; W203-R207 PolarHBondContact O-N 2.9Å; R207-L209 VanDerWaalsContact C-N 3.27Å; R207-L209 HydrophobicContact CB-CD1 3.96Å; R207-L209 HydrophobicContact CB-CG 4.14Å; R207-L209 PolarHBondContact O-N 3.09Å
208	R	67.3	Low	61.4	Low	177 Å²	177	107.8 Å²	107.8	67%	0.668	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	25.2	175.4	-44.3	-169.6	174	-171.2	-3.1	115.1	R155 I204 A205 D206 L210	R155-R208 VanDerWaalsContact NH2-NE 3.13Å; I204-R208 PolarHBondContact O-N 3.37Å; A205-R208 PolarHBondContact O-N 3Å; D206-R208 WeakPolarHBondContact O-CG 3.08Å; D206-R208 PolarHBondContact O-N 2.96Å; D206-R208 VanDerWaalsContact O-N 3.1Å; R208-L210 PolarHBondContact O-N 3.48Å
209	L	54.5	Low	58.5	Low	115 Å²	115	115.1 Å²	115.1	60%	0.602	52%	0.519	S	S	*	.			trans	-74.4	-21.7	-168.7	-76.5	162.4	0	0	0	115.5	W203 I204 R207	W203-L209 HydrophobicContact CH2-CD1 4.32Å; W203-L209 HydrophobicContact CZ3-CD1 4.3Å; I204-L209 HydrophobicContact CG2-CB 4.38Å; I204-L209 PolarHBondContact O-N 3.38Å; R207-L209 VanDerWaalsContact C-N 3.27Å; R207-L209 HydrophobicContact CB-CD1 3.96Å; R207-L209 HydrophobicContact CB-CG 4.14Å; R207-L209 PolarHBondContact O-N 3.09Å
210	L	45.9	Very low	55.7	Low	115 Å²	115	126 Å²	126	60%	0.602	56%	0.559	S	S	*	*	S	Bend	trans	-110.9	-13.6	-166.8	-70.4	179	0	0	0	117.3	I204 R208	I204-L210 HydrophobicContact CG2-CB 4.42Å; I204-L210 HydrophobicContact CG2-CD1 3.41Å; I204-L210 VanDerWaalsContact CG2-CD1 3.41Å; I204-L210 HydrophobicContact CG2-CG 3.63Å; R208-L210 PolarHBondContact O-N 3.48Å
211	F	39.6	Very low	52.7	Low	127 Å²	127	126 Å²	126	56%	0.557	57%	0.573	S	S	*	*			trans	-114.5	1.9	-164.3	-72.3	-78.1	0	0	0	117.1	K213	F211-K213 PolarHBondContact O-N 3.41Å
212	Y	40.7	Very low	50	Low	220 Å²	220	129.8 Å²	129.8	86%	0.863	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-8.9	177.5	-145.1	-95.9	0	0	0	113.4
213	K	34	Very low	47.8	Very low	186 Å²	186	139.6 Å²	139.6	81%	0.809	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-13	-172.4	-145.9	173	-175.8	179	0	115.8	F211	F211-K213 PolarHBondContact O-N 3.41Å
214	Y	35.5	Very low	45.5	Very low	203 Å²	203	146.7 Å²	146.7	80%	0.796	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.5	15	-166.9	-90.3	-80.1	0	0	0	117.3
215	M	31.7	Very low	43	Very low	167 Å²	167	153.2 Å²	153.2	82%	0.823	69%	0.692	S	S	*	*	S	Bend	trans	-110.3	109.5	163	-78.2	-133.3	-70.8	0	0	110.3	K217	M215-K217 PolarHBondContact O-N 3.35Å
216	G	32.7	Very low	40.6	Very low	78 Å²	78	156 Å²	156	80%	0.804	72%	0.721	S	S	*	*			trans	-60.4	117.7	179	0	0	0	0	0	111.4	R218	G216-R218 PolarHBondContact O-N 3.05Å
217	K	30.7	Very low	38.3	Very low	120 Å²	120	160.4 Å²	160.4	52%	0.522	74%	0.743	S	S	.	*			trans	-59.9	118.4	170.2	-68.6	178.1	176.2	-175.9	0	109.1	M215 Y219	M215-K217 PolarHBondContact O-N 3.35Å; K217-Y219 HydrophobicContact CB-CD2 4.12Å; K217-Y219 HydrophobicContact CB-CE2 3.59Å; K217-Y219 HydrophobicContact CD-CE2 4.36Å; K217-Y219 VanDerWaalsContact CD-OH 3.32Å; K217-Y219 WeakPolarHBondContact CD-OH 3.46Å; K217-Y219 WeakPolarHBondContact O-CD2 3.39Å; K217-Y219 PolarHBondContact O-N 3.21Å
218	R	26.4	Very low	36.3	Very low	250 Å²	250	159.1 Å²	159.1	94%	0.943	75%	0.753	S	S	*	*			trans	-80.2	103.7	165.2	-81.4	-175.4	178.5	-179.3	0.4	108.1	G216	G216-R218 PolarHBondContact O-N 3.05Å
219	Y	30.6	Very low	34.5	Very low	159 Å²	159	154.7 Å²	154.7	62%	0.624	75%	0.745	S	S	*	*			trans	-79.9	123.2	170.8	-64.2	-89	0	0	0	109	K217 I227	K217-Y219 HydrophobicContact CB-CD2 4.12Å; K217-Y219 HydrophobicContact CB-CE2 3.59Å; K217-Y219 HydrophobicContact CD-CE2 4.36Å; K217-Y219 VanDerWaalsContact CD-OH 3.32Å; K217-Y219 WeakPolarHBondContact CD-OH 3.46Å; K217-Y219 WeakPolarHBondContact O-CD2 3.39Å; K217-Y219 PolarHBondContact O-N 3.21Å; Y219-I227 HydrophobicContact CD1-CG2 4.01Å; Y219-I227 HydrophobicContact CE1-CG2 4.22Å
220	R	29.1	Very low	33.2	Very low	247 Å²	247	158.1 Å²	158.1	93%	0.932	76%	0.758	S	S	*	*			trans	-113	109.1	163.4	-164.3	174.3	-175.2	130	0.2	107.7
221	A	27.5	Very low	32.3	Very low	96 Å²	96	158.7 Å²	158.7	79%	0.793	77%	0.766	S	S	*	*			trans	-81	123.4	177.1	0	0	0	0	0	109.5
222	D	31.4	Very low	31.8	Very low	140 Å²	140	161 Å²	161	75%	0.749	78%	0.779	S	S	*	*			trans	-105	141.5	165.3	-159.9	-0.9	0	0	0	109.4	R224	D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 3.2Å; D222-R224 VanDerWaalsContact O-N 3.16Å
223	K	39.3	Very low	31.4	Very low	206 Å²	206	153.9 Å²	153.9	90%	0.896	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	11.7	-158.8	-121.1	178	-175.3	-179.3	0	115.1
224	R	38.8	Very low	30.8	Very low	235 Å²	235	152.2 Å²	152.2	89%	0.887	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.8	-2.7	-178.9	-74.2	-169.3	179.9	-179.1	0.1	116.9	D222	D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 3.2Å; D222-R224 VanDerWaalsContact O-N 3.16Å
225	H	32.7	Very low	30.5	Very low	170 Å²	170	149.5 Å²	149.5	79%	0.787	77%	0.771	S	S	*	*	S	Bend	trans	-143	144.1	169.3	-94.2	88.6	0	0	0	108.8
226	G	31.1	Very low	30.1	Very low	64 Å²	64	148 Å²	148	66%	0.66	77%	0.771	S	S	*	*			trans	-57.2	169.5	-171.5	0	0	0	0	0	115.4	V228	G226-V228 PolarHBondContact O-N 2.91Å; G226-V228 VanDerWaalsContact O-N 3.08Å
227	I	31.5	Very low	29.9	Very low	134 Å²	134	149.4 Å²	149.4	69%	0.687	77%	0.766	S	S	*	*			trans	-60	108.2	-178.1	-61.4	162.6	0	0	0	109.6	Y219	Y219-I227 HydrophobicContact CD1-CG2 4.01Å; Y219-I227 HydrophobicContact CE1-CG2 4.22Å
228	V	31.3	Very low	29.7	Very low	132 Å²	132	150.5 Å²	150.5	80%	0.8	78%	0.783	S	S	*	*			trans	-89.8	122.8	171.2	179.3	0	0	0	0	108.8	G226	G226-V228 PolarHBondContact O-N 2.91Å; G226-V228 VanDerWaalsContact O-N 3.08Å
229	V	28.9	Very low	29.6	Very low	85 Å²	85	148.9 Å²	148.9	52%	0.515	78%	0.783	S	S	.	*			trans	-85	114.5	169	176.3	0	0	0	0	107.1	T231	V229-T231 PolarHBondContact O-N 3.4Å
230	E	28.3	Very low	29.3	Very low	186 Å²	186	145.1 Å²	145.1	87%	0.869	79%	0.792	S	S	*	*			trans	-68.9	108.3	174.1	-132.3	175.3	-174.6	0	0	109
231	T	27.6	Very low	29.1	Very low	127 Å²	127	137 Å²	137	78%	0.779	79%	0.786	S	S	*	*			trans	-83.7	112.8	160.9	31.2	0	0	0	0	107.9	V229 G233	V229-T231 PolarHBondContact O-N 3.4Å; T231-G233 PolarHBondContact O-N 2.64Å; T231-G233 VanDerWaalsContact O-N 3.11Å
232	E	29.3	Very low	29	Very low	176 Å²	176	141.3 Å²	141.3	82%	0.822	79%	0.792	S	S	*	*	S	Bend	trans	-66	109.2	177.4	-153.1	179.6	-168.8	0	0	109.3
233	G	31.3	Very low	28.6	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	80%	0.798	S	S	*	*			trans	109.9	62.8	164.5	0	0	0	0	0	116.3	T231	T231-G233 PolarHBondContact O-N 2.64Å; T231-G233 VanDerWaalsContact O-N 3.11Å
234	D	22.5	Very low	27.9	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	79%	0.794	S	S	*	*			trans	-147.5	127.8	143.2	-99.5	-27.9	0	0	0	111.2
235	L	27.2	Very low	27.3	Very low	145 Å²	145	138.1 Å²	138.1	76%	0.759	79%	0.792	S	S	*	*			trans	46.4	120.9	167.7	-83.1	78.7	0	0	0	121
236	T	24.8	Very low	27.2	Very low	136 Å²	136	137.3 Å²	137.3	83%	0.834	79%	0.791	S	S	*	*			trans	-119.6	118.3	131.7	49.7	0	0	0	0	109.4
237	P	28.7	Very low	26.7	Very low	107 Å²	107	141.9 Å²	141.9	70%	0.695	80%	0.801	S	S	*	*			trans	-69.7	142.8	159.9	23.3	-17.2	0	0	0	108.7	K239	P237-K239 PolarHBondContact O-N 3.02Å
238	T	24.9	Very low	26.9	Very low	144 Å²	144	138.7 Å²	138.7	88%	0.883	80%	0.801	S	S	*	*			trans	-52.4	117.6	-173.8	-26.9	0	0	0	0	111.9	G240	T238-G240 PolarHBondContact O-N 2.98Å
239	K	26	Very low	26.6	Very low	215 Å²	215	142.4 Å²	142.4	94%	0.935	81%	0.806	S	S	*	*			trans	-77.8	112.3	162.2	-93.5	-175	175.1	179.9	0	108.7	P237	P237-K239 PolarHBondContact O-N 3.02Å
240	G	23.9	Very low	26.5	Very low	80 Å²	80	145.5 Å²	145.5	83%	0.825	82%	0.819	S	S	*	*			trans	-171.5	78.4	169	0	0	0	0	0	111	T238	T238-G240 PolarHBondContact O-N 2.98Å
241	G	24.9	Very low	26.4	Very low	78 Å²	78	141.5 Å²	141.5	80%	0.804	81%	0.809	S	S	*	*			trans	143.5	69.3	172.2	0	0	0	0	0	113.9
242	M	25.3	Very low	26.4	Very low	185 Å²	185	145 Å²	145	91%	0.911	82%	0.817	S	S	*	*			trans	-147.7	97	159.1	-164.2	78.5	123.8	0	0	108.4
243	E	22.6	Very low	26.6	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	80%	0.801	S	S	*	*			trans	-129.5	115.9	155.8	-92.5	-169.6	164.5	0	0	109.4
244	M	24.9	Very low	26.5	Very low	167 Å²	167	142.3 Å²	142.3	82%	0.823	80%	0.797	S	S	*	*			trans	69.7	129.6	153.1	-52.1	-119.8	-78.3	0	0	116.1
245	I	26.6	Very low	26.8	Very low	161 Å²	161	141 Å²	141	83%	0.826	79%	0.789	S	S	*	*				-153.4	148	56	-76.1	162.3	0	0	0	110.7
246	I	28.9	Very low	26.8	Very low	153 Å²	153	138.4 Å²	138.4	79%	0.785	78%	0.782	S	S	*	*			trans	-70.9	125	171.1	-65.8	163.2	0	0	0	110.2
247	D	22.5	Very low	27.1	Very low	160 Å²	160	141.7 Å²	141.7	86%	0.856	78%	0.779	S	S	*	*				-166.7	143.7	128.9	-118	-23.8	0	0	0	112.8
248	G	33.8	Very low	27	Very low	67 Å²	67	141.8 Å²	141.8	69%	0.691	77%	0.769	S	S	*	*			trans	-75.3	135.2	-162.8	0	0	0	0	0	116.5
249	K	25.8	Very low	27.2	Very low	210 Å²	210	139.7 Å²	139.7	91%	0.913	75%	0.752	S	S	*	*			trans	178.2	117.5	139.8	-101.5	169.9	-176.8	179.6	0	108.2
250	L	26.2	Very low	27.3	Very low	149 Å²	149	136.1 Å²	136.1	78%	0.78	74%	0.738	S	S	*	*			trans	-95.6	123.1	173.5	-159.6	82.9	0	0	0	108.6
251	P	26	Very low	27.5	Very low	102 Å²	102	140.1 Å²	140.1	66%	0.662	73%	0.729	S	S	*	*			trans	-82.7	145	171.2	25.4	-17.8	0	0	0	110.8	G253	P251-G253 PolarHBondContact O-N 3.41Å
252	Q	28.9	Very low	27.5	Very low	200 Å²	200	142.6 Å²	142.6	94%	0.935	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	17.6	-170.3	-162.2	158	-14.8	0	0	115.3
253	G	32.2	Very low	27.5	Very low	49 Å²	49	140.6 Å²	140.6	51%	0.505	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.7	-12.2	178.1	0	0	0	0	0	115.2	P251	P251-G253 PolarHBondContact O-N 3.41Å
254	F	29.1	Very low	27.8	Very low	142 Å²	142	137.3 Å²	137.3	62%	0.623	70%	0.702	S	S	*	*	H	α-helix	trans	-79.4	-31.4	-174.2	-163.1	-100.7	0	0	0	113.4	F258	F254-F258 WeakPolarHBondContact O-CB 3.44Å; F254-F258 PolarHBondContact O-N 3.49Å
255	L	28.9	Very low	27.8	Very low	123 Å²	123	136.5 Å²	136.5	64%	0.644	70%	0.697	S	S	*	*	H	α-helix	trans	-72	-32.1	-179.9	-99	145.8	0	0	0	113	L259	L255-L259 PolarHBondContact O-N 2.98Å
256	C	28.2	Very low	27.6	Very low	92 Å²	92	139.3 Å²	139.3	62%	0.622	70%	0.697	S	S	*	*	H	α-helix	trans	-74.2	-40.8	-179.9	-143.5	0	0	0	0	111.5	F258 L259 Q260	C256-F258 VanDerWaalsContact C-N 3.32Å; C256-F258 PolarHBondContact O-N 3.36Å; C256-L259 PolarHBondContact O-N 3.06Å; C256-Q260 PolarHBondContact O-N 3.18Å
257	R	29.8	Very low	27.5	Very low	205 Å²	205	138.5 Å²	138.5	77%	0.774	70%	0.701	S	S	*	*	H	α-helix	trans	-69.4	-28.3	176.6	-141.5	179.4	-81	-157.3	-4.8	112.8	W261	R257-W261 PolarHBondContact O-N 3.23Å
258	F	28.3	Very low	27.6	Very low	108 Å²	108	139.4 Å²	139.4	47%	0.474	70%	0.7	S	S	.	*	H	α-helix	trans	-76.9	-34	176.9	-166.7	-99.3	0	0	0	113.2	F254 C256 F262	F254-F258 WeakPolarHBondContact O-CB 3.44Å; F254-F258 PolarHBondContact O-N 3.49Å; C256-F258 VanDerWaalsContact C-N 3.32Å; C256-F258 PolarHBondContact O-N 3.36Å; F258-F262 HydrophobicContact CD1-CD2 4.4Å; F258-F262 AromaticContact CE1-CD2 3.93Å; F258-F262 HydrophobicContact CE1-CD2 3.93Å; F258-F262 AromaticContact CE1-CE2 3.91Å; F258-F262 HydrophobicContact CE1-CE2 3.91Å; F258-F262 HydrophobicContact CZ-CD2 4.13Å; F258-F262 AromaticContact CZ-CE2 3.78Å; F258-F262 HydrophobicContact CZ-CE2 3.78Å; F258-F262 PolarHBondContact O-N 3.48Å
259	L	27.3	Very low	27.2	Very low	100 Å²	100	146.5 Å²	146.5	52%	0.524	71%	0.706	S	S	.	*	H	α-helix	trans	-73.4	-35.5	175.2	-94	152.8	0	0	0	112.5	L255 C256 W261 F262 L263	L255-L259 PolarHBondContact O-N 2.98Å; C256-L259 PolarHBondContact O-N 3.06Å; L259-W261 VanDerWaalsContact C-N 3.34Å; L259-F262 PolarHBondContact O-N 2.83Å; L259-L263 PolarHBondContact O-N 2.94Å
260	Q	28.8	Very low	27.7	Very low	141 Å²	141	142.8 Å²	142.8	66%	0.659	70%	0.703	S	S	*	*	H	α-helix	trans	-67.3	-34.1	175.2	-164.4	154.7	1.2	0	0	112.3	C256 V264	C256-Q260 PolarHBondContact O-N 3.18Å; Q260-V264 WeakPolarHBondContact O-CG2 3.13Å
261	W	29.4	Very low	28	Very low	164 Å²	164	137.5 Å²	137.5	62%	0.621	69%	0.685	S	S	*	*	H	α-helix	trans	-67.9	-33.6	173.2	-171.2	75.7	0	0	0	113.1	R257 L259	R257-W261 PolarHBondContact O-N 3.23Å; L259-W261 VanDerWaalsContact C-N 3.34Å
262	F	23.4	Very low	28.7	Very low	130 Å²	130	134.8 Å²	134.8	57%	0.57	68%	0.675	S	S	*	*	H	α-helix	trans	-80.6	-25.7	-178.9	-109.2	-84	0	0	0	114.4	F258 L259	F258-F262 HydrophobicContact CD1-CD2 4.4Å; F258-F262 AromaticContact CE1-CD2 3.93Å; F258-F262 HydrophobicContact CE1-CD2 3.93Å; F258-F262 AromaticContact CE1-CE2 3.91Å; F258-F262 HydrophobicContact CE1-CE2 3.91Å; F258-F262 HydrophobicContact CZ-CD2 4.13Å; F258-F262 AromaticContact CZ-CE2 3.78Å; F258-F262 HydrophobicContact CZ-CE2 3.78Å; F258-F262 PolarHBondContact O-N 3.48Å; L259-F262 PolarHBondContact O-N 2.83Å
263	L	25.4	Very low	29.4	Very low	142 Å²	142	128.2 Å²	128.2	74%	0.743	65%	0.645	S	S	*	*	H	α-helix	trans	-85.2	-13	-177.2	-76	170.1	0	0	0	114.4	L259	L259-L263 PolarHBondContact O-N 2.94Å
264	V	29.9	Very low	30.1	Very low	119 Å²	119	131.3 Å²	131.3	72%	0.721	65%	0.646	S	S	*	*	S	Bend	trans	-87.6	-13.2	-178	174.2	0	0	0	0	113.6	Q260	Q260-V264 WeakPolarHBondContact O-CG2 3.13Å
265	Q	25.2	Very low	31.3	Very low	150 Å²	150	128 Å²	128	70%	0.701	64%	0.641	S	S	*	*			trans	-105.6	81.7	178.9	-68.3	-167.9	-1	0	0	112.6
266	R	22.1	Very low	32.5	Very low	220 Å²	220	127 Å²	127	83%	0.83	63%	0.628	S	S	*	*			trans	-73.8	142.2	151	-75.7	-165.9	-179.6	-172.2	4.1	109.1	H268	R266-H268 PolarHBondContact O-N 2.86Å
267	P	27.3	Very low	34	Very low	136 Å²	136	125 Å²	125	88%	0.883	61%	0.61	S	S	*	*			trans	-74.6	100.9	-178.6	30.1	-31	0	0	0	109.6
268	H	24.2	Very low	35.6	Very low	178 Å²	178	122 Å²	122	82%	0.824	60%	0.598	S	S	*	*			trans	-88.1	132.6	176.1	-117.3	-65.8	0	0	0	111.8	R266	R266-H268 PolarHBondContact O-N 2.86Å
269	R	25.2	Very low	37.3	Very low	216 Å²	216	121.8 Å²	121.8	82%	0.815	60%	0.599	S	S	*	*			trans	-72.2	159.2	168	-96.6	180	-179	171.5	1.1	110.6	G271	R269-G271 PolarHBondContact O-N 3.29Å; R269-G271 VanDerWaalsContact O-N 3.13Å
270	P	35.4	Very low	39.1	Very low	133 Å²	133	117.6 Å²	117.6	86%	0.864	58%	0.577	S	S	*	*			trans	-74.5	107.8	-161.3	31.3	-32.9	0	0	0	111.4
271	G	32.7	Very low	40.9	Very low	38 Å²	38	111.4 Å²	111.4	39%	0.392	55%	0.549	S	S	.	.			trans	-102.1	112	156.5	0	0	0	0	0	108	R269 S275	R269-G271 PolarHBondContact O-N 3.29Å; R269-G271 VanDerWaalsContact O-N 3.13Å; G271-S275 PolarHBondContact O-OG 3.25Å; G271-S275 VanDerWaalsContact O-OG 3.14Å
272	G	41.5	Very low	42.9	Very low	44 Å²	44	111.5 Å²	111.5	45%	0.454	55%	0.549	S	S	.	.	H	α-helix	trans	-72	-33.8	-172	0	0	0	0	0	114.4	R276	G272-R276 PolarHBondContact O-N 2.68Å
273	E	42.8	Very low	45.1	Very low	63 Å²	63	106.1 Å²	106.1	29%	0.294	53%	0.526	S	S	.	.	H	α-helix	trans	-68.2	-55.3	179.5	-97.3	112.2	-174.4	0	0	112.3	T79 S275 R276 E277	T79-E273 WeakPolarHBondContact CB-OE1 3.17Å; T79-E273 WeakPolarHBondContact CG2-OE1 3.12Å; T79-E273 PolarHBondContact N-OE1 3.41Å; T79-E273 PolarHBondContact N-OE2 3.19Å; T79-E273 PolarHBondContact OG1-OE1 3.06Å; E273-S275 PolarHBondContact O-N 2.99Å; E273-R276 PolarHBondContact O-N 2.87Å; E273-E277 PolarHBondContact O-N 3.5Å
274	Q	46.3	Very low	47.2	Very low	114 Å²	114	99.6 Å²	99.6	53%	0.533	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-23.7	-178.6	-81.8	176.4	-4	0	0	113.9	R278	Q274-R278 WeakPolarHBondContact O-CB 3.36Å; Q274-R278 WeakPolarHBondContact O-CD 3.24Å; Q274-R278 WeakPolarHBondContact O-CG 3.43Å
275	S	54.9	Low	49	Very low	73 Å²	73	98.4 Å²	98.4	51%	0.51	48%	0.477	S	S	.	.	H	α-helix	trans	-78.7	-36.9	176.3	-57.2	0	0	0	0	112.1	G271 E273 E279	G271-S275 PolarHBondContact O-OG 3.25Å; G271-S275 VanDerWaalsContact O-OG 3.14Å; E273-S275 PolarHBondContact O-N 2.99Å; S275-E279 WeakPolarHBondContact O-CB 3.46Å; S275-E279 PolarHBondContact O-N 3.09Å
276	R	55.2	Low	51.3	Low	100 Å²	100	96.9 Å²	96.9	38%	0.377	47%	0.47	S	S	.	.	H	α-helix	trans	-72.8	-45	179.8	-77.2	177.4	170.8	167.9	-4.2	111.5	E63 G272 E273 R278 E279 V280	E63-R276 IonicContact OE1-NH1 2.83Å; E63-R276 IonicContact OE1-NH2 3.71Å; E63-R276 IonicContact OE2-NH1 3.93Å; G272-R276 PolarHBondContact O-N 2.68Å; E273-R276 PolarHBondContact O-N 2.87Å; R276-R278 VanDerWaalsContact C-N 3.34Å; R276-R278 PolarHBondContact O-N 3Å; R276-E279 PolarHBondContact O-N 2.84Å; R276-V280 WeakPolarHBondContact O-CG2 3.34Å; R276-V280 PolarHBondContact O-N 2.9Å
277	E	58.4	Low	53.6	Low	51 Å²	51	86.8 Å²	86.8	24%	0.238	43%	0.432	C	S	.	.	H	α-helix	trans	-54.3	-51.5	175	-77	156.7	-169.4	0	0	110.8	E273 E279 V280 I281 I646	E273-E277 PolarHBondContact O-N 3.5Å; E277-E279 VanDerWaalsContact C-N 3.29Å; E277-E279 PolarHBondContact O-N 3.17Å; E277-V280 PolarHBondContact O-N 3.11Å; E277-I281 WeakPolarHBondContact O-CB 3.46Å; E277-I281 VanDerWaalsContact O-CD1 3.31Å; E277-I281 WeakPolarHBondContact O-CD1 3.5Å; E277-I281 WeakPolarHBondContact O-CG1 3.36Å; E277-I281 PolarHBondContact O-N 3.44Å; E277-I646 HydrophobicContact CB-CD1 4.27Å; E277-I646 HydrophobicContact CG-CD1 3.32Å
278	R	62.8	Low	55.5	Low	142 Å²	142	86.7 Å²	86.7	54%	0.536	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-33.7	178.8	-72.5	174.9	-175.3	172.5	1.4	113.7	Q274 R276 R282	Q274-R278 WeakPolarHBondContact O-CB 3.36Å; Q274-R278 WeakPolarHBondContact O-CD 3.24Å; Q274-R278 WeakPolarHBondContact O-CG 3.43Å; R276-R278 VanDerWaalsContact C-N 3.34Å; R276-R278 PolarHBondContact O-N 3Å; R278-R282 WeakPolarHBondContact O-CB 3.29Å; R278-R282 PolarHBondContact O-N 2.82Å
279	E	64.7	Low	57.8	Low	104 Å²	104	85.1 Å²	85.1	49%	0.486	41%	0.411	S	S	.	.	H	α-helix	trans	-74.2	-43.6	178.8	-169	164.5	-159.4	0	0	111.4	S275 R276 E277 I281 R282 I283	S275-E279 WeakPolarHBondContact O-CB 3.46Å; S275-E279 PolarHBondContact O-N 3.09Å; R276-E279 PolarHBondContact O-N 2.84Å; E277-E279 VanDerWaalsContact C-N 3.29Å; E277-E279 PolarHBondContact O-N 3.17Å; E279-I281 VanDerWaalsContact C-N 3.34Å; E279-I281 PolarHBondContact O-N 3.48Å; E279-R282 PolarHBondContact O-N 3.29Å; E279-I283 HydrophobicContact CG-CD1 4.37Å; E279-I283 WeakPolarHBondContact O-CG1 3.28Å; E279-I283 PolarHBondContact O-N 2.98Å
280	V	64.4	Low	60.2	Low	12 Å²	12	81.2 Å²	81.2	7%	0.073	40%	0.4	C	S	.	.	H	α-helix	trans	-60.6	-44.2	174	170.9	0	0	0	0	111	R276 E277 R282 I283 L284 L645	R276-V280 WeakPolarHBondContact O-CG2 3.34Å; R276-V280 PolarHBondContact O-N 2.9Å; E277-V280 PolarHBondContact O-N 3.11Å; V280-R282 PolarHBondContact O-N 3.12Å; V280-I283 PolarHBondContact O-N 3.45Å; V280-L284 WeakPolarHBondContact O-CB 3.44Å; V280-L284 PolarHBondContact O-N 3.35Å; V280-L645 HydrophobicContact CG1-CB 4.47Å; V280-L645 HydrophobicContact CG1-CD1 4.42Å; V280-L645 HydrophobicContact CG1-CD2 3.83Å; V280-L645 HydrophobicContact CG1-CG 4.47Å
281	I	67.2	Low	62.1	Low	11 Å²	11	78.4 Å²	78.4	6%	0.056	37%	0.373	C	S	.	.	H	α-helix	trans	-62.7	-42.6	177.3	-67.8	160.8	0	0	0	110.8	E277 E279 I283 L284 K285 Y568 F638 V642	E277-I281 WeakPolarHBondContact O-CB 3.46Å; E277-I281 VanDerWaalsContact O-CD1 3.31Å; E277-I281 WeakPolarHBondContact O-CD1 3.5Å; E277-I281 WeakPolarHBondContact O-CG1 3.36Å; E277-I281 PolarHBondContact O-N 3.44Å; E279-I281 VanDerWaalsContact C-N 3.34Å; E279-I281 PolarHBondContact O-N 3.48Å; I281-I283 PolarHBondContact O-N 2.8Å; I281-L284 PolarHBondContact O-N 3.47Å; I281-K285 HydrophobicContact CG2-CD 4.22Å; I281-K285 HydrophobicContact CG2-CG 4.43Å; I281-K285 WeakPolarHBondContact O-CB 3.44Å; I281-K285 VanDerWaalsContact O-CG 3.31Å; I281-K285 WeakPolarHBondContact O-CG 3.39Å; I281-K285 PolarHBondContact O-N 3.44Å; I281-Y568 HydrophobicContact CD1-CD2 4.5Å; I281-Y568 HydrophobicContact CD1-CE2 3.53Å; I281-F638 HydrophobicContact CG1-CE1 4.38Å; I281-F638 HydrophobicContact CG2-CE1 4.46Å; I281-F638 HydrophobicContact CG2-CZ 4.43Å; I281-V642 HydrophobicContact CD1-CG1 4.46Å; I281-V642 HydrophobicContact CG1-CG1 4.15Å; I281-V642 HydrophobicContact CG1-CG2 4.22Å
282	R	71.6	Confident	63.8	Low	165 Å²	165	81.2 Å²	81.2	62%	0.623	38%	0.384	S	S	*	.	H	α-helix	trans	-60.6	-45.3	176.1	-173.1	-175.6	-61.4	174.6	2.3	111.7	R278 E279 V280 K285 E286	R278-R282 WeakPolarHBondContact O-CB 3.29Å; R278-R282 PolarHBondContact O-N 2.82Å; E279-R282 PolarHBondContact O-N 3.29Å; V280-R282 PolarHBondContact O-N 3.12Å; R282-K285 PolarHBondContact O-N 2.85Å; R282-E286 WeakPolarHBondContact O-CG 3.21Å; R282-E286 PolarHBondContact O-N 3.07Å
283	I	70.1	Confident	64.9	Low	18 Å²	18	86.8 Å²	86.8	9%	0.092	40%	0.403	C	S	.	.	H	α-helix	trans	-62.1	-45.7	178.4	-68.9	167.7	0	0	0	110.3	E279 V280 I281 K285 E286 L287 A303 A307	E279-I283 HydrophobicContact CG-CD1 4.37Å; E279-I283 WeakPolarHBondContact O-CG1 3.28Å; E279-I283 PolarHBondContact O-N 2.98Å; V280-I283 PolarHBondContact O-N 3.45Å; I281-I283 PolarHBondContact O-N 2.8Å; I283-K285 VanDerWaalsContact C-N 3.33Å; I283-K285 PolarHBondContact O-N 3.44Å; I283-E286 PolarHBondContact O-N 3.38Å; I283-L287 HydrophobicContact CG2-CD1 3.93Å; I283-L287 HydrophobicContact CG2-CG 4.42Å; I283-L287 VanDerWaalsContact O-CG 3.29Å; I283-L287 WeakPolarHBondContact O-CG 3.5Å; I283-L287 PolarHBondContact O-N 3.33Å; I283-A303 HydrophobicContact CG2-CB 4.41Å; I283-A307 HydrophobicContact CD1-CB 4.42Å
284	L	69.8	Low	66.1	Low	5 Å²	5	87.8 Å²	87.8	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-66.5	-35.9	-178.9	-157.8	131.1	0	0	0	111.6	V280 I281 L287 K288 V300 A303 F638 L645	V280-L284 WeakPolarHBondContact O-CB 3.44Å; V280-L284 PolarHBondContact O-N 3.35Å; I281-L284 PolarHBondContact O-N 3.47Å; L284-L287 PolarHBondContact O-N 3.07Å; L284-K288 WeakPolarHBondContact O-CB 3.26Å; L284-K288 PolarHBondContact O-N 2.93Å; L284-V300 HydrophobicContact CD1-CG2 4.3Å; L284-A303 HydrophobicContact CB-CB 4.36Å; L284-A303 HydrophobicContact CD1-CB 3.72Å; L284-A303 HydrophobicContact CG-CB 4.26Å; L284-F638 HydrophobicContact CD2-CD2 4.29Å; L284-F638 HydrophobicContact CD2-CE2 3.34Å; L284-F638 HydrophobicContact CD2-CZ 3.92Å; L284-L645 HydrophobicContact CD1-CD1 3.79Å
285	K	67.3	Low	67.3	Low	93 Å²	93	88.6 Å²	88.6	40%	0.404	41%	0.41	S	S	.	.	H	α-helix	trans	-62.3	-47.6	170.6	-74.7	-175	178.3	-162.5	0	112.1	I281 R282 I283 L287 K288 Q289	I281-K285 HydrophobicContact CG2-CD 4.22Å; I281-K285 HydrophobicContact CG2-CG 4.43Å; I281-K285 WeakPolarHBondContact O-CB 3.44Å; I281-K285 VanDerWaalsContact O-CG 3.31Å; I281-K285 WeakPolarHBondContact O-CG 3.39Å; I281-K285 PolarHBondContact O-N 3.44Å; R282-K285 PolarHBondContact O-N 2.85Å; I283-K285 VanDerWaalsContact C-N 3.33Å; I283-K285 PolarHBondContact O-N 3.44Å; K285-L287 VanDerWaalsContact C-N 3.29Å; K285-L287 PolarHBondContact O-N 3.31Å; K285-K288 PolarHBondContact O-N 3.46Å; K285-Q289 WeakPolarHBondContact O-CG 3.38Å; K285-Q289 PolarHBondContact O-N 2.73Å
286	E	72.8	Confident	67.8	Low	118 Å²	118	88.7 Å²	88.7	55%	0.551	41%	0.405	S	S	*	.	H	α-helix	trans	-61	-37.7	176.4	-76	-179.6	-167.8	0	0	112.1	R282 I283 K290	R282-E286 WeakPolarHBondContact O-CG 3.21Å; R282-E286 PolarHBondContact O-N 3.07Å; I283-E286 PolarHBondContact O-N 3.38Å; E286-K290 VanDerWaalsContact O-CB 3.31Å; E286-K290 WeakPolarHBondContact O-CB 3.49Å; E286-K290 PolarHBondContact O-N 3.2Å
287	L	71.8	Confident	68.3	Low	9 Å²	9	90 Å²	90	5%	0.047	42%	0.42	C	S	.	.	H	α-helix	trans	-71.6	-40.8	178.5	-70.9	174.7	0	0	0	113	I283 L284 K285 Q289 K290 Y291 L299 L302 A303 Y306	I283-L287 HydrophobicContact CG2-CD1 3.93Å; I283-L287 HydrophobicContact CG2-CG 4.42Å; I283-L287 VanDerWaalsContact O-CG 3.29Å; I283-L287 WeakPolarHBondContact O-CG 3.5Å; I283-L287 PolarHBondContact O-N 3.33Å; L284-L287 PolarHBondContact O-N 3.07Å; K285-L287 VanDerWaalsContact C-N 3.29Å; K285-L287 PolarHBondContact O-N 3.31Å; L287-Q289 VanDerWaalsContact C-N 3.32Å; L287-Q289 PolarHBondContact O-N 3.44Å; L287-K290 PolarHBondContact O-N 3.5Å; L287-Y291 HydrophobicContact CD2-CD2 4.41Å; L287-Y291 HydrophobicContact CD2-CE2 4.34Å; L287-Y291 PolarHBondContact O-N 3.18Å; L287-L299 HydrophobicContact CB-CD2 4.11Å; L287-L302 HydrophobicContact CD1-CB 4.11Å; L287-L302 HydrophobicContact CD1-CD2 4.43Å; L287-L302 HydrophobicContact CD1-CG 3.99Å; L287-L302 HydrophobicContact CD2-CD2 3.68Å; L287-L302 HydrophobicContact CD2-CG 3.9Å; L287-A303 VanDerWaalsContact CD1-CA 3.43Å; L287-A303 HydrophobicContact CD1-CB 3.77Å; L287-Y306 HydrophobicContact CD1-CD2 3.95Å; L287-Y306 HydrophobicContact CD2-CD2 3.78Å; L287-Y306 HydrophobicContact CD2-CE2 3.65Å; L287-Y306 HydrophobicContact CG-CD2 4.37Å
288	K	67.4	Low	68.8	Low	133 Å²	133	92.1 Å²	92.1	58%	0.578	43%	0.429	S	S	*	.	H	α-helix	trans	-63.4	-38.2	174.7	-171.1	174.3	175.7	179.5	0	111.5	L284 K285 Y291	L284-K288 WeakPolarHBondContact O-CB 3.26Å; L284-K288 PolarHBondContact O-N 2.93Å; K285-K288 PolarHBondContact O-N 3.46Å; K288-Y291 CarbonylContact O-C 3.53Å
289	Q	72	Confident	69.1	Low	146 Å²	146	85.8 Å²	85.8	68%	0.682	41%	0.406	S	S	*	.	H	α-helix	trans	-66.7	-36.8	173.4	-75.9	-177.2	-6.8	0	0	112.9	K285 L287	K285-Q289 WeakPolarHBondContact O-CG 3.38Å; K285-Q289 PolarHBondContact O-N 2.73Å; L287-Q289 VanDerWaalsContact C-N 3.32Å; L287-Q289 PolarHBondContact O-N 3.44Å
290	K	74.3	Confident	69.2	Low	133 Å²	133	81.9 Å²	81.9	58%	0.578	39%	0.389	S	S	*	.	H	α-helix	trans	-81.2	-29	-177.2	-167	172.3	-178.4	-176.9	0	113.3	E286 L287	E286-K290 VanDerWaalsContact O-CB 3.31Å; E286-K290 WeakPolarHBondContact O-CB 3.49Å; E286-K290 PolarHBondContact O-N 3.2Å; L287-K290 PolarHBondContact O-N 3.5Å
291	Y	75.3	Confident	69.3	Low	75 Å²	75	84.1 Å²	84.1	29%	0.294	40%	0.399	S	S	.	.			trans	-132.9	73.1	-179.4	-57.9	-75	0	0	0	110.6	L287 K288 D293 K294 L302	L287-Y291 HydrophobicContact CD2-CD2 4.41Å; L287-Y291 HydrophobicContact CD2-CE2 4.34Å; L287-Y291 PolarHBondContact O-N 3.18Å; K288-Y291 CarbonylContact O-C 3.53Å; Y291-D293 PolarHBondContact O-N 3.3Å; Y291-K294 HydrophobicContact CD1-CD 4.27Å; Y291-K294 HydrophobicContact CG-CD 4.05Å; Y291-K294 PolarHBondContact O-N 3.19Å; Y291-L302 HydrophobicContact CD2-CD2 3.94Å; Y291-L302 HydrophobicContact CE2-CD2 3.83Å
292	P	69.5	Low	69.3	Low	96 Å²	96	85.4 Å²	85.4	62%	0.623	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.3	-178.8	26.9	-34.2	0	0	0	113.1
293	D	65	Low	69.2	Low	161 Å²	161	77.6 Å²	77.6	86%	0.861	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	2.9	-174.9	-52.6	-40.6	0	0	0	114	Y291	Y291-D293 PolarHBondContact O-N 3.3Å
294	K	67.8	Low	69.1	Low	84 Å²	84	78.1 Å²	78.1	37%	0.365	38%	0.379	S	S	.	.	S	Bend	trans	-94.5	140.1	179.9	-74.8	-170.9	180	-175.8	0	111.4	Y291 L299	Y291-K294 HydrophobicContact CD1-CD 4.27Å; Y291-K294 HydrophobicContact CG-CD 4.05Å; Y291-K294 PolarHBondContact O-N 3.19Å; K294-L299 HydrophobicContact CB-CD2 4.24Å; K294-L299 HydrophobicContact CB-CG 4.04Å; K294-L299 WeakPolarHBondContact O-CD1 3.14Å
295	E	70.6	Confident	69	Low	132 Å²	132	80.3 Å²	80.3	62%	0.617	39%	0.387	S	S	*	.			trans	-59.3	151.9	174.3	-70	168.3	168.5	0	0	112	D297 Q298 L299	E295-D297 VanDerWaalsContact C-N 3.28Å; E295-D297 PolarHBondContact O-N 3.48Å; E295-Q298 HydrophobicContact CB-CG 4.45Å; E295-Q298 PolarHBondContact O-N 3.04Å; E295-Q298 VanDerWaalsContact O-N 3.15Å; E295-Q298 PolarHBondContact OE2-NE2 3.35Å; E295-L299 PolarHBondContact O-N 2.8Å
296	L	66.1	Low	69	Low	75 Å²	75	79.2 Å²	79.2	39%	0.393	38%	0.381	S	S	.	.	H	α-helix	trans	-57.8	-40.7	-175.1	-172.6	64.5	0	0	0	111.9	Q298 L299 V300	L296-Q298 PolarHBondContact O-N 3.32Å; L296-L299 WeakPolarHBondContact O-CB 3.21Å; L296-L299 PolarHBondContact O-N 2.99Å; L296-V300 HydrophobicContact CG-CG2 4.43Å; L296-V300 WeakPolarHBondContact O-CB 3.26Å; L296-V300 WeakPolarHBondContact O-CG2 3.24Å; L296-V300 PolarHBondContact O-N 3.24Å
297	D	66.3	Low	68.8	Low	128 Å²	128	74.2 Å²	74.2	68%	0.684	36%	0.361	S	S	*	.	H	α-helix	trans	-65	-38.1	179.5	-67.9	-44.4	0	0	0	112.9	E295 V300 E301	E295-D297 VanDerWaalsContact C-N 3.28Å; E295-D297 PolarHBondContact O-N 3.48Å; D297-V300 PolarHBondContact O-N 3.31Å; D297-E301 PolarHBondContact O-N 2.87Å
298	Q	68.5	Low	68.6	Low	95 Å²	95	74.2 Å²	74.2	44%	0.444	36%	0.361	S	S	.	.	H	α-helix	trans	-68.8	-36.3	175.1	-61.3	-178.1	19.6	0	0	111.7	E295 L296 L302	E295-Q298 HydrophobicContact CB-CG 4.45Å; E295-Q298 PolarHBondContact O-N 3.04Å; E295-Q298 VanDerWaalsContact O-N 3.15Å; E295-Q298 PolarHBondContact OE2-NE2 3.35Å; L296-Q298 PolarHBondContact O-N 3.32Å; Q298-L302 WeakPolarHBondContact O-CB 3.42Å; Q298-L302 PolarHBondContact O-N 3.5Å
299	L	69.5	Low	68.4	Low	9 Å²	9	70.7 Å²	70.7	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-38.5	174.3	-74.2	170	0	0	0	111.6	L287 K294 E295 L296 L302 A303	L287-L299 HydrophobicContact CB-CD2 4.11Å; K294-L299 HydrophobicContact CB-CD2 4.24Å; K294-L299 HydrophobicContact CB-CG 4.04Å; K294-L299 WeakPolarHBondContact O-CD1 3.14Å; E295-L299 PolarHBondContact O-N 2.8Å; L296-L299 WeakPolarHBondContact O-CB 3.21Å; L296-L299 PolarHBondContact O-N 2.99Å; L299-L302 PolarHBondContact O-N 3.01Å; L299-A303 VanDerWaalsContact O-CB 3.26Å; L299-A303 WeakPolarHBondContact O-CB 3.41Å; L299-A303 PolarHBondContact O-N 3.28Å
300	V	67	Low	68	Low	22 Å²	22	69.6 Å²	69.6	13%	0.133	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-42.5	175.3	165.5	0	0	0	0	111.2	L284 L296 D297 A303 N304 T641 L645	L284-V300 HydrophobicContact CD1-CG2 4.3Å; L296-V300 HydrophobicContact CG-CG2 4.43Å; L296-V300 WeakPolarHBondContact O-CB 3.26Å; L296-V300 WeakPolarHBondContact O-CG2 3.24Å; L296-V300 PolarHBondContact O-N 3.24Å; D297-V300 PolarHBondContact O-N 3.31Å; V300-A303 PolarHBondContact O-N 2.97Å; V300-N304 WeakPolarHBondContact O-CB 3.48Å; V300-N304 PolarHBondContact O-N 3.22Å; V300-N304 PolarHBondContact O-ND2 3.47Å; V300-T641 HydrophobicContact CB-CG2 4.42Å; V300-T641 HydrophobicContact CG1-CG2 4.34Å; V300-T641 HydrophobicContact CG2-CG2 3.21Å; V300-L645 HydrophobicContact CB-CD1 4.36Å; V300-L645 HydrophobicContact CG1-CD1 3.8Å; V300-L645 HydrophobicContact CG1-CG 4.39Å; V300-L645 HydrophobicContact CG2-CD1 4.4Å
301	E	65.4	Low	67.5	Low	58 Å²	58	65.2 Å²	65.2	27%	0.271	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-43.3	175.2	-171.9	173.7	-160	0	0	111.6	D297 A303 N304 Y305 V337 A341	D297-E301 PolarHBondContact O-N 2.87Å; E301-A303 VanDerWaalsContact C-N 3.33Å; E301-A303 PolarHBondContact O-N 2.88Å; E301-N304 WeakPolarHBondContact O-CB 3.21Å; E301-N304 PolarHBondContact O-N 3.25Å; E301-Y305 PolarHBondContact O-N 3.34Å; E301-V337 HydrophobicContact CG-CG1 4.48Å; E301-A341 PolarHBondContact OE1-N 3.13Å
302	L	67.4	Low	66.8	Low	38 Å²	38	69.1 Å²	69.1	20%	0.199	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-39.8	176.4	-167.6	58.7	0	0	0	111.2	L287 Y291 Q298 L299 Y305 Y306	L287-L302 HydrophobicContact CD1-CB 4.11Å; L287-L302 HydrophobicContact CD1-CD2 4.43Å; L287-L302 HydrophobicContact CD1-CG 3.99Å; L287-L302 HydrophobicContact CD2-CD2 3.68Å; L287-L302 HydrophobicContact CD2-CG 3.9Å; Y291-L302 HydrophobicContact CD2-CD2 3.94Å; Y291-L302 HydrophobicContact CE2-CD2 3.83Å; Q298-L302 WeakPolarHBondContact O-CB 3.42Å; Q298-L302 PolarHBondContact O-N 3.5Å; L299-L302 PolarHBondContact O-N 3.01Å; L302-Y305 WeakPolarHBondContact O-CB 3.16Å; L302-Y305 PolarHBondContact O-N 3.49Å; L302-Y306 HydrophobicContact CD1-CD2 3.98Å; L302-Y306 HydrophobicContact CD1-CE2 3.65Å; L302-Y306 HydrophobicContact CD2-CE2 4.34Å; L302-Y306 HydrophobicContact CG-CD2 3.86Å; L302-Y306 HydrophobicContact CG-CE2 3.75Å; L302-Y306 VanDerWaalsContact O-CD2 3.25Å; L302-Y306 WeakPolarHBondContact O-CD2 3.4Å; L302-Y306 PolarHBondContact O-N 3.44Å
303	A	68.9	Low	66.9	Low	1 Å²	1	66.5 Å²	66.5	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-41.9	175.4	0	0	0	0	0	112.1	I283 L284 L287 L299 V300 E301 Y305 Y306 A307 L645	I283-A303 HydrophobicContact CG2-CB 4.41Å; L284-A303 HydrophobicContact CB-CB 4.36Å; L284-A303 HydrophobicContact CD1-CB 3.72Å; L284-A303 HydrophobicContact CG-CB 4.26Å; L287-A303 VanDerWaalsContact CD1-CA 3.43Å; L287-A303 HydrophobicContact CD1-CB 3.77Å; L299-A303 VanDerWaalsContact O-CB 3.26Å; L299-A303 WeakPolarHBondContact O-CB 3.41Å; L299-A303 PolarHBondContact O-N 3.28Å; V300-A303 PolarHBondContact O-N 2.97Å; E301-A303 VanDerWaalsContact C-N 3.33Å; E301-A303 PolarHBondContact O-N 2.88Å; A303-Y305 VanDerWaalsContact C-N 3.31Å; A303-Y305 PolarHBondContact O-N 3.01Å; A303-Y306 PolarHBondContact O-N 3.14Å; A303-A307 VanDerWaalsContact O-CB 3.23Å; A303-A307 WeakPolarHBondContact O-CB 3.45Å; A303-A307 PolarHBondContact O-N 3.48Å; A303-L645 HydrophobicContact CB-CD1 4.14Å
304	N	68.3	Low	66.9	Low	29 Å²	29	59.7 Å²	59.7	16%	0.155	29%	0.288	C	S	.	.	H	α-helix	trans	-56.7	-45.5	171.9	-83.1	-58.7	0	0	0	111.2	V300 E301 A307 L308 L645 T649	V300-N304 WeakPolarHBondContact O-CB 3.48Å; V300-N304 PolarHBondContact O-N 3.22Å; V300-N304 PolarHBondContact O-ND2 3.47Å; E301-N304 WeakPolarHBondContact O-CB 3.21Å; E301-N304 PolarHBondContact O-N 3.25Å; N304-A307 PolarHBondContact O-N 3.37Å; N304-L308 WeakPolarHBondContact O-CB 3.09Å; N304-L308 VanDerWaalsContact O-CG 3.29Å; N304-L308 WeakPolarHBondContact O-CG 3.46Å; N304-L308 PolarHBondContact O-N 3.42Å; N304-L645 HydrophobicContact CB-CD2 4.34Å; N304-L645 WeakPolarHBondContact OD1-CD2 3.35Å; N304-L645 VanDerWaalsContact OD1-CG 3.27Å; N304-L645 WeakPolarHBondContact OD1-CG 3.29Å; N304-T649 WeakPolarHBondContact OD1-CG2 3.23Å
305	Y	68.1	Low	66.8	Low	51 Å²	51	56.5 Å²	56.5	20%	0.2	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-47.7	177.3	175.4	-109.9	0	0	0	112.7	E301 L302 A303 A307 L308 L309 L333 V337	E301-Y305 PolarHBondContact O-N 3.34Å; L302-Y305 WeakPolarHBondContact O-CB 3.16Å; L302-Y305 PolarHBondContact O-N 3.49Å; A303-Y305 VanDerWaalsContact C-N 3.31Å; A303-Y305 PolarHBondContact O-N 3.01Å; Y305-A307 VanDerWaalsContact C-N 3.34Å; Y305-A307 PolarHBondContact O-N 2.86Å; Y305-L308 PolarHBondContact O-N 3.5Å; Y305-L309 HydrophobicContact CD1-CD1 3.84Å; Y305-L309 HydrophobicContact CE1-CD1 3.3Å; Y305-L309 HydrophobicContact CE1-CG 4.22Å; Y305-L309 HydrophobicContact CE2-CD1 4.16Å; Y305-L309 HydrophobicContact CE2-CG 4.23Å; Y305-L309 HydrophobicContact CG-CD1 4.47Å; Y305-L309 WeakPolarHBondContact O-CG 3.44Å; Y305-L309 PolarHBondContact O-N 3.44Å; Y305-L333 HydrophobicContact CD2-CD2 4.19Å; Y305-L333 HydrophobicContact CD2-CG 4.46Å; Y305-L333 HydrophobicContact CE2-CB 4.47Å; Y305-L333 HydrophobicContact CE2-CD2 3.97Å; Y305-L333 HydrophobicContact CE2-CG 4.35Å; Y305-V337 HydrophobicContact CD2-CG2 3.46Å; Y305-V337 VanDerWaalsContact CD2-CG2 3.46Å; Y305-V337 HydrophobicContact CE2-CG2 4.27Å; Y305-V337 HydrophobicContact CG-CG2 4.01Å
306	Y	67.8	Low	66.6	Low	70 Å²	70	50.2 Å²	50.2	28%	0.275	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-36.5	178.3	-86.3	-75.7	0	0	0	112.6	L287 L302 A303 L309 H310	L287-Y306 HydrophobicContact CD1-CD2 3.95Å; L287-Y306 HydrophobicContact CD2-CD2 3.78Å; L287-Y306 HydrophobicContact CD2-CE2 3.65Å; L287-Y306 HydrophobicContact CG-CD2 4.37Å; L302-Y306 HydrophobicContact CD1-CD2 3.98Å; L302-Y306 HydrophobicContact CD1-CE2 3.65Å; L302-Y306 HydrophobicContact CD2-CE2 4.34Å; L302-Y306 HydrophobicContact CG-CD2 3.86Å; L302-Y306 HydrophobicContact CG-CE2 3.75Å; L302-Y306 VanDerWaalsContact O-CD2 3.25Å; L302-Y306 WeakPolarHBondContact O-CD2 3.4Å; L302-Y306 PolarHBondContact O-N 3.44Å; A303-Y306 PolarHBondContact O-N 3.14Å; Y306-L309 HydrophobicContact CD1-CD1 4.44Å; Y306-L309 PolarHBondContact O-N 2.76Å; Y306-H310 PolarHBondContact O-N 2.77Å; Y306-H310 VanDerWaalsContact O-N 3.11Å; Y306-H310 PolarHBondContact O-ND1 3.46Å
307	A	67.6	Low	67.1	Low	14 Å²	14	46.8 Å²	46.8	12%	0.116	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-45.5	174.3	0	0	0	0	0	111.4	I283 A303 N304 Y305 L309 H310 Q311 T649	I283-A307 HydrophobicContact CD1-CB 4.42Å; A303-A307 VanDerWaalsContact O-CB 3.23Å; A303-A307 WeakPolarHBondContact O-CB 3.45Å; A303-A307 PolarHBondContact O-N 3.48Å; N304-A307 PolarHBondContact O-N 3.37Å; Y305-A307 VanDerWaalsContact C-N 3.34Å; Y305-A307 PolarHBondContact O-N 2.86Å; A307-L309 VanDerWaalsContact C-N 3.31Å; A307-L309 PolarHBondContact O-N 3.1Å; A307-H310 PolarHBondContact O-N 3.19Å; A307-Q311 PolarHBondContact O-N 2.89Å; A307-T649 HydrophobicContact CB-CG2 4.13Å
308	L	66.9	Low	67.3	Low	9 Å²	9	41 Å²	41	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-33.2	175.9	-72.6	171.8	0	0	0	113	N304 Y305 L333 L651 V654	N304-L308 WeakPolarHBondContact O-CB 3.09Å; N304-L308 VanDerWaalsContact O-CG 3.29Å; N304-L308 WeakPolarHBondContact O-CG 3.46Å; N304-L308 PolarHBondContact O-N 3.42Å; Y305-L308 PolarHBondContact O-N 3.5Å; L308-L333 HydrophobicContact CB-CD1 4.08Å; L308-L333 HydrophobicContact CB-CD2 4.04Å; L308-L333 HydrophobicContact CB-CG 4.33Å; L308-L333 HydrophobicContact CD1-CD1 4.38Å; L308-L651 HydrophobicContact CD2-CD1 4.24Å; L308-V654 HydrophobicContact CD1-CG2 3.98Å; L308-V654 HydrophobicContact CD2-CG2 4.18Å
309	L	65.2	Low	67.4	Low	59 Å²	59	36.7 Å²	36.7	31%	0.309	18%	0.175	S	C	.	.	H	α-helix	trans	-68.1	-40.2	175.8	-82	173	0	0	0	112.9	Y305 Y306 A307 L333	Y305-L309 HydrophobicContact CD1-CD1 3.84Å; Y305-L309 HydrophobicContact CE1-CD1 3.3Å; Y305-L309 HydrophobicContact CE1-CG 4.22Å; Y305-L309 HydrophobicContact CE2-CD1 4.16Å; Y305-L309 HydrophobicContact CE2-CG 4.23Å; Y305-L309 HydrophobicContact CG-CD1 4.47Å; Y305-L309 WeakPolarHBondContact O-CG 3.44Å; Y305-L309 PolarHBondContact O-N 3.44Å; Y306-L309 HydrophobicContact CD1-CD1 4.44Å; Y306-L309 PolarHBondContact O-N 2.76Å; A307-L309 VanDerWaalsContact C-N 3.31Å; A307-L309 PolarHBondContact O-N 3.1Å; L309-L333 HydrophobicContact CD2-CD2 3.63Å; L309-L333 HydrophobicContact CG-CD2 3.74Å
310	H	63.3	Low	67.7	Low	123 Å²	123	36.2 Å²	36.2	57%	0.569	17%	0.173	S	C	*	.	H	α-helix	trans	-82.5	-16.8	-177.9	-74.8	78	0	0	0	113	Y306 A307	Y306-H310 PolarHBondContact O-N 2.77Å; Y306-H310 VanDerWaalsContact O-N 3.11Å; Y306-H310 PolarHBondContact O-ND1 3.46Å; A307-H310 PolarHBondContact O-N 3.19Å
311	Q	64.2	Low	68.1	Low	41 Å²	41	35.3 Å²	35.3	19%	0.192	17%	0.167	C	C	.	.	S	Bend	trans	-62.8	140.2	175.3	-163.5	173.2	1.8	0	0	111.5	A307 K313	A307-Q311 PolarHBondContact O-N 2.89Å; Q311-K313 PolarHBondContact O-N 3.41Å; Q311-K313 VanDerWaalsContact O-N 3.1Å
312	Q	59.4	Low	68.5	Low	156 Å²	156	32.7 Å²	32.7	73%	0.729	16%	0.155	S	C	*	.			trans	-63.1	114.8	172.1	-76.4	-178.6	-10.6	0	0	110.1
313	K	71.1	Confident	68.7	Low	42 Å²	42	31 Å²	31	18%	0.183	15%	0.146	C	C	.	.			trans	-78.6	142.2	-179.6	-67.7	161.3	176.5	175	0	110.5	Q311 F317 Y318 L651	Q311-K313 PolarHBondContact O-N 3.41Å; Q311-K313 VanDerWaalsContact O-N 3.1Å; K313-F317 HydrophobicContact CB-CD1 3.85Å; K313-F317 HydrophobicContact CB-CE1 4.46Å; K313-F317 HydrophobicContact CB-CG 4.36Å; K313-F317 HydrophobicContact CD-CD1 3.8Å; K313-F317 HydrophobicContact CD-CE1 3.57Å; K313-F317 HydrophobicContact CD-CZ 4.42Å; K313-F317 HydrophobicContact CG-CD1 3.83Å; K313-F317 HydrophobicContact CG-CE1 3.97Å; K313-F317 HydrophobicContact CG-CG 4.45Å; K313-Y318 HydrophobicContact CB-CE1 4.14Å; K313-Y318 HydrophobicContact CB-CE2 3.88Å; K313-Y318 HydrophobicContact CD-CE1 3.61Å; K313-Y318 WeakPolarHBondContact CD-OH 3.27Å; K313-L651 HydrophobicContact CG-CD2 4.45Å
314	S	66.2	Low	69.1	Low	17 Å²	17	31.9 Å²	31.9	12%	0.119	15%	0.149	C	C	.	.			trans	-78.3	163.5	176.4	82.3	0	0	0	0	112.1	E57 A316 F317 Y318	E57-S314 WeakPolarHBondContact OE1-CB 3.37Å; E57-S314 PolarHBondContact OE1-OG 3.36Å; E57-S314 WeakPolarHBondContact OE2-CB 3.48Å; E57-S314 PolarHBondContact OE2-OG 3.13Å; S314-A316 VanDerWaalsContact C-N 3.26Å; S314-A316 PolarHBondContact O-N 3.48Å; S314-A316 PolarHBondContact OG-N 2.95Å; S314-F317 WeakPolarHBondContact O-CB 3.44Å; S314-F317 PolarHBondContact O-N 3.26Å; S314-F317 PolarHBondContact OG-N 3.12Å; S314-F317 VanDerWaalsContact OG-N 3.12Å; S314-Y318 WeakPolarHBondContact O-CD2 3.48Å; S314-Y318 PolarHBondContact O-N 3.07Å
315	R	65.4	Low	69.2	Low	18 Å²	18	33.8 Å²	33.8	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-39.3	171.4	172.1	-171.1	178.4	171.5	3	112.1	N89 M93 S97 F317 Y318 R319 N785	N89-R315 PolarHBondContact O-NH1 3.31Å; M93-R315 HydrophobicContact SD-CB 3.75Å; M93-R315 HydrophobicContact SD-CG 4.4Å; S97-R315 PolarHBondContact OG-NH2 2.78Å; R315-F317 VanDerWaalsContact C-N 3.33Å; R315-Y318 PolarHBondContact O-N 3.25Å; R315-R319 PolarHBondContact O-N 3.3Å; R315-N785 WeakPolarHBondContact CD-OD1 3.16Å; R315-N785 VanDerWaalsContact CG-OD1 3.23Å; R315-N785 WeakPolarHBondContact CG-OD1 3.46Å; R315-N785 PolarHBondContact NE-OD1 3.09Å; R315-N785 PolarHBondContact NH2-O 3.32Å
316	A	66.6	Low	69.4	Low	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.9	-39.2	-179.2	0	0	0	0	0	111.1	M53 E57 S314 Y318 R319 I320	M53-A316 HydrophobicContact CE-CB 3.64Å; E57-A316 HydrophobicContact CB-CB 3.86Å; E57-A316 HydrophobicContact CG-CB 4.36Å; E57-A316 VanDerWaalsContact OE2-CB 3.26Å; E57-A316 WeakPolarHBondContact OE2-CB 3.26Å; S314-A316 VanDerWaalsContact C-N 3.26Å; S314-A316 PolarHBondContact O-N 3.48Å; S314-A316 PolarHBondContact OG-N 2.95Å; A316-Y318 PolarHBondContact O-N 2.85Å; A316-R319 PolarHBondContact O-N 3.43Å; A316-I320 HydrophobicContact CB-CD1 4.41Å; A316-I320 WeakPolarHBondContact O-CB 3.36Å; A316-I320 WeakPolarHBondContact O-CD1 3.29Å; A316-I320 WeakPolarHBondContact O-CG1 3.32Å; A316-I320 PolarHBondContact O-N 3.36Å
317	F	75.3	Confident	69.6	Low	2 Å²	2	30 Å²	30	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-54.3	-50.1	175.8	175.1	-92.7	0	0	0	112.1	K313 S314 R315 R319 I320 Q321 V332 L333 L651 I655	K313-F317 HydrophobicContact CB-CD1 3.85Å; K313-F317 HydrophobicContact CB-CE1 4.46Å; K313-F317 HydrophobicContact CB-CG 4.36Å; K313-F317 HydrophobicContact CD-CD1 3.8Å; K313-F317 HydrophobicContact CD-CE1 3.57Å; K313-F317 HydrophobicContact CD-CZ 4.42Å; K313-F317 HydrophobicContact CG-CD1 3.83Å; K313-F317 HydrophobicContact CG-CE1 3.97Å; K313-F317 HydrophobicContact CG-CG 4.45Å; S314-F317 WeakPolarHBondContact O-CB 3.44Å; S314-F317 PolarHBondContact O-N 3.26Å; S314-F317 PolarHBondContact OG-N 3.12Å; S314-F317 VanDerWaalsContact OG-N 3.12Å; R315-F317 VanDerWaalsContact C-N 3.33Å; F317-R319 VanDerWaalsContact C-N 3.3Å; F317-R319 PolarHBondContact O-N 3.45Å; F317-I320 PolarHBondContact O-N 3.27Å; F317-I320 VanDerWaalsContact O-N 3.16Å; F317-Q321 VanDerWaalsContact CE1-OE1 3.26Å; F317-Q321 WeakPolarHBondContact O-CB 3.13Å; F317-Q321 PolarHBondContact O-N 3.42Å; F317-V332 HydrophobicContact CE2-CB 4.48Å; F317-L333 HydrophobicContact CE2-CD1 4.32Å; F317-L333 HydrophobicContact CZ-CD1 4.43Å; F317-L651 HydrophobicContact CB-CD2 4.26Å; F317-L651 HydrophobicContact CD2-CD1 4.25Å; F317-L651 HydrophobicContact CD2-CD2 4.11Å; F317-L651 HydrophobicContact CD2-CG 4.25Å; F317-L651 HydrophobicContact CE2-CD1 4.2Å; F317-L651 HydrophobicContact CG-CD2 4.23Å; F317-I655 HydrophobicContact CB-CD1 3.95Å; F317-I655 HydrophobicContact CD2-CD1 3.66Å; F317-I655 HydrophobicContact CD2-CG1 3.83Å; F317-I655 HydrophobicContact CG-CD1 4.31Å
318	Y	71.8	Confident	69.6	Low	6 Å²	6	29.5 Å²	29.5	2%	0.024	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-36.1	-179.2	-67.8	-54.9	0	0	0	113.2	K313 S314 R315 A316 A322 V771 A772 Q775 D776	K313-Y318 HydrophobicContact CB-CE1 4.14Å; K313-Y318 HydrophobicContact CB-CE2 3.88Å; K313-Y318 HydrophobicContact CD-CE1 3.61Å; K313-Y318 WeakPolarHBondContact CD-OH 3.27Å; S314-Y318 WeakPolarHBondContact O-CD2 3.48Å; S314-Y318 PolarHBondContact O-N 3.07Å; R315-Y318 PolarHBondContact O-N 3.25Å; A316-Y318 PolarHBondContact O-N 2.85Å; Y318-A322 WeakPolarHBondContact O-CB 3.3Å; Y318-A322 PolarHBondContact O-N 3.08Å; Y318-V771 HydrophobicContact CD1-CG1 3.92Å; Y318-A772 HydrophobicContact CD2-CB 3.94Å; Y318-A772 HydrophobicContact CE2-CB 4.47Å; Y318-A772 HydrophobicContact CG-CB 4.16Å; Y318-Q775 HydrophobicContact CD1-CB 4.48Å; Y318-Q775 HydrophobicContact CE1-CB 3.66Å; Y318-Q775 HydrophobicContact CE1-CG 4.3Å; Y318-Q775 VanDerWaalsContact CE1-OE1 3.26Å; Y318-D776 WeakPolarHBondContact CE2-OD1 3.39Å; Y318-D776 VanDerWaalsContact CE2-OD2 3.3Å; Y318-D776 WeakPolarHBondContact CE2-OD2 3.41Å; Y318-D776 VanDerWaalsContact CZ-OD1 3.29Å; Y318-D776 PolarHBondContact OH-OD1 2.63Å
319	R	71.2	Confident	69.6	Low	5 Å²	5	29.5 Å²	29.5	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-40.7	175.1	-174.8	159.4	-174.1	-138.5	11.6	111.6	M53 G96 S97 R315 A316 F317 A322 T323 D765 A768	M53-R319 HydrophobicContact CG-CG 4.24Å; M53-R319 PolarHBondContact SD-NH1 3.15Å; G96-R319 PolarHBondContact O-NH1 2.89Å; S97-R319 VanDerWaalsContact CA-NH1 3.26Å; S97-R319 PolarHBondContact O-NH2 3.14Å; R315-R319 PolarHBondContact O-N 3.3Å; A316-R319 PolarHBondContact O-N 3.43Å; F317-R319 VanDerWaalsContact C-N 3.3Å; F317-R319 PolarHBondContact O-N 3.45Å; R319-A322 PolarHBondContact O-N 3.12Å; R319-T323 WeakPolarHBondContact O-CB 3.46Å; R319-T323 PolarHBondContact O-N 2.88Å; R319-T323 PolarHBondContact O-OG1 2.95Å; R319-D765 IonicContact CZ-OD1 2.73Å; R319-D765 IonicContact NE-OD1 2.71Å; R319-D765 IonicContact NH2-OD1 3.87Å; R319-D765 PolarHBondContact NH2-OD1 3.1Å; R319-A768 HydrophobicContact CB-CB 3.68Å; R319-A768 HydrophobicContact CG-CB 3.86Å
320	I	74.9	Confident	69.8	Low	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.7	-46.9	179.7	-68.3	161.6	0	0	0	110.5	D50 M53 A54 A316 F317 A322 T323 R324 I655	D50-I320 WeakPolarHBondContact OD1-CA 3.48Å; D50-I320 WeakPolarHBondContact OD1-CB 3.25Å; D50-I320 WeakPolarHBondContact OD1-CG1 3.18Å; D50-I320 WeakPolarHBondContact OD1-CG2 3.36Å; M53-I320 HydrophobicContact CB-CD1 4.19Å; M53-I320 HydrophobicContact CB-CG1 3.98Å; A54-I320 HydrophobicContact CB-CD1 3.88Å; A316-I320 HydrophobicContact CB-CD1 4.41Å; A316-I320 WeakPolarHBondContact O-CB 3.36Å; A316-I320 WeakPolarHBondContact O-CD1 3.29Å; A316-I320 WeakPolarHBondContact O-CG1 3.32Å; A316-I320 PolarHBondContact O-N 3.36Å; F317-I320 PolarHBondContact O-N 3.27Å; F317-I320 VanDerWaalsContact O-N 3.16Å; I320-A322 PolarHBondContact O-N 3.23Å; I320-T323 PolarHBondContact O-N 3.45Å; I320-R324 HydrophobicContact CG2-CG 4.43Å; I320-R324 WeakPolarHBondContact O-CB 3.22Å; I320-R324 WeakPolarHBondContact O-CG 3.47Å; I320-R324 PolarHBondContact O-N 3.06Å; I320-I655 HydrophobicContact CD1-CG2 3.37Å; I320-I655 HydrophobicContact CG2-CG2 4.31Å
321	Q	75.8	Confident	70.3	Confident	3 Å²	3	22.1 Å²	22.1	1%	0.014	11%	0.108	C	C	.	.	H	α-helix	trans	-58.4	-47.8	175.3	-174.6	179.4	11.3	0	0	111.4	F317 T323 R324 M325 N331 Q775	F317-Q321 VanDerWaalsContact CE1-OE1 3.26Å; F317-Q321 WeakPolarHBondContact O-CB 3.13Å; F317-Q321 PolarHBondContact O-N 3.42Å; Q321-T323 VanDerWaalsContact C-N 3.3Å; Q321-T323 PolarHBondContact O-N 2.81Å; Q321-R324 PolarHBondContact O-N 3.47Å; Q321-M325 HydrophobicContact CG-SD 4.28Å; Q321-M325 WeakPolarHBondContact O-CB 3.46Å; Q321-M325 VanDerWaalsContact O-CG 3.28Å; Q321-M325 WeakPolarHBondContact O-CG 3.29Å; Q321-M325 PolarHBondContact O-N 3.4Å; Q321-N331 PolarHBondContact NE2-ND2 2.61Å; Q321-N331 PolarHBondContact NE2-OD1 3.23Å; Q321-Q775 VanDerWaalsContact OE1-NE2 3.08Å
322	A	72.6	Confident	70.6	Confident	3 Å²	3	20.4 Å²	20.4	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-57.8	-44	177.6	0	0	0	0	0	112.3	Y318 R319 I320 M326 F767 V771	Y318-A322 WeakPolarHBondContact O-CB 3.3Å; Y318-A322 PolarHBondContact O-N 3.08Å; R319-A322 PolarHBondContact O-N 3.12Å; I320-A322 PolarHBondContact O-N 3.23Å; A322-M326 WeakPolarHBondContact O-CG 3.24Å; A322-M326 PolarHBondContact O-N 3.25Å; A322-M326 VanDerWaalsContact O-N 3.15Å; A322-F767 HydrophobicContact CB-CB 3.9Å; A322-V771 HydrophobicContact CB-CB 4.44Å; A322-V771 HydrophobicContact CB-CG2 3.89Å
323	T	72.8	Confident	71	Confident	2 Å²	2	13.2 Å²	13.2	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-67.2	-48.4	179.8	-53.5	0	0	0	0	110.4	S46 D50 R319 I320 Q321 M325 M326 I327	S46-T323 WeakPolarHBondContact O-CG2 3.43Å; D50-T323 HydrophobicContact CB-CG2 3.76Å; R319-T323 WeakPolarHBondContact O-CB 3.46Å; R319-T323 PolarHBondContact O-N 2.88Å; R319-T323 PolarHBondContact O-OG1 2.95Å; I320-T323 PolarHBondContact O-N 3.45Å; Q321-T323 VanDerWaalsContact C-N 3.3Å; Q321-T323 PolarHBondContact O-N 2.81Å; T323-M325 VanDerWaalsContact C-N 3.31Å; T323-M325 PolarHBondContact O-N 3.43Å; T323-M326 WeakPolarHBondContact O-CB 3.44Å; T323-M326 PolarHBondContact O-N 2.9Å; T323-I327 HydrophobicContact CG2-CD1 3.44Å; T323-I327 VanDerWaalsContact CG2-CD1 3.44Å; T323-I327 HydrophobicContact CG2-CG1 4.36Å; T323-I327 WeakPolarHBondContact O-CD1 3.34Å; T323-I327 WeakPolarHBondContact O-CG1 3.49Å; T323-I327 PolarHBondContact O-N 3.32Å
324	R	76.6	Confident	70.8	Confident	19 Å²	19	16 Å²	16	7%	0.072	8%	0.079	C	C	.	.	H	α-helix	trans	-59.9	-37.1	176.9	-72	179	-175.5	-171.8	11.1	113.2	D50 I320 Q321 I327 G328 A329 V332 I655 E666	D50-R324 IonicContact OD2-NE 2.82Å; I320-R324 HydrophobicContact CG2-CG 4.43Å; I320-R324 WeakPolarHBondContact O-CB 3.22Å; I320-R324 WeakPolarHBondContact O-CG 3.47Å; I320-R324 PolarHBondContact O-N 3.06Å; Q321-R324 PolarHBondContact O-N 3.47Å; R324-I327 PolarHBondContact O-N 3.13Å; R324-G328 PolarHBondContact O-N 3.28Å; R324-A329 HydrophobicContact CB-CB 3.99Å; R324-A329 HydrophobicContact CG-CB 4.34Å; R324-A329 WeakPolarHBondContact O-CB 2.95Å; R324-A329 PolarHBondContact O-N 3.46Å; R324-V332 VanDerWaalsContact CD-CG2 3.49Å; R324-I655 PolarHBondContact NH2-O 3.41Å; R324-I655 VanDerWaalsContact NH2-O 3.11Å; R324-E666 IonicContact NH1-OE1 3.15Å
325	M	71.6	Confident	70.9	Confident	69 Å²	69	17.2 Å²	17.2	34%	0.34	8%	0.081	S	C	.	.	H	α-helix	trans	-64.8	-39.4	173.4	-71	-176.4	82	0	0	112.6	Q321 T323 I327 G328 D674	Q321-M325 HydrophobicContact CG-SD 4.28Å; Q321-M325 WeakPolarHBondContact O-CB 3.46Å; Q321-M325 VanDerWaalsContact O-CG 3.28Å; Q321-M325 WeakPolarHBondContact O-CG 3.29Å; Q321-M325 PolarHBondContact O-N 3.4Å; T323-M325 VanDerWaalsContact C-N 3.31Å; T323-M325 PolarHBondContact O-N 3.43Å; M325-I327 VanDerWaalsContact C-N 3.26Å; M325-I327 PolarHBondContact O-N 2.95Å; M325-G328 PolarHBondContact O-N 3.13Å; M325-D674 HydrophobicContact CE-CB 3.74Å
326	M	70.3	Confident	70.9	Confident	35 Å²	35	18.7 Å²	18.7	17%	0.172	9%	0.089	C	C	.	.	H	α-helix	trans	-65.2	-29.9	176.7	-74	-169.8	-74.5	0	0	113.3	A322 T323 M694 F767	A322-M326 WeakPolarHBondContact O-CG 3.24Å; A322-M326 PolarHBondContact O-N 3.25Å; A322-M326 VanDerWaalsContact O-N 3.15Å; T323-M326 WeakPolarHBondContact O-CB 3.44Å; T323-M326 PolarHBondContact O-N 2.9Å; M326-M694 WeakPolarHBondContact O-CE 3.36Å; M326-F767 HydrophobicContact CE-CB 4.17Å; M326-F767 HydrophobicContact CE-CD2 3.74Å; M326-F767 HydrophobicContact CE-CE2 4.37Å; M326-F767 HydrophobicContact CE-CG 4.1Å; M326-F767 HydrophobicContact CG-CD1 4.47Å; M326-F767 HydrophobicContact CG-CD2 4.37Å; M326-F767 HydrophobicContact CG-CE1 4.49Å; M326-F767 HydrophobicContact CG-CE2 4.38Å; M326-F767 HydrophobicContact CG-CG 4.41Å; M326-F767 HydrophobicContact CG-CZ 4.44Å; M326-F767 HydrophobicContact SD-CB 4.39Å; M326-F767 HydrophobicContact SD-CD1 4.22Å; M326-F767 HydrophobicContact SD-CD2 3.16Å; M326-F767 WeakPolarHBondContact SD-CD2 3.09Å; M326-F767 HydrophobicContact SD-CE1 4.28Å; M326-F767 HydrophobicContact SD-CE2 3.23Å; M326-F767 WeakPolarHBondContact SD-CE2 3.36Å; M326-F767 HydrophobicContact SD-CG 3.69Å; M326-F767 HydrophobicContact SD-CZ 3.81Å
327	I	73.9	Confident	70.7	Confident	8 Å²	8	20.5 Å²	20.5	4%	0.041	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	10.8	-172	-43.9	155.6	0	0	0	110.8	I47 T323 R324 M325 A329 T698 K702	I47-I327 HydrophobicContact CB-CD1 4.29Å; I47-I327 HydrophobicContact CD1-CG2 4.28Å; I47-I327 HydrophobicContact CG1-CD1 3.59Å; I47-I327 HydrophobicContact CG1-CG1 4.04Å; I47-I327 HydrophobicContact CG1-CG2 4.31Å; I47-I327 HydrophobicContact CG2-CD1 4.32Å; T323-I327 HydrophobicContact CG2-CD1 3.44Å; T323-I327 VanDerWaalsContact CG2-CD1 3.44Å; T323-I327 HydrophobicContact CG2-CG1 4.36Å; T323-I327 WeakPolarHBondContact O-CD1 3.34Å; T323-I327 WeakPolarHBondContact O-CG1 3.49Å; T323-I327 PolarHBondContact O-N 3.32Å; R324-I327 PolarHBondContact O-N 3.13Å; M325-I327 VanDerWaalsContact C-N 3.26Å; M325-I327 PolarHBondContact O-N 2.95Å; I327-A329 VanDerWaalsContact C-N 3.35Å; I327-A329 PolarHBondContact O-N 3.12Å; I327-T698 HydrophobicContact CG2-CG2 3.54Å; I327-T698 WeakPolarHBondContact CG2-OG1 3.26Å; I327-K702 HydrophobicContact CG2-CD 4.28Å; I327-K702 HydrophobicContact CG2-CG 4.29Å; I327-K702 WeakPolarHBondContact O-CE 3.48Å; I327-K702 PolarHBondContact O-NZ 2.76Å
328	G	66.2	Low	70	Confident	2 Å²	2	21.8 Å²	21.8	2%	0.021	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	31.3	179.1	0	0	0	0	0	114.1	R324 M325 S671	R324-G328 PolarHBondContact O-N 3.28Å; M325-G328 PolarHBondContact O-N 3.13Å; G328-S671 PolarHBondContact O-N 3.21Å
329	A	67.3	Low	69.6	Low	10 Å²	10	23.6 Å²	23.6	8%	0.083	12%	0.121	C	C	.	.			trans	-99.8	0.9	177.8	0	0	0	0	0	113.7	R324 I327	R324-A329 HydrophobicContact CB-CB 3.99Å; R324-A329 HydrophobicContact CG-CB 4.34Å; R324-A329 WeakPolarHBondContact O-CB 2.95Å; R324-A329 PolarHBondContact O-N 3.46Å; I327-A329 VanDerWaalsContact C-N 3.35Å; I327-A329 PolarHBondContact O-N 3.12Å
330	G	70.1	Confident	69.1	Low	3 Å²	3	26.2 Å²	26.2	3%	0.031	14%	0.135	C	C	.	.			trans	76.5	-172.5	173.8	0	0	0	0	0	115.2
331	N	73.1	Confident	68.3	Low	23 Å²	23	27.9 Å²	27.9	12%	0.123	15%	0.15	C	C	.	.			trans	-83.1	123.8	177.6	-174.4	-30.2	0	0	0	110.5	Q321 L333 K334 R335 D674	Q321-N331 PolarHBondContact NE2-ND2 2.61Å; Q321-N331 PolarHBondContact NE2-OD1 3.23Å; N331-L333 VanDerWaalsContact C-N 3.32Å; N331-L333 PolarHBondContact O-N 3.31Å; N331-L333 PolarHBondContact OD1-N 3.03Å; N331-K334 HydrophobicContact CB-CB 4.3Å; N331-K334 HydrophobicContact CB-CD 4.36Å; N331-K334 HydrophobicContact CB-CG 4.4Å; N331-K334 PolarHBondContact O-N 2.86Å; N331-R335 WeakPolarHBondContact O-CB 3.48Å; N331-R335 PolarHBondContact O-N 3.14Å; N331-D674 PolarHBondContact ND2-OD2 3.25Å
332	V	71.6	Confident	67.5	Low	6 Å²	6	34.2 Å²	34.2	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-56	-43.6	-174.1	-177.1	0	0	0	0	112.5	F317 R324 H336 V654	F317-V332 HydrophobicContact CE2-CB 4.48Å; R324-V332 VanDerWaalsContact CD-CG2 3.49Å; V332-H336 PolarHBondContact O-N 3.39Å; V332-H336 VanDerWaalsContact O-N 3.08Å; V332-V654 HydrophobicContact CG1-CG1 4.19Å
333	L	67	Low	66.8	Low	5 Å²	5	40.2 Å²	40.2	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-71.7	-46.2	-174.7	-139.6	76.9	0	0	0	111.6	Y305 L308 L309 F317 N331 R335 H336 V337 L651 V654	Y305-L333 HydrophobicContact CD2-CD2 4.19Å; Y305-L333 HydrophobicContact CD2-CG 4.46Å; Y305-L333 HydrophobicContact CE2-CB 4.47Å; Y305-L333 HydrophobicContact CE2-CD2 3.97Å; Y305-L333 HydrophobicContact CE2-CG 4.35Å; L308-L333 HydrophobicContact CB-CD1 4.08Å; L308-L333 HydrophobicContact CB-CD2 4.04Å; L308-L333 HydrophobicContact CB-CG 4.33Å; L308-L333 HydrophobicContact CD1-CD1 4.38Å; L309-L333 HydrophobicContact CD2-CD2 3.63Å; L309-L333 HydrophobicContact CG-CD2 3.74Å; F317-L333 HydrophobicContact CE2-CD1 4.32Å; F317-L333 HydrophobicContact CZ-CD1 4.43Å; N331-L333 VanDerWaalsContact C-N 3.32Å; N331-L333 PolarHBondContact O-N 3.31Å; N331-L333 PolarHBondContact OD1-N 3.03Å; L333-R335 VanDerWaalsContact C-N 3.28Å; L333-R335 PolarHBondContact O-N 3.28Å; L333-H336 PolarHBondContact O-N 2.95Å; L333-V337 WeakPolarHBondContact O-CG2 3.07Å; L333-V337 PolarHBondContact O-N 3.07Å; L333-L651 HydrophobicContact CD1-CD1 4.16Å; L333-V654 HydrophobicContact CD1-CG1 4.22Å
334	K	67.5	Low	65.8	Low	100 Å²	100	42.6 Å²	42.6	44%	0.435	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-38.5	177.3	-70.5	-175.3	175.7	177.4	0	111.4	N331 A338 D674	N331-K334 HydrophobicContact CB-CB 4.3Å; N331-K334 HydrophobicContact CB-CD 4.36Å; N331-K334 HydrophobicContact CB-CG 4.4Å; N331-K334 PolarHBondContact O-N 2.86Å; K334-A338 PolarHBondContact O-N 2.93Å; K334-A338 VanDerWaalsContact O-N 3.13Å; K334-D674 IonicContact NZ-OD1 2.6Å; K334-D674 PolarHBondContact NZ-OD1 3.16Å
335	R	66.7	Low	64.6	Low	42 Å²	42	47 Å²	47	16%	0.158	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-45.9	177.8	-178.8	178.4	178	150.3	5.9	112.6	N331 L333 V337 A338 D339 E666 T669 S671	N331-R335 WeakPolarHBondContact O-CB 3.48Å; N331-R335 PolarHBondContact O-N 3.14Å; L333-R335 VanDerWaalsContact C-N 3.28Å; L333-R335 PolarHBondContact O-N 3.28Å; R335-V337 PolarHBondContact O-N 2.97Å; R335-A338 PolarHBondContact O-N 3.38Å; R335-A338 VanDerWaalsContact O-N 3.08Å; R335-D339 IonicContact NE-OD2 2.69Å; R335-D339 PolarHBondContact O-N 3.23Å; R335-E666 IonicContact NH1-OE1 3.58Å; R335-T669 PolarHBondContact NH2-OG1 3.38Å; R335-S671 PolarHBondContact NH1-OG 3.04Å
336	H	67.1	Low	63.6	Low	49 Å²	49	48.7 Å²	48.7	23%	0.227	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-37.3	179.4	-178.6	-86.9	0	0	0	112.1	V332 L333 N340 V654	V332-H336 PolarHBondContact O-N 3.39Å; V332-H336 VanDerWaalsContact O-N 3.08Å; L333-H336 PolarHBondContact O-N 2.95Å; H336-N340 PolarHBondContact CE1-ND2 3.49Å; H336-N340 WeakPolarHBondContact O-CB 3.33Å; H336-N340 PolarHBondContact O-N 3.26Å; H336-V654 HydrophobicContact CB-CG1 3.79Å
337	V	62.4	Low	62.3	Low	39 Å²	39	51.7 Å²	51.7	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-49.9	171.9	177.3	0	0	0	0	110.8	E301 Y305 L333 R335 D339 N340 A341	E301-V337 HydrophobicContact CG-CG1 4.48Å; Y305-V337 HydrophobicContact CD2-CG2 3.46Å; Y305-V337 VanDerWaalsContact CD2-CG2 3.46Å; Y305-V337 HydrophobicContact CE2-CG2 4.27Å; Y305-V337 HydrophobicContact CG-CG2 4.01Å; L333-V337 WeakPolarHBondContact O-CG2 3.07Å; L333-V337 PolarHBondContact O-N 3.07Å; R335-V337 PolarHBondContact O-N 2.97Å; V337-D339 VanDerWaalsContact C-N 3.3Å; V337-D339 PolarHBondContact O-N 2.77Å; V337-N340 PolarHBondContact O-N 3.36Å; V337-A341 WeakPolarHBondContact O-CB 3.46Å; V337-A341 PolarHBondContact O-N 3.38Å
338	A	60.6	Low	60.7	Low	29 Å²	29	58.3 Å²	58.3	24%	0.24	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-38.6	178.7	0	0	0	0	0	113.2	K334 R335 R342	K334-A338 PolarHBondContact O-N 2.93Å; K334-A338 VanDerWaalsContact O-N 3.13Å; R335-A338 PolarHBondContact O-N 3.38Å; R335-A338 VanDerWaalsContact O-N 3.08Å; A338-R342 VanDerWaalsContact O-CG 3.24Å; A338-R342 WeakPolarHBondContact O-CG 3.35Å; A338-R342 PolarHBondContact O-N 3.07Å; A338-R342 VanDerWaalsContact O-N 3.14Å
339	D	62	Low	59.5	Low	44 Å²	44	66.6 Å²	66.6	24%	0.235	35%	0.352	C	S	.	.	H	α-helix	trans	-71.4	-34.7	178.3	-73.7	-26.1	0	0	0	112.1	R335 V337 R343	R335-D339 IonicContact NE-OD2 2.69Å; R335-D339 PolarHBondContact O-N 3.23Å; V337-D339 VanDerWaalsContact C-N 3.3Å; V337-D339 PolarHBondContact O-N 2.77Å; D339-R343 WeakPolarHBondContact O-CG 3.33Å; D339-R343 PolarHBondContact O-N 2.73Å; D339-R343 VanDerWaalsContact O-N 3.11Å
340	N	61.4	Low	58.4	Low	59 Å²	59	74.5 Å²	74.5	32%	0.316	39%	0.387	S	S	.	.	H	α-helix	trans	-72	-42.1	174.5	-81.7	-2.6	0	0	0	112.6	H336 V337 R342 R343 A344	H336-N340 PolarHBondContact CE1-ND2 3.49Å; H336-N340 WeakPolarHBondContact O-CB 3.33Å; H336-N340 PolarHBondContact O-N 3.26Å; V337-N340 PolarHBondContact O-N 3.36Å; N340-R342 PolarHBondContact O-N 2.99Å; N340-R343 PolarHBondContact O-N 3.46Å; N340-R343 PolarHBondContact OD1-NH1 2.88Å; N340-A344 PolarHBondContact O-N 3.37Å
341	A	58.5	Low	56.7	Low	36 Å²	36	83.4 Å²	83.4	30%	0.298	43%	0.428	S	S	.	.	H	α-helix	trans	-57.2	-39.1	172.5	0	0	0	0	0	111.5	E301 V337 V345	E301-A341 PolarHBondContact OE1-N 3.13Å; V337-A341 WeakPolarHBondContact O-CB 3.46Å; V337-A341 PolarHBondContact O-N 3.38Å; A341-V345 WeakPolarHBondContact O-CG2 3.49Å; A341-V345 PolarHBondContact O-N 2.85Å
342	R	59.2	Low	55.2	Low	136 Å²	136	86.9 Å²	86.9	51%	0.513	46%	0.459	S	S	.	.	H	α-helix	trans	-68.4	-32.8	174.6	-71.9	169.6	-174.6	-169.2	0	113.4	A338 N340 V346 E684	A338-R342 VanDerWaalsContact O-CG 3.24Å; A338-R342 WeakPolarHBondContact O-CG 3.35Å; A338-R342 PolarHBondContact O-N 3.07Å; A338-R342 VanDerWaalsContact O-N 3.14Å; N340-R342 PolarHBondContact O-N 2.99Å; R342-V346 WeakPolarHBondContact O-CG2 3.49Å; R342-E684 IonicContact CZ-OE1 2.8Å; R342-E684 IonicContact NE-OE1 3.95Å; R342-E684 IonicContact NH2-OE1 3.96Å; R342-E684 PolarHBondContact NH2-OE1 3.09Å; R342-E684 IonicContact NH2-OE2 3.47Å; R342-E684 PolarHBondContact NH2-OE2 2.83Å; R342-E684 VanDerWaalsContact NH2-OE2 3.16Å
343	R	56.8	Low	53.8	Low	129 Å²	129	95.7 Å²	95.7	49%	0.487	50%	0.5	S	S	.	.	H	α-helix	trans	-74.1	-38.3	176.9	-74.5	172.9	-176.2	152.8	-0.7	111.8	D339 N340 V345 V346 T347 E662	D339-R343 WeakPolarHBondContact O-CG 3.33Å; D339-R343 PolarHBondContact O-N 2.73Å; D339-R343 VanDerWaalsContact O-N 3.11Å; N340-R343 PolarHBondContact O-N 3.46Å; N340-R343 PolarHBondContact OD1-NH1 2.88Å; R343-V345 VanDerWaalsContact C-N 3.31Å; R343-V345 PolarHBondContact O-N 3.37Å; R343-V346 PolarHBondContact O-N 3.15Å; R343-V346 VanDerWaalsContact O-N 3.08Å; R343-T347 PolarHBondContact O-N 3.38Å; R343-T347 PolarHBondContact O-OG1 3.34Å; R343-E662 IonicContact NH2-OE1 2.9Å; R343-E662 PolarHBondContact NH2-OE1 3.42Å; R343-E662 VanDerWaalsContact NH2-OE1 3.16Å
344	A	51.7	Low	52.7	Low	51 Å²	51	103.8 Å²	103.8	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-60.8	-39.8	177.9	0	0	0	0	0	112.2	N340 V346 T347	N340-A344 PolarHBondContact O-N 3.37Å; A344-V346 PolarHBondContact O-N 2.92Å; A344-T347 WeakPolarHBondContact CA-OG1 3.47Å; A344-T347 PolarHBondContact O-N 3.45Å; A344-T347 PolarHBondContact O-OG1 2.89Å
345	V	51.5	Low	52	Low	111 Å²	111	105.2 Å²	105.2	67%	0.673	55%	0.55	S	S	*	*	H	α-helix	trans	-65.7	-19.7	176.3	176.2	0	0	0	0	113.1	A341 R343	A341-V345 WeakPolarHBondContact O-CG2 3.49Å; A341-V345 PolarHBondContact O-N 2.85Å; R343-V345 VanDerWaalsContact C-N 3.31Å; R343-V345 PolarHBondContact O-N 3.37Å
346	V	50.3	Low	51.4	Low	106 Å²	106	108.2 Å²	108.2	64%	0.642	57%	0.569	S	S	*	*	H	α-helix	trans	-91.4	-20.3	-179.5	176.4	0	0	0	0	112	R342 R343 A344	R342-V346 WeakPolarHBondContact O-CG2 3.49Å; R343-V346 PolarHBondContact O-N 3.15Å; R343-V346 VanDerWaalsContact O-N 3.08Å; A344-V346 PolarHBondContact O-N 2.92Å
347	T	43.7	Very low	51	Low	97 Å²	97	110 Å²	110	60%	0.595	58%	0.581	S	S	*	*	H	α-helix	trans	-84.2	-14.6	-178.4	28.5	0	0	0	0	114.9	R343 A344 E349	R343-T347 PolarHBondContact O-N 3.38Å; R343-T347 PolarHBondContact O-OG1 3.34Å; A344-T347 WeakPolarHBondContact CA-OG1 3.47Å; A344-T347 PolarHBondContact O-N 3.45Å; A344-T347 PolarHBondContact O-OG1 2.89Å; T347-E349 PolarHBondContact O-N 2.88Å
348	D	39.1	Very low	50.9	Low	148 Å²	148	111 Å²	111	79%	0.791	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-2.5	178.4	-79.6	-12.4	0	0	0	114.1
349	E	41.9	Very low	51.1	Low	176 Å²	176	113.1 Å²	113.1	82%	0.822	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-3.7	-179.9	-69.9	-169.5	159	0	0	114.5	T347	T347-E349 PolarHBondContact O-N 2.88Å
350	E	43.8	Very low	51.8	Low	175 Å²	175	111.4 Å²	111.4	82%	0.818	59%	0.594	S	S	*	*			trans	-143.8	78.3	-175.6	-68.3	-175.7	166.4	0	0	113
351	E	33.9	Very low	52.9	Low	191 Å²	191	108.9 Å²	108.9	89%	0.893	58%	0.58	S	S	*	*			trans	-124.1	113.7	150.2	-80.9	-168.3	166	0	0	110.7	E353	E351-E353 PolarHBondContact O-N 3.26Å
352	A	42.8	Very low	54.3	Low	95 Å²	95	108.8 Å²	108.8	79%	0.785	57%	0.574	S	S	*	*			trans	-87.4	97.4	-176	0	0	0	0	0	110.6
353	E	42.1	Very low	55.7	Low	191 Å²	191	102.3 Å²	102.3	89%	0.893	55%	0.549	S	S	*	.			trans	-129.9	0.4	156.1	-70.8	-167.5	165	0	0	112.8	E351	E351-E353 PolarHBondContact O-N 3.26Å
354	E	44.2	Very low	57.3	Low	176 Å²	176	97.1 Å²	97.1	82%	0.822	53%	0.533	S	S	*	.	S	Bend	trans	-88.8	-8.5	-178.8	-75.3	-168.6	152	0	0	115.6	D356	E354-D356 PolarHBondContact O-N 3.43Å
355	D	51.5	Low	59.3	Low	129 Å²	129	94.9 Å²	94.9	69%	0.69	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.8	-165	-146.1	18.1	0	0	0	115.1
356	D	55.3	Low	61.1	Low	105 Å²	105	95.8 Å²	95.8	56%	0.561	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-30.6	-178	-93.3	0.6	0	0	0	113.8	E354 A358	E354-D356 PolarHBondContact O-N 3.43Å; D356-A358 VanDerWaalsContact C-N 3.32Å
357	L	57.7	Low	62.7	Low	88 Å²	88	94.1 Å²	94.1	46%	0.461	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-19.9	179.4	-86.2	154.9	0	0	0	113.1	V359 G387 G388	L357-V359 VanDerWaalsContact C-N 3.31Å; L357-V359 PolarHBondContact O-N 3.33Å; L357-G387 WeakPolarHBondContact O-CA 3.1Å; L357-G388 PolarHBondContact O-N 3.47Å
358	A	61.5	Low	64.5	Low	58 Å²	58	91.1 Å²	91.1	48%	0.479	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-26	179.9	0	0	0	0	0	112.8	D356	D356-A358 VanDerWaalsContact C-N 3.32Å
359	V	63.9	Low	66.8	Low	75 Å²	75	90.8 Å²	90.8	46%	0.455	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-27.9	-168.4	-172.1	0	0	0	0	113.4	L357 M469	L357-V359 VanDerWaalsContact C-N 3.31Å; L357-V359 PolarHBondContact O-N 3.33Å; V359-M469 HydrophobicContact CB-CE 4.09Å; V359-M469 HydrophobicContact CG1-CE 3.95Å; V359-M469 HydrophobicContact CG1-SD 4.34Å
360	C	78	Confident	68.9	Low	8 Å²	8	83.6 Å²	83.6	5%	0.054	45%	0.448	C	S	.	.			trans	-122.9	132.8	-174.2	-173.8	0	0	0	0	112.8	G387 G388 P470	C360-G387 CarbonylContact O-C 3.38Å; C360-G388 PolarHBondContact O-N 2.85Å; C360-P470 PolarHBondContact SG-O 2.93Å
361	S	83.2	Confident	70.9	Confident	5 Å²	5	81.7 Å²	81.7	4%	0.035	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.5	174.5	-61.2	0	0	0	0	111.8	G387 K471 A472 R473	S361-G387 WeakPolarHBondContact CA-O 3.49Å; S361-G387 WeakPolarHBondContact CB-O 3.32Å; S361-G387 PolarHBondContact OG-O 2.99Å; S361-K471 PolarHBondContact N-O 3.25Å; S361-K471 VanDerWaalsContact N-O 3.16Å; S361-A472 CarbonylContact O-C 3.5Å; S361-A472 WeakPolarHBondContact O-CA 3.43Å; S361-A472 WeakPolarHBondContact O-CB 3.36Å; S361-R473 PolarHBondContact O-N 2.9Å
362	H	87.7	Confident	73.4	Confident	34 Å²	34	73.2 Å²	73.2	16%	0.157	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.5	175.6	-67.5	-178.6	0	0	0	110.5	C385 Q386 R473 V475	H362-C385 CarbonylContact O-C 3.43Å; H362-C385 WeakPolarHBondContact O-CA 3.33Å; H362-Q386 PolarHBondContact N-O 3.17Å; H362-Q386 PolarHBondContact O-N 2.96Å; H362-R473 PolarHBondContact CD2-NE 3.1Å; H362-R473 PolarHBondContact CE1-NH2 2.98Å; H362-R473 VanDerWaalsContact NE2-CZ 3.34Å; H362-R473 PolarHBondContact NE2-NE 3.16Å; H362-R473 PolarHBondContact NE2-NH2 3.2Å; H362-V475 HydrophobicContact CB-CB 4.44Å; H362-V475 HydrophobicContact CB-CG2 3.72Å
363	I	89.1	Confident	75.3	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.7	175.6	-59.5	164.4	0	0	0	109.6	V383 V384 C385 F394 V396 F420 L452 R473 L474 V475	I363-V383 HydrophobicContact CG2-CG1 3.7Å; I363-V384 WeakPolarHBondContact CA-O 3.34Å; I363-C385 HydrophobicContact CG1-CB 4.06Å; I363-F394 HydrophobicContact CD1-CB 3.78Å; I363-F394 HydrophobicContact CD1-CD2 4.08Å; I363-F394 HydrophobicContact CD1-CG 3.96Å; I363-V396 HydrophobicContact CD1-CG2 3.98Å; I363-V396 HydrophobicContact CG2-CG2 4.23Å; I363-F420 HydrophobicContact CG2-CE2 4.27Å; I363-F420 HydrophobicContact CG2-CZ 4.43Å; I363-L452 HydrophobicContact CD1-CD1 3.74Å; I363-R473 PolarHBondContact N-O 3.31Å; I363-L474 HydrophobicContact CB-CD2 4.27Å; I363-L474 HydrophobicContact CG2-CD2 4.31Å; I363-L474 WeakPolarHBondContact O-CA 3.31Å; I363-V475 PolarHBondContact O-N 3.06Å
364	S	91.4	Very high	77.2	Confident	20 Å²	20	62.1 Å²	62.1	14%	0.14	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	167.3	-179.8	65.6	0	0	0	0	111	V383 V384 V475	S364-V383 WeakPolarHBondContact O-CA 3.31Å; S364-V383 WeakPolarHBondContact O-CG1 3.46Å; S364-V384 PolarHBondContact N-O 2.84Å; S364-V384 PolarHBondContact O-N 3.05Å; S364-V475 WeakPolarHBondContact CB-O 3.46Å
365	F	92.1	Very high	79	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	149.1	163.9	-75.6	-74.6	0	0	0	110.6	T367 L381 V383 I429 V447 L449 P477 A480	F365-T367 WeakPolarHBondContact CB-O 3.33Å; F365-L381 HydrophobicContact CE1-CB 4.37Å; F365-V383 HydrophobicContact CD1-CG2 3.78Å; F365-V383 HydrophobicContact CE1-CG2 3.76Å; F365-I429 HydrophobicContact CE1-CD1 4.01Å; F365-I429 HydrophobicContact CZ-CD1 4.36Å; F365-V447 HydrophobicContact CE1-CG1 4.49Å; F365-V447 VanDerWaalsContact CE2-O 3.25Å; F365-V447 WeakPolarHBondContact CE2-O 3.46Å; F365-V447 HydrophobicContact CZ-CB 4.11Å; F365-V447 HydrophobicContact CZ-CG1 3.93Å; F365-V447 WeakPolarHBondContact CZ-O 3.03Å; F365-L449 HydrophobicContact CD2-CD1 3.82Å; F365-L449 HydrophobicContact CD2-CG 4.05Å; F365-L449 HydrophobicContact CE1-CD2 4.47Å; F365-L449 HydrophobicContact CE1-CG 4.47Å; F365-L449 HydrophobicContact CE2-CD1 3.82Å; F365-L449 HydrophobicContact CE2-CD2 4.27Å; F365-L449 HydrophobicContact CE2-CG 3.51Å; F365-L449 HydrophobicContact CG-CD1 4.24Å; F365-L449 HydrophobicContact CZ-CD1 4.22Å; F365-L449 HydrophobicContact CZ-CD2 3.98Å; F365-L449 HydrophobicContact CZ-CG 3.73Å; F365-P477 HydrophobicContact CB-CG 4.1Å; F365-P477 PolarHBondContact N-O 3.11Å; F365-A480 HydrophobicContact CD1-CB 3.97Å; F365-A480 HydrophobicContact CD2-CB 3.86Å; F365-A480 HydrophobicContact CE1-CB 4.01Å; F365-A480 HydrophobicContact CE2-CB 3.87Å; F365-A480 HydrophobicContact CG-CB 3.9Å; F365-A480 HydrophobicContact CZ-CB 3.97Å
366	E	89.9	Confident	80.4	Confident	131 Å²	131	53.9 Å²	53.9	61%	0.612	30%	0.299	S	S	*	.	S	Bend	trans	-66.5	-39.6	173.5	-174.7	172.4	-157.4	0	0	111.4	A382 V384	E366-A382 HydrophobicContact CB-CB 4.13Å; E366-A382 PolarHBondContact N-O 3.46Å; E366-A382 WeakPolarHBondContact OE2-CB 3.48Å; E366-V384 HydrophobicContact CB-CG1 4.15Å; E366-V384 HydrophobicContact CG-CG1 4.45Å
367	T	82.9	Confident	81.8	Confident	71 Å²	71	50.5 Å²	50.5	44%	0.436	29%	0.289	S	S	.	.			trans	-131.9	142.1	174.8	66.8	0	0	0	0	110.8	F365 H369	F365-T367 WeakPolarHBondContact CB-O 3.33Å; T367-H369 VanDerWaalsContact C-N 3.32Å; T367-H369 PolarHBondContact OG1-O 2.84Å; T367-H369 VanDerWaalsContact OG1-O 3.07Å
368	A	83.6	Confident	83.3	Confident	33 Å²	33	50.3 Å²	50.3	27%	0.273	29%	0.291	S	S	.	.	S	Bend	trans	-77.7	-20	176.9	0	0	0	0	0	113.1	P477 A480 T481	A368-P477 HydrophobicContact CB-CB 3.61Å; A368-P477 HydrophobicContact CB-CG 3.87Å; A368-A480 WeakPolarHBondContact O-CA 3.38Å; A368-T481 PolarHBondContact O-N 3.32Å
369	H	86.1	Confident	84.7	Confident	141 Å²	141	48.1 Å²	48.1	65%	0.653	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.4	-178.8	-55.9	80.4	0	0	0	108.2	T367 T481	T367-H369 VanDerWaalsContact C-N 3.32Å; T367-H369 PolarHBondContact OG1-O 2.84Å; T367-H369 VanDerWaalsContact OG1-O 3.07Å; H369-T481 CarbonylContact C-O 3.59Å; H369-T481 WeakPolarHBondContact CA-O 3.43Å
370	S	86.2	Confident	86	Confident	26 Å²	26	47.7 Å²	47.7	18%	0.182	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.8	175	-165.6	0	0	0	0	109	T481 V482 T483	S370-T481 PolarHBondContact N-O 3.23Å; S370-V482 CarbonylContact O-C 3.59Å; S370-V482 VanDerWaalsContact O-CA 3.29Å; S370-V482 WeakPolarHBondContact O-CA 3.42Å; S370-T483 PolarHBondContact O-N 3.43Å
371	Q	85.8	Confident	86.6	Confident	135 Å²	135	47.6 Å²	47.6	63%	0.631	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.3	179.6	-62.3	-176.7	-22.6	0	0	108.6	T483 L485	Q371-T483 WeakPolarHBondContact CA-O 3.44Å; Q371-L485 HydrophobicContact CB-CD1 4.29Å
372	C	85.8	Confident	87	Confident	12 Å²	12	48.5 Å²	48.5	8%	0.081	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.5	172.8	53.3	0	0	0	0	110.7	C376 L379 T483 I484 L485	C372-C376 HydrophobicContact CB-CB 4.48Å; C372-L379 HydrophobicContact CB-CD1 3.89Å; C372-T483 PolarHBondContact N-O 2.74Å; C372-I484 WeakPolarHBondContact O-CA 3.48Å; C372-L485 PolarHBondContact O-N 2.98Å
373	M	82.4	Confident	87.2	Confident	43 Å²	43	46.9 Å²	46.9	21%	0.212	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	148.5	169.7	-57.1	-61.8	-77.5	0	0	109	N375 C376 L485 D487	M373-N375 WeakPolarHBondContact CB-OD1 3.42Å; M373-N375 PolarHBondContact O-N 3.49Å; M373-C376 VanDerWaalsContact O-CB 3.24Å; M373-C376 WeakPolarHBondContact O-CB 3.41Å; M373-C376 PolarHBondContact O-N 3.16Å; M373-C376 PolarHBondContact O-SG 2.97Å; M373-L485 HydrophobicContact SD-CB 4.01Å; M373-L485 HydrophobicContact SD-CD1 4.34Å; M373-D487 HydrophobicContact CE-CB 3.3Å
374	E	82.6	Confident	87.3	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.047	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-52.5	-43.4	175.6	-153.8	-170.2	153.6	0	0	112	C376 I433 I434 D436 I484 L485	E374-C376 PolarHBondContact O-N 2.9Å; E374-I433 WeakPolarHBondContact O-CG2 3.04Å; E374-I434 VanDerWaalsContact CG-O 3.22Å; E374-I434 WeakPolarHBondContact CG-O 3.5Å; E374-D436 PolarHBondContact OE1-N 3.49Å; E374-I484 HydrophobicContact CB-CG2 4.24Å; E374-I484 HydrophobicContact CG-CG2 4.21Å; E374-L485 PolarHBondContact N-O 3.28Å; E374-L485 VanDerWaalsContact N-O 3.13Å
375	N	81.5	Confident	87	Confident	79 Å²	79	47.7 Å²	47.7	42%	0.422	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-69.8	1	178.2	74.7	15.9	0	0	0	116.7	M373 G377 D435 D487	M373-N375 WeakPolarHBondContact CB-OD1 3.42Å; M373-N375 PolarHBondContact O-N 3.49Å; N375-G377 PolarHBondContact O-N 3.42Å; N375-D435 VanDerWaalsContact CA-OD1 3.28Å; N375-D435 WeakPolarHBondContact CA-OD1 3.43Å; N375-D435 PolarHBondContact N-OD1 3.37Å; N375-D487 PolarHBondContact ND2-OD2 2.97Å
376	C	82.3	Confident	86.5	Confident	54 Å²	54	53.2 Å²	53.2	37%	0.365	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-71.3	-20.3	-174.7	75.6	0	0	0	0	113.2	C372 M373 E374 V378 I433	C372-C376 HydrophobicContact CB-CB 4.48Å; M373-C376 VanDerWaalsContact O-CB 3.24Å; M373-C376 WeakPolarHBondContact O-CB 3.41Å; M373-C376 PolarHBondContact O-N 3.16Å; M373-C376 PolarHBondContact O-SG 2.97Å; E374-C376 PolarHBondContact O-N 2.9Å; C376-V378 PolarHBondContact O-N 3.25Å; C376-I433 VanDerWaalsContact SG-CG1 3.6Å
377	G	83.4	Confident	85.8	Confident	34 Å²	34	48.7 Å²	48.7	35%	0.351	29%	0.287	S	S	.	.	S	Bend	trans	69.1	-43.8	178.6	0	0	0	0	0	115.3	N375 G432 I433	N375-G377 PolarHBondContact O-N 3.42Å; G377-G432 WeakPolarHBondContact O-CA 3.49Å; G377-I433 PolarHBondContact O-N 3.24Å
378	V	89.2	Confident	85.3	Confident	84 Å²	84	46.3 Å²	46.3	51%	0.509	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	116.7	176.5	-177.2	0	0	0	0	110.8	C376 K430 V431	C376-V378 PolarHBondContact O-N 3.25Å; V378-K430 HydrophobicContact CG1-CB 4.01Å; V378-K430 HydrophobicContact CG1-CG 4.46Å; V378-V431 CarbonylContact C-O 3.57Å; V378-V431 WeakPolarHBondContact CA-O 3.27Å
379	L	90.8	Very high	84.3	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.063	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.1	169.8	175.7	71.4	0	0	0	110.9	C372 L381 K430 V431 I433 F445 V482	C372-L379 HydrophobicContact CB-CD1 3.89Å; L379-L381 HydrophobicContact CD2-CD1 4.38Å; L379-L381 HydrophobicContact CD2-CD2 4.2Å; L379-L381 HydrophobicContact CD2-CG 4.16Å; L379-L381 HydrophobicContact CG-CD2 4.38Å; L379-L381 HydrophobicContact CG-CG 4.3Å; L379-K430 WeakPolarHBondContact O-CA 3.39Å; L379-V431 PolarHBondContact N-O 2.89Å; L379-V431 PolarHBondContact O-N 3.15Å; L379-I433 HydrophobicContact CB-CD1 4.17Å; L379-I433 HydrophobicContact CB-CG1 4.03Å; L379-F445 HydrophobicContact CD2-CZ 4.01Å; L379-V482 HydrophobicContact CD2-CB 4.09Å; L379-V482 HydrophobicContact CD2-CG1 3.33Å; L379-V482 HydrophobicContact CD2-CG2 3.61Å
380	T	91.8	Very high	83.4	Confident	65 Å²	65	46.2 Å²	46.2	40%	0.399	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122	174.9	-54.3	0	0	0	0	110.6	E428 I429 K430	T380-E428 HydrophobicContact CG2-CB 3.7Å; T380-E428 HydrophobicContact CG2-CG 3.76Å; T380-I429 CarbonylContact C-O 3.57Å; T380-I429 VanDerWaalsContact CA-O 3.31Å; T380-I429 WeakPolarHBondContact CA-O 3.16Å; T380-K430 HydrophobicContact CG2-CG 4.48Å
381	L	91.5	Very high	82.6	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.8	177.8	-63.1	171.8	0	0	0	110.4	F365 L379 E428 I429 V447 A480 V482	F365-L381 HydrophobicContact CE1-CB 4.37Å; L379-L381 HydrophobicContact CD2-CD1 4.38Å; L379-L381 HydrophobicContact CD2-CD2 4.2Å; L379-L381 HydrophobicContact CD2-CG 4.16Å; L379-L381 HydrophobicContact CG-CD2 4.38Å; L379-L381 HydrophobicContact CG-CG 4.3Å; L381-E428 CarbonylContact O-C 3.6Å; L381-E428 WeakPolarHBondContact O-CA 3.21Å; L381-I429 HydrophobicContact CB-CB 4.35Å; L381-I429 PolarHBondContact N-O 3.01Å; L381-I429 PolarHBondContact O-N 2.73Å; L381-V447 HydrophobicContact CD1-CB 3.86Å; L381-V447 HydrophobicContact CD1-CG1 4.21Å; L381-V447 HydrophobicContact CD1-CG2 3.45Å; L381-V447 VanDerWaalsContact CD1-CG2 3.45Å; L381-A480 HydrophobicContact CD1-CB 4.49Å; L381-V482 HydrophobicContact CD1-CG2 4Å; L381-V482 HydrophobicContact CD2-CG2 4.24Å
382	A	91.5	Very high	82.2	Confident	25 Å²	25	47.8 Å²	47.8	21%	0.207	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.1	179.5	0	0	0	0	0	112.2	E366 K427	E366-A382 HydrophobicContact CB-CB 4.13Å; E366-A382 PolarHBondContact N-O 3.46Å; E366-A382 WeakPolarHBondContact OE2-CB 3.48Å; A382-K427 WeakPolarHBondContact CA-O 3.43Å
383	V	91.7	Very high	82	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.2	173.4	-176.8	0	0	0	0	107.6	I363 S364 F365 L418 F420 Q426 K427 I429 L449	I363-V383 HydrophobicContact CG2-CG1 3.7Å; S364-V383 WeakPolarHBondContact O-CA 3.31Å; S364-V383 WeakPolarHBondContact O-CG1 3.46Å; F365-V383 HydrophobicContact CD1-CG2 3.78Å; F365-V383 HydrophobicContact CE1-CG2 3.76Å; V383-L418 HydrophobicContact CB-CD1 3.81Å; V383-L418 HydrophobicContact CG1-CD1 4.11Å; V383-L418 HydrophobicContact CG2-CD1 3.61Å; V383-F420 HydrophobicContact CB-CZ 4.12Å; V383-F420 HydrophobicContact CG1-CE2 4.3Å; V383-F420 HydrophobicContact CG1-CZ 3.81Å; V383-Q426 CarbonylContact O-C 3.56Å; V383-Q426 WeakPolarHBondContact O-CA 3.5Å; V383-K427 PolarHBondContact N-O 2.75Å; V383-K427 PolarHBondContact O-N 3.5Å; V383-I429 HydrophobicContact CG2-CD1 3.86Å; V383-I429 HydrophobicContact CG2-CG1 4.46Å; V383-L449 HydrophobicContact CG1-CD1 3.85Å; V383-L449 HydrophobicContact CG1-CD2 4.4Å; V383-L449 HydrophobicContact CG2-CD1 4.31Å; V383-L449 HydrophobicContact CG2-CD2 4.02Å
384	V	90.8	Very high	82.2	Confident	20 Å²	20	45.9 Å²	45.9	12%	0.121	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146	-173.9	-67.1	0	0	0	0	111.1	I363 S364 E366 T425	I363-V384 WeakPolarHBondContact CA-O 3.34Å; S364-V384 PolarHBondContact N-O 2.84Å; S364-V384 PolarHBondContact O-N 3.05Å; E366-V384 HydrophobicContact CB-CG1 4.15Å; E366-V384 HydrophobicContact CG-CG1 4.45Å; V384-T425 WeakPolarHBondContact CA-O 3.3Å
385	C	86	Confident	82.5	Confident	16 Å²	16	47 Å²	47	11%	0.108	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.4	172.5	-177.1	0	0	0	0	108.6	H362 I363 F420 T425	H362-C385 CarbonylContact O-C 3.43Å; H362-C385 WeakPolarHBondContact O-CA 3.33Å; I363-C385 HydrophobicContact CG1-CB 4.06Å; C385-F420 HydrophobicContact CB-CD1 3.77Å; C385-F420 HydrophobicContact CB-CE1 3.9Å; C385-F420 HydrophobicContact CB-CG 4.45Å; C385-T425 PolarHBondContact N-O 2.95Å
386	Q	81.8	Confident	82.9	Confident	120 Å²	120	43.2 Å²	43.2	56%	0.561	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.7	-176.6	-66.3	-177.1	-6.6	0	0	111.2	H362	H362-Q386 PolarHBondContact N-O 3.17Å; H362-Q386 PolarHBondContact O-N 2.96Å
387	G	74.8	Confident	83.4	Confident	36 Å²	36	42.1 Å²	42.1	37%	0.371	26%	0.255	S	S	.	.	S	Bend	trans	83.3	175	177.2	0	0	0	0	0	115.4	L357 C360 S361	L357-G387 WeakPolarHBondContact O-CA 3.1Å; C360-G387 CarbonylContact O-C 3.38Å; S361-G387 WeakPolarHBondContact CA-O 3.49Å; S361-G387 WeakPolarHBondContact CB-O 3.32Å; S361-G387 PolarHBondContact OG-O 2.99Å
388	G	71.2	Confident	83.9	Confident	22 Å²	22	42.3 Å²	42.3	23%	0.227	25%	0.245	C	C	.	.	S	Bend	trans	79.1	171.7	-176.9	0	0	0	0	0	114.9	L357 C360 G390	L357-G388 PolarHBondContact O-N 3.47Å; C360-G388 PolarHBondContact O-N 2.85Å; G388-G390 PolarHBondContact O-N 3.07Å
389	L	64	Low	84.1	Confident	134 Å²	134	43.3 Å²	43.3	70%	0.702	24%	0.24	S	C	*	.			trans	-72.8	-5.3	-172.1	-70.3	159.9	0	0	0	114.7	E391	L389-E391 HydrophobicContact CB-CG 4.37Å; L389-E391 PolarHBondContact O-N 3.26Å
390	G	65.7	Low	84.3	Confident	38 Å²	38	43 Å²	43	39%	0.392	24%	0.238	S	C	.	.	S	Bend	trans	68.3	12.4	175.9	0	0	0	0	0	115.6	G388 P422	G388-G390 PolarHBondContact O-N 3.07Å; G390-P422 VanDerWaalsContact O-CA 3.26Å; G390-P422 WeakPolarHBondContact O-CA 3.39Å; G390-P422 VanDerWaalsContact O-CB 3.24Å; G390-P422 WeakPolarHBondContact O-CB 3.41Å
391	E	70.3	Confident	84.3	Confident	149 Å²	149	42.6 Å²	42.6	70%	0.696	23%	0.232	S	C	*	.			trans	-92	-16.5	-174.6	-61.4	-172.4	150.5	0	0	114.3	L389	L389-E391 HydrophobicContact CB-CG 4.37Å; L389-E391 PolarHBondContact O-N 3.26Å
392	N	76.8	Confident	84.2	Confident	44 Å²	44	46.4 Å²	46.4	24%	0.235	25%	0.252	C	S	.	.	S	Bend	trans	-102.3	154.7	-172.2	-58.2	-43.2	0	0	0	112.6	F394 I454	N392-F394 HydrophobicContact CB-CE1 3.89Å; N392-F394 HydrophobicContact CB-CZ 3.95Å; N392-I454 HydrophobicContact CB-CG2 4.28Å
393	T	83.1	Confident	84	Confident	8 Å²	8	46.8 Å²	46.8	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.8	170.6	-52.5	0	0	0	0	110	Y395 V419 F420 G455	T393-Y395 HydrophobicContact CG2-CE2 3.85Å; T393-V419 HydrophobicContact CG2-CG1 3.76Å; T393-F420 CarbonylContact C-O 3.59Å; T393-F420 VanDerWaalsContact CA-O 3.26Å; T393-F420 WeakPolarHBondContact CA-O 3.41Å; T393-F420 VanDerWaalsContact CG2-O 3.3Å; T393-F420 WeakPolarHBondContact CG2-O 3.49Å; T393-G455 WeakPolarHBondContact CB-O 3.18Å; T393-G455 PolarHBondContact N-O 2.81Å; T393-G455 PolarHBondContact O-N 3.44Å
394	F	86.6	Confident	83.6	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.5	179.2	-50.3	-64	0	0	0	111.4	I363 N392 V419 F420 L452 I454 A472	I363-F394 HydrophobicContact CD1-CB 3.78Å; I363-F394 HydrophobicContact CD1-CD2 4.08Å; I363-F394 HydrophobicContact CD1-CG 3.96Å; N392-F394 HydrophobicContact CB-CE1 3.89Å; N392-F394 HydrophobicContact CB-CZ 3.95Å; F394-V419 CarbonylContact O-C 3.52Å; F394-V419 WeakPolarHBondContact O-CA 3.18Å; F394-F420 HydrophobicContact CB-CB 4.19Å; F394-F420 HydrophobicContact CD2-CB 4.28Å; F394-F420 PolarHBondContact N-O 2.97Å; F394-F420 PolarHBondContact O-N 3.33Å; F394-L452 HydrophobicContact CB-CD1 4.08Å; F394-I454 HydrophobicContact CD1-CG1 4.13Å; F394-I454 HydrophobicContact CD1-CG2 4.47Å; F394-I454 HydrophobicContact CE1-CD1 4.4Å; F394-I454 HydrophobicContact CE1-CG1 4.35Å; F394-I454 HydrophobicContact CE1-CG2 4.4Å; F394-A472 HydrophobicContact CD1-CB 3.76Å; F394-A472 HydrophobicContact CE1-CB 3.34Å; F394-A472 HydrophobicContact CZ-CB 3.82Å
395	Y	88.3	Confident	83.3	Confident	33 Å²	33	48.3 Å²	48.3	13%	0.129	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.6	174.5	-62.5	-97.9	0	0	0	108.8	T393 T417 L418 V419 L452 R453 D456 F461	T393-Y395 HydrophobicContact CG2-CE2 3.85Å; Y395-T417 HydrophobicContact CD1-CG2 4.22Å; Y395-L418 CarbonylContact C-O 3.1Å; Y395-L418 VanDerWaalsContact CA-O 3.32Å; Y395-L418 WeakPolarHBondContact CA-O 3.26Å; Y395-V419 HydrophobicContact CD1-CB 4.41Å; Y395-V419 HydrophobicContact CD1-CG1 4.17Å; Y395-V419 HydrophobicContact CD1-CG2 3.66Å; Y395-V419 HydrophobicContact CE1-CB 4.36Å; Y395-V419 HydrophobicContact CE1-CG1 3.75Å; Y395-V419 HydrophobicContact CE1-CG2 3.7Å; Y395-L452 CarbonylContact O-C 3.41Å; Y395-L452 WeakPolarHBondContact O-CA 3.45Å; Y395-R453 PolarHBondContact N-O 2.91Å; Y395-R453 PolarHBondContact O-N 3.14Å; Y395-D456 PolarHBondContact OH-O 3.26Å; Y395-F461 HydrophobicContact CD2-CE1 4.07Å; Y395-F461 HydrophobicContact CE2-CE1 4.38Å; Y395-F461 HydrophobicContact CG-CE1 4.41Å
396	V	90.7	Very high	83.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.7	179.8	-178.2	0	0	0	0	109.1	I363 T417 L418 L449 L452 L474	I363-V396 HydrophobicContact CD1-CG2 3.98Å; I363-V396 HydrophobicContact CG2-CG2 4.23Å; V396-T417 CarbonylContact O-C 3.49Å; V396-T417 WeakPolarHBondContact O-CA 3.36Å; V396-L418 PolarHBondContact N-O 3.5Å; V396-L418 PolarHBondContact O-N 3.12Å; V396-L449 HydrophobicContact CG1-CB 4.09Å; V396-L449 HydrophobicContact CG1-CD2 3.92Å; V396-L449 HydrophobicContact CG1-CG 4.45Å; V396-L452 HydrophobicContact CG2-CD1 3.56Å; V396-L474 HydrophobicContact CG1-CD2 4.14Å
397	D	92.3	Very high	83.6	Confident	30 Å²	30	47.7 Å²	47.7	16%	0.16	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	148.3	176.9	-59.5	-25.8	0	0	0	110.2	G416 T417 L449 L450 N451 R453	D397-G416 CarbonylContact C-O 3.6Å; D397-G416 WeakPolarHBondContact CA-O 3.1Å; D397-T417 WeakPolarHBondContact OD1-CB 3.46Å; D397-T417 VanDerWaalsContact OD1-CG2 3.27Å; D397-T417 WeakPolarHBondContact OD1-CG2 3.26Å; D397-T417 PolarHBondContact OD1-OG1 3.39Å; D397-L449 CarbonylContact O-C 3.58Å; D397-L449 WeakPolarHBondContact O-CA 3.49Å; D397-L450 HydrophobicContact CB-CB 4.38Å; D397-L450 PolarHBondContact N-O 3.03Å; D397-L450 PolarHBondContact O-N 2.8Å; D397-L450 VanDerWaalsContact O-O 3.1Å; D397-N451 HydrophobicContact CB-CB 4.27Å; D397-N451 VanDerWaalsContact OD2-CB 3.27Å; D397-N451 WeakPolarHBondContact OD2-CB 3.28Å; D397-N451 PolarHBondContact OD2-ND2 2.86Å; D397-R453 IonicContact OD1-CZ 3.66Å; D397-R453 IonicContact OD1-NH1 3.16Å; D397-R453 IonicContact OD1-NH2 3.14Å; D397-R453 PolarHBondContact OD1-NH2 3.15Å; D397-R453 IonicContact OD2-CZ 2.63Å; D397-R453 IonicContact OD2-NH1 3.58Å; D397-R453 PolarHBondContact OD2-NH1 3.42Å; D397-R453 IonicContact OD2-NH2 3.8Å; D397-R453 PolarHBondContact OD2-NH2 3.27Å
398	Y	94.1	Very high	83.9	Confident	38 Å²	38	48.9 Å²	48.9	15%	0.149	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.5	172.2	75.5	-89.2	0	0	0	111.1	E415 G416 L418 I429 V447 R448	Y398-E415 WeakPolarHBondContact O-CA 3.47Å; Y398-G416 WeakPolarHBondContact CD1-O 3.17Å; Y398-G416 PolarHBondContact N-O 3.49Å; Y398-G416 PolarHBondContact O-N 3.37Å; Y398-L418 HydrophobicContact CD1-CD2 4.24Å; Y398-L418 HydrophobicContact CD1-CG 3.99Å; Y398-L418 HydrophobicContact CE1-CD2 4.13Å; Y398-L418 HydrophobicContact CE1-CG 4.36Å; Y398-I429 HydrophobicContact CD1-CD1 3.95Å; Y398-I429 HydrophobicContact CD1-CG1 3.94Å; Y398-I429 HydrophobicContact CD2-CD1 3.85Å; Y398-I429 HydrophobicContact CD2-CG1 4.14Å; Y398-I429 HydrophobicContact CD2-CG2 3.73Å; Y398-I429 HydrophobicContact CE1-CD1 4.48Å; Y398-I429 HydrophobicContact CE1-CG1 4Å; Y398-I429 HydrophobicContact CE1-CG2 4.47Å; Y398-I429 HydrophobicContact CE2-CB 4.39Å; Y398-I429 HydrophobicContact CE2-CD1 4.44Å; Y398-I429 HydrophobicContact CE2-CG1 4.23Å; Y398-I429 HydrophobicContact CE2-CG2 3.35Å; Y398-I429 HydrophobicContact CG-CD1 3.58Å; Y398-I429 HydrophobicContact CG-CG1 4Å; Y398-I429 HydrophobicContact CG-CG2 4.45Å; Y398-V447 HydrophobicContact CD2-CG1 4.37Å; Y398-R448 VanDerWaalsContact CA-O 3.28Å; Y398-R448 WeakPolarHBondContact CA-O 3.34Å
399	R	93.4	Very high	84.3	Confident	106 Å²	106	50.7 Å²	50.7	40%	0.4	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.3	171.6	69.3	-178.7	-173.6	-168.8	0.8	111.6	E401 S414 E415 R448 L450	R399-E401 HydrophobicContact CG-CG 4.44Å; R399-E401 IonicContact CZ-OE1 2.78Å; R399-E401 IonicContact NE-OE1 2.96Å; R399-E401 PolarHBondContact NE-OE1 3.44Å; R399-E401 IonicContact NH2-OE1 2.71Å; R399-E401 PolarHBondContact NH2-OE1 3.29Å; R399-S414 WeakPolarHBondContact CA-O 3.48Å; R399-E415 HydrophobicContact CB-CB 4.23Å; R399-R448 PolarHBondContact N-O 3.29Å; R399-R448 PolarHBondContact O-N 2.93Å; R399-L450 HydrophobicContact CG-CD1 3.95Å
400	T	94.3	Very high	85.3	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	143.7	167.3	54.5	0	0	0	0	111.2	Y411 Y413 S414 V431 F445 F446 V447	T400-Y411 HydrophobicContact CG2-CE2 4.03Å; T400-Y413 WeakPolarHBondContact OG1-CD2 3.41Å; T400-S414 WeakPolarHBondContact CG2-OG 3.43Å; T400-S414 PolarHBondContact N-O 3.23Å; T400-S414 PolarHBondContact OG1-N 3.48Å; T400-S414 VanDerWaalsContact OG1-N 3.07Å; T400-S414 PolarHBondContact OG1-O 3.43Å; T400-V431 HydrophobicContact CG2-CG1 4.25Å; T400-V431 HydrophobicContact CG2-CG2 4.21Å; T400-F445 HydrophobicContact CG2-CD2 4.43Å; T400-F445 HydrophobicContact CG2-CE2 4.17Å; T400-F446 CarbonylContact C-O 3.21Å; T400-F446 VanDerWaalsContact CA-O 3.31Å; T400-F446 WeakPolarHBondContact CA-O 3.29Å; T400-V447 HydrophobicContact CG2-CG2 4.1Å
401	E	91	Very high	86.5	Confident	58 Å²	58	43.3 Å²	43.3	27%	0.271	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.1	175.4	-65.8	178.9	175.9	0	0	108.9	R399 F446	R399-E401 HydrophobicContact CG-CG 4.44Å; R399-E401 IonicContact CZ-OE1 2.78Å; R399-E401 IonicContact NE-OE1 2.96Å; R399-E401 PolarHBondContact NE-OE1 3.44Å; R399-E401 IonicContact NH2-OE1 2.71Å; R399-E401 PolarHBondContact NH2-OE1 3.29Å; E401-F446 HydrophobicContact CB-CB 4.32Å; E401-F446 PolarHBondContact N-O 3.42Å; E401-F446 PolarHBondContact O-N 2.85Å
402	D	90.2	Very high	87.5	Confident	86 Å²	86	40.5 Å²	40.5	46%	0.46	24%	0.239	S	C	.	.			trans	-64	143.1	-179.8	-57.4	-39	0	0	0	111.4	A407 Y411	D402-A407 WeakPolarHBondContact OD1-CB 3.41Å; D402-A407 PolarHBondContact OD1-N 3.16Å; D402-Y411 PolarHBondContact N-OH 2.91Å; D402-Y411 PolarHBondContact OD1-OH 2.96Å
403	G	86.8	Confident	88.1	Confident	33 Å²	33	44.6 Å²	44.6	34%	0.34	25%	0.252	S	S	.	.	S	Bend	trans	-116.8	-110.9	173.3	0	0	0	0	0	110.3	A405 H444	G403-A405 PolarHBondContact N-O 2.63Å; G403-H444 CarbonylContact C-O 3.57Å; G403-H444 WeakPolarHBondContact CA-O 3.17Å; G403-H444 PolarHBondContact N-O 3.1Å
404	S	82.9	Confident	88.5	Confident	51 Å²	51	45.1 Å²	45.1	36%	0.357	26%	0.256	S	S	.	.	S	Bend	trans	-85.2	-29.8	161.8	63	0	0	0	0	112.1	E443 H444	S404-E443 VanDerWaalsContact OG-CA 3.27Å; S404-E443 WeakPolarHBondContact OG-CA 3.31Å; S404-H444 PolarHBondContact N-O 3.37Å; S404-H444 PolarHBondContact OG-N 3.45Å; S404-H444 PolarHBondContact OG-ND1 2.76Å; S404-H444 VanDerWaalsContact OG-ND1 3.08Å
405	A	85.1	Confident	88.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-80.2	135.8	170	0	0	0	0	0	110.2	G403 D410 Y411 E443 H444 F445 I484	G403-A405 PolarHBondContact N-O 2.63Å; A405-D410 HydrophobicContact CB-CB 4.01Å; A405-Y411 HydrophobicContact CB-CD1 4.24Å; A405-Y411 HydrophobicContact CB-CE1 4.49Å; A405-E443 VanDerWaalsContact CA-OE2 3.28Å; A405-E443 WeakPolarHBondContact CA-OE2 3.16Å; A405-E443 HydrophobicContact CB-CB 3.76Å; A405-H444 PolarHBondContact N-O 3.44Å; A405-F445 HydrophobicContact CB-CB 4.32Å; A405-F445 HydrophobicContact CB-CD1 4.46Å; A405-I484 HydrophobicContact CB-CD1 4.07Å
406	N	85.9	Confident	88.9	Confident	84 Å²	84	50.9 Å²	50.9	45%	0.449	29%	0.291	S	S	.	.			trans	-108.9	137.1	-176.8	-66.9	-14.2	0	0	0	111.8	G408 S409 D410	N406-G408 PolarHBondContact O-N 3.02Å; N406-S409 WeakPolarHBondContact CB-OG 3.36Å; N406-S409 PolarHBondContact O-N 3.14Å; N406-S409 PolarHBondContact O-OG 2.86Å; N406-D410 PolarHBondContact N-OD2 3.41Å; N406-D410 PolarHBondContact O-N 3.4Å; N406-D410 VanDerWaalsContact O-N 3.14Å
407	A	87.5	Confident	88.9	Confident	39 Å²	39	54.1 Å²	54.1	32%	0.322	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-62.7	121.8	173.9	0	0	0	0	0	111.9	D402 Y411	D402-A407 WeakPolarHBondContact OD1-CB 3.41Å; D402-A407 PolarHBondContact OD1-N 3.16Å; A407-Y411 CarbonylContact C-O 3.54Å; A407-Y411 VanDerWaalsContact CA-O 3.29Å; A407-Y411 WeakPolarHBondContact CA-O 3.32Å; A407-Y411 HydrophobicContact CB-CE1 4.13Å; A407-Y411 HydrophobicContact CB-CE2 4.16Å
408	G	81.1	Confident	88.8	Confident	62 Å²	62	53.4 Å²	53.4	64%	0.639	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-12.5	178.2	0	0	0	0	0	115.6	N406 Y411	N406-G408 PolarHBondContact O-N 3.02Å; G408-Y411 PolarHBondContact N-O 3.5Å
409	S	80.9	Confident	88.6	Confident	60 Å²	60	54 Å²	54	42%	0.42	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-50.3	161.9	41.7	0	0	0	0	110.5	N406 I434	N406-S409 WeakPolarHBondContact CB-OG 3.36Å; N406-S409 PolarHBondContact O-N 3.14Å; N406-S409 PolarHBondContact O-OG 2.86Å; S409-I434 VanDerWaalsContact O-CB 3.3Å; S409-I434 WeakPolarHBondContact O-CB 3.48Å; S409-I434 WeakPolarHBondContact O-CD1 3.23Å; S409-I434 VanDerWaalsContact O-CG2 3.28Å; S409-I434 WeakPolarHBondContact O-CG2 3.36Å
410	D	83.4	Confident	88.3	Confident	16 Å²	16	49 Å²	49	9%	0.086	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-27.7	-164.2	-36.6	-50.2	0	0	0	111.5	A405 N406 I434 E443 I484	A405-D410 HydrophobicContact CB-CB 4.01Å; N406-D410 PolarHBondContact N-OD2 3.41Å; N406-D410 PolarHBondContact O-N 3.4Å; N406-D410 VanDerWaalsContact O-N 3.14Å; D410-I434 PolarHBondContact O-N 3.06Å; D410-E443 VanDerWaalsContact CG-OE2 3.29Å; D410-I484 HydrophobicContact CB-CD1 4.06Å
411	Y	91.3	Very high	87.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-150.1	162.8	175.2	78	-80.6	0	0	0	112.9	T400 D402 A405 A407 G408 V431 G432 F445	T400-Y411 HydrophobicContact CG2-CE2 4.03Å; D402-Y411 PolarHBondContact N-OH 2.91Å; D402-Y411 PolarHBondContact OD1-OH 2.96Å; A405-Y411 HydrophobicContact CB-CD1 4.24Å; A405-Y411 HydrophobicContact CB-CE1 4.49Å; A407-Y411 CarbonylContact C-O 3.54Å; A407-Y411 VanDerWaalsContact CA-O 3.29Å; A407-Y411 WeakPolarHBondContact CA-O 3.32Å; A407-Y411 HydrophobicContact CB-CE1 4.13Å; A407-Y411 HydrophobicContact CB-CE2 4.16Å; G408-Y411 PolarHBondContact N-O 3.5Å; Y411-V431 HydrophobicContact CD2-CG1 3.88Å; Y411-G432 CarbonylContact C-O 3.56Å; Y411-G432 WeakPolarHBondContact CA-O 3.25Å; Y411-G432 WeakPolarHBondContact CB-O 3.26Å; Y411-F445 HydrophobicContact CD1-CB 4.1Å; Y411-F445 AromaticContact CD1-CD1 3.87Å; Y411-F445 HydrophobicContact CD1-CD1 3.87Å; Y411-F445 HydrophobicContact CD1-CD2 4.5Å; Y411-F445 HydrophobicContact CD1-CE1 4.4Å; Y411-F445 AromaticContact CD1-CG 3.92Å; Y411-F445 HydrophobicContact CD1-CG 3.92Å; Y411-F445 HydrophobicContact CD2-CD1 4.47Å; Y411-F445 HydrophobicContact CD2-CD2 4.08Å; Y411-F445 HydrophobicContact CD2-CE1 4.44Å; Y411-F445 HydrophobicContact CD2-CE2 4.06Å; Y411-F445 HydrophobicContact CD2-CG 4.29Å; Y411-F445 HydrophobicContact CD2-CZ 4.24Å; Y411-F445 HydrophobicContact CE1-CB 3.59Å; Y411-F445 HydrophobicContact CE1-CD1 4.23Å; Y411-F445 HydrophobicContact CE1-CD2 4.29Å; Y411-F445 AromaticContact CE1-CG 3.81Å; Y411-F445 HydrophobicContact CE1-CG 3.81Å; Y411-F445 AromaticContact CE2-CD2 3.85Å; Y411-F445 HydrophobicContact CE2-CD2 3.85Å; Y411-F445 HydrophobicContact CE2-CE2 4.18Å; Y411-F445 HydrophobicContact CE2-CG 4.19Å; Y411-F445 HydrophobicContact CG-CD1 4.01Å; Y411-F445 HydrophobicContact CG-CD2 4.4Å; Y411-F445 HydrophobicContact CG-CE1 4.08Å; Y411-F445 HydrophobicContact CG-CE2 4.48Å; Y411-F445 HydrophobicContact CG-CG 4.16Å; Y411-F445 HydrophobicContact CG-CZ 4.32Å; Y411-F445 AromaticContact CZ-CD2 3.96Å; Y411-F445 AromaticContact CZ-CG 3.95Å
412	D	90.9	Very high	87.4	Confident	91 Å²	91	56 Å²	56	49%	0.487	33%	0.332	S	S	.	.			trans	-86.6	130.2	176.5	-79.1	-36.3	0	0	0	112.2	S414 G432	D412-S414 PolarHBondContact O-N 3.13Å; D412-G432 PolarHBondContact N-O 3.31Å
413	Y	91	Very high	86.8	Confident	129 Å²	129	55 Å²	55	51%	0.506	34%	0.342	S	S	.	.			trans	-59.8	127.8	173.9	-177.5	-101.6	0	0	0	111.7	T400 E415	T400-Y413 WeakPolarHBondContact OG1-CD2 3.41Å; Y413-E415 HydrophobicContact CE1-CB 4.36Å; Y413-E415 HydrophobicContact CE1-CG 4.05Å
414	S	90.1	Very high	86.7	Confident	19 Å²	19	55.9 Å²	55.9	13%	0.133	34%	0.339	C	S	.	.			trans	-135.4	133.6	178.6	68	0	0	0	0	113.4	R399 T400 D412	R399-S414 WeakPolarHBondContact CA-O 3.48Å; T400-S414 WeakPolarHBondContact CG2-OG 3.43Å; T400-S414 PolarHBondContact N-O 3.23Å; T400-S414 PolarHBondContact OG1-N 3.48Å; T400-S414 VanDerWaalsContact OG1-N 3.07Å; T400-S414 PolarHBondContact OG1-O 3.43Å; D412-S414 PolarHBondContact O-N 3.13Å
415	E	93.3	Very high	86.7	Confident	136 Å²	136	57.8 Å²	57.8	64%	0.636	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.3	172.3	64.1	172.9	-174.5	0	0	110.6	Y398 R399 Y413	Y398-E415 WeakPolarHBondContact O-CA 3.47Å; R399-E415 HydrophobicContact CB-CB 4.23Å; Y413-E415 HydrophobicContact CE1-CB 4.36Å; Y413-E415 HydrophobicContact CE1-CG 4.05Å
416	G	90.6	Very high	86.9	Confident	27 Å²	27	63.4 Å²	63.4	28%	0.278	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177	-177.8	-178.8	0	0	0	0	0	114.5	D397 Y398	D397-G416 CarbonylContact C-O 3.6Å; D397-G416 WeakPolarHBondContact CA-O 3.1Å; Y398-G416 WeakPolarHBondContact CD1-O 3.17Å; Y398-G416 PolarHBondContact N-O 3.49Å; Y398-G416 PolarHBondContact O-N 3.37Å
417	T	91	Very high	87.1	Confident	68 Å²	68	62.3 Å²	62.3	42%	0.417	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.5	176.3	-53.8	0	0	0	0	110.1	Y395 V396 D397	Y395-T417 HydrophobicContact CD1-CG2 4.22Å; V396-T417 CarbonylContact O-C 3.49Å; V396-T417 WeakPolarHBondContact O-CA 3.36Å; D397-T417 WeakPolarHBondContact OD1-CB 3.46Å; D397-T417 VanDerWaalsContact OD1-CG2 3.27Å; D397-T417 WeakPolarHBondContact OD1-CG2 3.26Å; D397-T417 PolarHBondContact OD1-OG1 3.39Å
418	L	89.9	Confident	87.4	Confident	14 Å²	14	65.5 Å²	65.5	7%	0.073	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.8	170.3	-60.4	179.7	0	0	0	110.1	V383 Y395 V396 Y398 F420 K427 I429 L449	V383-L418 HydrophobicContact CB-CD1 3.81Å; V383-L418 HydrophobicContact CG1-CD1 4.11Å; V383-L418 HydrophobicContact CG2-CD1 3.61Å; Y395-L418 CarbonylContact C-O 3.1Å; Y395-L418 VanDerWaalsContact CA-O 3.32Å; Y395-L418 WeakPolarHBondContact CA-O 3.26Å; V396-L418 PolarHBondContact N-O 3.5Å; V396-L418 PolarHBondContact O-N 3.12Å; Y398-L418 HydrophobicContact CD1-CD2 4.24Å; Y398-L418 HydrophobicContact CD1-CG 3.99Å; Y398-L418 HydrophobicContact CE1-CD2 4.13Å; Y398-L418 HydrophobicContact CE1-CG 4.36Å; L418-F420 HydrophobicContact CB-CE2 3.99Å; L418-F420 HydrophobicContact CD1-CE2 4.36Å; L418-K427 HydrophobicContact CD1-CB 4.41Å; L418-K427 HydrophobicContact CD2-CB 4.16Å; L418-I429 HydrophobicContact CD1-CD1 4.05Å; L418-I429 HydrophobicContact CD1-CG1 4.03Å; L418-I429 HydrophobicContact CD2-CG1 3.99Å; L418-I429 HydrophobicContact CG-CG1 4.37Å; L418-L449 HydrophobicContact CD1-CD2 4.41Å
419	V	89.8	Confident	87.9	Confident	51 Å²	51	62.5 Å²	62.5	31%	0.309	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	106.1	178.9	-173.4	0	0	0	0	109.2	T393 F394 Y395 K427	T393-V419 HydrophobicContact CG2-CG1 3.76Å; F394-V419 CarbonylContact O-C 3.52Å; F394-V419 WeakPolarHBondContact O-CA 3.18Å; Y395-V419 HydrophobicContact CD1-CB 4.41Å; Y395-V419 HydrophobicContact CD1-CG1 4.17Å; Y395-V419 HydrophobicContact CD1-CG2 3.66Å; Y395-V419 HydrophobicContact CE1-CB 4.36Å; Y395-V419 HydrophobicContact CE1-CG1 3.75Å; Y395-V419 HydrophobicContact CE1-CG2 3.7Å; V419-K427 WeakPolarHBondContact O-CE 3.12Å
420	F	88.2	Confident	88.4	Confident	1 Å²	1	65.9 Å²	65.9	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.1	173.6	-67.1	-95.4	0	0	0	109	I363 V383 C385 T393 F394 L418 D424 K427	I363-F420 HydrophobicContact CG2-CE2 4.27Å; I363-F420 HydrophobicContact CG2-CZ 4.43Å; V383-F420 HydrophobicContact CB-CZ 4.12Å; V383-F420 HydrophobicContact CG1-CE2 4.3Å; V383-F420 HydrophobicContact CG1-CZ 3.81Å; C385-F420 HydrophobicContact CB-CD1 3.77Å; C385-F420 HydrophobicContact CB-CE1 3.9Å; C385-F420 HydrophobicContact CB-CG 4.45Å; T393-F420 CarbonylContact C-O 3.59Å; T393-F420 VanDerWaalsContact CA-O 3.26Å; T393-F420 WeakPolarHBondContact CA-O 3.41Å; T393-F420 VanDerWaalsContact CG2-O 3.3Å; T393-F420 WeakPolarHBondContact CG2-O 3.49Å; F394-F420 HydrophobicContact CB-CB 4.19Å; F394-F420 HydrophobicContact CD2-CB 4.28Å; F394-F420 PolarHBondContact N-O 2.97Å; F394-F420 PolarHBondContact O-N 3.33Å; L418-F420 HydrophobicContact CB-CE2 3.99Å; L418-F420 HydrophobicContact CD1-CE2 4.36Å; F420-D424 HydrophobicContact CD1-CB 4.4Å; F420-K427 HydrophobicContact CD1-CG 3.92Å; F420-K427 HydrophobicContact CD2-CG 4.47Å; F420-K427 HydrophobicContact CE1-CB 4Å; F420-K427 HydrophobicContact CE1-CG 3.65Å; F420-K427 HydrophobicContact CE2-CB 4.44Å; F420-K427 HydrophobicContact CE2-CG 4.23Å; F420-K427 HydrophobicContact CG-CG 4.32Å; F420-K427 HydrophobicContact CZ-CB 3.83Å; F420-K427 HydrophobicContact CZ-CG 3.81Å
421	K	85.4	Confident	88.9	Confident	134 Å²	134	65.1 Å²	65.1	58%	0.583	35%	0.347	S	S	*	.			trans	-81.2	164.2	174	-66	-177.7	-178.9	179.6	0	110.6	G423 D424	K421-G423 PolarHBondContact O-N 3.19Å; K421-G423 VanDerWaalsContact O-N 3.11Å; K421-D424 WeakPolarHBondContact CB-OD2 3.33Å; K421-D424 PolarHBondContact N-OD2 3.49Å; K421-D424 WeakPolarHBondContact O-CB 3.3Å; K421-D424 PolarHBondContact O-N 3.01Å
422	P	80.9	Confident	88.8	Confident	74 Å²	74	65.9 Å²	65.9	48%	0.481	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	119	171.5	-31.9	38.9	0	0	0	111.8	G390	G390-P422 VanDerWaalsContact O-CA 3.26Å; G390-P422 WeakPolarHBondContact O-CA 3.39Å; G390-P422 VanDerWaalsContact O-CB 3.24Å; G390-P422 WeakPolarHBondContact O-CB 3.41Å
423	G	76.1	Confident	88.9	Confident	65 Å²	65	62 Å²	62	67%	0.67	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-3.5	-177.6	0	0	0	0	0	116.7	K421	K421-G423 PolarHBondContact O-N 3.19Å; K421-G423 VanDerWaalsContact O-N 3.11Å
424	D	84.9	Confident	88.7	Confident	52 Å²	52	58.4 Å²	58.4	28%	0.278	32%	0.323	S	S	.	.			trans	-79	117.8	172.3	-74.7	-22.7	0	0	0	110.3	F420 K421 K427	F420-D424 HydrophobicContact CD1-CB 4.4Å; K421-D424 WeakPolarHBondContact CB-OD2 3.33Å; K421-D424 PolarHBondContact N-OD2 3.49Å; K421-D424 WeakPolarHBondContact O-CB 3.3Å; K421-D424 PolarHBondContact O-N 3.01Å; D424-K427 VanDerWaalsContact CG-NZ 3.34Å; D424-K427 IonicContact OD1-NZ 3.35Å; D424-K427 WeakPolarHBondContact OD2-CE 3.38Å; D424-K427 IonicContact OD2-NZ 3.96Å; D424-K427 PolarHBondContact OD2-NZ 3.12Å
425	T	83.5	Confident	88.4	Confident	91 Å²	91	61.9 Å²	61.9	56%	0.558	34%	0.34	S	S	*	.			trans	-98.2	-16.3	179.7	55	0	0	0	0	113.8	V384 C385	V384-T425 WeakPolarHBondContact CA-O 3.3Å; C385-T425 PolarHBondContact N-O 2.95Å
426	Q	89.2	Confident	87.6	Confident	118 Å²	118	58.2 Å²	58.2	55%	0.551	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.5	145	-177.6	68.3	-174.3	52.5	0	0	112.6	V383	V383-Q426 CarbonylContact O-C 3.56Å; V383-Q426 WeakPolarHBondContact O-CA 3.5Å
427	K	91.4	Very high	86.7	Confident	62 Å²	62	64.2 Å²	64.2	27%	0.27	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.1	168.5	-68.6	-62.5	-179.3	-160.3	0	110.7	A382 V383 L418 V419 F420 D424	A382-K427 WeakPolarHBondContact CA-O 3.43Å; V383-K427 PolarHBondContact N-O 2.75Å; V383-K427 PolarHBondContact O-N 3.5Å; L418-K427 HydrophobicContact CD1-CB 4.41Å; L418-K427 HydrophobicContact CD2-CB 4.16Å; V419-K427 WeakPolarHBondContact O-CE 3.12Å; F420-K427 HydrophobicContact CD1-CG 3.92Å; F420-K427 HydrophobicContact CD2-CG 4.47Å; F420-K427 HydrophobicContact CE1-CB 4Å; F420-K427 HydrophobicContact CE1-CG 3.65Å; F420-K427 HydrophobicContact CE2-CB 4.44Å; F420-K427 HydrophobicContact CE2-CG 4.23Å; F420-K427 HydrophobicContact CG-CG 4.32Å; F420-K427 HydrophobicContact CZ-CB 3.83Å; F420-K427 HydrophobicContact CZ-CG 3.81Å; D424-K427 VanDerWaalsContact CG-NZ 3.34Å; D424-K427 IonicContact OD1-NZ 3.35Å; D424-K427 WeakPolarHBondContact OD2-CE 3.38Å; D424-K427 IonicContact OD2-NZ 3.96Å; D424-K427 PolarHBondContact OD2-NZ 3.12Å
428	E	92.3	Very high	85.7	Confident	105 Å²	105	65.9 Å²	65.9	49%	0.491	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.7	-176.5	-70.7	171.3	-165	0	0	111	T380 L381	T380-E428 HydrophobicContact CG2-CB 3.7Å; T380-E428 HydrophobicContact CG2-CG 3.76Å; L381-E428 CarbonylContact O-C 3.6Å; L381-E428 WeakPolarHBondContact O-CA 3.21Å
429	I	92.6	Very high	84.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.9	168.3	-64.1	166.2	0	0	0	107.7	F365 T380 L381 V383 Y398 L418 V431 V447 L449	F365-I429 HydrophobicContact CE1-CD1 4.01Å; F365-I429 HydrophobicContact CZ-CD1 4.36Å; T380-I429 CarbonylContact C-O 3.57Å; T380-I429 VanDerWaalsContact CA-O 3.31Å; T380-I429 WeakPolarHBondContact CA-O 3.16Å; L381-I429 HydrophobicContact CB-CB 4.35Å; L381-I429 PolarHBondContact N-O 3.01Å; L381-I429 PolarHBondContact O-N 2.73Å; V383-I429 HydrophobicContact CG2-CD1 3.86Å; V383-I429 HydrophobicContact CG2-CG1 4.46Å; Y398-I429 HydrophobicContact CD1-CD1 3.95Å; Y398-I429 HydrophobicContact CD1-CG1 3.94Å; Y398-I429 HydrophobicContact CD2-CD1 3.85Å; Y398-I429 HydrophobicContact CD2-CG1 4.14Å; Y398-I429 HydrophobicContact CD2-CG2 3.73Å; Y398-I429 HydrophobicContact CE1-CD1 4.48Å; Y398-I429 HydrophobicContact CE1-CG1 4Å; Y398-I429 HydrophobicContact CE1-CG2 4.47Å; Y398-I429 HydrophobicContact CE2-CB 4.39Å; Y398-I429 HydrophobicContact CE2-CD1 4.44Å; Y398-I429 HydrophobicContact CE2-CG1 4.23Å; Y398-I429 HydrophobicContact CE2-CG2 3.35Å; Y398-I429 HydrophobicContact CG-CD1 3.58Å; Y398-I429 HydrophobicContact CG-CG1 4Å; Y398-I429 HydrophobicContact CG-CG2 4.45Å; L418-I429 HydrophobicContact CD1-CD1 4.05Å; L418-I429 HydrophobicContact CD1-CG1 4.03Å; L418-I429 HydrophobicContact CD2-CG1 3.99Å; L418-I429 HydrophobicContact CG-CG1 4.37Å; I429-V431 HydrophobicContact CG2-CG2 4.14Å; I429-V447 HydrophobicContact CD1-CG1 4.33Å; I429-L449 HydrophobicContact CD1-CD2 4.36Å
430	K	91.9	Very high	83.8	Confident	130 Å²	130	71.3 Å²	71.3	57%	0.565	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.1	178	-63.3	-175.3	-179.7	-171.9	0	110.5	V378 L379 T380	V378-K430 HydrophobicContact CG1-CB 4.01Å; V378-K430 HydrophobicContact CG1-CG 4.46Å; L379-K430 WeakPolarHBondContact O-CA 3.39Å; T380-K430 HydrophobicContact CG2-CG 4.48Å
431	V	92.5	Very high	83	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.006	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.1	179.1	-171.2	0	0	0	0	108.1	V378 L379 T400 Y411 I429 F445	V378-V431 CarbonylContact C-O 3.57Å; V378-V431 WeakPolarHBondContact CA-O 3.27Å; L379-V431 PolarHBondContact N-O 2.89Å; L379-V431 PolarHBondContact O-N 3.15Å; T400-V431 HydrophobicContact CG2-CG1 4.25Å; T400-V431 HydrophobicContact CG2-CG2 4.21Å; Y411-V431 HydrophobicContact CD2-CG1 3.88Å; I429-V431 HydrophobicContact CG2-CG2 4.14Å; V431-F445 HydrophobicContact CG1-CE2 4.1Å; V431-F445 HydrophobicContact CG1-CZ 4Å
432	G	89.6	Confident	82.8	Confident	15 Å²	15	75.8 Å²	75.8	16%	0.155	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136	175.4	0	0	0	0	0	110.7	G377 Y411 D412	G377-G432 WeakPolarHBondContact O-CA 3.49Å; Y411-G432 CarbonylContact C-O 3.56Å; Y411-G432 WeakPolarHBondContact CA-O 3.25Å; Y411-G432 WeakPolarHBondContact CB-O 3.26Å; D412-G432 PolarHBondContact N-O 3.31Å
433	I	92.1	Very high	82.9	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.056	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-108.9	134.2	172.8	-53.9	-58.1	0	0	0	107.5	E374 C376 G377 L379 F445 I484	E374-I433 WeakPolarHBondContact O-CG2 3.04Å; C376-I433 VanDerWaalsContact SG-CG1 3.6Å; G377-I433 PolarHBondContact O-N 3.24Å; L379-I433 HydrophobicContact CB-CD1 4.17Å; L379-I433 HydrophobicContact CB-CG1 4.03Å; I433-F445 HydrophobicContact CD1-CE1 3.97Å; I433-F445 HydrophobicContact CD1-CZ 4.16Å; I433-I484 HydrophobicContact CD1-CD1 4.32Å; I433-I484 HydrophobicContact CD1-CG1 4.46Å; I433-I484 HydrophobicContact CG2-CD1 4.41Å; I433-I484 HydrophobicContact CG2-CG2 4.25Å
434	I	88.3	Confident	83.5	Confident	53 Å²	53	74.4 Å²	74.4	27%	0.272	37%	0.37	S	S	.	.			trans	-93.8	136.9	-178.3	-58.8	171.3	0	0	0	107.4	E374 S409 D410	E374-I434 VanDerWaalsContact CG-O 3.22Å; E374-I434 WeakPolarHBondContact CG-O 3.5Å; S409-I434 VanDerWaalsContact O-CB 3.3Å; S409-I434 WeakPolarHBondContact O-CB 3.48Å; S409-I434 WeakPolarHBondContact O-CD1 3.23Å; S409-I434 VanDerWaalsContact O-CG2 3.28Å; S409-I434 WeakPolarHBondContact O-CG2 3.36Å; D410-I434 PolarHBondContact O-N 3.06Å
435	D	83.6	Confident	83.9	Confident	92 Å²	92	71.9 Å²	71.9	49%	0.492	36%	0.357	S	S	.	.			trans	-118.5	123.4	-172.8	-175.7	47.4	0	0	0	109.8	N375	N375-D435 VanDerWaalsContact CA-OD1 3.28Å; N375-D435 WeakPolarHBondContact CA-OD1 3.43Å; N375-D435 PolarHBondContact N-OD1 3.37Å
436	D	77	Confident	84.4	Confident	59 Å²	59	70.3 Å²	70.3	32%	0.316	34%	0.343	S	S	.	.			trans	-128	-175.9	171.7	88	35.5	0	0	0	113.9	E374 I438	E374-D436 PolarHBondContact OE1-N 3.49Å; D436-I438 WeakPolarHBondContact OD1-CA 3.3Å; D436-I438 VanDerWaalsContact OD1-CB 3.27Å; D436-I438 WeakPolarHBondContact OD1-CB 3.37Å; D436-I438 PolarHBondContact OD1-N 3.11Å
437	D	69.9	Low	84.6	Confident	152 Å²	152	64.7 Å²	64.7	81%	0.813	32%	0.316	S	S	*	.	S	Bend	trans	-113.3	22.5	-173.8	-69.8	-56	0	0	0	111	D488	D437-D488 VanDerWaalsContact C-OD2 3.23Å
438	I	71.3	Confident	84.6	Confident	104 Å²	104	66.2 Å²	66.2	53%	0.533	32%	0.32	S	S	.	.	S	Bend	trans	-109.2	124.4	-176.7	-56.4	176.3	0	0	0	108.5	D436 E440	D436-I438 WeakPolarHBondContact OD1-CA 3.3Å; D436-I438 VanDerWaalsContact OD1-CB 3.27Å; D436-I438 WeakPolarHBondContact OD1-CB 3.37Å; D436-I438 PolarHBondContact OD1-N 3.11Å; I438-E440 HydrophobicContact CG2-CG 4.44Å; I438-E440 PolarHBondContact O-N 3.39Å
439	F	67.4	Low	84.5	Confident	116 Å²	116	61.3 Å²	61.3	51%	0.509	30%	0.298	S	S	.	.			trans	-61.5	122.8	172.4	174.6	-94.9	0	0	0	111.4	D486 H489	F439-D486 VanDerWaalsContact CA-OD2 3.31Å; F439-D486 WeakPolarHBondContact CA-OD2 3.49Å; F439-D486 WeakPolarHBondContact CD2-OD2 3.24Å; F439-D486 WeakPolarHBondContact CE2-OD2 3.14Å; F439-H489 HydrophobicContact CD2-CB 4Å; F439-H489 HydrophobicContact CE2-CB 3.69Å
440	E	72.1	Confident	84.3	Confident	62 Å²	62	63.7 Å²	63.7	29%	0.29	31%	0.31	S	S	.	.			trans	-127.2	163.5	-179.9	-67.8	-173.1	140.4	0	0	111	I438 D486	I438-E440 HydrophobicContact CG2-CG 4.44Å; I438-E440 PolarHBondContact O-N 3.39Å; E440-D486 PolarHBondContact N-OD2 3.37Å; E440-D486 WeakPolarHBondContact O-CB 3.37Å
441	E	72.3	Confident	83.7	Confident	165 Å²	165	62.8 Å²	62.8	77%	0.771	31%	0.311	S	S	*	.			trans	-81.2	154.6	173.5	-67.2	-174.7	175.7	0	0	109.7	E443	E441-E443 WeakPolarHBondContact O-CG 3.24Å; E441-E443 PolarHBondContact O-N 3.49Å
442	D	79.1	Confident	83.3	Confident	64 Å²	64	64.8 Å²	64.8	34%	0.342	32%	0.322	S	S	.	.			trans	-56.1	117.4	178.7	-62.5	-21.9	0	0	0	111	T483 L485	D442-T483 HydrophobicContact CB-CG2 4.19Å; D442-L485 HydrophobicContact CB-CD2 4.24Å
443	E	84.2	Confident	83	Confident	45 Å²	45	67.7 Å²	67.7	21%	0.21	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	159.5	-176.9	-52.7	-156.9	141	0	0	112	S404 A405 D410 E441 T483 I484	S404-E443 VanDerWaalsContact OG-CA 3.27Å; S404-E443 WeakPolarHBondContact OG-CA 3.31Å; A405-E443 VanDerWaalsContact CA-OE2 3.28Å; A405-E443 WeakPolarHBondContact CA-OE2 3.16Å; A405-E443 HydrophobicContact CB-CB 3.76Å; D410-E443 VanDerWaalsContact CG-OE2 3.29Å; E441-E443 WeakPolarHBondContact O-CG 3.24Å; E441-E443 PolarHBondContact O-N 3.49Å; E443-T483 CarbonylContact O-C 3.56Å; E443-T483 VanDerWaalsContact O-CA 3.3Å; E443-T483 WeakPolarHBondContact O-CA 3.36Å; E443-T483 WeakPolarHBondContact O-CG2 3.38Å; E443-I484 PolarHBondContact N-O 3.26Å; E443-I484 VanDerWaalsContact N-O 3.16Å; E443-I484 PolarHBondContact O-N 2.91Å
444	H	89.1	Confident	82.4	Confident	65 Å²	65	68.9 Å²	68.9	30%	0.301	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.2	179.5	66.9	-75	0	0	0	113.3	G403 S404 A405 F446 T481 V482	G403-H444 CarbonylContact C-O 3.57Å; G403-H444 WeakPolarHBondContact CA-O 3.17Å; G403-H444 PolarHBondContact N-O 3.1Å; S404-H444 PolarHBondContact N-O 3.37Å; S404-H444 PolarHBondContact OG-N 3.45Å; S404-H444 PolarHBondContact OG-ND1 2.76Å; S404-H444 VanDerWaalsContact OG-ND1 3.08Å; A405-H444 PolarHBondContact N-O 3.44Å; H444-F446 AromaticContact CD2-CE2 3.84Å; H444-F446 AromaticContact CD2-CZ 3.47Å; H444-F446 VanDerWaalsContact CD2-CZ 3.47Å; H444-F446 WeakPolarHBondContact CD2-CZ 3.32Å; H444-F446 AromaticContact NE2-CZ 3.67Å; H444-T481 HydrophobicContact CB-CG2 4.33Å; H444-V482 CarbonylContact C-O 3.58Å; H444-V482 WeakPolarHBondContact CA-O 3.14Å; H444-V482 VanDerWaalsContact CB-O 3.25Å; H444-V482 WeakPolarHBondContact CB-O 3.38Å
445	F	93.6	Very high	81.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	169.4	169.8	70.7	-85.7	0	0	0	110.4	L379 T400 A405 Y411 V431 I433 V447 V482 I484	L379-F445 HydrophobicContact CD2-CZ 4.01Å; T400-F445 HydrophobicContact CG2-CD2 4.43Å; T400-F445 HydrophobicContact CG2-CE2 4.17Å; A405-F445 HydrophobicContact CB-CB 4.32Å; A405-F445 HydrophobicContact CB-CD1 4.46Å; Y411-F445 HydrophobicContact CD1-CB 4.1Å; Y411-F445 AromaticContact CD1-CD1 3.87Å; Y411-F445 HydrophobicContact CD1-CD1 3.87Å; Y411-F445 HydrophobicContact CD1-CD2 4.5Å; Y411-F445 HydrophobicContact CD1-CE1 4.4Å; Y411-F445 AromaticContact CD1-CG 3.92Å; Y411-F445 HydrophobicContact CD1-CG 3.92Å; Y411-F445 HydrophobicContact CD2-CD1 4.47Å; Y411-F445 HydrophobicContact CD2-CD2 4.08Å; Y411-F445 HydrophobicContact CD2-CE1 4.44Å; Y411-F445 HydrophobicContact CD2-CE2 4.06Å; Y411-F445 HydrophobicContact CD2-CG 4.29Å; Y411-F445 HydrophobicContact CD2-CZ 4.24Å; Y411-F445 HydrophobicContact CE1-CB 3.59Å; Y411-F445 HydrophobicContact CE1-CD1 4.23Å; Y411-F445 HydrophobicContact CE1-CD2 4.29Å; Y411-F445 AromaticContact CE1-CG 3.81Å; Y411-F445 HydrophobicContact CE1-CG 3.81Å; Y411-F445 AromaticContact CE2-CD2 3.85Å; Y411-F445 HydrophobicContact CE2-CD2 3.85Å; Y411-F445 HydrophobicContact CE2-CE2 4.18Å; Y411-F445 HydrophobicContact CE2-CG 4.19Å; Y411-F445 HydrophobicContact CG-CD1 4.01Å; Y411-F445 HydrophobicContact CG-CD2 4.4Å; Y411-F445 HydrophobicContact CG-CE1 4.08Å; Y411-F445 HydrophobicContact CG-CE2 4.48Å; Y411-F445 HydrophobicContact CG-CG 4.16Å; Y411-F445 HydrophobicContact CG-CZ 4.32Å; Y411-F445 AromaticContact CZ-CD2 3.96Å; Y411-F445 AromaticContact CZ-CG 3.95Å; V431-F445 HydrophobicContact CG1-CE2 4.1Å; V431-F445 HydrophobicContact CG1-CZ 4Å; I433-F445 HydrophobicContact CD1-CE1 3.97Å; I433-F445 HydrophobicContact CD1-CZ 4.16Å; F445-V447 HydrophobicContact CD2-CG2 4.24Å; F445-V447 HydrophobicContact CE2-CG2 3.77Å; F445-V482 HydrophobicContact CD1-CB 3.97Å; F445-V482 HydrophobicContact CD1-CG1 4.15Å; F445-V482 HydrophobicContact CD2-CB 4.41Å; F445-V482 HydrophobicContact CE1-CB 3.59Å; F445-V482 HydrophobicContact CE1-CG1 3.39Å; F445-V482 HydrophobicContact CE1-CG2 4.32Å; F445-V482 HydrophobicContact CE2-CB 4.05Å; F445-V482 HydrophobicContact CE2-CG2 3.98Å; F445-V482 HydrophobicContact CG-CB 4.37Å; F445-V482 HydrophobicContact CZ-CB 3.63Å; F445-V482 HydrophobicContact CZ-CG1 3.62Å; F445-V482 HydrophobicContact CZ-CG2 3.84Å; F445-V482 PolarHBondContact N-O 3.4Å; F445-V482 PolarHBondContact O-N 3.2Å; F445-I484 HydrophobicContact CD1-CD1 4.05Å; F445-I484 HydrophobicContact CD1-CG1 4.27Å; F445-I484 HydrophobicContact CE1-CD1 4.02Å; F445-I484 HydrophobicContact CE1-CG1 4.09Å
446	F	92.6	Very high	80.8	Confident	58 Å²	58	66.2 Å²	66.2	25%	0.254	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.2	-175.2	-56.3	-79.2	0	0	0	111.8	T400 E401 H444 V479 A480 T481	T400-F446 CarbonylContact C-O 3.21Å; T400-F446 VanDerWaalsContact CA-O 3.31Å; T400-F446 WeakPolarHBondContact CA-O 3.29Å; E401-F446 HydrophobicContact CB-CB 4.32Å; E401-F446 PolarHBondContact N-O 3.42Å; E401-F446 PolarHBondContact O-N 2.85Å; H444-F446 AromaticContact CD2-CE2 3.84Å; H444-F446 AromaticContact CD2-CZ 3.47Å; H444-F446 VanDerWaalsContact CD2-CZ 3.47Å; H444-F446 WeakPolarHBondContact CD2-CZ 3.32Å; H444-F446 AromaticContact NE2-CZ 3.67Å; F446-V479 HydrophobicContact CB-CG1 4Å; F446-V479 HydrophobicContact CD1-CG1 3.96Å; F446-V479 HydrophobicContact CG-CG1 4.36Å; F446-A480 WeakPolarHBondContact CA-O 3.35Å; F446-T481 HydrophobicContact CD1-CG2 4.14Å; F446-T481 HydrophobicContact CE1-CG2 3.79Å; F446-T481 WeakPolarHBondContact CE1-OG1 3.37Å
447	V	93.3	Very high	79.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.9	169.6	-168.5	0	0	0	0	109.1	F365 L381 Y398 T400 I429 F445 V479 A480 V482	F365-V447 HydrophobicContact CE1-CG1 4.49Å; F365-V447 VanDerWaalsContact CE2-O 3.25Å; F365-V447 WeakPolarHBondContact CE2-O 3.46Å; F365-V447 HydrophobicContact CZ-CB 4.11Å; F365-V447 HydrophobicContact CZ-CG1 3.93Å; F365-V447 WeakPolarHBondContact CZ-O 3.03Å; L381-V447 HydrophobicContact CD1-CB 3.86Å; L381-V447 HydrophobicContact CD1-CG1 4.21Å; L381-V447 HydrophobicContact CD1-CG2 3.45Å; L381-V447 VanDerWaalsContact CD1-CG2 3.45Å; Y398-V447 HydrophobicContact CD2-CG1 4.37Å; T400-V447 HydrophobicContact CG2-CG2 4.1Å; I429-V447 HydrophobicContact CD1-CG1 4.33Å; F445-V447 HydrophobicContact CD2-CG2 4.24Å; F445-V447 HydrophobicContact CE2-CG2 3.77Å; V447-V479 CarbonylContact O-C 3.58Å; V447-V479 WeakPolarHBondContact O-CA 3.36Å; V447-A480 PolarHBondContact N-O 3.32Å; V447-A480 PolarHBondContact O-N 3.18Å; V447-V482 HydrophobicContact CG2-CG2 4.23Å
448	R	91.8	Very high	79.5	Confident	93 Å²	93	68.5 Å²	68.5	35%	0.351	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.5	-171.2	-175.4	176.2	-111.8	-79.4	3.7	111.8	Y398 R399 L450 V479	Y398-R448 VanDerWaalsContact CA-O 3.28Å; Y398-R448 WeakPolarHBondContact CA-O 3.34Å; R399-R448 PolarHBondContact N-O 3.29Å; R399-R448 PolarHBondContact O-N 2.93Å; R448-L450 HydrophobicContact CG-CD2 4.05Å; R448-L450 HydrophobicContact CG-CG 4.1Å; R448-V479 HydrophobicContact CB-CG2 4.3Å; R448-V479 HydrophobicContact CG-CG2 3.96Å
449	L	90.8	Very high	78.9	Confident	3 Å²	3	65 Å²	65	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	133.9	169.9	-61.7	173	0	0	0	110.4	F365 V383 V396 D397 L418 I429 L474 L478	F365-L449 HydrophobicContact CD2-CD1 3.82Å; F365-L449 HydrophobicContact CD2-CG 4.05Å; F365-L449 HydrophobicContact CE1-CD2 4.47Å; F365-L449 HydrophobicContact CE1-CG 4.47Å; F365-L449 HydrophobicContact CE2-CD1 3.82Å; F365-L449 HydrophobicContact CE2-CD2 4.27Å; F365-L449 HydrophobicContact CE2-CG 3.51Å; F365-L449 HydrophobicContact CG-CD1 4.24Å; F365-L449 HydrophobicContact CZ-CD1 4.22Å; F365-L449 HydrophobicContact CZ-CD2 3.98Å; F365-L449 HydrophobicContact CZ-CG 3.73Å; V383-L449 HydrophobicContact CG1-CD1 3.85Å; V383-L449 HydrophobicContact CG1-CD2 4.4Å; V383-L449 HydrophobicContact CG2-CD1 4.31Å; V383-L449 HydrophobicContact CG2-CD2 4.02Å; V396-L449 HydrophobicContact CG1-CB 4.09Å; V396-L449 HydrophobicContact CG1-CD2 3.92Å; V396-L449 HydrophobicContact CG1-CG 4.45Å; D397-L449 CarbonylContact O-C 3.58Å; D397-L449 WeakPolarHBondContact O-CA 3.49Å; L418-L449 HydrophobicContact CD1-CD2 4.41Å; I429-L449 HydrophobicContact CD1-CD2 4.36Å; L449-L474 HydrophobicContact CB-CD2 4.43Å; L449-L478 PolarHBondContact N-O 3.3Å
450	L	86.9	Confident	78.6	Confident	50 Å²	50	66.2 Å²	66.2	26%	0.262	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.5	-172.7	-66.3	170.3	0	0	0	110	D397 R399 R448	D397-L450 HydrophobicContact CB-CB 4.38Å; D397-L450 PolarHBondContact N-O 3.03Å; D397-L450 PolarHBondContact O-N 2.8Å; D397-L450 VanDerWaalsContact O-O 3.1Å; R399-L450 HydrophobicContact CG-CD1 3.95Å; R448-L450 HydrophobicContact CG-CD2 4.05Å; R448-L450 HydrophobicContact CG-CG 4.1Å
451	N	80.3	Confident	78.4	Confident	110 Å²	110	68.9 Å²	68.9	59%	0.588	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46	72.5	166.8	-87.1	-10.5	0	0	0	115.2	D397 R453	D397-N451 HydrophobicContact CB-CB 4.27Å; D397-N451 VanDerWaalsContact OD2-CB 3.27Å; D397-N451 WeakPolarHBondContact OD2-CB 3.28Å; D397-N451 PolarHBondContact OD2-ND2 2.86Å; N451-R453 PolarHBondContact O-N 3.01Å
452	L	84.3	Confident	77.9	Confident	44 Å²	44	65.8 Å²	65.8	23%	0.23	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.3	166.4	175.2	64.3	0	0	0	110.1	I363 F394 Y395 V396 A472 L474	I363-L452 HydrophobicContact CD1-CD1 3.74Å; F394-L452 HydrophobicContact CB-CD1 4.08Å; Y395-L452 CarbonylContact O-C 3.41Å; Y395-L452 WeakPolarHBondContact O-CA 3.45Å; V396-L452 HydrophobicContact CG2-CD1 3.56Å; L452-A472 HydrophobicContact CD2-CB 3.96Å; L452-L474 HydrophobicContact CB-CD1 3.98Å; L452-L474 HydrophobicContact CB-CG 3.88Å; L452-L474 HydrophobicContact CD2-CG 4.28Å
453	R	83.5	Confident	76.7	Confident	75 Å²	75	67.8 Å²	67.8	28%	0.283	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.1	174.5	-58.9	-179.5	-69	-86	-4.4	110.5	Y395 D397 N451 F461	Y395-R453 PolarHBondContact N-O 2.91Å; Y395-R453 PolarHBondContact O-N 3.14Å; D397-R453 IonicContact OD1-CZ 3.66Å; D397-R453 IonicContact OD1-NH1 3.16Å; D397-R453 IonicContact OD1-NH2 3.14Å; D397-R453 PolarHBondContact OD1-NH2 3.15Å; D397-R453 IonicContact OD2-CZ 2.63Å; D397-R453 IonicContact OD2-NH1 3.58Å; D397-R453 PolarHBondContact OD2-NH1 3.42Å; D397-R453 IonicContact OD2-NH2 3.8Å; D397-R453 PolarHBondContact OD2-NH2 3.27Å; N451-R453 PolarHBondContact O-N 3.01Å; R453-F461 HydrophobicContact CB-CD1 3.96Å; R453-F461 HydrophobicContact CB-CE1 3.92Å
454	I	78.6	Confident	75.3	Confident	36 Å²	36	73.4 Å²	73.4	19%	0.185	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.2	179.5	-49.6	-178	0	0	0	108.6	N392 F394 E462 K471 A472	N392-I454 HydrophobicContact CB-CG2 4.28Å; F394-I454 HydrophobicContact CD1-CG1 4.13Å; F394-I454 HydrophobicContact CD1-CG2 4.47Å; F394-I454 HydrophobicContact CE1-CD1 4.4Å; F394-I454 HydrophobicContact CE1-CG1 4.35Å; F394-I454 HydrophobicContact CE1-CG2 4.4Å; I454-E462 PolarHBondContact O-N 3.2Å; I454-K471 HydrophobicContact CD1-CB 4Å; I454-A472 HydrophobicContact CD1-CB 4.32Å
455	G	72.8	Confident	73.5	Confident	3 Å²	3	77.8 Å²	77.8	3%	0.031	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	-178.4	177.2	0	0	0	0	0	114	T393 M460	T393-G455 WeakPolarHBondContact CB-O 3.18Å; T393-G455 PolarHBondContact N-O 2.81Å; T393-G455 PolarHBondContact O-N 3.44Å; G455-M460 WeakPolarHBondContact CA-O 2.99Å
456	D	65.4	Low	71.2	Confident	86 Å²	86	83.3 Å²	83.3	46%	0.46	45%	0.452	S	S	.	.			trans	-88.2	166.3	176.5	-69	-31.3	0	0	0	112.3	Y395 E458 G459 M460	Y395-D456 PolarHBondContact OH-O 3.26Å; D456-E458 PolarHBondContact O-N 3.14Å; D456-G459 PolarHBondContact O-N 3.43Å; D456-M460 PolarHBondContact N-O 3.01Å; D456-M460 VanDerWaalsContact N-O 3.1Å
457	A	58.9	Low	69.2	Low	87 Å²	87	84.4 Å²	84.4	72%	0.719	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.9	-178.5	0	0	0	0	0	114.7
458	E	61.9	Low	67.5	Low	172 Å²	172	88.3 Å²	88.3	80%	0.804	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	5.1	173.9	-64.2	103.2	-173.1	0	0	114.9	D456	D456-E458 PolarHBondContact O-N 3.14Å
459	G	58.3	Low	65.8	Low	32 Å²	32	89.2 Å²	89.2	33%	0.33	52%	0.517	S	S	.	.			trans	80.4	22.5	175	0	0	0	0	0	115.2	D456	D456-G459 PolarHBondContact O-N 3.43Å
460	M	60.3	Low	64.6	Low	141 Å²	141	93 Å²	93	70%	0.695	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-85.3	120.5	167.5	-75.9	-114.4	-70.5	0	0	109.5	G455 D456	G455-M460 WeakPolarHBondContact CA-O 2.99Å; D456-M460 PolarHBondContact N-O 3.01Å; D456-M460 VanDerWaalsContact N-O 3.1Å
461	F	68.3	Low	63.9	Low	117 Å²	117	94.6 Å²	94.6	51%	0.513	55%	0.546	S	S	.	.	B	Isolated β-bridge	trans	-88.2	131.1	-179.5	-57.8	-72.3	0	0	0	110.7	Y395 R453	Y395-F461 HydrophobicContact CD2-CE1 4.07Å; Y395-F461 HydrophobicContact CE2-CE1 4.38Å; Y395-F461 HydrophobicContact CG-CE1 4.41Å; R453-F461 HydrophobicContact CB-CD1 3.96Å; R453-F461 HydrophobicContact CB-CE1 3.92Å
462	E	62.8	Low	63.7	Low	101 Å²	101	89.9 Å²	89.9	47%	0.472	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-69.2	136	171.8	-69.2	-170.7	148.6	0	0	109.4	I454 K471	I454-E462 PolarHBondContact O-N 3.2Å; E462-K471 IonicContact OE1-NZ 3.72Å; E462-K471 PolarHBondContact OE1-NZ 2.68Å; E462-K471 IonicContact OE2-NZ 3.46Å; E462-K471 PolarHBondContact OE2-NZ 3.16Å
463	S	53.7	Low	63.7	Low	106 Å²	106	93.4 Å²	93.4	74%	0.741	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-82.2	127	171.9	55.5	0	0	0	0	109.9	E465	S463-E465 PolarHBondContact O-N 3.08Å
464	D	53.7	Low	63.8	Low	163 Å²	163	92.1 Å²	92.1	87%	0.872	53%	0.531	S	S	*	.			trans	-51.1	108.5	178.6	-74.2	-26.1	0	0	0	112	A466	D464-A466 PolarHBondContact O-N 3.21Å
465	E	52.6	Low	64.1	Low	157 Å²	157	92.4 Å²	92.4	73%	0.734	54%	0.535	S	S	*	.			trans	-73.1	116.6	166.5	-75.5	-167.6	160.6	0	0	108.8	S463 G467 S468	S463-E465 PolarHBondContact O-N 3.08Å; E465-G467 PolarHBondContact O-N 3.31Å; E465-S468 PolarHBondContact O-N 3.34Å; E465-S468 PolarHBondContact O-OG 3.48Å
466	A	44.3	Very low	64.3	Low	115 Å²	115	100.4 Å²	100.4	95%	0.95	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	96.1	179.7	0	0	0	0	0	111.1	D464	D464-A466 PolarHBondContact O-N 3.21Å
467	G	50.9	Low	65.3	Low	82 Å²	82	98 Å²	98	85%	0.845	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	139.3	-7	174.6	0	0	0	0	0	116.3	E465	E465-G467 PolarHBondContact O-N 3.31Å
468	S	56.4	Low	66.6	Low	81 Å²	81	96 Å²	96	57%	0.566	54%	0.538	S	S	*	.	S	Bend	trans	-86.9	146.4	173.4	61.4	0	0	0	0	112.2	E465	E465-S468 PolarHBondContact O-N 3.34Å; E465-S468 PolarHBondContact O-OG 3.48Å
469	M	58	Low	67.9	Low	112 Å²	112	89.8 Å²	89.8	55%	0.552	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-60	135.8	173.9	-155.4	174.5	136.5	0	0	110	V359 K471	V359-M469 HydrophobicContact CB-CE 4.09Å; V359-M469 HydrophobicContact CG1-CE 3.95Å; V359-M469 HydrophobicContact CG1-SD 4.34Å; M469-K471 PolarHBondContact O-N 2.86Å
470	P	63.6	Low	69.5	Low	83 Å²	83	88.3 Å²	88.3	54%	0.539	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-63.8	125.2	-176.4	24.3	-32.7	0	0	0	110.5	C360 A472	C360-P470 PolarHBondContact SG-O 2.93Å; P470-A472 VanDerWaalsContact C-N 3.28Å; P470-A472 PolarHBondContact O-N 3.3Å
471	K	72.2	Confident	71	Confident	84 Å²	84	83 Å²	83	37%	0.365	47%	0.471	S	S	.	.	S	Bend	trans	-69.5	-24.7	179.9	-66.1	174.8	178.8	177.6	0	112.7	S361 I454 E462 M469	S361-K471 PolarHBondContact N-O 3.25Å; S361-K471 VanDerWaalsContact N-O 3.16Å; I454-K471 HydrophobicContact CD1-CB 4Å; E462-K471 IonicContact OE1-NZ 3.72Å; E462-K471 PolarHBondContact OE1-NZ 2.68Å; E462-K471 IonicContact OE2-NZ 3.46Å; E462-K471 PolarHBondContact OE2-NZ 3.16Å; M469-K471 PolarHBondContact O-N 2.86Å
472	A	77.1	Confident	72.1	Confident	11 Å²	11	77.4 Å²	77.4	9%	0.091	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.3	173.2	0	0	0	0	0	112.2	S361 F394 L452 I454 P470	S361-A472 CarbonylContact O-C 3.5Å; S361-A472 WeakPolarHBondContact O-CA 3.43Å; S361-A472 WeakPolarHBondContact O-CB 3.36Å; F394-A472 HydrophobicContact CD1-CB 3.76Å; F394-A472 HydrophobicContact CE1-CB 3.34Å; F394-A472 HydrophobicContact CZ-CB 3.82Å; L452-A472 HydrophobicContact CD2-CB 3.96Å; I454-A472 HydrophobicContact CD1-CB 4.32Å; P470-A472 VanDerWaalsContact C-N 3.28Å; P470-A472 PolarHBondContact O-N 3.3Å
473	R	84.6	Confident	73.3	Confident	117 Å²	117	74.1 Å²	74.1	44%	0.442	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.9	173	62.2	169.5	174.4	-174.9	-7.6	112.5	S361 H362 I363 V475	S361-R473 PolarHBondContact O-N 2.9Å; H362-R473 PolarHBondContact CD2-NE 3.1Å; H362-R473 PolarHBondContact CE1-NH2 2.98Å; H362-R473 VanDerWaalsContact NE2-CZ 3.34Å; H362-R473 PolarHBondContact NE2-NE 3.16Å; H362-R473 PolarHBondContact NE2-NH2 3.2Å; I363-R473 PolarHBondContact N-O 3.31Å; R473-V475 HydrophobicContact CG-CG2 3.77Å
474	L	84.7	Confident	74.8	Confident	48 Å²	48	69.6 Å²	69.6	25%	0.251	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.3	166.8	-79.4	177.1	0	0	0	108.9	I363 V396 L449 L452 L478	I363-L474 HydrophobicContact CB-CD2 4.27Å; I363-L474 HydrophobicContact CG2-CD2 4.31Å; I363-L474 WeakPolarHBondContact O-CA 3.31Å; V396-L474 HydrophobicContact CG1-CD2 4.14Å; L449-L474 HydrophobicContact CB-CD2 4.43Å; L452-L474 HydrophobicContact CB-CD1 3.98Å; L452-L474 HydrophobicContact CB-CG 3.88Å; L452-L474 HydrophobicContact CD2-CG 4.28Å; L474-L478 HydrophobicContact CB-CD1 4.37Å; L474-L478 HydrophobicContact CB-CD2 3.58Å; L474-L478 HydrophobicContact CD2-CD2 4.05Å; L474-L478 HydrophobicContact CG-CD2 4.24Å
475	V	85.7	Confident	76.1	Confident	43 Å²	43	63 Å²	63	26%	0.261	37%	0.366	S	S	.	.			trans	-119.2	150.8	-178.4	-174.4	0	0	0	0	109.7	H362 I363 S364 R473 L478	H362-V475 HydrophobicContact CB-CB 4.44Å; H362-V475 HydrophobicContact CB-CG2 3.72Å; I363-V475 PolarHBondContact O-N 3.06Å; S364-V475 WeakPolarHBondContact CB-O 3.46Å; R473-V475 HydrophobicContact CG-CG2 3.77Å; V475-L478 WeakPolarHBondContact O-CD2 3.39Å
476	E	77.4	Confident	77.3	Confident	170 Å²	170	55.8 Å²	55.8	79%	0.794	33%	0.332	S	S	*	.	S	Bend	trans	-62.6	140.1	176.1	-64.5	-176.5	169	0	0	110.9
477	P	85.2	Confident	78.4	Confident	35 Å²	35	51.7 Å²	51.7	23%	0.227	29%	0.294	C	S	.	.			cis	-83.4	130.2	3.6	29.9	-31.8	0	0	0	114	F365 A368	F365-P477 HydrophobicContact CB-CG 4.1Å; F365-P477 PolarHBondContact N-O 3.11Å; A368-P477 HydrophobicContact CB-CB 3.61Å; A368-P477 HydrophobicContact CB-CG 3.87Å
478	L	86.8	Confident	79.2	Confident	47 Å²	47	49.6 Å²	49.6	25%	0.246	26%	0.263	C	S	.	.			trans	-98.2	-11.4	176.6	-61.3	179.1	0	0	0	113.9	L449 L474 V475	L449-L478 PolarHBondContact N-O 3.3Å; L474-L478 HydrophobicContact CB-CD1 4.37Å; L474-L478 HydrophobicContact CB-CD2 3.58Å; L474-L478 HydrophobicContact CD2-CD2 4.05Å; L474-L478 HydrophobicContact CG-CD2 4.24Å; V475-L478 WeakPolarHBondContact O-CD2 3.39Å
479	V	90.1	Very high	80.1	Confident	41 Å²	41	46.5 Å²	46.5	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.4	175.5	-179	0	0	0	0	106.2	F446 V447 R448	F446-V479 HydrophobicContact CB-CG1 4Å; F446-V479 HydrophobicContact CD1-CG1 3.96Å; F446-V479 HydrophobicContact CG-CG1 4.36Å; V447-V479 CarbonylContact O-C 3.58Å; V447-V479 WeakPolarHBondContact O-CA 3.36Å; R448-V479 HydrophobicContact CB-CG2 4.3Å; R448-V479 HydrophobicContact CG-CG2 3.96Å
480	A	91.2	Very high	80.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.2	168.3	0	0	0	0	0	108.4	F365 A368 L381 F446 V447	F365-A480 HydrophobicContact CD1-CB 3.97Å; F365-A480 HydrophobicContact CD2-CB 3.86Å; F365-A480 HydrophobicContact CE1-CB 4.01Å; F365-A480 HydrophobicContact CE2-CB 3.87Å; F365-A480 HydrophobicContact CG-CB 3.9Å; F365-A480 HydrophobicContact CZ-CB 3.97Å; A368-A480 WeakPolarHBondContact O-CA 3.38Å; L381-A480 HydrophobicContact CD1-CB 4.49Å; F446-A480 WeakPolarHBondContact CA-O 3.35Å; V447-A480 PolarHBondContact N-O 3.32Å; V447-A480 PolarHBondContact O-N 3.18Å
481	T	91.1	Very high	81.6	Confident	29 Å²	29	37.3 Å²	37.3	18%	0.178	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.8	171.1	-53.5	0	0	0	0	108.3	A368 H369 S370 H444 F446	A368-T481 PolarHBondContact O-N 3.32Å; H369-T481 CarbonylContact C-O 3.59Å; H369-T481 WeakPolarHBondContact CA-O 3.43Å; S370-T481 PolarHBondContact N-O 3.23Å; H444-T481 HydrophobicContact CB-CG2 4.33Å; F446-T481 HydrophobicContact CD1-CG2 4.14Å; F446-T481 HydrophobicContact CE1-CG2 3.79Å; F446-T481 WeakPolarHBondContact CE1-OG1 3.37Å
482	V	91.6	Very high	82.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.1	176.1	-179	0	0	0	0	108.4	S370 L379 L381 H444 F445 V447	S370-V482 CarbonylContact O-C 3.59Å; S370-V482 VanDerWaalsContact O-CA 3.29Å; S370-V482 WeakPolarHBondContact O-CA 3.42Å; L379-V482 HydrophobicContact CD2-CB 4.09Å; L379-V482 HydrophobicContact CD2-CG1 3.33Å; L379-V482 HydrophobicContact CD2-CG2 3.61Å; L381-V482 HydrophobicContact CD1-CG2 4Å; L381-V482 HydrophobicContact CD2-CG2 4.24Å; H444-V482 CarbonylContact C-O 3.58Å; H444-V482 WeakPolarHBondContact CA-O 3.14Å; H444-V482 VanDerWaalsContact CB-O 3.25Å; H444-V482 WeakPolarHBondContact CB-O 3.38Å; F445-V482 HydrophobicContact CD1-CB 3.97Å; F445-V482 HydrophobicContact CD1-CG1 4.15Å; F445-V482 HydrophobicContact CD2-CB 4.41Å; F445-V482 HydrophobicContact CE1-CB 3.59Å; F445-V482 HydrophobicContact CE1-CG1 3.39Å; F445-V482 HydrophobicContact CE1-CG2 4.32Å; F445-V482 HydrophobicContact CE2-CB 4.05Å; F445-V482 HydrophobicContact CE2-CG2 3.98Å; F445-V482 HydrophobicContact CG-CB 4.37Å; F445-V482 HydrophobicContact CZ-CB 3.63Å; F445-V482 HydrophobicContact CZ-CG1 3.62Å; F445-V482 HydrophobicContact CZ-CG2 3.84Å; F445-V482 PolarHBondContact N-O 3.4Å; F445-V482 PolarHBondContact O-N 3.2Å; V447-V482 HydrophobicContact CG2-CG2 4.23Å
483	T	87.8	Confident	82.8	Confident	33 Å²	33	34.7 Å²	34.7	20%	0.202	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	171.2	-50	0	0	0	0	109.6	S370 Q371 C372 D442 E443 L485	S370-T483 PolarHBondContact O-N 3.43Å; Q371-T483 WeakPolarHBondContact CA-O 3.44Å; C372-T483 PolarHBondContact N-O 2.74Å; D442-T483 HydrophobicContact CB-CG2 4.19Å; E443-T483 CarbonylContact O-C 3.56Å; E443-T483 VanDerWaalsContact O-CA 3.3Å; E443-T483 WeakPolarHBondContact O-CA 3.36Å; E443-T483 WeakPolarHBondContact O-CG2 3.38Å; T483-L485 HydrophobicContact CG2-CD2 3.91Å
484	I	85.6	Confident	83.1	Confident	10 Å²	10	29.7 Å²	29.7	5%	0.051	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.9	170.6	-55	174	0	0	0	106.4	C372 E374 A405 D410 I433 E443 F445	C372-I484 WeakPolarHBondContact O-CA 3.48Å; E374-I484 HydrophobicContact CB-CG2 4.24Å; E374-I484 HydrophobicContact CG-CG2 4.21Å; A405-I484 HydrophobicContact CB-CD1 4.07Å; D410-I484 HydrophobicContact CB-CD1 4.06Å; I433-I484 HydrophobicContact CD1-CD1 4.32Å; I433-I484 HydrophobicContact CD1-CG1 4.46Å; I433-I484 HydrophobicContact CG2-CD1 4.41Å; I433-I484 HydrophobicContact CG2-CG2 4.25Å; E443-I484 PolarHBondContact N-O 3.26Å; E443-I484 VanDerWaalsContact N-O 3.16Å; E443-I484 PolarHBondContact O-N 2.91Å; F445-I484 HydrophobicContact CD1-CD1 4.05Å; F445-I484 HydrophobicContact CD1-CG1 4.27Å; F445-I484 HydrophobicContact CE1-CD1 4.02Å; F445-I484 HydrophobicContact CE1-CG1 4.09Å
485	L	81.1	Confident	83.5	Confident	26 Å²	26	27.6 Å²	27.6	14%	0.136	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.5	177.8	-59.3	177	0	0	0	108.5	Q371 C372 M373 E374 D442 T483	Q371-L485 HydrophobicContact CB-CD1 4.29Å; C372-L485 PolarHBondContact O-N 2.98Å; M373-L485 HydrophobicContact SD-CB 4.01Å; M373-L485 HydrophobicContact SD-CD1 4.34Å; E374-L485 PolarHBondContact N-O 3.28Å; E374-L485 VanDerWaalsContact N-O 3.13Å; D442-L485 HydrophobicContact CB-CD2 4.24Å; T483-L485 HydrophobicContact CG2-CD2 3.91Å
486	D	76.9	Confident	83.4	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-62.8	136	169.1	176.3	18	0	0	0	109.3	F439 E440 D488 G518	F439-D486 VanDerWaalsContact CA-OD2 3.31Å; F439-D486 WeakPolarHBondContact CA-OD2 3.49Å; F439-D486 WeakPolarHBondContact CD2-OD2 3.24Å; F439-D486 WeakPolarHBondContact CE2-OD2 3.14Å; E440-D486 PolarHBondContact N-OD2 3.37Å; E440-D486 WeakPolarHBondContact O-CB 3.37Å; D486-D488 WeakPolarHBondContact OD1-CB 3.23Å; D486-D488 PolarHBondContact OD1-N 3.08Å; D486-G518 WeakPolarHBondContact O-CA 3.3Å; D486-G518 PolarHBondContact O-N 2.97Å
487	D	68.5	Low	83.7	Confident	29 Å²	29	26.2 Å²	26.2	16%	0.155	15%	0.147	C	C	.	.			trans	-102.7	1.5	-176.6	84.3	-13.6	0	0	0	114.2	M373 N375 H489	M373-D487 HydrophobicContact CE-CB 3.3Å; N375-D487 PolarHBondContact ND2-OD2 2.97Å; D487-H489 PolarHBondContact O-N 3.23Å
488	D	67.6	Low	83.7	Confident	38 Å²	38	33.1 Å²	33.1	20%	0.203	17%	0.168	C	C	.	.	S	Bend	trans	-86.7	-4.5	-170.3	-93.3	-32.1	0	0	0	116.5	D437 D486 R520	D437-D488 VanDerWaalsContact C-OD2 3.23Å; D486-D488 WeakPolarHBondContact OD1-CB 3.23Å; D486-D488 PolarHBondContact OD1-N 3.08Å; D488-R520 IonicContact OD1-NH1 4Å; D488-R520 PolarHBondContact OD1-NH1 3.48Å
489	H	75.3	Confident	83.7	Confident	16 Å²	16	33.8 Å²	33.8	7%	0.074	17%	0.172	C	C	.	.	S	Bend	trans	-104.3	159.8	178.9	-178.2	97.2	0	0	0	114	F439 D487 G491 S517 G518 A519 R520 M617	F439-H489 HydrophobicContact CD2-CB 4Å; F439-H489 HydrophobicContact CE2-CB 3.69Å; D487-H489 PolarHBondContact O-N 3.23Å; H489-G491 PolarHBondContact CD2-N 3.4Å; H489-G491 PolarHBondContact O-N 3.43Å; H489-S517 WeakPolarHBondContact CB-O 3.35Å; H489-S517 PolarHBondContact CD2-O 3.37Å; H489-G518 CarbonylContact O-C 3.55Å; H489-G518 WeakPolarHBondContact O-CA 3.36Å; H489-A519 PolarHBondContact O-N 2.91Å; H489-R520 WeakPolarHBondContact O-CB 3.17Å; H489-R520 PolarHBondContact O-N 2.89Å; H489-M617 PolarHBondContact CE1-O 3.21Å; H489-M617 PolarHBondContact ND1-O 3.48Å
490	A	71.7	Confident	83.7	Confident	2 Å²	2	33.7 Å²	33.7	2%	0.017	17%	0.171	C	C	.	.			trans	-79.6	-3.6	-176.2	0	0	0	0	0	114.1	R515 W583 G618 P620	A490-R515 PolarHBondContact O-NE 3.24Å; A490-R515 VanDerWaalsContact O-NE 3.11Å; A490-R515 PolarHBondContact O-NH2 2.86Å; A490-W583 HydrophobicContact CB-CH2 4.2Å; A490-W583 HydrophobicContact CB-CZ2 4.02Å; A490-G618 WeakPolarHBondContact CB-O 3.32Å; A490-P620 HydrophobicContact CB-CB 4.41Å
491	G	80.9	Confident	83.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.			trans	97.8	142.1	174.2	0	0	0	0	0	115.7	H489 F493 N516 G518 P620 I621	H489-G491 PolarHBondContact CD2-N 3.4Å; H489-G491 PolarHBondContact O-N 3.43Å; G491-F493 WeakPolarHBondContact O-CE2 3.24Å; G491-N516 CarbonylContact C-O 3.52Å; G491-N516 WeakPolarHBondContact CA-O 3.47Å; G491-G518 WeakPolarHBondContact CA-O 3.49Å; G491-G518 PolarHBondContact N-O 3.5Å; G491-P620 WeakPolarHBondContact O-CA 3.33Å; G491-I621 PolarHBondContact O-N 3.26Å
492	I	86.5	Confident	83.4	Confident	41 Å²	41	40.7 Å²	40.7	21%	0.21	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.7	174	-55.8	179.4	0	0	0	108.7	R515 N516 I621 G623	I492-R515 CarbonylContact O-C 3.56Å; I492-R515 WeakPolarHBondContact O-CA 3.37Å; I492-N516 PolarHBondContact N-O 2.94Å; I492-N516 PolarHBondContact O-N 3.18Å; I492-I621 WeakPolarHBondContact CA-O 2.89Å; I492-I621 HydrophobicContact CB-CG1 4.37Å; I492-I621 HydrophobicContact CD1-CD1 4.22Å; I492-I621 HydrophobicContact CD1-CG1 4.49Å; I492-I621 HydrophobicContact CG1-CD1 4.08Å; I492-I621 HydrophobicContact CG1-CG1 3.81Å; I492-I621 HydrophobicContact CG2-CG1 4.25Å; I492-G623 VanDerWaalsContact CG2-CA 3.4Å
493	F	89.3	Confident	82.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.9	-174.2	-62.2	-90.8	0	0	0	111.7	G491 V514 R515 V523 L525 F549 P581 P620 I621 L622 G623	G491-F493 WeakPolarHBondContact O-CE2 3.24Å; F493-V514 WeakPolarHBondContact CA-O 3.34Å; F493-R515 HydrophobicContact CD1-CB 4Å; F493-R515 HydrophobicContact CD1-CG 4.15Å; F493-R515 HydrophobicContact CE1-CB 3.75Å; F493-R515 HydrophobicContact CE1-CG 3.57Å; F493-R515 HydrophobicContact CE2-CG 4.3Å; F493-R515 HydrophobicContact CZ-CB 4.35Å; F493-R515 HydrophobicContact CZ-CG 3.66Å; F493-V523 HydrophobicContact CE1-CB 4.46Å; F493-V523 HydrophobicContact CE1-CG1 4.38Å; F493-V523 HydrophobicContact CE2-CB 4.11Å; F493-V523 HydrophobicContact CE2-CG1 3.61Å; F493-V523 HydrophobicContact CE2-CG2 4.25Å; F493-V523 HydrophobicContact CZ-CB 3.59Å; F493-V523 HydrophobicContact CZ-CG1 3.52Å; F493-V523 HydrophobicContact CZ-CG2 3.95Å; F493-L525 HydrophobicContact CB-CD1 4.19Å; F493-L525 HydrophobicContact CB-CD2 3.84Å; F493-L525 HydrophobicContact CD1-CD2 3.97Å; F493-L525 HydrophobicContact CG-CD1 4.39Å; F493-L525 HydrophobicContact CG-CD2 4.11Å; F493-F549 HydrophobicContact CD1-CD2 4.04Å; F493-F549 HydrophobicContact CD1-CE1 4.43Å; F493-F549 AromaticContact CD1-CE2 3.79Å; F493-F549 HydrophobicContact CD1-CE2 3.79Å; F493-F549 HydrophobicContact CD1-CG 4.46Å; F493-F549 AromaticContact CD1-CZ 4Å; F493-F549 HydrophobicContact CD1-CZ 4Å; F493-F549 HydrophobicContact CE1-CB 4.16Å; F493-F549 AromaticContact CE1-CD1 3.96Å; F493-F549 HydrophobicContact CE1-CD1 3.96Å; F493-F549 AromaticContact CE1-CD2 3.5Å; F493-F549 HydrophobicContact CE1-CD2 3.5Å; F493-F549 HydrophobicContact CE1-CE1 4.17Å; F493-F549 AromaticContact CE1-CE2 3.74Å; F493-F549 HydrophobicContact CE1-CE2 3.74Å; F493-F549 AromaticContact CE1-CG 3.62Å; F493-F549 HydrophobicContact CE1-CG 3.62Å; F493-F549 HydrophobicContact CE1-CZ 4.07Å; F493-F549 HydrophobicContact CZ-CG 4.48Å; F493-P581 HydrophobicContact CD2-CB 4.02Å; F493-P581 HydrophobicContact CD2-CG 4.18Å; F493-P581 HydrophobicContact CE2-CB 4.22Å; F493-P620 HydrophobicContact CD2-CB 4.35Å; F493-P620 HydrophobicContact CE2-CB 3.7Å; F493-I621 PolarHBondContact N-O 2.92Å; F493-L622 HydrophobicContact CB-CD2 4.45Å; F493-G623 PolarHBondContact O-N 3.03Å
494	T	90.6	Very high	82.6	Confident	12 Å²	12	42 Å²	42	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.4	-179	-164.6	0	0	0	0	112.1	V514 H625	T494-V514 HydrophobicContact CG2-CG2 3.62Å; T494-V514 PolarHBondContact N-O 3.42Å; T494-V514 VanDerWaalsContact O-CG2 3.27Å; T494-V514 WeakPolarHBondContact O-CG2 3.49Å; T494-V514 PolarHBondContact O-N 3.32Å; T494-H625 WeakPolarHBondContact OG1-CA 3.27Å; T494-H625 WeakPolarHBondContact OG1-CB 3.24Å; T494-H625 PolarHBondContact OG1-N 3.11Å; T494-H625 PolarHBondContact OG1-O 2.83Å
495	F	92	Very high	82.2	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	147.4	167	-67.7	-66.7	0	0	0	110.9	E497 V511 V513 L558 I576 L578 H625 L628	F495-E497 WeakPolarHBondContact CB-O 3.26Å; F495-E497 PolarHBondContact O-N 3.32Å; F495-V511 HydrophobicContact CD1-CG1 3.75Å; F495-V511 HydrophobicContact CE1-CG1 3.7Å; F495-V513 HydrophobicContact CD1-CG2 3.95Å; F495-V513 HydrophobicContact CE1-CG2 3.73Å; F495-L558 HydrophobicContact CE1-CD2 4.36Å; F495-I576 HydrophobicContact CE1-CG2 4.49Å; F495-I576 WeakPolarHBondContact CE2-O 3.32Å; F495-I576 HydrophobicContact CZ-CB 4.22Å; F495-I576 HydrophobicContact CZ-CG2 3.91Å; F495-L578 HydrophobicContact CD2-CD1 4Å; F495-L578 HydrophobicContact CD2-CG 4.24Å; F495-L578 HydrophobicContact CE1-CD1 4.31Å; F495-L578 HydrophobicContact CE1-CD2 4.06Å; F495-L578 HydrophobicContact CE1-CG 4.21Å; F495-L578 HydrophobicContact CE2-CD1 3.8Å; F495-L578 HydrophobicContact CE2-CD2 4.18Å; F495-L578 HydrophobicContact CE2-CG 3.52Å; F495-L578 HydrophobicContact CG-CD1 4.37Å; F495-L578 HydrophobicContact CZ-CD1 3.96Å; F495-L578 HydrophobicContact CZ-CD2 3.61Å; F495-L578 HydrophobicContact CZ-CG 3.5Å; F495-L578 VanDerWaalsContact CZ-CG 3.5Å; F495-H625 HydrophobicContact CB-CB 4.24Å; F495-H625 WeakPolarHBondContact CD2-O 3.43Å; F495-H625 PolarHBondContact N-O 3.1Å; F495-L628 HydrophobicContact CD1-CB 4.33Å; F495-L628 HydrophobicContact CD1-CD2 4.4Å; F495-L628 HydrophobicContact CD2-CB 3.68Å; F495-L628 HydrophobicContact CE1-CB 4.42Å; F495-L628 HydrophobicContact CE2-CB 3.75Å; F495-L628 HydrophobicContact CG-CB 3.97Å; F495-L628 HydrophobicContact CZ-CB 4.14Å
496	S	83.7	Confident	82.1	Confident	69 Å²	69	47.3 Å²	47.3	48%	0.483	24%	0.24	S	C	.	.	S	Bend	trans	-62.7	-31.7	177.5	-52.3	0	0	0	0	112.3	T512 V514	S496-T512 PolarHBondContact OG-O 3.45Å; S496-V514 WeakPolarHBondContact OG-CG1 3.41Å
497	E	84.3	Confident	82.4	Confident	116 Å²	116	48.5 Å²	48.5	54%	0.542	25%	0.253	S	S	.	.			trans	-138.2	156.5	-178.3	-61.3	-176.4	174.6	0	0	110.7	F495 V500 L628	F495-E497 WeakPolarHBondContact CB-O 3.26Å; F495-E497 PolarHBondContact O-N 3.32Å; E497-V500 HydrophobicContact CB-CG2 4.37Å; E497-L628 VanDerWaalsContact O-CD1 3.25Å; E497-L628 WeakPolarHBondContact O-CD1 3.44Å
498	R	84.1	Confident	83.2	Confident	179 Å²	179	50.2 Å²	50.2	68%	0.675	27%	0.265	S	S	*	.	S	Bend	trans	-84.9	-26.6	176.2	-178.7	176.7	168.8	-175.7	-2.1	113.4	E629	R498-E629 PolarHBondContact O-N 2.96Å
499	L	88.6	Confident	84.2	Confident	62 Å²	62	48.8 Å²	48.8	33%	0.325	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	121.6	-172.9	178.1	75.3	0	0	0	108.9	E629 V631	L499-E629 WeakPolarHBondContact CA-O 3.48Å; L499-E629 HydrophobicContact CD1-CB 3.89Å; L499-E629 HydrophobicContact CD1-CG 3.74Å; L499-V631 HydrophobicContact CD1-CG2 3.6Å
500	V	89.3	Confident	84.9	Confident	38 Å²	38	53.9 Å²	53.9	23%	0.23	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.7	174.1	173.5	0	0	0	0	109	E497 V502 L628 E629 V630 V631	E497-V500 HydrophobicContact CB-CG2 4.37Å; V500-V502 HydrophobicContact CG1-CG1 3.88Å; V500-L628 HydrophobicContact CB-CD1 4.3Å; V500-L628 HydrophobicContact CG2-CD1 3.77Å; V500-L628 HydrophobicContact CG2-CD2 4.33Å; V500-E629 PolarHBondContact N-O 3.14Å; V500-V630 WeakPolarHBondContact O-CA 3.37Å; V500-V631 PolarHBondContact O-N 3.2Å
501	R	88.6	Confident	85.8	Confident	160 Å²	160	54.2 Å²	54.2	60%	0.604	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.2	173.6	-70.6	177.3	168.7	102.9	6.8	109.2	V631 E633	R501-V631 WeakPolarHBondContact CA-O 3.42Å; R501-V631 HydrophobicContact CG-CB 4.36Å; R501-E633 WeakPolarHBondContact CD-OE1 3.32Å; R501-E633 IonicContact NE-OE1 2.89Å; R501-E633 PolarHBondContact NE-OE1 2.96Å
502	V	86.8	Confident	86.2	Confident	16 Å²	16	56.8 Å²	56.8	10%	0.097	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143	179.5	-62.9	0	0	0	0	110	V500 M509 I562 V630 V631 I632 E633	V500-V502 HydrophobicContact CG1-CG1 3.88Å; V502-M509 HydrophobicContact CB-CE 4.45Å; V502-M509 HydrophobicContact CG1-CB 4.27Å; V502-M509 HydrophobicContact CG1-CE 4.1Å; V502-M509 HydrophobicContact CG1-SD 4.23Å; V502-M509 HydrophobicContact CG2-CE 3.83Å; V502-I562 HydrophobicContact CG2-CG1 4.47Å; V502-V630 HydrophobicContact CG1-CG1 4.29Å; V502-V630 HydrophobicContact CG2-CG1 3.71Å; V502-V631 PolarHBondContact N-O 2.95Å; V502-I632 HydrophobicContact CG2-CG1 4.14Å; V502-I632 WeakPolarHBondContact O-CA 3.38Å; V502-E633 PolarHBondContact O-N 3.02Å
503	S	80.9	Confident	86.5	Confident	29 Å²	29	54.9 Å²	54.9	20%	0.203	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	143.1	168.6	177.7	0	0	0	0	109.8	S505 V506 E633	S503-S505 PolarHBondContact O-N 3.32Å; S503-S505 VanDerWaalsContact O-N 3.09Å; S503-S505 PolarHBondContact OG-N 2.86Å; S503-S505 PolarHBondContact OG-OG 3.13Å; S503-V506 WeakPolarHBondContact O-CB 3.2Å; S503-V506 VanDerWaalsContact O-CG2 3.32Å; S503-V506 WeakPolarHBondContact O-CG2 3.33Å; S503-V506 PolarHBondContact O-N 3.37Å; S503-E633 WeakPolarHBondContact CA-O 3.32Å
504	E	81.9	Confident	86.5	Confident	33 Å²	33	56 Å²	56	15%	0.154	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-51.2	-29.8	170.1	69.2	-163.8	168.6	0	0	112.9	V506 I632 E633	E504-V506 VanDerWaalsContact C-N 3.32Å; E504-V506 PolarHBondContact O-N 3.08Å; E504-I632 HydrophobicContact CB-CG2 4.03Å; E504-E633 PolarHBondContact N-O 3.08Å
505	S	76.8	Confident	86.3	Confident	75 Å²	75	55.6 Å²	55.6	52%	0.524	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-80.7	-3.3	-178.4	64.4	0	0	0	0	115.3	S503 G507	S503-S505 PolarHBondContact O-N 3.32Å; S503-S505 VanDerWaalsContact O-N 3.09Å; S503-S505 PolarHBondContact OG-N 2.86Å; S503-S505 PolarHBondContact OG-OG 3.13Å; S505-G507 VanDerWaalsContact C-N 3.27Å; S505-G507 PolarHBondContact O-N 3.02Å
506	V	80.4	Confident	85.8	Confident	72 Å²	72	58.8 Å²	58.8	44%	0.436	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-65.4	-30	-177.4	165.4	0	0	0	0	112.1	S503 E504 T508 M509	S503-V506 WeakPolarHBondContact O-CB 3.2Å; S503-V506 VanDerWaalsContact O-CG2 3.32Å; S503-V506 WeakPolarHBondContact O-CG2 3.33Å; S503-V506 PolarHBondContact O-N 3.37Å; E504-V506 VanDerWaalsContact C-N 3.32Å; E504-V506 PolarHBondContact O-N 3.08Å; V506-T508 WeakPolarHBondContact CG1-O 3.36Å; V506-T508 PolarHBondContact O-N 3.32Å; V506-M509 HydrophobicContact CG1-CB 4.47Å
507	G	82.4	Confident	85.4	Confident	28 Å²	28	56.8 Å²	56.8	29%	0.289	30%	0.296	S	S	.	.	S	Bend	trans	73	-55.9	179.1	0	0	0	0	0	114.5	S505 R561 I562	S505-G507 VanDerWaalsContact C-N 3.27Å; S505-G507 PolarHBondContact O-N 3.02Å; G507-R561 WeakPolarHBondContact O-CA 3.45Å; G507-R561 WeakPolarHBondContact O-CG 3.34Å; G507-I562 PolarHBondContact O-N 3.4Å
508	T	86.6	Confident	84.8	Confident	66 Å²	66	51.5 Å²	51.5	41%	0.405	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	117.5	173.5	-56.4	0	0	0	0	109.5	V506 Q559	V506-T508 WeakPolarHBondContact CG1-O 3.36Å; V506-T508 PolarHBondContact O-N 3.32Å; T508-Q559 HydrophobicContact CG2-CB 4.02Å; T508-Q559 HydrophobicContact CG2-CG 4.39Å
509	M	88	Confident	84.5	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.8	173.3	84	177.1	70.9	0	0	110.2	V502 V506 V511 Q559 V560 I562 F574 V630	V502-M509 HydrophobicContact CB-CE 4.45Å; V502-M509 HydrophobicContact CG1-CB 4.27Å; V502-M509 HydrophobicContact CG1-CE 4.1Å; V502-M509 HydrophobicContact CG1-SD 4.23Å; V502-M509 HydrophobicContact CG2-CE 3.83Å; V506-M509 HydrophobicContact CG1-CB 4.47Å; M509-V511 HydrophobicContact CG-CG2 4.1Å; M509-V511 HydrophobicContact SD-CG2 3.93Å; M509-Q559 WeakPolarHBondContact O-CA 3.33Å; M509-V560 HydrophobicContact CG-CB 3.99Å; M509-V560 PolarHBondContact N-O 3.12Å; M509-V560 PolarHBondContact O-N 3.3Å; M509-V560 HydrophobicContact SD-CB 4.43Å; M509-I562 HydrophobicContact CE-CD1 3.16Å; M509-I562 HydrophobicContact CE-CG1 3.23Å; M509-F574 HydrophobicContact CE-CE1 4Å; M509-F574 HydrophobicContact CE-CZ 3.61Å; M509-F574 HydrophobicContact SD-CZ 4.19Å; M509-V630 HydrophobicContact CE-CG1 3.73Å; M509-V630 HydrophobicContact SD-CG1 3.91Å; M509-V630 HydrophobicContact SD-CG2 4.2Å
510	E	90.3	Very high	83.8	Confident	123 Å²	123	46.8 Å²	46.8	58%	0.575	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	126.9	171.4	-53.9	-159.8	138.5	0	0	109	L558 Q559	E510-L558 WeakPolarHBondContact CA-O 3.3Å; E510-Q559 HydrophobicContact CG-CG 4.23Å; E510-Q559 PolarHBondContact OE1-NE2 3.28Å
511	V	90.4	Very high	83.2	Confident	9 Å²	9	45.2 Å²	45.2	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.5	179.1	176.1	0	0	0	0	108.6	F495 M509 T557 L558 I576 L628	F495-V511 HydrophobicContact CD1-CG1 3.75Å; F495-V511 HydrophobicContact CE1-CG1 3.7Å; M509-V511 HydrophobicContact CG-CG2 4.1Å; M509-V511 HydrophobicContact SD-CG2 3.93Å; V511-T557 CarbonylContact O-C 3.56Å; V511-T557 WeakPolarHBondContact O-CA 3.26Å; V511-L558 HydrophobicContact CB-CD1 3.89Å; V511-L558 HydrophobicContact CB-CG 3.96Å; V511-L558 HydrophobicContact CG1-CG 4.45Å; V511-L558 HydrophobicContact CG2-CD1 4.38Å; V511-L558 PolarHBondContact N-O 3.21Å; V511-L558 PolarHBondContact O-N 3.4Å; V511-I576 HydrophobicContact CG2-CD1 3.99Å; V511-L628 HydrophobicContact CB-CD2 4.42Å; V511-L628 HydrophobicContact CG1-CD2 3.48Å; V511-L628 VanDerWaalsContact CG1-CD2 3.48Å; V511-L628 HydrophobicContact CG2-CD2 4.03Å
512	T	89.6	Confident	83	Confident	54 Å²	54	38.9 Å²	38.9	33%	0.331	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.8	-178	-50.4	0	0	0	0	111.2	S496 V514 T557	S496-T512 PolarHBondContact OG-O 3.45Å; T512-V514 HydrophobicContact CG2-CG1 4.45Å; T512-T557 HydrophobicContact CG2-CG2 4.27Å
513	V	91.5	Very high	83.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.8	169.9	-176.8	0	0	0	0	108.7	F495 L525 L547 F549 T555 Q556 L558 L578	F495-V513 HydrophobicContact CD1-CG2 3.95Å; F495-V513 HydrophobicContact CE1-CG2 3.73Å; V513-L525 HydrophobicContact CG1-CD2 3.8Å; V513-L547 HydrophobicContact CB-CD1 4.17Å; V513-L547 HydrophobicContact CG2-CD1 3.74Å; V513-F549 HydrophobicContact CB-CZ 4.28Å; V513-F549 HydrophobicContact CG1-CZ 4.1Å; V513-T555 WeakPolarHBondContact O-CA 3.3Å; V513-Q556 PolarHBondContact N-O 3.46Å; V513-Q556 PolarHBondContact O-N 3.47Å; V513-L558 HydrophobicContact CG2-CD2 4.13Å; V513-L578 HydrophobicContact CG1-CD1 4.07Å; V513-L578 HydrophobicContact CG2-CD2 4.09Å
514	V	89.3	Confident	83.5	Confident	23 Å²	23	37.3 Å²	37.3	14%	0.139	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.4	-179.5	-61.4	0	0	0	0	110.4	F493 T494 S496 T512 T555	F493-V514 WeakPolarHBondContact CA-O 3.34Å; T494-V514 HydrophobicContact CG2-CG2 3.62Å; T494-V514 PolarHBondContact N-O 3.42Å; T494-V514 VanDerWaalsContact O-CG2 3.27Å; T494-V514 WeakPolarHBondContact O-CG2 3.49Å; T494-V514 PolarHBondContact O-N 3.32Å; S496-V514 WeakPolarHBondContact OG-CG1 3.41Å; T512-V514 HydrophobicContact CG2-CG1 4.45Å; V514-T555 HydrophobicContact CG1-CG2 4.22Å
515	R	87.4	Confident	83.9	Confident	5 Å²	5	35.7 Å²	35.7	2%	0.019	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	107.8	174.6	179.5	-168.5	-169.3	178.9	1.7	107.3	A490 I492 F493 G518 A519 R520 G521 F549 T550 Q553 T554	A490-R515 PolarHBondContact O-NE 3.24Å; A490-R515 VanDerWaalsContact O-NE 3.11Å; A490-R515 PolarHBondContact O-NH2 2.86Å; I492-R515 CarbonylContact O-C 3.56Å; I492-R515 WeakPolarHBondContact O-CA 3.37Å; F493-R515 HydrophobicContact CD1-CB 4Å; F493-R515 HydrophobicContact CD1-CG 4.15Å; F493-R515 HydrophobicContact CE1-CB 3.75Å; F493-R515 HydrophobicContact CE1-CG 3.57Å; F493-R515 HydrophobicContact CE2-CG 4.3Å; F493-R515 HydrophobicContact CZ-CB 4.35Å; F493-R515 HydrophobicContact CZ-CG 3.66Å; R515-G518 PolarHBondContact NE-O 3.26Å; R515-A519 VanDerWaalsContact CZ-C 3.46Å; R515-A519 PolarHBondContact NH1-O 3.47Å; R515-A519 PolarHBondContact NH2-O 2.91Å; R515-R520 PolarHBondContact NH2-O 3.49Å; R515-G521 PolarHBondContact NH1-O 3.19Å; R515-G521 PolarHBondContact NH2-O 3.16Å; R515-F549 HydrophobicContact CB-CD1 4.15Å; R515-F549 HydrophobicContact CB-CE1 4Å; R515-T550 PolarHBondContact NH1-O 2.96Å; R515-T550 VanDerWaalsContact NH1-O 3.09Å; R515-Q553 VanDerWaalsContact CD-O 3.22Å; R515-Q553 WeakPolarHBondContact CD-O 3.23Å; R515-Q553 PolarHBondContact NH1-O 3.2Å; R515-T554 WeakPolarHBondContact CB-O 3.35Å; R515-T554 PolarHBondContact N-O 3.4Å
516	N	81.8	Confident	84.7	Confident	70 Å²	70	32.5 Å²	32.5	37%	0.374	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	164.3	-174.4	-61.7	-11.4	0	0	0	111.4	G491 I492	G491-N516 CarbonylContact C-O 3.52Å; G491-N516 WeakPolarHBondContact CA-O 3.47Å; I492-N516 PolarHBondContact N-O 2.94Å; I492-N516 PolarHBondContact O-N 3.18Å
517	S	73.5	Confident	85.4	Confident	27 Å²	27	30.7 Å²	30.7	19%	0.189	17%	0.166	C	C	.	.	S	Bend	trans	52.9	58.9	175.9	-45.4	0	0	0	0	111.4	H489	H489-S517 WeakPolarHBondContact CB-O 3.35Å; H489-S517 PolarHBondContact CD2-O 3.37Å
518	G	72.9	Confident	85.9	Confident	5 Å²	5	30.8 Å²	30.8	5%	0.052	16%	0.159	C	C	.	.			trans	105.4	141.7	175.6	0	0	0	0	0	116.8	D486 H489 G491 R515	D486-G518 WeakPolarHBondContact O-CA 3.3Å; D486-G518 PolarHBondContact O-N 2.97Å; H489-G518 CarbonylContact O-C 3.55Å; H489-G518 WeakPolarHBondContact O-CA 3.36Å; G491-G518 WeakPolarHBondContact CA-O 3.49Å; G491-G518 PolarHBondContact N-O 3.5Å; R515-G518 PolarHBondContact NE-O 3.26Å
519	A	77.9	Confident	86.3	Confident	2 Å²	2	27.9 Å²	27.9	2%	0.017	14%	0.141	C	C	.	.			trans	-120.6	18.6	-176.3	0	0	0	0	0	113.4	H489 R515 D552 T554	H489-A519 PolarHBondContact O-N 2.91Å; R515-A519 VanDerWaalsContact CZ-C 3.46Å; R515-A519 PolarHBondContact NH1-O 3.47Å; R515-A519 PolarHBondContact NH2-O 2.91Å; A519-D552 PolarHBondContact O-N 3.35Å; A519-T554 HydrophobicContact CB-CG2 4.12Å
520	R	74.2	Confident	86.5	Confident	139 Å²	139	31.1 Å²	31.1	53%	0.525	16%	0.156	S	C	.	.			trans	-79.1	123.6	-168.4	-159.8	166.3	-174.5	160.2	4.6	113.3	D488 H489 R515	D488-R520 IonicContact OD1-NH1 4Å; D488-R520 PolarHBondContact OD1-NH1 3.48Å; H489-R520 WeakPolarHBondContact O-CB 3.17Å; H489-R520 PolarHBondContact O-N 2.89Å; R515-R520 PolarHBondContact NH2-O 3.49Å
521	G	76.4	Confident	86.5	Confident	6 Å²	6	28.2 Å²	28.2	6%	0.062	15%	0.149	C	C	.	.	S	Bend	trans	77.7	171.6	178.6	0	0	0	0	0	114.7	R515 N551	R515-G521 PolarHBondContact NH1-O 3.19Å; R515-G521 PolarHBondContact NH2-O 3.16Å; G521-N551 WeakPolarHBondContact CA-OD1 3.2Å; G521-N551 PolarHBondContact N-OD1 3.09Å
522	T	84.6	Confident	86.3	Confident	26 Å²	26	29.5 Å²	29.5	16%	0.16	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.9	-177.3	-49.5	0	0	0	0	111.3	E548 F549 L584	T522-E548 HydrophobicContact CG2-CG 4.13Å; T522-F549 CarbonylContact C-O 3.59Å; T522-F549 VanDerWaalsContact CA-O 3.25Å; T522-F549 WeakPolarHBondContact CA-O 3.26Å; T522-F549 WeakPolarHBondContact CG2-O 3.44Å; T522-L584 PolarHBondContact O-N 3.36Å
523	V	87.4	Confident	86.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.5	-177.9	-177.6	0	0	0	0	110.2	F493 F549 P581 R582 P620	F493-V523 HydrophobicContact CE1-CB 4.46Å; F493-V523 HydrophobicContact CE1-CG1 4.38Å; F493-V523 HydrophobicContact CE2-CB 4.11Å; F493-V523 HydrophobicContact CE2-CG1 3.61Å; F493-V523 HydrophobicContact CE2-CG2 4.25Å; F493-V523 HydrophobicContact CZ-CB 3.59Å; F493-V523 HydrophobicContact CZ-CG1 3.52Å; F493-V523 HydrophobicContact CZ-CG2 3.95Å; V523-F549 PolarHBondContact N-O 3.4Å; V523-F549 PolarHBondContact O-N 2.82Å; V523-P581 HydrophobicContact CG1-CB 3.64Å; V523-R582 WeakPolarHBondContact CA-O 3.4Å; V523-P620 HydrophobicContact CG1-CB 4.04Å; V523-P620 HydrophobicContact CG1-CG 4.21Å; V523-P620 HydrophobicContact CG2-CB 4.09Å; V523-P620 HydrophobicContact CG2-CG 4.22Å
524	V	89.9	Confident	85.9	Confident	12 Å²	12	29.9 Å²	29.9	7%	0.073	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.2	172.3	161.2	0	0	0	0	110.3	E546 L547 E548 P581 R582 L584	V524-E546 HydrophobicContact CG1-CB 3.96Å; V524-E546 HydrophobicContact CG1-CG 4.25Å; V524-L547 CarbonylContact C-O 3.49Å; V524-L547 WeakPolarHBondContact CA-O 3.16Å; V524-E548 HydrophobicContact CG2-CB 4.11Å; V524-E548 HydrophobicContact CG2-CG 4.06Å; V524-P581 WeakPolarHBondContact O-CA 3.25Å; V524-R582 PolarHBondContact N-O 2.99Å; V524-R582 PolarHBondContact O-N 3.42Å; V524-L584 HydrophobicContact CB-CD1 3.93Å; V524-L584 HydrophobicContact CG2-CD1 3.29Å; V524-L584 HydrophobicContact CG2-CG 4.48Å
525	L	91.4	Very high	85.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	104.1	-175.8	-176.6	72.4	0	0	0	110.5	F493 V513 L547 F549 L578 E579 P581 L622	F493-L525 HydrophobicContact CB-CD1 4.19Å; F493-L525 HydrophobicContact CB-CD2 3.84Å; F493-L525 HydrophobicContact CD1-CD2 3.97Å; F493-L525 HydrophobicContact CG-CD1 4.39Å; F493-L525 HydrophobicContact CG-CD2 4.11Å; V513-L525 HydrophobicContact CG1-CD2 3.8Å; L525-L547 HydrophobicContact CB-CB 4.38Å; L525-L547 PolarHBondContact N-O 2.84Å; L525-L547 PolarHBondContact O-N 3.48Å; L525-F549 HydrophobicContact CB-CE2 4.48Å; L525-F549 HydrophobicContact CD2-CE2 4.25Å; L525-L578 HydrophobicContact CD2-CD1 4.21Å; L525-L578 HydrophobicContact CD2-CD2 3.91Å; L525-L578 HydrophobicContact CD2-CG 4.46Å; L525-L578 HydrophobicContact CG-CD2 4.37Å; L525-E579 WeakPolarHBondContact CD1-O 3.36Å; L525-P581 HydrophobicContact CD1-CB 3.95Å; L525-L622 HydrophobicContact CD1-CD2 3.87Å
526	P	93.8	Very high	85.7	Confident	8 Å²	8	35.4 Å²	35.4	5%	0.052	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	148.2	175.6	-12.6	27.7	0	0	0	112.5	G545 E546 E579	P526-G545 WeakPolarHBondContact CA-O 3.31Å; P526-E546 HydrophobicContact CB-CG 4.12Å; P526-E546 HydrophobicContact CG-CG 4.31Å; P526-E579 HydrophobicContact CB-CB 4.03Å; P526-E579 HydrophobicContact CB-CG 4.34Å; P526-E579 HydrophobicContact CG-CB 4.33Å; P526-E579 PolarHBondContact O-N 2.9Å
527	Y	94.1	Very high	85.6	Confident	33 Å²	33	34.8 Å²	34.8	13%	0.129	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.7	175.2	74.6	-87	0	0	0	112.8	A543 R544 G545 L547 L558 I576 V577	Y527-A543 HydrophobicContact CE2-CB 4.4Å; Y527-R544 WeakPolarHBondContact O-CA 3.03Å; Y527-G545 WeakPolarHBondContact CD1-O 3.2Å; Y527-G545 PolarHBondContact N-O 3.05Å; Y527-G545 PolarHBondContact O-N 3.17Å; Y527-L547 HydrophobicContact CD1-CD1 4.29Å; Y527-L547 HydrophobicContact CD1-CD2 4.22Å; Y527-L547 HydrophobicContact CD1-CG 3.81Å; Y527-L547 HydrophobicContact CE1-CD2 3.8Å; Y527-L547 HydrophobicContact CE1-CG 3.92Å; Y527-L558 HydrophobicContact CD1-CD2 4.39Å; Y527-L558 HydrophobicContact CD2-CD2 3.96Å; Y527-L558 HydrophobicContact CE1-CB 4.31Å; Y527-L558 HydrophobicContact CE2-CB 4.27Å; Y527-L558 HydrophobicContact CE2-CD1 4.17Å; Y527-L558 HydrophobicContact CE2-CD2 4.13Å; Y527-L558 HydrophobicContact CE2-CG 4.43Å; Y527-L558 HydrophobicContact CG-CD2 4.09Å; Y527-I576 HydrophobicContact CD2-CG2 4.49Å; Y527-V577 VanDerWaalsContact CA-O 3.3Å; Y527-V577 WeakPolarHBondContact CA-O 3.42Å
528	H	93.8	Very high	86	Confident	31 Å²	31	39.8 Å²	39.8	14%	0.144	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.9	172.1	68.2	-80.6	0	0	0	112.8	E530 A543 R544 V577 E579	H528-E530 IonicContact CD2-OE1 3.7Å; H528-E530 IonicContact CE1-OE1 2.79Å; H528-E530 WeakPolarHBondContact NE2-CG 3.32Å; H528-E530 IonicContact NE2-OE1 2.73Å; H528-E530 PolarHBondContact NE2-OE1 3.46Å; H528-A543 WeakPolarHBondContact CA-O 3.49Å; H528-R544 HydrophobicContact CB-CG 3.86Å; H528-V577 PolarHBondContact N-O 2.7Å; H528-V577 VanDerWaalsContact N-O 3.08Å; H528-V577 PolarHBondContact O-N 3.48Å; H528-E579 IonicContact ND1-OE1 3.9Å
529	T	94.3	Very high	86.6	Confident	5 Å²	5	40 Å²	40	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	142.3	170.7	55.1	0	0	0	0	111.9	Y540 A543 V560 F574 F575 I576	T529-Y540 HydrophobicContact CG2-CE2 4.24Å; T529-A543 HydrophobicContact CG2-CB 3.88Å; T529-A543 PolarHBondContact N-O 3.14Å; T529-A543 PolarHBondContact OG1-N 3.49Å; T529-A543 VanDerWaalsContact OG1-N 3.12Å; T529-A543 PolarHBondContact OG1-O 2.86Å; T529-V560 HydrophobicContact CG2-CG2 4.39Å; T529-F574 HydrophobicContact CG2-CE2 4.48Å; T529-F575 CarbonylContact C-O 3.54Å; T529-F575 WeakPolarHBondContact CA-O 3.4Å; T529-I576 HydrophobicContact CG2-CG1 4.31Å
530	E	92.6	Very high	87.2	Confident	76 Å²	76	39.9 Å²	39.9	36%	0.355	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.2	173.9	-62.6	-175.5	163.1	0	0	111	H528 F575 V577	H528-E530 IonicContact CD2-OE1 3.7Å; H528-E530 IonicContact CE1-OE1 2.79Å; H528-E530 WeakPolarHBondContact NE2-CG 3.32Å; H528-E530 IonicContact NE2-OE1 2.73Å; H528-E530 PolarHBondContact NE2-OE1 3.46Å; E530-F575 HydrophobicContact CB-CB 4.32Å; E530-F575 PolarHBondContact N-O 3.25Å; E530-F575 PolarHBondContact O-N 3.32Å; E530-V577 HydrophobicContact CG-CG2 4.13Å
531	S	89.9	Confident	87.9	Confident	62 Å²	62	37.4 Å²	37.4	43%	0.434	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135.4	177.5	-52.6	0	0	0	0	112.1	A534 Y540	S531-A534 WeakPolarHBondContact CB-O 3.3Å; S531-Y540 WeakPolarHBondContact CA-OH 3.49Å; S531-Y540 PolarHBondContact N-OH 3.36Å; S531-Y540 PolarHBondContact OG-OH 2.94Å
532	G	86.9	Confident	88.6	Confident	35 Å²	35	42.4 Å²	42.4	36%	0.361	25%	0.247	S	C	.	.	S	Bend	trans	-106	-114.1	170.9	0	0	0	0	0	110.2	A534 N573	G532-A534 PolarHBondContact N-O 3.15Å; G532-N573 CarbonylContact C-O 3.6Å; G532-N573 WeakPolarHBondContact CA-O 3.44Å; G532-N573 PolarHBondContact N-O 2.61Å
533	S	85.1	Confident	88.8	Confident	63 Å²	63	41.8 Å²	41.8	44%	0.441	25%	0.245	S	C	.	.	S	Bend	trans	-81	-29.6	164.6	51.6	0	0	0	0	112.6	E572 N573	S533-E572 WeakPolarHBondContact OG-CA 3.19Å; S533-N573 PolarHBondContact N-O 2.92Å; S533-N573 PolarHBondContact N-OD1 3.46Å; S533-N573 VanDerWaalsContact N-OD1 3.09Å; S533-N573 PolarHBondContact OG-N 2.66Å; S533-N573 PolarHBondContact OG-OD1 3.48Å
534	A	86.1	Confident	89	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-78.4	134.8	169.3	0	0	0	0	0	110.5	S531 G532 D539 Y540 E572 N573 F574 I632	S531-A534 WeakPolarHBondContact CB-O 3.3Å; G532-A534 PolarHBondContact N-O 3.15Å; A534-D539 VanDerWaalsContact CA-OD2 3.3Å; A534-D539 WeakPolarHBondContact CA-OD2 3.29Å; A534-D539 HydrophobicContact CB-CB 3.87Å; A534-Y540 HydrophobicContact CB-CD1 4.25Å; A534-Y540 HydrophobicContact CB-CE1 4.35Å; A534-E572 HydrophobicContact CB-CB 3.95Å; A534-N573 WeakPolarHBondContact CB-O 3.49Å; A534-N573 PolarHBondContact N-O 2.92Å; A534-F574 HydrophobicContact CB-CB 4.24Å; A534-F574 HydrophobicContact CB-CD1 4.49Å; A534-I632 HydrophobicContact CB-CD1 4.27Å
535	M	86	Confident	89	Confident	103 Å²	103	51 Å²	51	51%	0.507	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-101.3	132.5	-176.9	-68.7	-69.5	-76	0	0	111.8	G537 E538 D539	M535-G537 PolarHBondContact O-N 3.4Å; M535-E538 HydrophobicContact CB-CB 4.49Å; M535-E538 PolarHBondContact O-N 2.91Å; M535-D539 PolarHBondContact N-OD2 3.35Å; M535-D539 PolarHBondContact O-N 2.97Å
536	A	86.3	Confident	89	Confident	40 Å²	40	56.8 Å²	56.8	33%	0.331	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-64.5	130.9	176	0	0	0	0	0	111.7	E538 Y540 E542	A536-E538 VanDerWaalsContact C-N 3.34Å; A536-Y540 CarbonylContact C-O 3.52Å; A536-Y540 WeakPolarHBondContact CA-O 3.46Å; A536-Y540 HydrophobicContact CB-CE1 4.25Å; A536-Y540 HydrophobicContact CB-CE2 4.08Å; A536-E542 HydrophobicContact CB-CB 4.22Å
537	G	81.4	Confident	88.9	Confident	57 Å²	57	56.9 Å²	56.9	59%	0.588	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-14.7	-177.3	0	0	0	0	0	114.8	M535 Y540	M535-G537 PolarHBondContact O-N 3.4Å; G537-Y540 PolarHBondContact N-O 3.48Å
538	E	81.8	Confident	88.7	Confident	133 Å²	133	60.7 Å²	60.7	62%	0.621	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-51.7	171.9	-67.6	-174.5	160.4	0	0	110.4	M535 A536 I563	M535-E538 HydrophobicContact CB-CB 4.49Å; M535-E538 PolarHBondContact O-N 2.91Å; A536-E538 VanDerWaalsContact C-N 3.34Å; E538-I563 WeakPolarHBondContact O-CB 3.24Å; E538-I563 WeakPolarHBondContact O-CG2 3.42Å
539	D	84.6	Confident	88.4	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.043	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-29.1	-173.7	-51	-51.2	0	0	0	113.4	A534 M535 I563 K570 I632	A534-D539 VanDerWaalsContact CA-OD2 3.3Å; A534-D539 WeakPolarHBondContact CA-OD2 3.29Å; A534-D539 HydrophobicContact CB-CB 3.87Å; M535-D539 PolarHBondContact N-OD2 3.35Å; M535-D539 PolarHBondContact O-N 2.97Å; D539-I563 PolarHBondContact O-N 3.28Å; D539-K570 IonicContact OD1-NZ 3.54Å; D539-K570 PolarHBondContact OD1-NZ 3Å; D539-I632 HydrophobicContact CB-CD1 4.28Å
540	Y	89.9	Confident	88	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-150.3	154.8	177.5	71.8	-82.7	0	0	0	111	T529 S531 A534 A536 G537 V560 R561 F574	T529-Y540 HydrophobicContact CG2-CE2 4.24Å; S531-Y540 WeakPolarHBondContact CA-OH 3.49Å; S531-Y540 PolarHBondContact N-OH 3.36Å; S531-Y540 PolarHBondContact OG-OH 2.94Å; A534-Y540 HydrophobicContact CB-CD1 4.25Å; A534-Y540 HydrophobicContact CB-CE1 4.35Å; A536-Y540 CarbonylContact C-O 3.52Å; A536-Y540 WeakPolarHBondContact CA-O 3.46Å; A536-Y540 HydrophobicContact CB-CE1 4.25Å; A536-Y540 HydrophobicContact CB-CE2 4.08Å; G537-Y540 PolarHBondContact N-O 3.48Å; Y540-V560 HydrophobicContact CD2-CG1 4.37Å; Y540-R561 WeakPolarHBondContact CA-O 3.38Å; Y540-F574 HydrophobicContact CD1-CB 4.1Å; Y540-F574 AromaticContact CD1-CD1 3.99Å; Y540-F574 HydrophobicContact CD1-CD1 3.99Å; Y540-F574 HydrophobicContact CD1-CD2 4.34Å; Y540-F574 AromaticContact CD1-CG 3.89Å; Y540-F574 HydrophobicContact CD1-CG 3.89Å; Y540-F574 HydrophobicContact CD2-CD2 4.11Å; Y540-F574 HydrophobicContact CD2-CE2 4.16Å; Y540-F574 HydrophobicContact CD2-CG 4.47Å; Y540-F574 HydrophobicContact CE1-CB 3.55Å; Y540-F574 HydrophobicContact CE1-CD1 4.32Å; Y540-F574 HydrophobicContact CE1-CD2 4.17Å; Y540-F574 AromaticContact CE1-CG 3.77Å; Y540-F574 HydrophobicContact CE1-CG 3.77Å; Y540-F574 AromaticContact CE2-CD2 3.94Å; Y540-F574 HydrophobicContact CE2-CD2 3.94Å; Y540-F574 HydrophobicContact CE2-CE2 4.36Å; Y540-F574 HydrophobicContact CE2-CG 4.37Å; Y540-F574 HydrophobicContact CG-CD1 4.29Å; Y540-F574 HydrophobicContact CG-CD2 4.31Å; Y540-F574 HydrophobicContact CG-CE1 4.4Å; Y540-F574 HydrophobicContact CG-CE2 4.42Å; Y540-F574 HydrophobicContact CG-CG 4.25Å; Y540-F574 HydrophobicContact CG-CZ 4.46Å; Y540-F574 AromaticContact CZ-CD2 3.96Å
541	E	90.3	Very high	87.5	Confident	86 Å²	86	62.3 Å²	62.3	40%	0.402	35%	0.348	S	S	.	.			trans	-82.7	130.5	174	-67.1	-177.1	179.3	0	0	110.7	A543 R561 I563	E541-A543 PolarHBondContact O-N 2.95Å; E541-R561 HydrophobicContact CB-CB 4.19Å; E541-R561 VanDerWaalsContact CD-CD 3.45Å; E541-R561 HydrophobicContact CG-CB 4.22Å; E541-R561 PolarHBondContact N-O 3.37Å; E541-R561 WeakPolarHBondContact OE1-CD 3.2Å; E541-R561 IonicContact OE1-CZ 3.44Å; E541-R561 IonicContact OE1-NE 3.56Å; E541-R561 IonicContact OE1-NH1 2.79Å; E541-R561 PolarHBondContact OE1-NH1 3.29Å; E541-R561 WeakPolarHBondContact OE2-CD 3.38Å; E541-R561 IonicContact OE2-NH1 2.72Å; E541-I563 HydrophobicContact CG-CD1 4.04Å; E541-I563 HydrophobicContact CG-CG1 4.28Å
542	E	90.3	Very high	86.9	Confident	111 Å²	111	64.5 Å²	64.5	52%	0.519	36%	0.355	S	S	.	.			trans	-60.2	124.9	178.6	-170.8	-179.4	-176.1	0	0	110.9	A536 R544	A536-E542 HydrophobicContact CB-CB 4.22Å; E542-R544 IonicContact OE1-CZ 3.72Å; E542-R544 IonicContact OE1-NE 3.89Å; E542-R544 PolarHBondContact OE1-NE 3.22Å; E542-R544 IonicContact OE1-NH2 3.67Å; E542-R544 PolarHBondContact OE1-NH2 3.42Å
543	A	89.5	Confident	86.7	Confident	14 Å²	14	64.8 Å²	64.8	12%	0.116	35%	0.347	C	S	.	.			trans	-117.3	129.1	179.6	0	0	0	0	0	111	Y527 H528 T529 E541 V560	Y527-A543 HydrophobicContact CE2-CB 4.4Å; H528-A543 WeakPolarHBondContact CA-O 3.49Å; T529-A543 HydrophobicContact CG2-CB 3.88Å; T529-A543 PolarHBondContact N-O 3.14Å; T529-A543 PolarHBondContact OG1-N 3.49Å; T529-A543 VanDerWaalsContact OG1-N 3.12Å; T529-A543 PolarHBondContact OG1-O 2.86Å; E541-A543 PolarHBondContact O-N 2.95Å; A543-V560 HydrophobicContact CB-CG2 4.03Å
544	R	91.8	Very high	86.5	Confident	176 Å²	176	64.4 Å²	64.4	66%	0.664	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	135	173.2	-58.4	-170.7	-174.6	-150.6	-0.9	109.7	Y527 H528 E542	Y527-R544 WeakPolarHBondContact O-CA 3.03Å; H528-R544 HydrophobicContact CB-CG 3.86Å; E542-R544 IonicContact OE1-CZ 3.72Å; E542-R544 IonicContact OE1-NE 3.89Å; E542-R544 PolarHBondContact OE1-NE 3.22Å; E542-R544 IonicContact OE1-NH2 3.67Å; E542-R544 PolarHBondContact OE1-NH2 3.42Å
545	G	89.8	Confident	86.6	Confident	28 Å²	28	68 Å²	68	29%	0.289	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	-178.1	-176.7	0	0	0	0	0	113.8	P526 Y527	P526-G545 WeakPolarHBondContact CA-O 3.31Å; Y527-G545 WeakPolarHBondContact CD1-O 3.2Å; Y527-G545 PolarHBondContact N-O 3.05Å; Y527-G545 PolarHBondContact O-N 3.17Å
546	E	91.4	Very high	86.7	Confident	122 Å²	122	66.2 Å²	66.2	57%	0.57	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.5	174.4	-68.8	-175.3	169	0	0	108.3	V524 P526 R582	V524-E546 HydrophobicContact CG1-CB 3.96Å; V524-E546 HydrophobicContact CG1-CG 4.25Å; P526-E546 HydrophobicContact CB-CG 4.12Å; P526-E546 HydrophobicContact CG-CG 4.31Å; E546-R582 IonicContact OE1-NH1 3.38Å
547	L	90.5	Very high	86.9	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.052	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.9	174.4	-59.7	176.8	0	0	0	109.1	V513 V524 L525 Y527 F549 Q556 L558	V513-L547 HydrophobicContact CB-CD1 4.17Å; V513-L547 HydrophobicContact CG2-CD1 3.74Å; V524-L547 CarbonylContact C-O 3.49Å; V524-L547 WeakPolarHBondContact CA-O 3.16Å; L525-L547 HydrophobicContact CB-CB 4.38Å; L525-L547 PolarHBondContact N-O 2.84Å; L525-L547 PolarHBondContact O-N 3.48Å; Y527-L547 HydrophobicContact CD1-CD1 4.29Å; Y527-L547 HydrophobicContact CD1-CD2 4.22Å; Y527-L547 HydrophobicContact CD1-CG 3.81Å; Y527-L547 HydrophobicContact CE1-CD2 3.8Å; Y527-L547 HydrophobicContact CE1-CG 3.92Å; L547-F549 HydrophobicContact CB-CD2 4.43Å; L547-F549 HydrophobicContact CB-CE2 4Å; L547-Q556 HydrophobicContact CB-CG 4.34Å; L547-Q556 HydrophobicContact CD2-CG 3.97Å; L547-L558 HydrophobicContact CD1-CD2 4.24Å; L547-L558 HydrophobicContact CD2-CB 4.22Å
548	E	90.1	Very high	87.3	Confident	113 Å²	113	64.8 Å²	64.8	53%	0.528	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.1	175.6	-174.2	175.9	-176.6	0	0	109.9	T522 V524	T522-E548 HydrophobicContact CG2-CG 4.13Å; V524-E548 HydrophobicContact CG2-CB 4.11Å; V524-E548 HydrophobicContact CG2-CG 4.06Å
549	F	88.9	Confident	87.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.2	171.7	-73	-101.9	0	0	0	109.3	F493 V513 R515 T522 V523 L525 L547 Q553 Q556	F493-F549 HydrophobicContact CD1-CD2 4.04Å; F493-F549 HydrophobicContact CD1-CE1 4.43Å; F493-F549 AromaticContact CD1-CE2 3.79Å; F493-F549 HydrophobicContact CD1-CE2 3.79Å; F493-F549 HydrophobicContact CD1-CG 4.46Å; F493-F549 AromaticContact CD1-CZ 4Å; F493-F549 HydrophobicContact CD1-CZ 4Å; F493-F549 HydrophobicContact CE1-CB 4.16Å; F493-F549 AromaticContact CE1-CD1 3.96Å; F493-F549 HydrophobicContact CE1-CD1 3.96Å; F493-F549 AromaticContact CE1-CD2 3.5Å; F493-F549 HydrophobicContact CE1-CD2 3.5Å; F493-F549 HydrophobicContact CE1-CE1 4.17Å; F493-F549 AromaticContact CE1-CE2 3.74Å; F493-F549 HydrophobicContact CE1-CE2 3.74Å; F493-F549 AromaticContact CE1-CG 3.62Å; F493-F549 HydrophobicContact CE1-CG 3.62Å; F493-F549 HydrophobicContact CE1-CZ 4.07Å; F493-F549 HydrophobicContact CZ-CG 4.48Å; V513-F549 HydrophobicContact CB-CZ 4.28Å; V513-F549 HydrophobicContact CG1-CZ 4.1Å; R515-F549 HydrophobicContact CB-CD1 4.15Å; R515-F549 HydrophobicContact CB-CE1 4Å; T522-F549 CarbonylContact C-O 3.59Å; T522-F549 VanDerWaalsContact CA-O 3.25Å; T522-F549 WeakPolarHBondContact CA-O 3.26Å; T522-F549 WeakPolarHBondContact CG2-O 3.44Å; V523-F549 PolarHBondContact N-O 3.4Å; V523-F549 PolarHBondContact O-N 2.82Å; L525-F549 HydrophobicContact CB-CE2 4.48Å; L525-F549 HydrophobicContact CD2-CE2 4.25Å; L547-F549 HydrophobicContact CB-CD2 4.43Å; L547-F549 HydrophobicContact CB-CE2 4Å; F549-Q553 HydrophobicContact CD1-CG 4.27Å; F549-Q556 HydrophobicContact CD1-CB 4.41Å; F549-Q556 HydrophobicContact CE1-CB 3.76Å; F549-Q556 HydrophobicContact CE2-CB 4.02Å; F549-Q556 HydrophobicContact CZ-CB 3.53Å
550	T	85.9	Confident	88.1	Confident	68 Å²	68	63.6 Å²	63.6	42%	0.417	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-77.3	173.4	174.5	57.9	0	0	0	0	111.9	R515 D552 Q553	R515-T550 PolarHBondContact NH1-O 2.96Å; R515-T550 VanDerWaalsContact NH1-O 3.09Å; T550-D552 PolarHBondContact O-N 3.31Å; T550-Q553 WeakPolarHBondContact O-CB 2.86Å; T550-Q553 PolarHBondContact O-N 3.38Å; T550-Q553 PolarHBondContact OG1-OE1 2.93Å
551	N	80.4	Confident	88.1	Confident	78 Å²	78	70 Å²	70	42%	0.417	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	137.6	174.6	-162.4	76.9	0	0	0	109	G521 Q553	G521-N551 WeakPolarHBondContact CA-OD1 3.2Å; G521-N551 PolarHBondContact N-OD1 3.09Å; N551-Q553 PolarHBondContact O-N 3.14Å
552	D	77.7	Confident	88	Confident	108 Å²	108	66.1 Å²	66.1	58%	0.578	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	10.4	-179.3	-43.4	-41.2	0	0	0	114.5	A519 T550	A519-D552 PolarHBondContact O-N 3.35Å; T550-D552 PolarHBondContact O-N 3.31Å
553	Q	82.4	Confident	87.8	Confident	41 Å²	41	63.2 Å²	63.2	19%	0.192	32%	0.318	C	S	.	.			trans	-92.3	119.3	173.8	-171.5	177.4	-2.1	0	0	110.8	R515 F549 T550 N551 T555	R515-Q553 VanDerWaalsContact CD-O 3.22Å; R515-Q553 WeakPolarHBondContact CD-O 3.23Å; R515-Q553 PolarHBondContact NH1-O 3.2Å; F549-Q553 HydrophobicContact CD1-CG 4.27Å; T550-Q553 WeakPolarHBondContact O-CB 2.86Å; T550-Q553 PolarHBondContact O-N 3.38Å; T550-Q553 PolarHBondContact OG1-OE1 2.93Å; N551-Q553 PolarHBondContact O-N 3.14Å; Q553-T555 PolarHBondContact NE2-O 3.34Å
554	T	81.9	Confident	87.3	Confident	56 Å²	56	67.7 Å²	67.7	34%	0.344	34%	0.34	S	S	.	.			trans	-103.9	-18.2	-175	53.4	0	0	0	0	114	R515 A519	R515-T554 WeakPolarHBondContact CB-O 3.35Å; R515-T554 PolarHBondContact N-O 3.4Å; A519-T554 HydrophobicContact CB-CG2 4.12Å
555	T	87.6	Confident	86.2	Confident	74 Å²	74	61 Å²	61	45%	0.454	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.2	-179.4	61.5	0	0	0	0	112.3	V513 V514 Q553	V513-T555 WeakPolarHBondContact O-CA 3.3Å; V514-T555 HydrophobicContact CG1-CG2 4.22Å; Q553-T555 PolarHBondContact NE2-O 3.34Å
556	Q	89.3	Confident	84.7	Confident	66 Å²	66	67.5 Å²	67.5	31%	0.308	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	142.1	170.2	-174	65.7	-3.4	0	0	110.3	V513 L547 F549	V513-Q556 PolarHBondContact N-O 3.46Å; V513-Q556 PolarHBondContact O-N 3.47Å; L547-Q556 HydrophobicContact CB-CG 4.34Å; L547-Q556 HydrophobicContact CD2-CG 3.97Å; F549-Q556 HydrophobicContact CD1-CB 4.41Å; F549-Q556 HydrophobicContact CE1-CB 3.76Å; F549-Q556 HydrophobicContact CE2-CB 4.02Å; F549-Q556 HydrophobicContact CZ-CB 3.53Å
557	T	90	Very high	83	Confident	63 Å²	63	68.3 Å²	68.3	39%	0.387	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	146.3	178.5	56	0	0	0	0	111.9	V511 T512	V511-T557 CarbonylContact O-C 3.56Å; V511-T557 WeakPolarHBondContact O-CA 3.26Å; T512-T557 HydrophobicContact CG2-CG2 4.27Å
558	L	90.4	Very high	81	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.021	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.6	168.6	69.5	88.5	0	0	0	109.5	F495 E510 V511 V513 Y527 L547 V560 I576	F495-L558 HydrophobicContact CE1-CD2 4.36Å; E510-L558 WeakPolarHBondContact CA-O 3.3Å; V511-L558 HydrophobicContact CB-CD1 3.89Å; V511-L558 HydrophobicContact CB-CG 3.96Å; V511-L558 HydrophobicContact CG1-CG 4.45Å; V511-L558 HydrophobicContact CG2-CD1 4.38Å; V511-L558 PolarHBondContact N-O 3.21Å; V511-L558 PolarHBondContact O-N 3.4Å; V513-L558 HydrophobicContact CG2-CD2 4.13Å; Y527-L558 HydrophobicContact CD1-CD2 4.39Å; Y527-L558 HydrophobicContact CD2-CD2 3.96Å; Y527-L558 HydrophobicContact CE1-CB 4.31Å; Y527-L558 HydrophobicContact CE2-CB 4.27Å; Y527-L558 HydrophobicContact CE2-CD1 4.17Å; Y527-L558 HydrophobicContact CE2-CD2 4.13Å; Y527-L558 HydrophobicContact CE2-CG 4.43Å; Y527-L558 HydrophobicContact CG-CD2 4.09Å; L547-L558 HydrophobicContact CD1-CD2 4.24Å; L547-L558 HydrophobicContact CD2-CB 4.22Å; L558-V560 HydrophobicContact CD1-CG2 3.7Å; L558-I576 HydrophobicContact CD1-CD1 4.25Å; L558-I576 HydrophobicContact CD2-CG2 4.44Å
559	Q	90.1	Very high	79.3	Confident	114 Å²	114	73 Å²	73	53%	0.533	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132	-178.2	-66.8	-177.5	-11.6	0	0	110.4	T508 M509 E510	T508-Q559 HydrophobicContact CG2-CB 4.02Å; T508-Q559 HydrophobicContact CG2-CG 4.39Å; M509-Q559 WeakPolarHBondContact O-CA 3.33Å; E510-Q559 HydrophobicContact CG-CG 4.23Å; E510-Q559 PolarHBondContact OE1-NE2 3.28Å
560	V	91.6	Very high	78	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.5	172.8	-177.3	0	0	0	0	108.8	M509 T529 Y540 A543 L558 F574 I576	M509-V560 HydrophobicContact CG-CB 3.99Å; M509-V560 PolarHBondContact N-O 3.12Å; M509-V560 PolarHBondContact O-N 3.3Å; M509-V560 HydrophobicContact SD-CB 4.43Å; T529-V560 HydrophobicContact CG2-CG2 4.39Å; Y540-V560 HydrophobicContact CD2-CG1 4.37Å; A543-V560 HydrophobicContact CB-CG2 4.03Å; L558-V560 HydrophobicContact CD1-CG2 3.7Å; V560-F574 HydrophobicContact CG1-CE2 4.28Å; V560-F574 HydrophobicContact CG1-CZ 4.25Å; V560-I576 HydrophobicContact CG2-CD1 3.87Å
561	R	89.6	Confident	77.2	Confident	135 Å²	135	77.1 Å²	77.1	51%	0.509	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.5	-179.1	-159.7	-176.9	-179.6	-164.3	-0.2	110.4	G507 Y540 E541	G507-R561 WeakPolarHBondContact O-CA 3.45Å; G507-R561 WeakPolarHBondContact O-CG 3.34Å; Y540-R561 WeakPolarHBondContact CA-O 3.38Å; E541-R561 HydrophobicContact CB-CB 4.19Å; E541-R561 VanDerWaalsContact CD-CD 3.45Å; E541-R561 HydrophobicContact CG-CB 4.22Å; E541-R561 PolarHBondContact N-O 3.37Å; E541-R561 WeakPolarHBondContact OE1-CD 3.2Å; E541-R561 IonicContact OE1-CZ 3.44Å; E541-R561 IonicContact OE1-NE 3.56Å; E541-R561 IonicContact OE1-NH1 2.79Å; E541-R561 PolarHBondContact OE1-NH1 3.29Å; E541-R561 WeakPolarHBondContact OE2-CD 3.38Å; E541-R561 IonicContact OE2-NH1 2.72Å
562	I	90.1	Very high	77.5	Confident	5 Å²	5	75.4 Å²	75.4	3%	0.026	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-95.8	135.1	173.5	-63.3	-53.4	0	0	0	108.8	V502 G507 M509 F574 I632	V502-I562 HydrophobicContact CG2-CG1 4.47Å; G507-I562 PolarHBondContact O-N 3.4Å; M509-I562 HydrophobicContact CE-CD1 3.16Å; M509-I562 HydrophobicContact CE-CG1 3.23Å; I562-F574 HydrophobicContact CD1-CE1 3.82Å; I562-F574 HydrophobicContact CD1-CZ 4.03Å; I562-I632 HydrophobicContact CD1-CD1 4.19Å; I562-I632 HydrophobicContact CG2-CD1 4.5Å
563	I	85.6	Confident	78.1	Confident	51 Å²	51	71.9 Å²	71.9	26%	0.262	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-97.5	124.1	179.5	-58.2	174.3	0	0	0	107.3	E538 D539 E541	E538-I563 WeakPolarHBondContact O-CB 3.24Å; E538-I563 WeakPolarHBondContact O-CG2 3.42Å; D539-I563 PolarHBondContact O-N 3.28Å; E541-I563 HydrophobicContact CG-CD1 4.04Å; E541-I563 HydrophobicContact CG-CG1 4.28Å
564	D	78.5	Confident	78.7	Confident	107 Å²	107	70 Å²	70	57%	0.572	34%	0.338	S	S	*	.			trans	-81.5	112	171.1	-176.3	-1.6	0	0	0	108
565	D	69.1	Low	79.2	Confident	36 Å²	36	68.5 Å²	68.5	19%	0.193	33%	0.327	C	S	.	.			trans	-116.3	148.5	178.4	82.3	-39.2	0	0	0	112.1	E567 K570	D565-E567 PolarHBondContact O-N 2.87Å; D565-K570 WeakPolarHBondContact OD1-CE 3.3Å; D565-K570 IonicContact OD1-NZ 3.87Å; D565-K570 PolarHBondContact OD1-NZ 3.29Å; D565-K570 IonicContact OD2-NZ 3.83Å; D565-K570 PolarHBondContact OD2-NZ 3.25Å
566	E	57.4	Low	79.5	Confident	165 Å²	165	65 Å²	65	77%	0.771	31%	0.305	S	S	*	.			trans	-81	19.1	-165.3	-62.5	-172.5	161.7	0	0	114.9
567	E	55.2	Low	79.7	Confident	139 Å²	139	63 Å²	63	65%	0.65	30%	0.297	S	S	*	.			trans	-82.6	155.4	-179.7	-67.6	-158.8	163.9	0	0	112.7	D565	D565-E567 PolarHBondContact O-N 2.87Å
568	Y	49.5	Very low	79.8	Confident	92 Å²	92	60.2 Å²	60.2	36%	0.361	28%	0.28	S	S	.	.	S	Bend	trans	-106.9	130.1	-168.4	-178.8	-102.2	0	0	0	111.7	I281	I281-Y568 HydrophobicContact CD1-CD2 4.5Å; I281-Y568 HydrophobicContact CD1-CE2 3.53Å
569	E	55.1	Low	79.8	Confident	129 Å²	129	64.1 Å²	64.1	60%	0.603	30%	0.298	S	S	*	.			trans	65.1	72.3	-179.4	-70.9	172.5	-176	0	0	114.6
570	K	60.6	Low	79.7	Confident	18 Å²	18	66.4 Å²	66.4	8%	0.078	31%	0.309	C	S	.	.			trans	-93.6	123.9	171.6	-74.6	-173.5	163.6	-172.8	0	112.3	D539 D565 E572	D539-K570 IonicContact OD1-NZ 3.54Å; D539-K570 PolarHBondContact OD1-NZ 3Å; D565-K570 WeakPolarHBondContact OD1-CE 3.3Å; D565-K570 IonicContact OD1-NZ 3.87Å; D565-K570 PolarHBondContact OD1-NZ 3.29Å; D565-K570 IonicContact OD2-NZ 3.83Å; D565-K570 PolarHBondContact OD2-NZ 3.25Å; K570-E572 HydrophobicContact CB-CG 4.11Å; K570-E572 HydrophobicContact CD-CG 4.44Å; K570-E572 WeakPolarHBondContact CD-OE2 3.47Å; K570-E572 VanDerWaalsContact CE-OE1 3.26Å; K570-E572 WeakPolarHBondContact CE-OE1 3.2Å; K570-E572 WeakPolarHBondContact CE-OE2 3.41Å; K570-E572 HydrophobicContact CG-CG 4.21Å; K570-E572 IonicContact NZ-OE1 3.61Å; K570-E572 IonicContact NZ-OE2 3.16Å; K570-E572 PolarHBondContact NZ-OE2 3.25Å
571	H	70.3	Confident	79.5	Confident	137 Å²	137	67.4 Å²	67.4	63%	0.634	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	84.8	158.9	-175.9	70	0	0	0	106.3	V631	H571-V631 VanDerWaalsContact CE1-CG1 3.45Å; H571-V631 WeakPolarHBondContact CE1-CG1 3.34Å
572	E	85.7	Confident	79.3	Confident	41 Å²	41	67.9 Å²	67.9	19%	0.192	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.8	-171	-61.4	-179.5	165.9	0	0	110.1	S533 A534 K570 V631 I632	S533-E572 WeakPolarHBondContact OG-CA 3.19Å; A534-E572 HydrophobicContact CB-CB 3.95Å; K570-E572 HydrophobicContact CB-CG 4.11Å; K570-E572 HydrophobicContact CD-CG 4.44Å; K570-E572 WeakPolarHBondContact CD-OE2 3.47Å; K570-E572 VanDerWaalsContact CE-OE1 3.26Å; K570-E572 WeakPolarHBondContact CE-OE1 3.2Å; K570-E572 WeakPolarHBondContact CE-OE2 3.41Å; K570-E572 HydrophobicContact CG-CG 4.21Å; K570-E572 IonicContact NZ-OE1 3.61Å; K570-E572 IonicContact NZ-OE2 3.16Å; K570-E572 PolarHBondContact NZ-OE2 3.25Å; E572-V631 CarbonylContact O-C 3.43Å; E572-V631 WeakPolarHBondContact O-CA 3.27Å; E572-I632 PolarHBondContact N-O 2.78Å; E572-I632 PolarHBondContact O-N 3.33Å
573	N	91.4	Very high	78.9	Confident	35 Å²	35	71.4 Å²	71.4	19%	0.187	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.9	-177.2	69.3	-13.9	0	0	0	112.5	G532 S533 A534 E629 V630 V631	G532-N573 CarbonylContact C-O 3.6Å; G532-N573 WeakPolarHBondContact CA-O 3.44Å; G532-N573 PolarHBondContact N-O 2.61Å; S533-N573 PolarHBondContact N-O 2.92Å; S533-N573 PolarHBondContact N-OD1 3.46Å; S533-N573 VanDerWaalsContact N-OD1 3.09Å; S533-N573 PolarHBondContact OG-N 2.66Å; S533-N573 PolarHBondContact OG-OD1 3.48Å; A534-N573 WeakPolarHBondContact CB-O 3.49Å; A534-N573 PolarHBondContact N-O 2.92Å; N573-E629 HydrophobicContact CB-CG 4.42Å; N573-E629 PolarHBondContact ND2-OE1 3.4Å; N573-V630 CarbonylContact C-O 3.57Å; N573-V630 WeakPolarHBondContact CA-O 3.35Å; N573-V630 WeakPolarHBondContact CB-O 3.26Å; N573-V631 HydrophobicContact CB-CG2 4.15Å
574	F	93.7	Very high	78.1	Confident	0 Å²	0	74 Å²	74	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	172.8	167.6	71.6	-80.8	0	0	0	109.7	M509 T529 A534 Y540 V560 I562 I576 V630 I632	M509-F574 HydrophobicContact CE-CE1 4Å; M509-F574 HydrophobicContact CE-CZ 3.61Å; M509-F574 HydrophobicContact SD-CZ 4.19Å; T529-F574 HydrophobicContact CG2-CE2 4.48Å; A534-F574 HydrophobicContact CB-CB 4.24Å; A534-F574 HydrophobicContact CB-CD1 4.49Å; Y540-F574 HydrophobicContact CD1-CB 4.1Å; Y540-F574 AromaticContact CD1-CD1 3.99Å; Y540-F574 HydrophobicContact CD1-CD1 3.99Å; Y540-F574 HydrophobicContact CD1-CD2 4.34Å; Y540-F574 AromaticContact CD1-CG 3.89Å; Y540-F574 HydrophobicContact CD1-CG 3.89Å; Y540-F574 HydrophobicContact CD2-CD2 4.11Å; Y540-F574 HydrophobicContact CD2-CE2 4.16Å; Y540-F574 HydrophobicContact CD2-CG 4.47Å; Y540-F574 HydrophobicContact CE1-CB 3.55Å; Y540-F574 HydrophobicContact CE1-CD1 4.32Å; Y540-F574 HydrophobicContact CE1-CD2 4.17Å; Y540-F574 AromaticContact CE1-CG 3.77Å; Y540-F574 HydrophobicContact CE1-CG 3.77Å; Y540-F574 AromaticContact CE2-CD2 3.94Å; Y540-F574 HydrophobicContact CE2-CD2 3.94Å; Y540-F574 HydrophobicContact CE2-CE2 4.36Å; Y540-F574 HydrophobicContact CE2-CG 4.37Å; Y540-F574 HydrophobicContact CG-CD1 4.29Å; Y540-F574 HydrophobicContact CG-CD2 4.31Å; Y540-F574 HydrophobicContact CG-CE1 4.4Å; Y540-F574 HydrophobicContact CG-CE2 4.42Å; Y540-F574 HydrophobicContact CG-CG 4.25Å; Y540-F574 HydrophobicContact CG-CZ 4.46Å; Y540-F574 AromaticContact CZ-CD2 3.96Å; V560-F574 HydrophobicContact CG1-CE2 4.28Å; V560-F574 HydrophobicContact CG1-CZ 4.25Å; I562-F574 HydrophobicContact CD1-CE1 3.82Å; I562-F574 HydrophobicContact CD1-CZ 4.03Å; F574-I576 HydrophobicContact CD2-CG1 4.42Å; F574-I576 HydrophobicContact CE2-CD1 4.15Å; F574-I576 HydrophobicContact CE2-CG1 3.87Å; F574-V630 HydrophobicContact CD1-CB 3.97Å; F574-V630 HydrophobicContact CD1-CG1 4.28Å; F574-V630 HydrophobicContact CE1-CB 3.51Å; F574-V630 HydrophobicContact CE1-CG1 3.47Å; F574-V630 VanDerWaalsContact CE1-CG1 3.47Å; F574-V630 HydrophobicContact CE1-CG2 4.29Å; F574-V630 HydrophobicContact CE2-CB 4.19Å; F574-V630 HydrophobicContact CE2-CG2 4.16Å; F574-V630 HydrophobicContact CG-CB 4.47Å; F574-V630 HydrophobicContact CZ-CB 3.64Å; F574-V630 HydrophobicContact CZ-CG1 3.75Å; F574-V630 HydrophobicContact CZ-CG2 3.89Å; F574-V630 PolarHBondContact N-O 3.49Å; F574-V630 PolarHBondContact O-N 2.95Å; F574-I632 HydrophobicContact CD1-CD1 4.24Å; F574-I632 HydrophobicContact CD1-CG1 4.48Å; F574-I632 HydrophobicContact CE1-CD1 4.23Å; F574-I632 HydrophobicContact CE1-CG1 4.32Å
575	F	93.4	Very high	77.3	Confident	26 Å²	26	76.2 Å²	76.2	11%	0.114	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.2	-175.8	-57.1	-86.6	0	0	0	112	T529 E530 R627 L628 E629	T529-F575 CarbonylContact C-O 3.54Å; T529-F575 WeakPolarHBondContact CA-O 3.4Å; E530-F575 HydrophobicContact CB-CB 4.32Å; E530-F575 PolarHBondContact N-O 3.25Å; E530-F575 PolarHBondContact O-N 3.32Å; F575-R627 HydrophobicContact CB-CG 4.39Å; F575-R627 HydrophobicContact CD1-CG 4.21Å; F575-R627 VanDerWaalsContact CD1-NH2 3.35Å; F575-R627 VanDerWaalsContact CG-CZ 3.49Å; F575-L628 CarbonylContact C-O 3.55Å; F575-L628 VanDerWaalsContact CA-O 3.23Å; F575-L628 WeakPolarHBondContact CA-O 3.38Å; F575-E629 HydrophobicContact CD1-CB 3.94Å; F575-E629 HydrophobicContact CD1-CG 4.18Å; F575-E629 HydrophobicContact CE1-CB 3.77Å; F575-E629 HydrophobicContact CE1-CG 3.67Å; F575-E629 HydrophobicContact CZ-CG 4.32Å
576	I	93.3	Very high	76.7	Confident	0 Å²	0	81 Å²	81	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.5	169.2	-48.4	-176.3	0	0	0	107.6	F495 V511 Y527 T529 L558 V560 F574 R627 L628 V630	F495-I576 HydrophobicContact CE1-CG2 4.49Å; F495-I576 WeakPolarHBondContact CE2-O 3.32Å; F495-I576 HydrophobicContact CZ-CB 4.22Å; F495-I576 HydrophobicContact CZ-CG2 3.91Å; V511-I576 HydrophobicContact CG2-CD1 3.99Å; Y527-I576 HydrophobicContact CD2-CG2 4.49Å; T529-I576 HydrophobicContact CG2-CG1 4.31Å; L558-I576 HydrophobicContact CD1-CD1 4.25Å; L558-I576 HydrophobicContact CD2-CG2 4.44Å; V560-I576 HydrophobicContact CG2-CD1 3.87Å; F574-I576 HydrophobicContact CD2-CG1 4.42Å; F574-I576 HydrophobicContact CE2-CD1 4.15Å; F574-I576 HydrophobicContact CE2-CG1 3.87Å; I576-R627 CarbonylContact O-C 3.6Å; I576-R627 WeakPolarHBondContact O-CA 3.36Å; I576-L628 HydrophobicContact CB-CB 4.37Å; I576-L628 HydrophobicContact CD1-CD2 4.33Å; I576-L628 PolarHBondContact N-O 3.48Å; I576-L628 PolarHBondContact O-N 3.45Å; I576-V630 HydrophobicContact CD1-CG2 4.14Å; I576-V630 HydrophobicContact CG1-CG2 4.25Å
577	V	93.4	Very high	76.3	Confident	23 Å²	23	77.1 Å²	77.1	14%	0.139	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.9	-173.3	-176.4	0	0	0	0	110.2	Y527 H528 E530 R627	Y527-V577 VanDerWaalsContact CA-O 3.3Å; Y527-V577 WeakPolarHBondContact CA-O 3.42Å; H528-V577 PolarHBondContact N-O 2.7Å; H528-V577 VanDerWaalsContact N-O 3.08Å; H528-V577 PolarHBondContact O-N 3.48Å; E530-V577 HydrophobicContact CG-CG2 4.13Å; V577-R627 HydrophobicContact CG2-CB 4.46Å; V577-R627 HydrophobicContact CG2-CG 4.01Å
578	L	92.1	Very high	75.7	Confident	5 Å²	5	77 Å²	77	3%	0.026	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.8	170.6	-58.4	174.2	0	0	0	110	F495 V513 L525 L622 S626	F495-L578 HydrophobicContact CD2-CD1 4Å; F495-L578 HydrophobicContact CD2-CG 4.24Å; F495-L578 HydrophobicContact CE1-CD1 4.31Å; F495-L578 HydrophobicContact CE1-CD2 4.06Å; F495-L578 HydrophobicContact CE1-CG 4.21Å; F495-L578 HydrophobicContact CE2-CD1 3.8Å; F495-L578 HydrophobicContact CE2-CD2 4.18Å; F495-L578 HydrophobicContact CE2-CG 3.52Å; F495-L578 HydrophobicContact CG-CD1 4.37Å; F495-L578 HydrophobicContact CZ-CD1 3.96Å; F495-L578 HydrophobicContact CZ-CD2 3.61Å; F495-L578 HydrophobicContact CZ-CG 3.5Å; F495-L578 VanDerWaalsContact CZ-CG 3.5Å; V513-L578 HydrophobicContact CG1-CD1 4.07Å; V513-L578 HydrophobicContact CG2-CD2 4.09Å; L525-L578 HydrophobicContact CD2-CD1 4.21Å; L525-L578 HydrophobicContact CD2-CD2 3.91Å; L525-L578 HydrophobicContact CD2-CG 4.46Å; L525-L578 HydrophobicContact CG-CD2 4.37Å; L578-L622 HydrophobicContact CB-CD2 3.95Å; L578-S626 PolarHBondContact N-O 3.15Å
579	E	91	Very high	75	Confident	87 Å²	87	77.9 Å²	77.9	41%	0.407	39%	0.391	S	S	.	.			trans	-96	176.1	174.1	-59	-167.8	164.1	0	0	112.2	L525 P526 H528 L622	L525-E579 WeakPolarHBondContact CD1-O 3.36Å; P526-E579 HydrophobicContact CB-CB 4.03Å; P526-E579 HydrophobicContact CB-CG 4.34Å; P526-E579 HydrophobicContact CG-CB 4.33Å; P526-E579 PolarHBondContact O-N 2.9Å; H528-E579 IonicContact ND1-OE1 3.9Å; E579-L622 WeakPolarHBondContact O-CD2 3.3Å
580	E	87.1	Confident	74.2	Confident	162 Å²	162	79.1 Å²	79.1	76%	0.757	41%	0.407	S	S	*	.			trans	-60.7	128.7	-177.3	-67	-177.3	175	0	0	112.7
581	P	88.2	Confident	73.4	Confident	23 Å²	23	81 Å²	81	15%	0.149	43%	0.432	C	S	.	.			trans	-70.8	144.3	-179.3	26.8	-33.8	0	0	0	112.6	F493 V523 V524 L525 P620	F493-P581 HydrophobicContact CD2-CB 4.02Å; F493-P581 HydrophobicContact CD2-CG 4.18Å; F493-P581 HydrophobicContact CE2-CB 4.22Å; V523-P581 HydrophobicContact CG1-CB 3.64Å; V524-P581 WeakPolarHBondContact O-CA 3.25Å; L525-P581 HydrophobicContact CD1-CB 3.95Å; P581-P620 HydrophobicContact CB-CB 4.04Å; P581-P620 HydrophobicContact CB-CG 4.32Å; P581-P620 HydrophobicContact CG-CB 3.96Å; P581-P620 HydrophobicContact CG-CG 4.36Å
582	R	85	Confident	72	Confident	145 Å²	145	83.1 Å²	83.1	55%	0.547	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.5	-179.3	-60.9	-179.5	-176	159.6	5.8	111	V523 V524 E546	V523-R582 WeakPolarHBondContact CA-O 3.4Å; V524-R582 PolarHBondContact N-O 2.99Å; V524-R582 PolarHBondContact O-N 3.42Å; E546-R582 IonicContact OE1-NH1 3.38Å
583	W	81.8	Confident	69.7	Low	78 Å²	78	87.6 Å²	87.6	30%	0.295	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	111.1	179.7	-160.7	16.2	0	0	0	111.5	A490 R586 P620	A490-W583 HydrophobicContact CB-CH2 4.2Å; A490-W583 HydrophobicContact CB-CZ2 4.02Å; W583-R586 HydrophobicContact CD2-CG 4.06Å; W583-R586 HydrophobicContact CE3-CG 3.98Å; W583-R586 HydrophobicContact CH2-CG 3.77Å; W583-R586 HydrophobicContact CZ2-CG 3.82Å; W583-R586 HydrophobicContact CZ3-CG 3.86Å; W583-R586 VanDerWaalsContact CZ3-NE 3.27Å; W583-P620 HydrophobicContact CB-CG 3.97Å; W583-P620 HydrophobicContact CG-CG 4.44Å
584	L	69.6	Low	67.1	Low	107 Å²	107	93.4 Å²	93.4	56%	0.56	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	-31.9	-170.7	-79.5	162.3	0	0	0	114.4	T522 V524	T522-L584 PolarHBondContact O-N 3.36Å; V524-L584 HydrophobicContact CB-CD1 3.93Å; V524-L584 HydrophobicContact CG2-CD1 3.29Å; V524-L584 HydrophobicContact CG2-CG 4.48Å
585	K	61.2	Low	64.6	Low	152 Å²	152	101.6 Å²	101.6	66%	0.661	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.4	109.3	179.4	-72.3	-178.9	-176.8	168.4	0	111.3	G587	K585-G587 PolarHBondContact O-N 2.89Å
586	R	55.4	Low	61.9	Low	136 Å²	136	108.7 Å²	108.7	51%	0.513	57%	0.569	S	S	.	*			trans	-71.2	119.5	158.4	-77.9	177.7	170.3	-177.9	-8.4	107	W583 I588	W583-R586 HydrophobicContact CD2-CG 4.06Å; W583-R586 HydrophobicContact CE3-CG 3.98Å; W583-R586 HydrophobicContact CH2-CG 3.77Å; W583-R586 HydrophobicContact CZ2-CG 3.82Å; W583-R586 HydrophobicContact CZ3-CG 3.86Å; W583-R586 VanDerWaalsContact CZ3-NE 3.27Å; R586-I588 PolarHBondContact O-N 3.3Å
587	G	49	Very low	59.5	Low	85 Å²	85	117.4 Å²	117.4	88%	0.876	61%	0.609	S	S	*	*	S	Bend	trans	-67.5	43.4	176.8	0	0	0	0	0	114.4	K585	K585-G587 PolarHBondContact O-N 2.89Å
588	I	43.4	Very low	56.9	Low	137 Å²	137	125.2 Å²	125.2	70%	0.703	64%	0.644	S	S	*	*			trans	-114.9	113.9	176.2	-55.9	175.7	0	0	0	107.8	R586 V590	R586-I588 PolarHBondContact O-N 3.3Å; I588-V590 PolarHBondContact O-N 2.88Å
589	S	35.2	Very low	54.2	Low	110 Å²	110	130 Å²	130	77%	0.769	68%	0.684	S	S	*	*			trans	-52.8	130.1	173.5	-72.2	0	0	0	0	111.4	G591	S589-G591 PolarHBondContact O-N 3.47Å; S589-G591 VanDerWaalsContact O-N 3.1Å
590	V	38.1	Very low	52	Low	155 Å²	155	130.4 Å²	130.4	94%	0.939	70%	0.702	S	S	*	*	S	Bend	trans	8.2	90	149.4	-168.4	0	0	0	0	114.3	I588	I588-V590 PolarHBondContact O-N 2.88Å
591	G	42.7	Very low	50	Low	58 Å²	58	132.3 Å²	132.3	60%	0.598	71%	0.711	S	S	*	*	S	Bend	trans	-167	-30.1	173.7	0	0	0	0	0	114.9	S589	S589-G591 PolarHBondContact O-N 3.47Å; S589-G591 VanDerWaalsContact O-N 3.1Å
592	F	40.8	Very low	47.9	Very low	181 Å²	181	134.2 Å²	134.2	79%	0.794	74%	0.735	S	S	*	*	S	Bend	trans	-102.8	-3.9	-170.6	-144.1	-96.9	0	0	0	115.6	L594	F592-L594 PolarHBondContact O-N 3.36Å
593	V	37.3	Very low	46.1	Very low	134 Å²	134	137.1 Å²	137.1	81%	0.812	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	7.6	-179.6	-172.1	0	0	0	0	112.6
594	L	38.4	Very low	44.4	Very low	157 Å²	157	137.9 Å²	137.9	82%	0.822	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	9.1	179.8	-122.4	140.1	0	0	0	115.2	F592	F592-L594 PolarHBondContact O-N 3.36Å
595	F	39.8	Very low	43.9	Very low	173 Å²	173	135.5 Å²	135.5	76%	0.759	76%	0.757	S	S	*	*	S	Bend	trans	-117.1	16.7	176.8	-74.9	-73.3	0	0	0	115
596	Q	37.5	Very low	43.7	Very low	175 Å²	175	131.8 Å²	131.8	82%	0.818	75%	0.754	S	S	*	*	S	Bend	trans	-93.1	8.6	178.5	-121.5	176	-8.6	0	0	115
597	H	41.9	Very low	43.7	Very low	182 Å²	182	132.6 Å²	132.6	84%	0.843	76%	0.764	S	S	*	*	S	Bend	trans	-138.6	74.5	173.3	-113.9	-79.5	0	0	0	110.4
598	E	39.8	Very low	44	Very low	188 Å²	188	134.3 Å²	134.3	88%	0.879	75%	0.749	S	S	*	*			trans	155.2	97.3	147.6	-88.5	176.9	178.7	0	0	110.2
599	A	35.2	Very low	44.6	Very low	104 Å²	104	132.5 Å²	132.5	86%	0.86	74%	0.738	S	S	*	*			trans	-173.9	99.3	144.9	0	0	0	0	0	109.4
600	A	44.2	Very low	45.5	Very low	96 Å²	96	132.4 Å²	132.4	79%	0.793	73%	0.725	S	S	*	*			trans	-69.5	142.8	157.2	0	0	0	0	0	109.3
601	E	46.3	Very low	46.2	Very low	203 Å²	203	127.7 Å²	127.7	95%	0.949	70%	0.702	S	S	*	*	S	Bend	trans	45.4	94.5	159.7	-63.3	-174.1	164.1	0	0	117.9
602	G	43.7	Very low	46.8	Very low	63 Å²	63	132.1 Å²	132.1	65%	0.649	70%	0.701	S	S	*	*			trans	-160.5	139.1	161.2	0	0	0	0	0	111.3	L604	G602-L604 PolarHBondContact O-N 3.44Å
603	Q	46.6	Very low	47.6	Very low	205 Å²	205	129.9 Å²	129.9	96%	0.958	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-61.7	127.2	174.6	-84.2	170.7	-49.2	0	0	110.4
604	L	47.1	Very low	48.5	Very low	94 Å²	94	128.6 Å²	128.6	49%	0.492	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-72.6	146.3	178.6	-53.2	-167.7	0	0	0	110.5	G602	G602-L604 PolarHBondContact O-N 3.44Å
605	S	58.1	Low	49.4	Very low	58 Å²	58	123.5 Å²	123.5	41%	0.406	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-68.7	145.8	173	172.7	0	0	0	0	110.3	E607 E608 E609	S605-E607 PolarHBondContact O-N 3.37Å; S605-E607 PolarHBondContact OG-N 3.05Å; S605-E608 WeakPolarHBondContact O-CB 3.49Å; S605-E608 PolarHBondContact O-N 3.44Å; S605-E609 PolarHBondContact O-N 3.48Å
606	A	57	Low	50.4	Low	74 Å²	74	120 Å²	120	61%	0.612	64%	0.641	S	S	*	*	H	α-helix	trans	-55.2	-33.9	176.7	0	0	0	0	0	112.5	E610	A606-E610 WeakPolarHBondContact O-CB 3.3Å; A606-E610 PolarHBondContact O-N 3.26Å
607	E	55.1	Low	51.5	Low	153 Å²	153	118.1 Å²	118.1	72%	0.715	63%	0.634	S	S	*	*	H	α-helix	trans	-69.4	-33.7	175.9	-68.5	173.7	163.6	0	0	112.7	S605 A611	S605-E607 PolarHBondContact O-N 3.37Å; S605-E607 PolarHBondContact OG-N 3.05Å; E607-A611 VanDerWaalsContact O-CB 3.26Å; E607-A611 WeakPolarHBondContact O-CB 3.37Å; E607-A611 PolarHBondContact O-N 3.29Å
608	E	56	Low	52.6	Low	121 Å²	121	110.4 Å²	110.4	57%	0.565	60%	0.603	S	S	*	*	H	α-helix	trans	-78.4	-33.8	-179.9	-131.4	174.2	-175.4	0	0	111.3	S605 R612	S605-E608 WeakPolarHBondContact O-CB 3.49Å; S605-E608 PolarHBondContact O-N 3.44Å; E608-R612 WeakPolarHBondContact O-CB 3.49Å; E608-R612 PolarHBondContact O-N 3.06Å
609	E	55.9	Low	54.3	Low	99 Å²	99	105.5 Å²	105.5	46%	0.463	58%	0.579	S	S	.	*	H	α-helix	trans	-74.3	-33	173.4	-161.5	160.1	-161.1	0	0	111.6	S605 R613	S605-E609 PolarHBondContact O-N 3.48Å; E609-R613 WeakPolarHBondContact O-CB 3.48Å; E609-R613 VanDerWaalsContact O-CG 3.3Å; E609-R613 WeakPolarHBondContact O-CG 3.26Å; E609-R613 PolarHBondContact O-N 3.4Å
610	E	53.9	Low	56.5	Low	108 Å²	108	101.3 Å²	101.3	51%	0.505	54%	0.543	S	S	.	.	H	α-helix	trans	-70.3	-47.4	171.2	-169.6	160	-155.9	0	0	112	A606 R612 R613 I614	A606-E610 WeakPolarHBondContact O-CB 3.3Å; A606-E610 PolarHBondContact O-N 3.26Å; E610-R612 VanDerWaalsContact C-N 3.28Å; E610-R612 PolarHBondContact O-N 3.35Å; E610-R613 PolarHBondContact O-N 3.47Å; E610-R613 VanDerWaalsContact O-N 3.11Å; E610-I614 HydrophobicContact CG-CD1 4.01Å; E610-I614 WeakPolarHBondContact O-CD1 3.22Å; E610-I614 VanDerWaalsContact O-CG1 3.23Å; E610-I614 WeakPolarHBondContact O-CG1 3.47Å; E610-I614 PolarHBondContact O-N 3.16Å
611	A	53	Low	58.5	Low	55 Å²	55	100.9 Å²	100.9	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-61.3	-35.4	173.9	0	0	0	0	0	112.8	E607 A615	E607-A611 VanDerWaalsContact O-CB 3.26Å; E607-A611 WeakPolarHBondContact O-CB 3.37Å; E607-A611 PolarHBondContact O-N 3.29Å; A611-A615 VanDerWaalsContact O-CB 3.27Å; A611-A615 WeakPolarHBondContact O-CB 3.16Å; A611-A615 PolarHBondContact O-N 2.84Å
612	R	56	Low	60.4	Low	152 Å²	152	94 Å²	94	57%	0.574	50%	0.496	S	S	*	.	H	α-helix	trans	-70	-39.4	173.5	-172.4	175.5	178	172.3	0	112.1	E608 E610 A615 E616	E608-R612 WeakPolarHBondContact O-CB 3.49Å; E608-R612 PolarHBondContact O-N 3.06Å; E610-R612 VanDerWaalsContact C-N 3.28Å; E610-R612 PolarHBondContact O-N 3.35Å; R612-A615 PolarHBondContact O-N 3.39Å; R612-E616 WeakPolarHBondContact O-CB 3.48Å; R612-E616 WeakPolarHBondContact O-CG 3.49Å; R612-E616 PolarHBondContact O-N 3.43Å
613	R	56.7	Low	62.2	Low	133 Å²	133	91.9 Å²	91.9	50%	0.502	48%	0.475	S	S	.	.	H	α-helix	trans	-63.2	-42.7	173.4	-79.9	-171.2	-67.1	-143.8	2	111.5	E609 E610 E616 M617	E609-R613 WeakPolarHBondContact O-CB 3.48Å; E609-R613 VanDerWaalsContact O-CG 3.3Å; E609-R613 WeakPolarHBondContact O-CG 3.26Å; E609-R613 PolarHBondContact O-N 3.4Å; E610-R613 PolarHBondContact O-N 3.47Å; E610-R613 VanDerWaalsContact O-N 3.11Å; R613-E616 PolarHBondContact O-N 2.83Å; R613-M617 HydrophobicContact CB-CE 4.45Å; R613-M617 WeakPolarHBondContact O-CG 3.44Å; R613-M617 PolarHBondContact O-N 3.44Å
614	I	56.3	Low	63.9	Low	108 Å²	108	90.4 Å²	90.4	55%	0.554	47%	0.468	S	S	*	.	H	α-helix	trans	-64.3	-44.7	176.2	-64.1	162.1	0	0	0	110.7	E610 E616 M617 G618	E610-I614 HydrophobicContact CG-CD1 4.01Å; E610-I614 WeakPolarHBondContact O-CD1 3.22Å; E610-I614 VanDerWaalsContact O-CG1 3.23Å; E610-I614 WeakPolarHBondContact O-CG1 3.47Å; E610-I614 PolarHBondContact O-N 3.16Å; I614-E616 VanDerWaalsContact C-N 3.25Å; I614-E616 PolarHBondContact O-N 3.4Å; I614-M617 PolarHBondContact O-N 3.48Å; I614-M617 VanDerWaalsContact O-N 3.15Å; I614-G618 PolarHBondContact O-N 2.88Å
615	A	56.5	Low	65.7	Low	50 Å²	50	88.3 Å²	88.3	41%	0.413	46%	0.455	S	S	.	.	H	α-helix	trans	-70.1	-17.5	176.2	0	0	0	0	0	114.4	A611 R612	A611-A615 VanDerWaalsContact O-CB 3.27Å; A611-A615 WeakPolarHBondContact O-CB 3.16Å; A611-A615 PolarHBondContact O-N 2.84Å; R612-A615 PolarHBondContact O-N 3.39Å
616	E	61.8	Low	67.1	Low	100 Å²	100	87.7 Å²	87.7	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-84.6	-28.4	170.2	-76.9	-163	149.5	0	0	112.9	R612 R613 I614 G618 K619	R612-E616 WeakPolarHBondContact O-CB 3.48Å; R612-E616 WeakPolarHBondContact O-CG 3.49Å; R612-E616 PolarHBondContact O-N 3.43Å; R613-E616 PolarHBondContact O-N 2.83Å; I614-E616 VanDerWaalsContact C-N 3.25Å; I614-E616 PolarHBondContact O-N 3.4Å; E616-G618 VanDerWaalsContact C-N 3.3Å; E616-K619 IonicContact OE1-NZ 2.73Å; E616-K619 PolarHBondContact OE1-NZ 2.95Å
617	M	59.9	Low	68.7	Low	135 Å²	135	89.7 Å²	89.7	67%	0.665	44%	0.442	S	S	*	.	H	α-helix	trans	-68.8	-26.9	172.8	-69.7	-180	-154.3	0	0	112.3	H489 R613 I614 K619	H489-M617 PolarHBondContact CE1-O 3.21Å; H489-M617 PolarHBondContact ND1-O 3.48Å; R613-M617 HydrophobicContact CB-CE 4.45Å; R613-M617 WeakPolarHBondContact O-CG 3.44Å; R613-M617 PolarHBondContact O-N 3.44Å; I614-M617 PolarHBondContact O-N 3.48Å; I614-M617 VanDerWaalsContact O-N 3.15Å; M617-K619 VanDerWaalsContact C-N 3.34Å; M617-K619 PolarHBondContact O-N 3.18Å
618	G	65	Low	70.5	Confident	19 Å²	19	82.5 Å²	82.5	20%	0.196	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	22.7	177.4	0	0	0	0	0	116.4	A490 I614 E616	A490-G618 WeakPolarHBondContact CB-O 3.32Å; I614-G618 PolarHBondContact O-N 2.88Å; E616-G618 VanDerWaalsContact C-N 3.3Å
619	K	76.1	Confident	72.3	Confident	86 Å²	86	79.5 Å²	79.5	37%	0.374	40%	0.395	S	S	.	.	S	Bend	trans	-89	148	176.9	-72.9	176.7	-175.4	165	0	110.5	E616 M617 I621	E616-K619 IonicContact OE1-NZ 2.73Å; E616-K619 PolarHBondContact OE1-NZ 2.95Å; M617-K619 VanDerWaalsContact C-N 3.34Å; M617-K619 PolarHBondContact O-N 3.18Å; K619-I621 PolarHBondContact O-N 2.87Å
620	P	82.2	Confident	73.9	Confident	16 Å²	16	74.8 Å²	74.8	10%	0.104	37%	0.373	C	S	.	.			trans	-65.7	136.9	175.6	29.3	-35.1	0	0	0	110.6	A490 G491 F493 V523 P581 W583	A490-P620 HydrophobicContact CB-CB 4.41Å; G491-P620 WeakPolarHBondContact O-CA 3.33Å; F493-P620 HydrophobicContact CD2-CB 4.35Å; F493-P620 HydrophobicContact CE2-CB 3.7Å; V523-P620 HydrophobicContact CG1-CB 4.04Å; V523-P620 HydrophobicContact CG1-CG 4.21Å; V523-P620 HydrophobicContact CG2-CB 4.09Å; V523-P620 HydrophobicContact CG2-CG 4.22Å; P581-P620 HydrophobicContact CB-CB 4.04Å; P581-P620 HydrophobicContact CB-CG 4.32Å; P581-P620 HydrophobicContact CG-CB 3.96Å; P581-P620 HydrophobicContact CG-CG 4.36Å; W583-P620 HydrophobicContact CB-CG 3.97Å; W583-P620 HydrophobicContact CG-CG 4.44Å
621	I	84.3	Confident	75.7	Confident	87 Å²	87	70 Å²	70	45%	0.446	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	162	-180	58.9	168.9	0	0	0	111.3	G491 I492 F493 K619	G491-I621 PolarHBondContact O-N 3.26Å; I492-I621 WeakPolarHBondContact CA-O 2.89Å; I492-I621 HydrophobicContact CB-CG1 4.37Å; I492-I621 HydrophobicContact CD1-CD1 4.22Å; I492-I621 HydrophobicContact CD1-CG1 4.49Å; I492-I621 HydrophobicContact CG1-CD1 4.08Å; I492-I621 HydrophobicContact CG1-CG1 3.81Å; I492-I621 HydrophobicContact CG2-CG1 4.25Å; F493-I621 PolarHBondContact N-O 2.92Å; K619-I621 PolarHBondContact O-N 2.87Å
622	L	87.4	Confident	77.2	Confident	57 Å²	57	67.7 Å²	67.7	30%	0.298	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.5	168.9	-69.2	174.6	0	0	0	109.8	F493 L525 L578 E579	F493-L622 HydrophobicContact CB-CD2 4.45Å; L525-L622 HydrophobicContact CD1-CD2 3.87Å; L578-L622 HydrophobicContact CB-CD2 3.95Å; E579-L622 WeakPolarHBondContact O-CD2 3.3Å
623	G	82.1	Confident	78.3	Confident	20 Å²	20	63.6 Å²	63.6	21%	0.206	32%	0.319	C	S	.	.			trans	-83.2	-167.2	174.7	0	0	0	0	0	113.4	I492 F493 H625	I492-G623 VanDerWaalsContact CG2-CA 3.4Å; F493-G623 PolarHBondContact O-N 3.03Å; G623-H625 PolarHBondContact O-N 3.44Å
624	E	81.4	Confident	79	Confident	174 Å²	174	59.7 Å²	59.7	81%	0.813	31%	0.306	S	S	*	.	S	Bend	trans	-60.4	-40.1	-173.6	-172.6	177.2	-177.9	0	0	113.3
625	H	85	Confident	79.3	Confident	50 Å²	50	56 Å²	56	23%	0.231	29%	0.289	C	S	.	.			trans	-104.4	86.4	179.7	-51.1	115.7	0	0	0	110.7	T494 F495 G623	T494-H625 WeakPolarHBondContact OG1-CA 3.27Å; T494-H625 WeakPolarHBondContact OG1-CB 3.24Å; T494-H625 PolarHBondContact OG1-N 3.11Å; T494-H625 PolarHBondContact OG1-O 2.83Å; F495-H625 HydrophobicContact CB-CB 4.24Å; F495-H625 WeakPolarHBondContact CD2-O 3.43Å; F495-H625 PolarHBondContact N-O 3.1Å; G623-H625 PolarHBondContact O-N 3.44Å
626	S	87.6	Confident	79.4	Confident	44 Å²	44	63.2 Å²	63.2	31%	0.308	31%	0.307	S	S	.	.	S	Bend	trans	-93.1	-8.1	172.1	58.5	0	0	0	0	113.6	L578	L578-S626 PolarHBondContact N-O 3.15Å
627	R	91.3	Very high	79.3	Confident	116 Å²	116	65.1 Å²	65.1	44%	0.438	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	118.6	179.1	179.7	169	-171.6	-112	3.8	110	F575 I576 V577	F575-R627 HydrophobicContact CB-CG 4.39Å; F575-R627 HydrophobicContact CD1-CG 4.21Å; F575-R627 VanDerWaalsContact CD1-NH2 3.35Å; F575-R627 VanDerWaalsContact CG-CZ 3.49Å; I576-R627 CarbonylContact O-C 3.6Å; I576-R627 WeakPolarHBondContact O-CA 3.36Å; V577-R627 HydrophobicContact CG2-CB 4.46Å; V577-R627 HydrophobicContact CG2-CG 4.01Å
628	L	91.9	Very high	79.2	Confident	2 Å²	2	61 Å²	61	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.3	176.4	174.4	66.5	0	0	0	109.9	F495 E497 V500 V511 F575 I576 V630	F495-L628 HydrophobicContact CD1-CB 4.33Å; F495-L628 HydrophobicContact CD1-CD2 4.4Å; F495-L628 HydrophobicContact CD2-CB 3.68Å; F495-L628 HydrophobicContact CE1-CB 4.42Å; F495-L628 HydrophobicContact CE2-CB 3.75Å; F495-L628 HydrophobicContact CG-CB 3.97Å; F495-L628 HydrophobicContact CZ-CB 4.14Å; E497-L628 VanDerWaalsContact O-CD1 3.25Å; E497-L628 WeakPolarHBondContact O-CD1 3.44Å; V500-L628 HydrophobicContact CB-CD1 4.3Å; V500-L628 HydrophobicContact CG2-CD1 3.77Å; V500-L628 HydrophobicContact CG2-CD2 4.33Å; V511-L628 HydrophobicContact CB-CD2 4.42Å; V511-L628 HydrophobicContact CG1-CD2 3.48Å; V511-L628 VanDerWaalsContact CG1-CD2 3.48Å; V511-L628 HydrophobicContact CG2-CD2 4.03Å; F575-L628 CarbonylContact C-O 3.55Å; F575-L628 VanDerWaalsContact CA-O 3.23Å; F575-L628 WeakPolarHBondContact CA-O 3.38Å; I576-L628 HydrophobicContact CB-CB 4.37Å; I576-L628 HydrophobicContact CD1-CD2 4.33Å; I576-L628 PolarHBondContact N-O 3.48Å; I576-L628 PolarHBondContact O-N 3.45Å; L628-V630 HydrophobicContact CD2-CG2 3.99Å; L628-V630 HydrophobicContact CG-CG2 4.05Å
629	E	92.9	Very high	79	Confident	58 Å²	58	65.5 Å²	65.5	27%	0.271	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.6	168.1	-176.7	171.6	-165.6	0	0	109.5	R498 L499 V500 N573 F575 V631	R498-E629 PolarHBondContact O-N 2.96Å; L499-E629 WeakPolarHBondContact CA-O 3.48Å; L499-E629 HydrophobicContact CD1-CB 3.89Å; L499-E629 HydrophobicContact CD1-CG 3.74Å; V500-E629 PolarHBondContact N-O 3.14Å; N573-E629 HydrophobicContact CB-CG 4.42Å; N573-E629 PolarHBondContact ND2-OE1 3.4Å; F575-E629 HydrophobicContact CD1-CB 3.94Å; F575-E629 HydrophobicContact CD1-CG 4.18Å; F575-E629 HydrophobicContact CE1-CB 3.77Å; F575-E629 HydrophobicContact CE1-CG 3.67Å; F575-E629 HydrophobicContact CZ-CG 4.32Å; E629-V631 HydrophobicContact CG-CG2 4.33Å
630	V	91.3	Very high	78.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.9	175.9	-175.1	0	0	0	0	108.8	V500 V502 M509 N573 F574 I576 L628	V500-V630 WeakPolarHBondContact O-CA 3.37Å; V502-V630 HydrophobicContact CG1-CG1 4.29Å; V502-V630 HydrophobicContact CG2-CG1 3.71Å; M509-V630 HydrophobicContact CE-CG1 3.73Å; M509-V630 HydrophobicContact SD-CG1 3.91Å; M509-V630 HydrophobicContact SD-CG2 4.2Å; N573-V630 CarbonylContact C-O 3.57Å; N573-V630 WeakPolarHBondContact CA-O 3.35Å; N573-V630 WeakPolarHBondContact CB-O 3.26Å; F574-V630 HydrophobicContact CD1-CB 3.97Å; F574-V630 HydrophobicContact CD1-CG1 4.28Å; F574-V630 HydrophobicContact CE1-CB 3.51Å; F574-V630 HydrophobicContact CE1-CG1 3.47Å; F574-V630 VanDerWaalsContact CE1-CG1 3.47Å; F574-V630 HydrophobicContact CE1-CG2 4.29Å; F574-V630 HydrophobicContact CE2-CB 4.19Å; F574-V630 HydrophobicContact CE2-CG2 4.16Å; F574-V630 HydrophobicContact CG-CB 4.47Å; F574-V630 HydrophobicContact CZ-CB 3.64Å; F574-V630 HydrophobicContact CZ-CG1 3.75Å; F574-V630 HydrophobicContact CZ-CG2 3.89Å; F574-V630 PolarHBondContact N-O 3.49Å; F574-V630 PolarHBondContact O-N 2.95Å; I576-V630 HydrophobicContact CD1-CG2 4.14Å; I576-V630 HydrophobicContact CG1-CG2 4.25Å; L628-V630 HydrophobicContact CD2-CG2 3.99Å; L628-V630 HydrophobicContact CG-CG2 4.05Å
631	V	90	Very high	77.4	Confident	9 Å²	9	64.1 Å²	64.1	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.6	178	178.7	0	0	0	0	108.7	L499 V500 R501 V502 H571 E572 N573 E629 E633	L499-V631 HydrophobicContact CD1-CG2 3.6Å; V500-V631 PolarHBondContact O-N 3.2Å; R501-V631 WeakPolarHBondContact CA-O 3.42Å; R501-V631 HydrophobicContact CG-CB 4.36Å; V502-V631 PolarHBondContact N-O 2.95Å; H571-V631 VanDerWaalsContact CE1-CG1 3.45Å; H571-V631 WeakPolarHBondContact CE1-CG1 3.34Å; E572-V631 CarbonylContact O-C 3.43Å; E572-V631 WeakPolarHBondContact O-CA 3.27Å; N573-V631 HydrophobicContact CB-CG2 4.15Å; E629-V631 HydrophobicContact CG-CG2 4.33Å; V631-E633 HydrophobicContact CG1-CG 3.92Å
632	I	86.1	Confident	76.5	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.4	174.4	-54.7	174.9	0	0	0	107.2	V502 E504 A534 D539 I562 E572 F574	V502-I632 HydrophobicContact CG2-CG1 4.14Å; V502-I632 WeakPolarHBondContact O-CA 3.38Å; E504-I632 HydrophobicContact CB-CG2 4.03Å; A534-I632 HydrophobicContact CB-CD1 4.27Å; D539-I632 HydrophobicContact CB-CD1 4.28Å; I562-I632 HydrophobicContact CD1-CD1 4.19Å; I562-I632 HydrophobicContact CG2-CD1 4.5Å; E572-I632 PolarHBondContact N-O 2.78Å; E572-I632 PolarHBondContact O-N 3.33Å; F574-I632 HydrophobicContact CD1-CD1 4.24Å; F574-I632 HydrophobicContact CD1-CG1 4.48Å; F574-I632 HydrophobicContact CE1-CD1 4.23Å; F574-I632 HydrophobicContact CE1-CG1 4.32Å
633	E	78.9	Confident	75.3	Confident	66 Å²	66	61.2 Å²	61.2	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147	178.5	-62.3	-172.2	167.2	0	0	111.1	R501 V502 S503 E504 V631	R501-E633 WeakPolarHBondContact CD-OE1 3.32Å; R501-E633 IonicContact NE-OE1 2.89Å; R501-E633 PolarHBondContact NE-OE1 2.96Å; V502-E633 PolarHBondContact O-N 3.02Å; S503-E633 WeakPolarHBondContact CA-O 3.32Å; E504-E633 PolarHBondContact N-O 3.08Å; V631-E633 HydrophobicContact CG1-CG 3.92Å
634	E	69.9	Low	74.3	Confident	51 Å²	51	66.4 Å²	66.4	24%	0.238	31%	0.312	C	S	.	.			trans	-60.2	146.9	171.5	-172.7	-178.6	-164	0	0	110.6	Y636	E634-Y636 PolarHBondContact O-N 2.93Å; E634-Y636 VanDerWaalsContact O-N 3.09Å
635	S	64.4	Low	73.3	Confident	29 Å²	29	58.2 Å²	58.2	20%	0.203	27%	0.274	C	S	.	.			trans	-58.9	115.5	176.8	-178.8	0	0	0	0	112.2	E637 F638 K639	S635-E637 PolarHBondContact O-N 2.71Å; S635-F638 PolarHBondContact O-N 3.17Å; S635-F638 VanDerWaalsContact O-N 3.13Å; S635-K639 PolarHBondContact O-N 2.84Å
636	Y	57.5	Low	72.2	Confident	202 Å²	202	57.9 Å²	57.9	79%	0.792	27%	0.274	S	S	*	.	H	α-helix	trans	-60.3	-29.8	-178.9	-153.2	-93.1	0	0	0	112.8	E634 S640	E634-Y636 PolarHBondContact O-N 2.93Å; E634-Y636 VanDerWaalsContact O-N 3.09Å; Y636-S640 WeakPolarHBondContact O-CB 3.39Å; Y636-S640 PolarHBondContact O-N 3.39Å; Y636-S640 VanDerWaalsContact O-N 3.14Å
637	E	59	Low	70.7	Confident	140 Å²	140	64.3 Å²	64.3	65%	0.654	30%	0.296	S	S	*	.	H	α-helix	trans	-65.8	-39.1	177.3	-66.6	-172.7	163.2	0	0	111.9	S635 T641	S635-E637 PolarHBondContact O-N 2.71Å; E637-T641 VanDerWaalsContact O-CB 3.29Å; E637-T641 WeakPolarHBondContact O-CB 3.27Å; E637-T641 PolarHBondContact O-N 3.36Å; E637-T641 VanDerWaalsContact O-N 3.08Å; E637-T641 PolarHBondContact O-OG1 2.92Å
638	F	59.5	Low	68.9	Low	50 Å²	50	66 Å²	66	22%	0.219	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-46.2	-179.6	-171.6	-99.6	0	0	0	111.5	I281 L284 S635 T641 V642	I281-F638 HydrophobicContact CG1-CE1 4.38Å; I281-F638 HydrophobicContact CG2-CE1 4.46Å; I281-F638 HydrophobicContact CG2-CZ 4.43Å; L284-F638 HydrophobicContact CD2-CD2 4.29Å; L284-F638 HydrophobicContact CD2-CE2 3.34Å; L284-F638 HydrophobicContact CD2-CZ 3.92Å; S635-F638 PolarHBondContact O-N 3.17Å; S635-F638 VanDerWaalsContact O-N 3.13Å; F638-T641 WeakPolarHBondContact O-CB 3.41Å; F638-T641 PolarHBondContact O-N 2.91Å; F638-V642 HydrophobicContact CD1-CG2 4.07Å; F638-V642 HydrophobicContact CE1-CG2 3.77Å; F638-V642 HydrophobicContact CZ-CG2 4.1Å; F638-V642 WeakPolarHBondContact O-CG2 3.4Å; F638-V642 PolarHBondContact O-N 2.91Å
639	K	60.5	Low	67.2	Low	113 Å²	113	67.2 Å²	67.2	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-47.3	179.3	-175.2	172.5	-176.6	167.2	0	112.6	S635 T641 V642 D643	S635-K639 PolarHBondContact O-N 2.84Å; K639-T641 PolarHBondContact O-N 3.11Å; K639-V642 PolarHBondContact O-N 3.28Å; K639-D643 WeakPolarHBondContact O-CB 3.24Å; K639-D643 PolarHBondContact O-N 3.29Å
640	S	61.3	Low	65.7	Low	45 Å²	45	66.7 Å²	66.7	32%	0.315	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-38.9	175	178.9	0	0	0	0	111.7	Y636 K644	Y636-S640 WeakPolarHBondContact O-CB 3.39Å; Y636-S640 PolarHBondContact O-N 3.39Å; Y636-S640 VanDerWaalsContact O-N 3.14Å; S640-K644 WeakPolarHBondContact O-CB 3.44Å; S640-K644 VanDerWaalsContact O-CG 3.27Å; S640-K644 WeakPolarHBondContact O-CG 3.26Å; S640-K644 PolarHBondContact O-N 3.13Å
641	T	63.9	Low	64.2	Low	27 Å²	27	67 Å²	67	17%	0.166	32%	0.315	C	S	.	.	H	α-helix	trans	-67.4	-46.1	177.4	-59.1	0	0	0	0	111.9	V300 E637 F638 K639 K644 L645	V300-T641 HydrophobicContact CB-CG2 4.42Å; V300-T641 HydrophobicContact CG1-CG2 4.34Å; V300-T641 HydrophobicContact CG2-CG2 3.21Å; E637-T641 VanDerWaalsContact O-CB 3.29Å; E637-T641 WeakPolarHBondContact O-CB 3.27Å; E637-T641 PolarHBondContact O-N 3.36Å; E637-T641 VanDerWaalsContact O-N 3.08Å; E637-T641 PolarHBondContact O-OG1 2.92Å; F638-T641 WeakPolarHBondContact O-CB 3.41Å; F638-T641 PolarHBondContact O-N 2.91Å; K639-T641 PolarHBondContact O-N 3.11Å; T641-K644 PolarHBondContact O-N 3.05Å; T641-L645 WeakPolarHBondContact O-CB 3.3Å; T641-L645 PolarHBondContact O-N 2.98Å
642	V	64.2	Low	62.6	Low	9 Å²	9	67 Å²	67	6%	0.055	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-43.6	177.3	171.7	0	0	0	0	111.2	I281 F638 K639 K644 L645 I646	I281-V642 HydrophobicContact CD1-CG1 4.46Å; I281-V642 HydrophobicContact CG1-CG1 4.15Å; I281-V642 HydrophobicContact CG1-CG2 4.22Å; F638-V642 HydrophobicContact CD1-CG2 4.07Å; F638-V642 HydrophobicContact CE1-CG2 3.77Å; F638-V642 HydrophobicContact CZ-CG2 4.1Å; F638-V642 WeakPolarHBondContact O-CG2 3.4Å; F638-V642 PolarHBondContact O-N 2.91Å; K639-V642 PolarHBondContact O-N 3.28Å; V642-K644 PolarHBondContact O-N 3.25Å; V642-L645 VanDerWaalsContact O-CB 3.29Å; V642-L645 WeakPolarHBondContact O-CB 3.27Å; V642-L645 PolarHBondContact O-N 3.45Å; V642-L645 VanDerWaalsContact O-N 3.09Å; V642-I646 HydrophobicContact CG1-CD1 3.71Å; V642-I646 HydrophobicContact CG1-CG1 4.45Å; V642-I646 WeakPolarHBondContact O-CD1 3.32Å; V642-I646 WeakPolarHBondContact O-CG1 3.2Å; V642-I646 PolarHBondContact O-N 3.41Å
643	D	61.7	Low	61.4	Low	75 Å²	75	70.2 Å²	70.2	40%	0.401	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-40.2	177	-76.5	-18.8	0	0	0	112.2	K639 L645 K647	K639-D643 WeakPolarHBondContact O-CB 3.24Å; K639-D643 PolarHBondContact O-N 3.29Å; D643-L645 VanDerWaalsContact C-N 3.32Å; D643-K647 PolarHBondContact O-N 3.29Å
644	K	62.1	Low	60.7	Low	129 Å²	129	67.5 Å²	67.5	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-63.3	-37.9	172	-77.4	175.7	-176	177.9	0	111.6	S640 T641 V642 K648	S640-K644 WeakPolarHBondContact O-CB 3.44Å; S640-K644 VanDerWaalsContact O-CG 3.27Å; S640-K644 WeakPolarHBondContact O-CG 3.26Å; S640-K644 PolarHBondContact O-N 3.13Å; T641-K644 PolarHBondContact O-N 3.05Å; V642-K644 PolarHBondContact O-N 3.25Å; K644-K648 WeakPolarHBondContact O-CG 3.39Å; K644-K648 PolarHBondContact O-N 2.9Å
645	L	61.2	Low	60.5	Low	2 Å²	2	65.1 Å²	65.1	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-48.2	-179.7	-137.3	148.5	0	0	0	111	V280 L284 V300 A303 N304 T641 V642 D643 K647 K648 T649	V280-L645 HydrophobicContact CG1-CB 4.47Å; V280-L645 HydrophobicContact CG1-CD1 4.42Å; V280-L645 HydrophobicContact CG1-CD2 3.83Å; V280-L645 HydrophobicContact CG1-CG 4.47Å; L284-L645 HydrophobicContact CD1-CD1 3.79Å; V300-L645 HydrophobicContact CB-CD1 4.36Å; V300-L645 HydrophobicContact CG1-CD1 3.8Å; V300-L645 HydrophobicContact CG1-CG 4.39Å; V300-L645 HydrophobicContact CG2-CD1 4.4Å; A303-L645 HydrophobicContact CB-CD1 4.14Å; N304-L645 HydrophobicContact CB-CD2 4.34Å; N304-L645 WeakPolarHBondContact OD1-CD2 3.35Å; N304-L645 VanDerWaalsContact OD1-CG 3.27Å; N304-L645 WeakPolarHBondContact OD1-CG 3.29Å; T641-L645 WeakPolarHBondContact O-CB 3.3Å; T641-L645 PolarHBondContact O-N 2.98Å; V642-L645 VanDerWaalsContact O-CB 3.29Å; V642-L645 WeakPolarHBondContact O-CB 3.27Å; V642-L645 PolarHBondContact O-N 3.45Å; V642-L645 VanDerWaalsContact O-N 3.09Å; D643-L645 VanDerWaalsContact C-N 3.32Å; L645-K647 VanDerWaalsContact C-N 3.32Å; L645-K647 PolarHBondContact O-N 3.29Å; L645-K648 PolarHBondContact O-N 3.14Å; L645-T649 HydrophobicContact CD2-CG2 3.99Å; L645-T649 WeakPolarHBondContact O-CG2 3.19Å; L645-T649 PolarHBondContact O-N 3.38Å; L645-T649 PolarHBondContact O-OG1 2.97Å; L645-T649 VanDerWaalsContact O-OG1 3.1Å
646	I	61.4	Low	60.5	Low	43 Å²	43	64.2 Å²	64.2	22%	0.221	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-41.9	-180	-67.8	159.5	0	0	0	111.3	E277 V642 K648 T649	E277-I646 HydrophobicContact CB-CD1 4.27Å; E277-I646 HydrophobicContact CG-CD1 3.32Å; V642-I646 HydrophobicContact CG1-CD1 3.71Å; V642-I646 HydrophobicContact CG1-CG1 4.45Å; V642-I646 WeakPolarHBondContact O-CD1 3.32Å; V642-I646 WeakPolarHBondContact O-CG1 3.2Å; V642-I646 PolarHBondContact O-N 3.41Å; I646-K648 VanDerWaalsContact C-N 3.32Å; I646-K648 PolarHBondContact O-N 3.46Å; I646-T649 WeakPolarHBondContact CA-OG1 3.09Å; I646-T649 PolarHBondContact O-N 3.06Å; I646-T649 PolarHBondContact O-OG1 2.94Å
647	K	55.7	Low	61.4	Low	179 Å²	179	54.9 Å²	54.9	78%	0.778	27%	0.269	S	S	*	.	H	α-helix	trans	-67.1	-29.8	176.4	-77.2	-179	178.8	173.7	0	113.3	D643 L645	D643-K647 PolarHBondContact O-N 3.29Å; L645-K647 VanDerWaalsContact C-N 3.32Å; L645-K647 PolarHBondContact O-N 3.29Å
648	K	53.7	Low	62.4	Low	151 Å²	151	51.2 Å²	51.2	66%	0.657	25%	0.252	S	S	*	.	H	α-helix	trans	-86.2	-19.1	179.8	-74.4	-178.7	177.6	-178.6	0	113.6	K644 L645 I646 N650	K644-K648 WeakPolarHBondContact O-CG 3.39Å; K644-K648 PolarHBondContact O-N 2.9Å; L645-K648 PolarHBondContact O-N 3.14Å; I646-K648 VanDerWaalsContact C-N 3.32Å; I646-K648 PolarHBondContact O-N 3.46Å; K648-N650 VanDerWaalsContact C-N 3.33Å; K648-N650 PolarHBondContact O-N 2.94Å
649	T	55.5	Low	63.6	Low	27 Å²	27	51.1 Å²	51.1	17%	0.166	26%	0.257	C	S	.	.			trans	-82.8	61.4	180	46.6	0	0	0	0	114.1	N304 A307 L645 I646	N304-T649 WeakPolarHBondContact OD1-CG2 3.23Å; A307-T649 HydrophobicContact CB-CG2 4.13Å; L645-T649 HydrophobicContact CD2-CG2 3.99Å; L645-T649 WeakPolarHBondContact O-CG2 3.19Å; L645-T649 PolarHBondContact O-N 3.38Å; L645-T649 PolarHBondContact O-OG1 2.97Å; L645-T649 VanDerWaalsContact O-OG1 3.1Å; I646-T649 WeakPolarHBondContact CA-OG1 3.09Å; I646-T649 PolarHBondContact O-N 3.06Å; I646-T649 PolarHBondContact O-OG1 2.94Å
650	N	61.6	Low	64.8	Low	47 Å²	47	49.8 Å²	49.8	25%	0.251	25%	0.249	S	C	.	.			trans	-112.4	113.4	166.6	-165.6	-22.7	0	0	0	110.9	K648 A652 L653 V654	K648-N650 VanDerWaalsContact C-N 3.33Å; K648-N650 PolarHBondContact O-N 2.94Å; N650-A652 PolarHBondContact O-N 2.84Å; N650-A652 VanDerWaalsContact O-N 3.08Å; N650-A652 VanDerWaalsContact OD1-CB 3.31Å; N650-A652 WeakPolarHBondContact OD1-CB 3.5Å; N650-A652 PolarHBondContact OD1-N 2.54Å; N650-L653 HydrophobicContact CB-CB 4.48Å; N650-L653 HydrophobicContact CB-CD1 3.83Å; N650-L653 HydrophobicContact CB-CG 4.05Å; N650-L653 WeakPolarHBondContact O-CB 3.39Å; N650-L653 PolarHBondContact O-N 2.77Å; N650-V654 PolarHBondContact O-N 2.97Å
651	L	59.6	Low	66	Low	7 Å²	7	57.1 Å²	57.1	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-53.9	-29.7	177.2	-163.2	77.4	0	0	0	112.5	L308 K313 F317 L333 V654 I655	L308-L651 HydrophobicContact CD2-CD1 4.24Å; K313-L651 HydrophobicContact CG-CD2 4.45Å; F317-L651 HydrophobicContact CB-CD2 4.26Å; F317-L651 HydrophobicContact CD2-CD1 4.25Å; F317-L651 HydrophobicContact CD2-CD2 4.11Å; F317-L651 HydrophobicContact CD2-CG 4.25Å; F317-L651 HydrophobicContact CE2-CD1 4.2Å; F317-L651 HydrophobicContact CG-CD2 4.23Å; L333-L651 HydrophobicContact CD1-CD1 4.16Å; L651-V654 PolarHBondContact O-N 3.35Å; L651-I655 HydrophobicContact CD2-CD1 4.3Å; L651-I655 HydrophobicContact CG-CD1 4.07Å; L651-I655 WeakPolarHBondContact O-CD1 3.48Å; L651-I655 VanDerWaalsContact O-CG1 3.25Å; L651-I655 WeakPolarHBondContact O-CG1 3.31Å; L651-I655 PolarHBondContact O-N 3.18Å; L651-I655 VanDerWaalsContact O-N 3.14Å
652	A	57.3	Low	66.8	Low	8 Å²	8	57.9 Å²	57.9	7%	0.066	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-33.3	177.1	0	0	0	0	0	113.5	S61 N650 G656	S61-A652 WeakPolarHBondContact OG-CB 3.24Å; N650-A652 PolarHBondContact O-N 2.84Å; N650-A652 VanDerWaalsContact O-N 3.08Å; N650-A652 VanDerWaalsContact OD1-CB 3.31Å; N650-A652 WeakPolarHBondContact OD1-CB 3.5Å; N650-A652 PolarHBondContact OD1-N 2.54Å; A652-G656 PolarHBondContact O-N 3.4Å
653	L	60.4	Low	67.8	Low	74 Å²	74	57.5 Å²	57.5	39%	0.387	27%	0.269	S	S	.	.	H	α-helix	trans	-67.2	-39.9	172.6	-68	167.8	0	0	0	110.2	N650 I655 G656 H658	N650-L653 HydrophobicContact CB-CB 4.48Å; N650-L653 HydrophobicContact CB-CD1 3.83Å; N650-L653 HydrophobicContact CB-CG 4.05Å; N650-L653 WeakPolarHBondContact O-CB 3.39Å; N650-L653 PolarHBondContact O-N 2.77Å; L653-I655 VanDerWaalsContact C-N 3.31Å; L653-I655 PolarHBondContact O-N 3.47Å; L653-G656 PolarHBondContact O-N 2.92Å; L653-H658 PolarHBondContact O-NE2 3.08Å
654	V	64.8	Low	69.1	Low	10 Å²	10	57.8 Å²	57.8	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-33.2	179.3	179.3	0	0	0	0	112.8	L308 V332 L333 H336 N650 L651	L308-V654 HydrophobicContact CD1-CG2 3.98Å; L308-V654 HydrophobicContact CD2-CG2 4.18Å; V332-V654 HydrophobicContact CG1-CG1 4.19Å; L333-V654 HydrophobicContact CD1-CG1 4.22Å; H336-V654 HydrophobicContact CB-CG1 3.79Å; N650-V654 PolarHBondContact O-N 2.97Å; L651-V654 PolarHBondContact O-N 3.35Å
655	I	64.9	Low	70.2	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-84.5	-33.4	-179.3	-65.5	162.5	0	0	0	111.5	A54 E57 F317 I320 R324 L651 L653	A54-I655 HydrophobicContact CB-CG2 4.09Å; E57-I655 HydrophobicContact CG-CD1 3.75Å; F317-I655 HydrophobicContact CB-CD1 3.95Å; F317-I655 HydrophobicContact CD2-CD1 3.66Å; F317-I655 HydrophobicContact CD2-CG1 3.83Å; F317-I655 HydrophobicContact CG-CD1 4.31Å; I320-I655 HydrophobicContact CD1-CG2 3.37Å; I320-I655 HydrophobicContact CG2-CG2 4.31Å; R324-I655 PolarHBondContact NH2-O 3.41Å; R324-I655 VanDerWaalsContact NH2-O 3.11Å; L651-I655 HydrophobicContact CD2-CD1 4.3Å; L651-I655 HydrophobicContact CG-CD1 4.07Å; L651-I655 WeakPolarHBondContact O-CD1 3.48Å; L651-I655 VanDerWaalsContact O-CG1 3.25Å; L651-I655 WeakPolarHBondContact O-CG1 3.31Å; L651-I655 PolarHBondContact O-N 3.18Å; L651-I655 VanDerWaalsContact O-N 3.14Å; L653-I655 VanDerWaalsContact C-N 3.31Å; L653-I655 PolarHBondContact O-N 3.47Å
656	G	64.6	Low	70.9	Confident	11 Å²	11	56 Å²	56	11%	0.113	27%	0.265	C	S	.	.	S	Bend	trans	-67	163.7	-177	0	0	0	0	0	113.3	A652 L653 T711	A652-G656 PolarHBondContact O-N 3.4Å; L653-G656 PolarHBondContact O-N 2.92Å; G656-T711 WeakPolarHBondContact CA-OG1 3.18Å
657	T	76.4	Confident	72	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.037	26%	0.257	C	S	.	.			trans	-115.4	134.3	169.1	48.6	0	0	0	0	108.5	Q663 P710 T711	T657-Q663 HydrophobicContact CG2-CG 3.94Å; T657-Q663 PolarHBondContact OG1-NE2 3.33Å; T657-P710 VanDerWaalsContact O-CB 3.3Å; T657-P710 WeakPolarHBondContact O-CB 3.25Å; T657-T711 PolarHBondContact N-OG1 2.88Å; T657-T711 PolarHBondContact O-N 2.9Å; T657-T711 PolarHBondContact O-OG1 2.66Å; T657-T711 PolarHBondContact OG1-N 3.06Å
658	H	79.3	Confident	73.4	Confident	63 Å²	63	50.1 Å²	50.1	29%	0.292	25%	0.246	S	C	.	.			trans	-94.3	-33.8	-172.8	-62.7	-86.7	0	0	0	111.6	L653 E662 E712	L653-H658 PolarHBondContact O-NE2 3.08Å; H658-E662 IonicContact CD2-OE2 2.63Å; H658-E662 PolarHBondContact N-OE2 2.97Å; H658-E712 VanDerWaalsContact CA-OE2 3.29Å; H658-E712 WeakPolarHBondContact CA-OE2 3.06Å; H658-E712 WeakPolarHBondContact CB-OE2 3.48Å; H658-E712 IonicContact CE1-OE1 3.58Å; H658-E712 PolarHBondContact CE1-OE1 2.95Å; H658-E712 IonicContact CG-OE1 2.73Å; H658-E712 IonicContact CG-OE2 3.69Å; H658-E712 IonicContact ND1-OE1 3.44Å; H658-E712 PolarHBondContact ND1-OE1 2.91Å; H658-E712 IonicContact ND1-OE2 3.65Å; H658-E712 PolarHBondContact ND1-OE2 3.41Å; H658-E712 VanDerWaalsContact ND1-OE2 3.16Å
659	S	85.1	Confident	74.7	Confident	47 Å²	47	45.4 Å²	45.4	33%	0.329	23%	0.23	S	C	.	.			trans	-141.6	154.5	-175.6	70.9	0	0	0	0	113.3	R661 E662 Q663	S659-R661 VanDerWaalsContact C-N 3.27Å; S659-R661 PolarHBondContact O-N 3.04Å; S659-E662 WeakPolarHBondContact O-CB 3.41Å; S659-E662 PolarHBondContact O-N 3.04Å; S659-E662 WeakPolarHBondContact OG-CB 3.37Å; S659-E662 PolarHBondContact OG-N 3Å; S659-Q663 WeakPolarHBondContact O-CG 3.36Å; S659-Q663 PolarHBondContact O-N 2.83Å
660	W	87.4	Confident	75.8	Confident	85 Å²	85	46 Å²	46	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-40	170.4	-72.5	104.1	0	0	0	112.5	E662 Q663 F664 A706 C707 V708 P709 P710	W660-E662 VanDerWaalsContact C-N 3.29Å; W660-E662 PolarHBondContact O-N 3.48Å; W660-Q663 WeakPolarHBondContact O-CB 3.43Å; W660-Q663 PolarHBondContact O-N 3Å; W660-Q663 VanDerWaalsContact O-N 3.12Å; W660-F664 HydrophobicContact CB-CD2 4.47Å; W660-F664 HydrophobicContact CE3-CE2 4.05Å; W660-F664 VanDerWaalsContact O-CD2 3.26Å; W660-F664 WeakPolarHBondContact O-CD2 3.49Å; W660-F664 PolarHBondContact O-N 2.92Å; W660-A706 WeakPolarHBondContact CZ3-O 3.39Å; W660-C707 WeakPolarHBondContact CH2-O 2.96Å; W660-V708 VanDerWaalsContact CH2-O 3.23Å; W660-V708 WeakPolarHBondContact CH2-O 3.3Å; W660-V708 VanDerWaalsContact CZ3-C 3.41Å; W660-V708 VanDerWaalsContact CZ3-N 3.33Å; W660-V708 WeakPolarHBondContact CZ3-O 3.47Å; W660-P709 VanDerWaalsContact CH2-N 3.31Å; W660-P709 HydrophobicContact CZ2-CB 4.23Å; W660-P710 HydrophobicContact CD2-CG 4.32Å; W660-P710 HydrophobicContact CG-CG 4.24Å
661	R	85.3	Confident	76	Confident	200 Å²	200	45.1 Å²	45.1	76%	0.755	23%	0.232	S	C	*	.	H	α-helix	trans	-55.1	-48.8	178	-179.8	-178.7	179.8	-86.1	2.3	110.5	S659 Q663 F664 V665	S659-R661 VanDerWaalsContact C-N 3.27Å; S659-R661 PolarHBondContact O-N 3.04Å; R661-Q663 VanDerWaalsContact C-N 3.35Å; R661-Q663 PolarHBondContact O-N 3.38Å; R661-F664 PolarHBondContact O-N 3.36Å; R661-V665 WeakPolarHBondContact O-CB 3.43Å; R661-V665 VanDerWaalsContact O-CG2 3.26Å; R661-V665 WeakPolarHBondContact O-CG2 3.49Å; R661-V665 PolarHBondContact O-N 3.47Å
662	E	81.4	Confident	75.9	Confident	43 Å²	43	46.4 Å²	46.4	20%	0.201	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-44.3	177.2	-177.1	172.6	-133.2	0	0	111.7	R343 H658 S659 W660 F664 V665 E666	R343-E662 IonicContact NH2-OE1 2.9Å; R343-E662 PolarHBondContact NH2-OE1 3.42Å; R343-E662 VanDerWaalsContact NH2-OE1 3.16Å; H658-E662 IonicContact CD2-OE2 2.63Å; H658-E662 PolarHBondContact N-OE2 2.97Å; S659-E662 WeakPolarHBondContact O-CB 3.41Å; S659-E662 PolarHBondContact O-N 3.04Å; S659-E662 WeakPolarHBondContact OG-CB 3.37Å; S659-E662 PolarHBondContact OG-N 3Å; W660-E662 VanDerWaalsContact C-N 3.29Å; W660-E662 PolarHBondContact O-N 3.48Å; E662-F664 PolarHBondContact O-N 3.44Å; E662-V665 PolarHBondContact O-N 2.92Å; E662-E666 VanDerWaalsContact O-CB 3.24Å; E662-E666 WeakPolarHBondContact O-CB 3.32Å; E662-E666 PolarHBondContact O-N 3.5Å
663	Q	85.7	Confident	75.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-43.1	177.7	-62.9	-167.7	-1.8	0	0	113.7	R51 T657 S659 W660 R661 E666 A667 A706 V708 P710	R51-Q663 VanDerWaalsContact NH1-CD 3.25Å; T657-Q663 HydrophobicContact CG2-CG 3.94Å; T657-Q663 PolarHBondContact OG1-NE2 3.33Å; S659-Q663 WeakPolarHBondContact O-CG 3.36Å; S659-Q663 PolarHBondContact O-N 2.83Å; W660-Q663 WeakPolarHBondContact O-CB 3.43Å; W660-Q663 PolarHBondContact O-N 3Å; W660-Q663 VanDerWaalsContact O-N 3.12Å; R661-Q663 VanDerWaalsContact C-N 3.35Å; R661-Q663 PolarHBondContact O-N 3.38Å; Q663-E666 PolarHBondContact O-N 3.29Å; Q663-A667 VanDerWaalsContact O-CB 3.3Å; Q663-A667 WeakPolarHBondContact O-CB 3.15Å; Q663-A667 PolarHBondContact O-N 2.79Å; Q663-A706 HydrophobicContact CB-CB 4.24Å; Q663-V708 PolarHBondContact NE2-O 2.97Å; Q663-V708 PolarHBondContact OE1-O 3.26Å; Q663-P710 VanDerWaalsContact NE2-CA 3.33Å
664	F	88.8	Confident	75.3	Confident	80 Å²	80	46.9 Å²	46.9	35%	0.351	25%	0.253	S	S	.	.	H	α-helix	trans	-69.7	-39.3	179.6	-83.3	-73.2	0	0	0	112	W660 R661 E662 A667 V668 V703 A706	W660-F664 HydrophobicContact CB-CD2 4.47Å; W660-F664 HydrophobicContact CE3-CE2 4.05Å; W660-F664 VanDerWaalsContact O-CD2 3.26Å; W660-F664 WeakPolarHBondContact O-CD2 3.49Å; W660-F664 PolarHBondContact O-N 2.92Å; R661-F664 PolarHBondContact O-N 3.36Å; E662-F664 PolarHBondContact O-N 3.44Å; F664-A667 PolarHBondContact O-N 3.45Å; F664-V668 WeakPolarHBondContact O-CG2 3.27Å; F664-V668 PolarHBondContact O-N 3.5Å; F664-V703 HydrophobicContact CE1-CG1 4.4Å; F664-A706 HydrophobicContact CD1-CB 3.91Å; F664-A706 HydrophobicContact CE1-CB 3.91Å; F664-A706 WeakPolarHBondContact CE2-O 3.29Å; F664-A706 HydrophobicContact CG-CB 4.24Å; F664-A706 HydrophobicContact CZ-CB 4.24Å; F664-A706 VanDerWaalsContact CZ-O 3.27Å; F664-A706 WeakPolarHBondContact CZ-O 3.49Å
665	V	84.3	Confident	74.3	Confident	72 Å²	72	47.9 Å²	47.9	44%	0.436	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-48.8	173.1	172.8	0	0	0	0	109.4	R661 E662 A667 V668 T669	R661-V665 WeakPolarHBondContact O-CB 3.43Å; R661-V665 VanDerWaalsContact O-CG2 3.26Å; R661-V665 WeakPolarHBondContact O-CG2 3.49Å; R661-V665 PolarHBondContact O-N 3.47Å; E662-V665 PolarHBondContact O-N 2.92Å; V665-A667 VanDerWaalsContact C-N 3.28Å; V665-A667 PolarHBondContact O-N 2.72Å; V665-V668 PolarHBondContact O-N 2.87Å; V665-T669 HydrophobicContact CG1-CG2 3.99Å; V665-T669 WeakPolarHBondContact O-CG2 3.45Å; V665-T669 PolarHBondContact O-N 2.8Å; V665-T669 PolarHBondContact O-OG1 3.42Å; V665-T669 VanDerWaalsContact O-OG1 3.12Å
666	E	76.2	Confident	73.1	Confident	21 Å²	21	55.4 Å²	55.4	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-56.3	-42.3	177	178.9	180	-154.8	0	0	112.2	R51 R324 R335 E662 Q663 V668 T669	R51-E666 IonicContact CZ-OE2 3.11Å; R51-E666 IonicContact NH2-OE2 3.8Å; R51-E666 PolarHBondContact NH2-OE2 3.44Å; R324-E666 IonicContact NH1-OE1 3.15Å; R335-E666 IonicContact NH1-OE1 3.58Å; E662-E666 VanDerWaalsContact O-CB 3.24Å; E662-E666 WeakPolarHBondContact O-CB 3.32Å; E662-E666 PolarHBondContact O-N 3.5Å; Q663-E666 PolarHBondContact O-N 3.29Å; E666-V668 VanDerWaalsContact C-N 3.28Å; E666-V668 PolarHBondContact O-N 3.45Å; E666-T669 WeakPolarHBondContact CA-OG1 3.42Å; E666-T669 PolarHBondContact O-N 2.91Å; E666-T669 PolarHBondContact O-OG1 3.27Å; E666-T669 VanDerWaalsContact O-OG1 3.07Å
667	A	84.3	Confident	71.9	Confident	6 Å²	6	59.7 Å²	59.7	5%	0.05	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-33.2	-178.9	0	0	0	0	0	113.5	Q663 F664 V665 H695 K702 V703 A706	Q663-A667 VanDerWaalsContact O-CB 3.3Å; Q663-A667 WeakPolarHBondContact O-CB 3.15Å; Q663-A667 PolarHBondContact O-N 2.79Å; F664-A667 PolarHBondContact O-N 3.45Å; V665-A667 VanDerWaalsContact C-N 3.28Å; V665-A667 PolarHBondContact O-N 2.72Å; A667-H695 PolarHBondContact O-CE1 2.89Å; A667-H695 VanDerWaalsContact O-CE1 3.28Å; A667-K702 HydrophobicContact CB-CB 3.89Å; A667-K702 WeakPolarHBondContact O-CD 3.35Å; A667-V703 HydrophobicContact CB-CG2 4.34Å; A667-A706 HydrophobicContact CB-CB 4.09Å
668	V	85.8	Confident	70.4	Confident	93 Å²	93	69 Å²	69	56%	0.564	37%	0.368	S	S	*	.	H	α-helix	trans	-97.9	-18.4	-176	-177	0	0	0	0	112.3	F664 V665 E666 V703	F664-V668 WeakPolarHBondContact O-CG2 3.27Å; F664-V668 PolarHBondContact O-N 3.5Å; V665-V668 PolarHBondContact O-N 2.87Å; E666-V668 VanDerWaalsContact C-N 3.28Å; E666-V668 PolarHBondContact O-N 3.45Å; V668-V703 HydrophobicContact CG2-CG2 4.22Å
669	T	80.6	Confident	68.3	Low	52 Å²	52	74.2 Å²	74.2	32%	0.319	39%	0.393	S	S	.	.			trans	-78.5	143.7	175.8	56	0	0	0	0	113	R335 V665 E666 H695	R335-T669 PolarHBondContact NH2-OG1 3.38Å; V665-T669 HydrophobicContact CG1-CG2 3.99Å; V665-T669 WeakPolarHBondContact O-CG2 3.45Å; V665-T669 PolarHBondContact O-N 2.8Å; V665-T669 PolarHBondContact O-OG1 3.42Å; V665-T669 VanDerWaalsContact O-OG1 3.12Å; E666-T669 WeakPolarHBondContact CA-OG1 3.42Å; E666-T669 PolarHBondContact O-N 2.91Å; E666-T669 PolarHBondContact O-OG1 3.27Å; E666-T669 VanDerWaalsContact O-OG1 3.07Å; T669-H695 PolarHBondContact O-CE1 3.02Å; T669-H695 VanDerWaalsContact O-CE1 3.24Å; T669-H695 PolarHBondContact O-ND1 3.41Å
670	V	77.5	Confident	66.1	Low	40 Å²	40	80.6 Å²	80.6	24%	0.242	42%	0.418	C	S	.	.			trans	-104.2	130.4	169.4	-173.2	0	0	0	0	107.9	P687 D691 Y692 H695	V670-P687 HydrophobicContact CB-CG 4.37Å; V670-P687 HydrophobicContact CG1-CB 3.69Å; V670-P687 HydrophobicContact CG1-CG 3.82Å; V670-D691 HydrophobicContact CG1-CB 4.43Å; V670-Y692 HydrophobicContact CB-CD1 4.47Å; V670-Y692 HydrophobicContact CB-CE1 4.13Å; V670-Y692 HydrophobicContact CG1-CD1 4.2Å; V670-Y692 HydrophobicContact CG1-CE1 4.14Å; V670-Y692 HydrophobicContact CG2-CD1 3.96Å; V670-Y692 HydrophobicContact CG2-CE1 3.9Å; V670-H695 HydrophobicContact CG2-CB 3.95Å
671	S	67.4	Low	64.2	Low	29 Å²	29	80.3 Å²	80.3	20%	0.203	44%	0.441	C	S	.	.			trans	-113.4	140.7	173.5	-55.7	0	0	0	0	108.9	G328 R335	G328-S671 PolarHBondContact O-N 3.21Å; R335-S671 PolarHBondContact NH1-OG 3.04Å
672	A	57.5	Low	61.9	Low	33 Å²	33	82.1 Å²	82.1	27%	0.273	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-67.2	137	178.9	0	0	0	0	0	111.8	R685 P687	A672-R685 WeakPolarHBondContact CB-O 3.42Å; A672-P687 HydrophobicContact CB-CB 4.3Å; A672-P687 HydrophobicContact CB-CG 4.29Å
673	G	53.4	Low	59.9	Low	34 Å²	34	88.8 Å²	88.8	35%	0.351	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-66.6	157.1	175.3	0	0	0	0	0	113.5	G675 D691	G673-G675 PolarHBondContact O-N 3.39Å; G673-D691 PolarHBondContact N-OD2 3.33Å; G673-D691 VanDerWaalsContact N-OD2 3.09Å
674	D	50.6	Low	58	Low	59 Å²	59	95.2 Å²	95.2	32%	0.316	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-63.8	118.4	179.6	-130.2	-10.3	0	0	0	110.3	M325 N331 K334	M325-D674 HydrophobicContact CE-CB 3.74Å; N331-D674 PolarHBondContact ND2-OD2 3.25Å; K334-D674 IonicContact NZ-OD1 2.6Å; K334-D674 PolarHBondContact NZ-OD1 3.16Å
675	G	43.6	Very low	56.2	Low	30 Å²	30	98.7 Å²	98.7	31%	0.309	52%	0.52	S	S	.	.			trans	-107	130.4	160.6	0	0	0	0	0	108.4	G673 D677	G673-G675 PolarHBondContact O-N 3.39Å; G675-D677 PolarHBondContact O-N 3.46Å
676	D	40.1	Very low	55.1	Low	158 Å²	158	102.6 Å²	102.6	85%	0.845	54%	0.537	S	S	*	.			trans	-66.6	32.6	-171.9	-75.5	-30	0	0	0	116
677	D	39.3	Very low	54.6	Low	102 Å²	102	102.7 Å²	102.7	55%	0.545	54%	0.54	S	S	.	.			trans	-103	102.6	178	-55.9	-42.8	0	0	0	109.8	G675 E679 R685	G675-D677 PolarHBondContact O-N 3.46Å; D677-E679 PolarHBondContact O-N 2.89Å; D677-R685 IonicContact OD2-CZ 3.16Å; D677-R685 IonicContact OD2-NH1 3.16Å; D677-R685 PolarHBondContact OD2-NH1 3.43Å; D677-R685 IonicContact OD2-NH2 3.73Å; D677-R685 PolarHBondContact OD2-NH2 3.35Å
678	E	44.1	Very low	54.1	Low	200 Å²	200	105.6 Å²	105.6	94%	0.935	56%	0.56	S	S	*	*			trans	-73.3	31.6	171.3	-65.1	-175.6	158.8	0	0	112.7
679	E	36.8	Very low	53.8	Low	173 Å²	173	106.2 Å²	106.2	81%	0.808	57%	0.567	S	S	*	*			trans	-95.9	109.8	176.6	-86.2	-176.7	169.5	0	0	110.7	D677	D677-E679 PolarHBondContact O-N 2.89Å
680	E	38.2	Very low	53.6	Low	182 Å²	182	110.4 Å²	110.4	85%	0.85	58%	0.578	S	S	*	*			trans	45.9	132.8	146.1	-67.8	-178.8	159	0	0	119.7
681	G	47	Very low	53.6	Low	78 Å²	78	109.2 Å²	109.2	80%	0.804	57%	0.57	S	S	*	*	S	Bend	trans	-49.7	145.7	-175.4	0	0	0	0	0	115
682	R	38.3	Very low	54.3	Low	239 Å²	239	113.6 Å²	113.6	90%	0.902	58%	0.583	S	S	*	*			trans	84.3	88.8	-177.8	-65.9	-178.8	164.8	143.2	-2.4	115.1
683	E	38.4	Very low	55.6	Low	182 Å²	182	116 Å²	116	85%	0.85	59%	0.594	S	S	*	*				176.3	131	107.4	-93.4	173.7	-177.5	0	0	108	R685	E683-R685 PolarHBondContact O-N 3.45Å
684	E	46.4	Very low	56.9	Low	137 Å²	137	115.8 Å²	115.8	64%	0.64	58%	0.584	S	S	*	*			trans	-57.8	103.7	165.1	-73.4	179.7	178.6	0	0	107.1	R342 L686	R342-E684 IonicContact CZ-OE1 2.8Å; R342-E684 IonicContact NE-OE1 3.95Å; R342-E684 IonicContact NH2-OE1 3.96Å; R342-E684 PolarHBondContact NH2-OE1 3.09Å; R342-E684 IonicContact NH2-OE2 3.47Å; R342-E684 PolarHBondContact NH2-OE2 2.83Å; R342-E684 VanDerWaalsContact NH2-OE2 3.16Å; E684-L686 PolarHBondContact O-N 3.37Å
685	R	51.3	Low	58.5	Low	152 Å²	152	113.9 Å²	113.9	57%	0.574	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-51.9	132	170.7	-97.5	-178.9	176.3	162.5	0.7	107.4	A672 D677 E683	A672-R685 WeakPolarHBondContact CB-O 3.42Å; D677-R685 IonicContact OD2-CZ 3.16Å; D677-R685 IonicContact OD2-NH1 3.16Å; D677-R685 PolarHBondContact OD2-NH1 3.43Å; D677-R685 IonicContact OD2-NH2 3.73Å; D677-R685 PolarHBondContact OD2-NH2 3.35Å; E683-R685 PolarHBondContact O-N 3.45Å
686	L	59.6	Low	60.6	Low	154 Å²	154	120.3 Å²	120.3	81%	0.806	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-62.2	145	174.2	-71.2	163.7	0	0	0	109.7	E684	E684-L686 PolarHBondContact O-N 3.37Å
687	P	66.9	Low	62.8	Low	24 Å²	24	116.6 Å²	116.6	16%	0.156	57%	0.573	C	S	.	*	P	Polyproline II helix	trans	-59.7	142.7	-178.1	-17.4	27.6	0	0	0	112	V670 A672 D691 Y692	V670-P687 HydrophobicContact CB-CG 4.37Å; V670-P687 HydrophobicContact CG1-CB 3.69Å; V670-P687 HydrophobicContact CG1-CG 3.82Å; A672-P687 HydrophobicContact CB-CB 4.3Å; A672-P687 HydrophobicContact CB-CG 4.29Å; P687-D691 HydrophobicContact CB-CB 4.14Å; P687-Y692 HydrophobicContact CB-CD2 4.1Å; P687-Y692 HydrophobicContact CB-CE2 3.6Å; P687-Y692 HydrophobicContact CG-CE2 3.98Å; P687-Y692 WeakPolarHBondContact O-CE2 3.27Å
688	S	73.1	Confident	65.2	Low	66 Å²	66	111.8 Å²	111.8	46%	0.462	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-67.2	154	177.3	177	0	0	0	0	110.6	Y690 D691 Y692	S688-Y690 PolarHBondContact O-N 3.15Å; S688-Y690 VanDerWaalsContact O-N 3.11Å; S688-Y690 PolarHBondContact OG-N 3.17Å; S688-D691 PolarHBondContact N-OD2 3.07Å; S688-D691 VanDerWaalsContact N-OD2 3.07Å; S688-D691 WeakPolarHBondContact O-CA 3.36Å; S688-D691 WeakPolarHBondContact O-CB 3.43Å; S688-D691 PolarHBondContact O-N 3.37Å; S688-Y692 WeakPolarHBondContact O-CD2 3.01Å; S688-Y692 PolarHBondContact O-N 2.82Å
689	C	78.8	Confident	67.4	Low	106 Å²	106	104.3 Å²	104.3	72%	0.716	52%	0.515	S	S	*	.	H	α-helix	trans	-53.3	-33.3	172	-65.9	0	0	0	0	112.2	Y692 V693	C689-Y692 PolarHBondContact O-N 2.9Å; C689-V693 WeakPolarHBondContact O-CG2 3.44Å; C689-V693 PolarHBondContact O-N 3.43Å; C689-V693 VanDerWaalsContact O-N 3.09Å
690	Y	77.8	Confident	70.1	Confident	141 Å²	141	101.4 Å²	101.4	55%	0.553	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-40.9	174.4	178.2	-97.3	0	0	0	112.2	S688 Y692 V693 M694	S688-Y690 PolarHBondContact O-N 3.15Å; S688-Y690 VanDerWaalsContact O-N 3.11Å; S688-Y690 PolarHBondContact OG-N 3.17Å; Y690-Y692 VanDerWaalsContact C-N 3.35Å; Y690-Y692 PolarHBondContact O-N 2.92Å; Y690-V693 PolarHBondContact O-N 3.26Å; Y690-M694 HydrophobicContact CD1-CG 4.09Å; Y690-M694 HydrophobicContact CD2-CG 4.38Å; Y690-M694 HydrophobicContact CE1-CG 3.61Å; Y690-M694 HydrophobicContact CE2-CG 3.94Å; Y690-M694 HydrophobicContact CE2-SD 4.22Å; Y690-M694 HydrophobicContact CG-CG 4.46Å; Y690-M694 WeakPolarHBondContact O-CB 3.17Å; Y690-M694 WeakPolarHBondContact O-CG 3.49Å; Y690-M694 PolarHBondContact O-N 3.25Å
691	D	77.3	Confident	72.7	Confident	15 Å²	15	93.4 Å²	93.4	8%	0.08	46%	0.462	C	S	.	.	H	α-helix	trans	-65.1	-40.2	179.4	-60.2	-30.7	0	0	0	111	V670 G673 P687 S688 M694 H695	V670-D691 HydrophobicContact CG1-CB 4.43Å; G673-D691 PolarHBondContact N-OD2 3.33Å; G673-D691 VanDerWaalsContact N-OD2 3.09Å; P687-D691 HydrophobicContact CB-CB 4.14Å; S688-D691 PolarHBondContact N-OD2 3.07Å; S688-D691 VanDerWaalsContact N-OD2 3.07Å; S688-D691 WeakPolarHBondContact O-CA 3.36Å; S688-D691 WeakPolarHBondContact O-CB 3.43Å; S688-D691 PolarHBondContact O-N 3.37Å; D691-M694 PolarHBondContact O-N 2.95Å; D691-H695 VanDerWaalsContact O-CB 3.26Å; D691-H695 WeakPolarHBondContact O-CB 3.41Å; D691-H695 PolarHBondContact O-N 3.07Å
692	Y	81.8	Confident	74.7	Confident	120 Å²	120	90.7 Å²	90.7	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-64.6	-42.1	174.1	-77.8	-71.1	0	0	0	112.8	V670 P687 S688 C689 Y690 H695 F696	V670-Y692 HydrophobicContact CB-CD1 4.47Å; V670-Y692 HydrophobicContact CB-CE1 4.13Å; V670-Y692 HydrophobicContact CG1-CD1 4.2Å; V670-Y692 HydrophobicContact CG1-CE1 4.14Å; V670-Y692 HydrophobicContact CG2-CD1 3.96Å; V670-Y692 HydrophobicContact CG2-CE1 3.9Å; P687-Y692 HydrophobicContact CB-CD2 4.1Å; P687-Y692 HydrophobicContact CB-CE2 3.6Å; P687-Y692 HydrophobicContact CG-CE2 3.98Å; P687-Y692 WeakPolarHBondContact O-CE2 3.27Å; S688-Y692 WeakPolarHBondContact O-CD2 3.01Å; S688-Y692 PolarHBondContact O-N 2.82Å; C689-Y692 PolarHBondContact O-N 2.9Å; Y690-Y692 VanDerWaalsContact C-N 3.35Å; Y690-Y692 PolarHBondContact O-N 2.92Å; Y692-H695 PolarHBondContact O-N 2.97Å; Y692-F696 WeakPolarHBondContact O-CB 3.41Å; Y692-F696 PolarHBondContact O-N 3.06Å
693	V	84.4	Confident	77.3	Confident	83 Å²	83	82 Å²	82	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-46.4	176.7	170.4	0	0	0	0	110.6	C689 Y690 H695 F696 L697	C689-V693 WeakPolarHBondContact O-CG2 3.44Å; C689-V693 PolarHBondContact O-N 3.43Å; C689-V693 VanDerWaalsContact O-N 3.09Å; Y690-V693 PolarHBondContact O-N 3.26Å; V693-H695 VanDerWaalsContact C-N 3.33Å; V693-H695 PolarHBondContact O-N 3.49Å; V693-F696 PolarHBondContact O-N 3.05Å; V693-L697 HydrophobicContact CG1-CD1 4.1Å; V693-L697 WeakPolarHBondContact O-CG 3.12Å; V693-L697 PolarHBondContact O-N 3.36Å
694	M	81.4	Confident	79.9	Confident	30 Å²	30	77.2 Å²	77.2	15%	0.148	38%	0.381	C	S	.	.	H	α-helix	trans	-64.1	-39.1	177.2	-70.8	-55.2	-68.5	0	0	111.6	M326 Y690 D691 L697 T698	M326-M694 WeakPolarHBondContact O-CE 3.36Å; Y690-M694 HydrophobicContact CD1-CG 4.09Å; Y690-M694 HydrophobicContact CD2-CG 4.38Å; Y690-M694 HydrophobicContact CE1-CG 3.61Å; Y690-M694 HydrophobicContact CE2-CG 3.94Å; Y690-M694 HydrophobicContact CE2-SD 4.22Å; Y690-M694 HydrophobicContact CG-CG 4.46Å; Y690-M694 WeakPolarHBondContact O-CB 3.17Å; Y690-M694 WeakPolarHBondContact O-CG 3.49Å; Y690-M694 PolarHBondContact O-N 3.25Å; D691-M694 PolarHBondContact O-N 2.95Å; M694-L697 PolarHBondContact O-N 2.79Å; M694-L697 HydrophobicContact SD-CD1 4.46Å; M694-T698 WeakPolarHBondContact O-CB 3.45Å; M694-T698 WeakPolarHBondContact O-CG2 3.48Å; M694-T698 PolarHBondContact O-N 3.12Å; M694-T698 VanDerWaalsContact O-N 3.12Å; M694-T698 PolarHBondContact O-OG1 2.73Å
695	H	83.9	Confident	82.1	Confident	19 Å²	19	71 Å²	71	9%	0.088	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-48.1	173.8	-175.9	98.9	0	0	0	111.2	A667 T669 V670 D691 Y692 V693 L697 T698 V699 K702	A667-H695 PolarHBondContact O-CE1 2.89Å; A667-H695 VanDerWaalsContact O-CE1 3.28Å; T669-H695 PolarHBondContact O-CE1 3.02Å; T669-H695 VanDerWaalsContact O-CE1 3.24Å; T669-H695 PolarHBondContact O-ND1 3.41Å; V670-H695 HydrophobicContact CG2-CB 3.95Å; D691-H695 VanDerWaalsContact O-CB 3.26Å; D691-H695 WeakPolarHBondContact O-CB 3.41Å; D691-H695 PolarHBondContact O-N 3.07Å; Y692-H695 PolarHBondContact O-N 2.97Å; V693-H695 VanDerWaalsContact C-N 3.33Å; V693-H695 PolarHBondContact O-N 3.49Å; H695-L697 VanDerWaalsContact C-N 3.33Å; H695-L697 PolarHBondContact O-N 2.96Å; H695-T698 WeakPolarHBondContact CA-OG1 3.34Å; H695-T698 CarbonylContact O-C 3.38Å; H695-T698 PolarHBondContact O-N 2.97Å; H695-T698 PolarHBondContact O-OG1 3.15Å; H695-T698 VanDerWaalsContact O-OG1 3.12Å; H695-V699 WeakPolarHBondContact O-CB 3.34Å; H695-V699 PolarHBondContact O-N 3.44Å; H695-K702 PolarHBondContact ND1-NZ 3.42Å; H695-K702 VanDerWaalsContact ND1-NZ 3.17Å
696	F	87.3	Confident	83.9	Confident	165 Å²	165	63.8 Å²	63.8	72%	0.724	33%	0.326	S	S	*	.	H	α-helix	trans	-60.9	-39.9	179.2	-177.2	-97.1	0	0	0	112.7	Y692 V693 T698 V699	Y692-F696 WeakPolarHBondContact O-CB 3.41Å; Y692-F696 PolarHBondContact O-N 3.06Å; V693-F696 PolarHBondContact O-N 3.05Å; F696-T698 VanDerWaalsContact C-N 3.26Å; F696-T698 PolarHBondContact O-N 3.33Å; F696-V699 WeakPolarHBondContact O-CG1 3.36Å
697	L	87.2	Confident	85.4	Confident	81 Å²	81	60.2 Å²	60.2	42%	0.424	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-29	176.2	-71.5	173.1	0	0	0	112.7	Y40 V693 M694 H695	Y40-L697 WeakPolarHBondContact CE2-O 3.42Å; V693-L697 HydrophobicContact CG1-CD1 4.1Å; V693-L697 WeakPolarHBondContact O-CG 3.12Å; V693-L697 PolarHBondContact O-N 3.36Å; M694-L697 PolarHBondContact O-N 2.79Å; M694-L697 HydrophobicContact SD-CD1 4.46Å; H695-L697 VanDerWaalsContact C-N 3.33Å; H695-L697 PolarHBondContact O-N 2.96Å
698	T	88.9	Confident	86.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-105.1	-13.3	-170.9	58.5	0	0	0	0	113.7	L43 I47 I327 M694 H695 F696 F700 W701 K702	L43-T698 HydrophobicContact CD1-CG2 3.96Å; L43-T698 HydrophobicContact CD2-CG2 3.62Å; L43-T698 HydrophobicContact CG-CG2 3.94Å; I47-T698 HydrophobicContact CD1-CG2 4.08Å; I327-T698 HydrophobicContact CG2-CG2 3.54Å; I327-T698 WeakPolarHBondContact CG2-OG1 3.26Å; M694-T698 WeakPolarHBondContact O-CB 3.45Å; M694-T698 WeakPolarHBondContact O-CG2 3.48Å; M694-T698 PolarHBondContact O-N 3.12Å; M694-T698 VanDerWaalsContact O-N 3.12Å; M694-T698 PolarHBondContact O-OG1 2.73Å; H695-T698 WeakPolarHBondContact CA-OG1 3.34Å; H695-T698 CarbonylContact O-C 3.38Å; H695-T698 PolarHBondContact O-N 2.97Å; H695-T698 PolarHBondContact O-OG1 3.15Å; H695-T698 VanDerWaalsContact O-OG1 3.12Å; F696-T698 VanDerWaalsContact C-N 3.26Å; F696-T698 PolarHBondContact O-N 3.33Å; T698-F700 VanDerWaalsContact C-N 3.25Å; T698-F700 PolarHBondContact O-N 3.03Å; T698-W701 WeakPolarHBondContact O-CB 3.1Å; T698-W701 PolarHBondContact O-N 2.73Å; T698-K702 PolarHBondContact O-N 3.27Å
699	V	90.2	Very high	87.6	Confident	43 Å²	43	57 Å²	57	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-38.3	-173.8	71.8	0	0	0	0	112.3	H695 F696 W701 K702 V703	H695-V699 WeakPolarHBondContact O-CB 3.34Å; H695-V699 PolarHBondContact O-N 3.44Å; F696-V699 WeakPolarHBondContact O-CG1 3.36Å; V699-W701 PolarHBondContact O-N 3.35Å; V699-K702 PolarHBondContact O-N 2.96Å; V699-V703 HydrophobicContact CG2-CG2 4.18Å; V699-V703 WeakPolarHBondContact O-CB 3.44Å; V699-V703 WeakPolarHBondContact O-CG2 3.28Å; V699-V703 PolarHBondContact O-N 2.95Å
700	F	93.4	Very high	88.2	Confident	113 Å²	113	52 Å²	52	50%	0.496	26%	0.256	S	S	.	.	H	α-helix	trans	-56.1	-50.9	174.8	169.4	-100.7	0	0	0	111.4	Y40 T698 L704	Y40-F700 HydrophobicContact CE1-CD1 4.3Å; Y40-F700 WeakPolarHBondContact OH-CD1 3.28Å; T698-F700 VanDerWaalsContact C-N 3.25Å; T698-F700 PolarHBondContact O-N 3.03Å; F700-L704 HydrophobicContact CE1-CD2 4.42Å; F700-L704 HydrophobicContact CZ-CD2 4.4Å; F700-L704 VanDerWaalsContact O-CB 3.3Å; F700-L704 WeakPolarHBondContact O-CB 3.48Å; F700-L704 PolarHBondContact O-N 3.38Å
701	W	93	Very high	88.6	Confident	13 Å²	13	45.4 Å²	45.4	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-40	178.1	-68	123.5	0	0	0	112.1	Y40 M41 I47 T698 V699 L704 F705 L730	Y40-W701 AromaticContact CD1-CZ2 3.94Å; Y40-W701 HydrophobicContact CD1-CZ2 3.94Å; Y40-W701 AromaticContact CD1-NE1 3.71Å; Y40-W701 AromaticContact CE1-CE2 3.65Å; Y40-W701 AromaticContact CE1-CZ2 3.73Å; Y40-W701 HydrophobicContact CE1-CZ2 3.73Å; Y40-W701 AromaticContact CE1-NE1 3.27Å; Y40-W701 VanDerWaalsContact CE1-NE1 3.27Å; Y40-W701 AromaticContact CE2-NE1 3.68Å; Y40-W701 AromaticContact CZ-CD1 3.81Å; Y40-W701 AromaticContact CZ-NE1 3.26Å; Y40-W701 VanDerWaalsContact CZ-NE1 3.26Å; Y40-W701 PolarHBondContact O-NE1 2.94Å; M41-W701 HydrophobicContact CE-CH2 4.14Å; M41-W701 HydrophobicContact SD-CH2 3.71Å; M41-W701 HydrophobicContact SD-CZ2 3.68Å; I47-W701 HydrophobicContact CD1-CB 3.44Å; I47-W701 VanDerWaalsContact CD1-CB 3.44Å; I47-W701 HydrophobicContact CD1-CG 4.06Å; T698-W701 WeakPolarHBondContact O-CB 3.1Å; T698-W701 PolarHBondContact O-N 2.73Å; V699-W701 PolarHBondContact O-N 3.35Å; W701-L704 HydrophobicContact CE3-CD2 3.86Å; W701-L704 HydrophobicContact CZ3-CD2 3.8Å; W701-L704 PolarHBondContact O-N 2.89Å; W701-F705 HydrophobicContact CB-CD2 4.18Å; W701-F705 HydrophobicContact CB-CE2 3.84Å; W701-F705 HydrophobicContact CD2-CE2 4.17Å; W701-F705 HydrophobicContact CD2-CZ 4.16Å; W701-F705 HydrophobicContact CE3-CE1 4.05Å; W701-F705 AromaticContact CE3-CE2 3.71Å; W701-F705 HydrophobicContact CE3-CE2 3.71Å; W701-F705 AromaticContact CE3-CZ 3.29Å; W701-F705 HydrophobicContact CE3-CZ 3.29Å; W701-F705 HydrophobicContact CG-CE2 4.28Å; W701-F705 HydrophobicContact CZ3-CE1 4.37Å; W701-F705 AromaticContact CZ3-CZ 3.79Å; W701-F705 HydrophobicContact CZ3-CZ 3.79Å; W701-F705 WeakPolarHBondContact O-CB 3.27Å; W701-F705 WeakPolarHBondContact O-CD2 3.45Å; W701-F705 VanDerWaalsContact O-CG 3.25Å; W701-F705 WeakPolarHBondContact O-CG 3.01Å; W701-F705 PolarHBondContact O-N 2.86Å; W701-L730 HydrophobicContact CH2-CD2 3.78Å; W701-L730 HydrophobicContact CZ3-CD2 3.79Å
702	K	89.8	Confident	89	Confident	21 Å²	21	48.9 Å²	48.9	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-48.5	177.4	-72.6	-173.5	-178	179.7	0	111.8	I327 A667 H695 T698 V699 F705 A706	I327-K702 HydrophobicContact CG2-CD 4.28Å; I327-K702 HydrophobicContact CG2-CG 4.29Å; I327-K702 WeakPolarHBondContact O-CE 3.48Å; I327-K702 PolarHBondContact O-NZ 2.76Å; A667-K702 HydrophobicContact CB-CB 3.89Å; A667-K702 WeakPolarHBondContact O-CD 3.35Å; H695-K702 PolarHBondContact ND1-NZ 3.42Å; H695-K702 VanDerWaalsContact ND1-NZ 3.17Å; T698-K702 PolarHBondContact O-N 3.27Å; V699-K702 PolarHBondContact O-N 2.96Å; K702-F705 PolarHBondContact O-N 2.94Å; K702-A706 VanDerWaalsContact O-CB 3.3Å; K702-A706 WeakPolarHBondContact O-CB 3.18Å; K702-A706 PolarHBondContact O-N 3.37Å
703	V	91.8	Very high	89.2	Confident	56 Å²	56	49.1 Å²	49.1	34%	0.339	25%	0.247	S	C	.	.	H	α-helix	trans	-67.7	-39.9	179.4	174.3	0	0	0	0	110.7	F664 A667 V668 V699 A706	F664-V703 HydrophobicContact CE1-CG1 4.4Å; A667-V703 HydrophobicContact CB-CG2 4.34Å; V668-V703 HydrophobicContact CG2-CG2 4.22Å; V699-V703 HydrophobicContact CG2-CG2 4.18Å; V699-V703 WeakPolarHBondContact O-CB 3.44Å; V699-V703 WeakPolarHBondContact O-CG2 3.28Å; V699-V703 PolarHBondContact O-N 2.95Å; V703-A706 PolarHBondContact O-N 3.11Å
704	L	93.2	Very high	89.4	Confident	82 Å²	82	54.4 Å²	54.4	43%	0.429	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-43.3	176.6	-175.5	67.8	0	0	0	112.1	F700 W701 C707	F700-L704 HydrophobicContact CE1-CD2 4.42Å; F700-L704 HydrophobicContact CZ-CD2 4.4Å; F700-L704 VanDerWaalsContact O-CB 3.3Å; F700-L704 WeakPolarHBondContact O-CB 3.48Å; F700-L704 PolarHBondContact O-N 3.38Å; W701-L704 HydrophobicContact CE3-CD2 3.86Å; W701-L704 HydrophobicContact CZ3-CD2 3.8Å; W701-L704 PolarHBondContact O-N 2.89Å; L704-C707 VanDerWaalsContact O-CB 3.28Å; L704-C707 WeakPolarHBondContact O-CB 3.5Å; L704-C707 PolarHBondContact O-N 2.89Å
705	F	92.8	Very high	89.7	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-84.7	-11.2	-179.3	-56	-35.5	0	0	0	113.6	G44 I47 I48 W701 K702 C707 V708 V726 L730	G44-F705 VanDerWaalsContact O-CE2 3.23Å; G44-F705 WeakPolarHBondContact O-CE2 3.48Å; I47-F705 HydrophobicContact CB-CD2 4.02Å; I47-F705 HydrophobicContact CB-CE2 4.11Å; I47-F705 HydrophobicContact CG2-CD2 3.74Å; I47-F705 HydrophobicContact CG2-CE2 4.32Å; I48-F705 HydrophobicContact CB-CD1 4.34Å; I48-F705 HydrophobicContact CB-CD2 3.97Å; I48-F705 HydrophobicContact CB-CE1 4.24Å; I48-F705 HydrophobicContact CB-CE2 3.85Å; I48-F705 HydrophobicContact CB-CG 4.22Å; I48-F705 HydrophobicContact CB-CZ 3.99Å; I48-F705 HydrophobicContact CD1-CB 4.25Å; I48-F705 HydrophobicContact CD1-CD1 3.98Å; I48-F705 HydrophobicContact CD1-CG 4.01Å; I48-F705 HydrophobicContact CG2-CE2 4.38Å; I48-F705 HydrophobicContact CG2-CZ 4.32Å; W701-F705 HydrophobicContact CB-CD2 4.18Å; W701-F705 HydrophobicContact CB-CE2 3.84Å; W701-F705 HydrophobicContact CD2-CE2 4.17Å; W701-F705 HydrophobicContact CD2-CZ 4.16Å; W701-F705 HydrophobicContact CE3-CE1 4.05Å; W701-F705 AromaticContact CE3-CE2 3.71Å; W701-F705 HydrophobicContact CE3-CE2 3.71Å; W701-F705 AromaticContact CE3-CZ 3.29Å; W701-F705 HydrophobicContact CE3-CZ 3.29Å; W701-F705 HydrophobicContact CG-CE2 4.28Å; W701-F705 HydrophobicContact CZ3-CE1 4.37Å; W701-F705 AromaticContact CZ3-CZ 3.79Å; W701-F705 HydrophobicContact CZ3-CZ 3.79Å; W701-F705 WeakPolarHBondContact O-CB 3.27Å; W701-F705 WeakPolarHBondContact O-CD2 3.45Å; W701-F705 VanDerWaalsContact O-CG 3.25Å; W701-F705 WeakPolarHBondContact O-CG 3.01Å; W701-F705 PolarHBondContact O-N 2.86Å; K702-F705 PolarHBondContact O-N 2.94Å; F705-C707 PolarHBondContact O-N 3.34Å; F705-V708 HydrophobicContact CB-CG2 4.44Å; F705-V708 VanDerWaalsContact O-CB 3.28Å; F705-V708 WeakPolarHBondContact O-CB 3.4Å; F705-V708 WeakPolarHBondContact O-CG2 3.47Å; F705-V708 PolarHBondContact O-N 3.01Å; F705-V726 HydrophobicContact CD1-CG1 4.09Å; F705-V726 HydrophobicContact CE1-CG1 3.55Å; F705-V726 HydrophobicContact CZ-CG1 4.37Å; F705-L730 HydrophobicContact CE1-CD1 4.25Å; F705-L730 HydrophobicContact CZ-CD1 3.7Å
706	A	90.1	Very high	89.8	Confident	2 Å²	2	56.8 Å²	56.8	2%	0.017	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	3.3	160.8	0	0	0	0	0	112.4	W660 Q663 F664 A667 K702 V703	W660-A706 WeakPolarHBondContact CZ3-O 3.39Å; Q663-A706 HydrophobicContact CB-CB 4.24Å; F664-A706 HydrophobicContact CD1-CB 3.91Å; F664-A706 HydrophobicContact CE1-CB 3.91Å; F664-A706 WeakPolarHBondContact CE2-O 3.29Å; F664-A706 HydrophobicContact CG-CB 4.24Å; F664-A706 HydrophobicContact CZ-CB 4.24Å; F664-A706 VanDerWaalsContact CZ-O 3.27Å; F664-A706 WeakPolarHBondContact CZ-O 3.49Å; A667-A706 HydrophobicContact CB-CB 4.09Å; K702-A706 VanDerWaalsContact O-CB 3.3Å; K702-A706 WeakPolarHBondContact O-CB 3.18Å; K702-A706 PolarHBondContact O-N 3.37Å; V703-A706 PolarHBondContact O-N 3.11Å
707	C	91	Very high	90	Very high	79 Å²	79	53.6 Å²	53.6	53%	0.534	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11.6	163.6	-60.3	0	0	0	0	113.2	W660 L704 F705	W660-C707 WeakPolarHBondContact CH2-O 2.96Å; L704-C707 VanDerWaalsContact O-CB 3.28Å; L704-C707 WeakPolarHBondContact O-CB 3.5Å; L704-C707 PolarHBondContact O-N 2.89Å; F705-C707 PolarHBondContact O-N 3.34Å
708	V	93.1	Very high	90.2	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	24%	0.244	C	C	.	.	S	Bend	trans	-91.7	132	169.5	176.9	0	0	0	0	110.3	I48 W660 Q663 F705 V722 S723	I48-V708 HydrophobicContact CD1-CG2 3.74Å; W660-V708 VanDerWaalsContact CH2-O 3.23Å; W660-V708 WeakPolarHBondContact CH2-O 3.3Å; W660-V708 VanDerWaalsContact CZ3-C 3.41Å; W660-V708 VanDerWaalsContact CZ3-N 3.33Å; W660-V708 WeakPolarHBondContact CZ3-O 3.47Å; Q663-V708 PolarHBondContact NE2-O 2.97Å; Q663-V708 PolarHBondContact OE1-O 3.26Å; F705-V708 HydrophobicContact CB-CG2 4.44Å; F705-V708 VanDerWaalsContact O-CB 3.28Å; F705-V708 WeakPolarHBondContact O-CB 3.4Å; F705-V708 WeakPolarHBondContact O-CG2 3.47Å; F705-V708 PolarHBondContact O-N 3.01Å; V708-V722 HydrophobicContact CG1-CB 4.37Å; V708-V722 HydrophobicContact CG1-CG1 4.21Å; V708-V722 HydrophobicContact CG2-CG1 4.25Å; V708-S723 WeakPolarHBondContact CG1-OG 3.45Å
709	P	93	Very high	90.4	Very high	19 Å²	19	50.9 Å²	50.9	12%	0.123	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-54.5	143.2	-172.8	19.3	-31.6	0	0	0	112.8	W660 A718 C719 V722	W660-P709 VanDerWaalsContact CH2-N 3.31Å; W660-P709 HydrophobicContact CZ2-CB 4.23Å; P709-A718 HydrophobicContact CB-CB 4.3Å; P709-A718 HydrophobicContact CG-CB 4.09Å; P709-C719 WeakPolarHBondContact O-CB 3.37Å; P709-V722 HydrophobicContact CG-CB 4.2Å; P709-V722 HydrophobicContact CG-CG2 3.87Å
710	P	91.1	Very high	90.5	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-54.1	148.6	176	-23.9	32.8	0	0	0	112.8	T657 W660 Q663 E712 Y713	T657-P710 VanDerWaalsContact O-CB 3.3Å; T657-P710 WeakPolarHBondContact O-CB 3.25Å; W660-P710 HydrophobicContact CD2-CG 4.32Å; W660-P710 HydrophobicContact CG-CG 4.24Å; Q663-P710 VanDerWaalsContact NE2-CA 3.33Å; P710-E712 PolarHBondContact O-N 3.48Å; P710-Y713 HydrophobicContact CB-CD1 3.97Å; P710-Y713 HydrophobicContact CB-CE1 4.27Å; P710-Y713 HydrophobicContact CG-CD1 4.17Å; P710-Y713 HydrophobicContact CG-CE1 4.09Å; P710-Y713 WeakPolarHBondContact O-CB 3.19Å; P710-Y713 PolarHBondContact O-N 3.02Å; P710-Y713 VanDerWaalsContact O-N 3.07Å
711	T	86.8	Confident	90.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.2	-173.9	51.6	0	0	0	0	113	A54 G656 T657 Y713 G716 C719	A54-T711 HydrophobicContact CB-CG2 4.09Å; G656-T711 WeakPolarHBondContact CA-OG1 3.18Å; T657-T711 PolarHBondContact N-OG1 2.88Å; T657-T711 PolarHBondContact O-N 2.9Å; T657-T711 PolarHBondContact O-OG1 2.66Å; T657-T711 PolarHBondContact OG1-N 3.06Å; T711-Y713 PolarHBondContact O-N 3.31Å; T711-G716 WeakPolarHBondContact O-CA 3.42Å; T711-G716 PolarHBondContact O-N 3.43Å; T711-C719 HydrophobicContact CG2-CB 4.26Å
712	E	84.8	Confident	90.6	Very high	88 Å²	88	50.8 Å²	50.8	41%	0.411	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.2	171.9	-69.6	-162.3	132.7	0	0	113.1	H658 P710 W714 N715	H658-E712 VanDerWaalsContact CA-OE2 3.29Å; H658-E712 WeakPolarHBondContact CA-OE2 3.06Å; H658-E712 WeakPolarHBondContact CB-OE2 3.48Å; H658-E712 IonicContact CE1-OE1 3.58Å; H658-E712 PolarHBondContact CE1-OE1 2.95Å; H658-E712 IonicContact CG-OE1 2.73Å; H658-E712 IonicContact CG-OE2 3.69Å; H658-E712 IonicContact ND1-OE1 3.44Å; H658-E712 PolarHBondContact ND1-OE1 2.91Å; H658-E712 IonicContact ND1-OE2 3.65Å; H658-E712 PolarHBondContact ND1-OE2 3.41Å; H658-E712 VanDerWaalsContact ND1-OE2 3.16Å; P710-E712 PolarHBondContact O-N 3.48Å; E712-W714 PolarHBondContact O-N 2.99Å; E712-W714 VanDerWaalsContact O-N 3.12Å; E712-N715 PolarHBondContact O-N 3.35Å; E712-N715 VanDerWaalsContact O-N 3.13Å
713	Y	86.7	Confident	90.7	Very high	125 Å²	125	49.8 Å²	49.8	49%	0.49	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65.7	121	-176.2	-80.9	52.6	0	0	0	109.4	P710 T711 N715 G716	P710-Y713 HydrophobicContact CB-CD1 3.97Å; P710-Y713 HydrophobicContact CB-CE1 4.27Å; P710-Y713 HydrophobicContact CG-CD1 4.17Å; P710-Y713 HydrophobicContact CG-CE1 4.09Å; P710-Y713 WeakPolarHBondContact O-CB 3.19Å; P710-Y713 PolarHBondContact O-N 3.02Å; P710-Y713 VanDerWaalsContact O-N 3.07Å; T711-Y713 PolarHBondContact O-N 3.31Å; Y713-N715 PolarHBondContact O-N 3.41Å; Y713-G716 PolarHBondContact O-N 3.46Å
714	W	88.8	Confident	90.7	Very high	195 Å²	195	49.3 Å²	49.3	74%	0.739	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	56.1	38.2	-178.7	-145.6	1.5	0	0	0	112.9	E712 G716 W717 A718	E712-W714 PolarHBondContact O-N 2.99Å; E712-W714 VanDerWaalsContact O-N 3.12Å; W714-G716 PolarHBondContact O-N 3.47Å; W714-W717 HydrophobicContact CB-CB 4.43Å; W714-W717 HydrophobicContact CG-CB 4.45Å; W714-W717 WeakPolarHBondContact O-CB 3.39Å; W714-W717 PolarHBondContact O-N 3.11Å; W714-W717 VanDerWaalsContact O-N 3.13Å; W714-A718 HydrophobicContact CB-CB 4.29Å
715	N	85.9	Confident	90.8	Very high	99 Å²	99	49 Å²	49	53%	0.529	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	50.6	41	-178.5	-54.7	-29.2	0	0	0	113.2	I59 Q62 E712 Y713	I59-N715 VanDerWaalsContact CG1-O 3.32Å; I59-N715 WeakPolarHBondContact CG1-O 3.37Å; Q62-N715 PolarHBondContact NE2-O 3.32Å; E712-N715 PolarHBondContact O-N 3.35Å; E712-N715 VanDerWaalsContact O-N 3.13Å; Y713-N715 PolarHBondContact O-N 3.41Å
716	G	86.9	Confident	90.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	95.4	-19.4	177.8	0	0	0	0	0	115	S55 T711 Y713 W714 A718 C719 F720	S55-G716 WeakPolarHBondContact CB-O 3.29Å; T711-G716 WeakPolarHBondContact O-CA 3.42Å; T711-G716 PolarHBondContact O-N 3.43Å; Y713-G716 PolarHBondContact O-N 3.46Å; W714-G716 PolarHBondContact O-N 3.47Å; G716-A718 PolarHBondContact O-N 2.78Å; G716-C719 PolarHBondContact O-N 3.22Å; G716-F720 WeakPolarHBondContact O-CB 3.48Å; G716-F720 PolarHBondContact O-N 2.83Å
717	W	90.8	Very high	91	Very high	98 Å²	98	50.5 Å²	50.5	37%	0.371	25%	0.253	S	S	.	.	H	α-helix	trans	-67.2	-33.6	-173.4	-73.9	102.2	0	0	0	114.1	I59 W714 F720 I721	I59-W717 HydrophobicContact CD1-CD2 3.86Å; I59-W717 HydrophobicContact CD1-CE3 4.09Å; I59-W717 HydrophobicContact CD1-CG 4.22Å; I59-W717 HydrophobicContact CD1-CZ2 4.37Å; I59-W717 HydrophobicContact CD1-CZ3 4.44Å; I59-W717 HydrophobicContact CG1-CD2 4.39Å; I59-W717 HydrophobicContact CG1-CG 4.48Å; I59-W717 HydrophobicContact CG2-CZ2 3.84Å; W714-W717 HydrophobicContact CB-CB 4.43Å; W714-W717 HydrophobicContact CG-CB 4.45Å; W714-W717 WeakPolarHBondContact O-CB 3.39Å; W714-W717 PolarHBondContact O-N 3.11Å; W714-W717 VanDerWaalsContact O-N 3.13Å; W717-F720 HydrophobicContact CE3-CD1 4.26Å; W717-F720 HydrophobicContact CE3-CG 4.48Å; W717-F720 HydrophobicContact CZ3-CD1 4.29Å; W717-F720 HydrophobicContact CZ3-CE1 4.43Å; W717-F720 WeakPolarHBondContact O-CB 3.18Å; W717-F720 PolarHBondContact O-N 2.76Å; W717-I721 WeakPolarHBondContact O-CG1 3.44Å; W717-I721 PolarHBondContact O-N 3.32Å; W717-I721 VanDerWaalsContact O-N 3.09Å
718	A	93	Very high	91	Very high	23 Å²	23	47.2 Å²	47.2	19%	0.19	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-47.2	176.4	0	0	0	0	0	111.2	P709 W714 G716 F720 I721 V722	P709-A718 HydrophobicContact CB-CB 4.3Å; P709-A718 HydrophobicContact CG-CB 4.09Å; W714-A718 HydrophobicContact CB-CB 4.29Å; G716-A718 PolarHBondContact O-N 2.78Å; A718-F720 VanDerWaalsContact C-N 3.34Å; A718-F720 PolarHBondContact O-N 2.73Å; A718-I721 PolarHBondContact O-N 3.02Å; A718-V722 WeakPolarHBondContact O-CG2 3.44Å; A718-V722 PolarHBondContact O-N 3.2Å; A718-V722 VanDerWaalsContact O-N 3.16Å
719	C	92.2	Very high	91	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-41.4	175.3	-175.9	0	0	0	0	111.6	P709 T711 G716 I721 S723	P709-C719 WeakPolarHBondContact O-CB 3.37Å; T711-C719 HydrophobicContact CG2-CB 4.26Å; G716-C719 PolarHBondContact O-N 3.22Å; C719-I721 PolarHBondContact O-N 3.06Å; C719-S723 WeakPolarHBondContact O-CB 3.5Å; C719-S723 PolarHBondContact O-N 3.1Å; C719-S723 PolarHBondContact O-OG 3.09Å
720	F	92	Very high	91.1	Very high	24 Å²	24	52.1 Å²	52.1	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-51.7	177.7	-177.2	-85.8	0	0	0	112.2	F52 S55 I56 I59 L92 L95 G716 W717 A718 I724	F52-F720 HydrophobicContact CD2-CD2 4.04Å; F52-F720 HydrophobicContact CD2-CE2 4.3Å; F52-F720 HydrophobicContact CE2-CD1 4.3Å; F52-F720 AromaticContact CE2-CD2 3.38Å; F52-F720 HydrophobicContact CE2-CD2 3.38Å; F52-F720 HydrophobicContact CE2-CE1 4.21Å; F52-F720 AromaticContact CE2-CE2 3.28Å; F52-F720 HydrophobicContact CE2-CE2 3.28Å; F52-F720 AromaticContact CE2-CG 3.92Å; F52-F720 HydrophobicContact CE2-CG 3.92Å; F52-F720 AromaticContact CE2-CZ 3.72Å; F52-F720 HydrophobicContact CE2-CZ 3.72Å; F52-F720 HydrophobicContact CZ-CD2 4.15Å; F52-F720 AromaticContact CZ-CE2 3.57Å; F52-F720 HydrophobicContact CZ-CE2 3.57Å; F52-F720 AromaticContact CZ-CZ 3.88Å; F52-F720 HydrophobicContact CZ-CZ 3.88Å; S55-F720 WeakPolarHBondContact OG-CA 3.41Å; I56-F720 HydrophobicContact CD1-CE2 4.23Å; I56-F720 HydrophobicContact CG1-CD2 3.87Å; I56-F720 HydrophobicContact CG1-CE2 3.79Å; I59-F720 HydrophobicContact CD1-CB 4.06Å; I59-F720 HydrophobicContact CD1-CD2 4.1Å; I59-F720 HydrophobicContact CD1-CG 4.26Å; L92-F720 HydrophobicContact CD2-CE2 4.29Å; L92-F720 HydrophobicContact CD2-CZ 4.42Å; L95-F720 HydrophobicContact CD2-CZ 4.49Å; G716-F720 WeakPolarHBondContact O-CB 3.48Å; G716-F720 PolarHBondContact O-N 2.83Å; W717-F720 HydrophobicContact CE3-CD1 4.26Å; W717-F720 HydrophobicContact CE3-CG 4.48Å; W717-F720 HydrophobicContact CZ3-CD1 4.29Å; W717-F720 HydrophobicContact CZ3-CE1 4.43Å; W717-F720 WeakPolarHBondContact O-CB 3.18Å; W717-F720 PolarHBondContact O-N 2.76Å; A718-F720 VanDerWaalsContact C-N 3.34Å; A718-F720 PolarHBondContact O-N 2.73Å; F720-I724 WeakPolarHBondContact O-CB 3.26Å; F720-I724 WeakPolarHBondContact O-CG2 3.23Å; F720-I724 PolarHBondContact O-N 2.95Å
721	I	93.5	Very high	91.1	Very high	89 Å²	89	52.3 Å²	52.3	46%	0.456	25%	0.254	S	S	.	.	H	α-helix	trans	-69.1	-41.6	-176	-65.5	168.6	0	0	0	112	W717 A718 C719 I724 S725	W717-I721 WeakPolarHBondContact O-CG1 3.44Å; W717-I721 PolarHBondContact O-N 3.32Å; W717-I721 VanDerWaalsContact O-N 3.09Å; A718-I721 PolarHBondContact O-N 3.02Å; C719-I721 PolarHBondContact O-N 3.06Å; I721-I724 VanDerWaalsContact O-CG2 3.27Å; I721-I724 WeakPolarHBondContact O-CG2 2.84Å; I721-S725 PolarHBondContact O-N 3.21Å; I721-S725 PolarHBondContact O-OG 3.1Å
722	V	94.5	Very high	91.3	Very high	55 Å²	55	52.6 Å²	52.6	33%	0.333	26%	0.256	S	S	.	.	H	α-helix	trans	-68.6	-44.7	178	176.9	0	0	0	0	110.2	V708 P709 A718 I724 S725 V726	V708-V722 HydrophobicContact CG1-CB 4.37Å; V708-V722 HydrophobicContact CG1-CG1 4.21Å; V708-V722 HydrophobicContact CG2-CG1 4.25Å; P709-V722 HydrophobicContact CG-CB 4.2Å; P709-V722 HydrophobicContact CG-CG2 3.87Å; A718-V722 WeakPolarHBondContact O-CG2 3.44Å; A718-V722 PolarHBondContact O-N 3.2Å; A718-V722 VanDerWaalsContact O-N 3.16Å; V722-I724 PolarHBondContact O-N 3Å; V722-S725 PolarHBondContact O-N 3.36Å; V722-V726 HydrophobicContact CG1-CG2 4.45Å; V722-V726 WeakPolarHBondContact O-CG2 3.29Å; V722-V726 PolarHBondContact O-N 3.06Å
723	S	93.4	Very high	91.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-44.3	-179.6	-58.2	0	0	0	0	112.3	V708 C719 S725 V726 I727	V708-S723 WeakPolarHBondContact CG1-OG 3.45Å; C719-S723 WeakPolarHBondContact O-CB 3.5Å; C719-S723 PolarHBondContact O-N 3.1Å; C719-S723 PolarHBondContact O-OG 3.09Å; S723-S725 VanDerWaalsContact C-N 3.29Å; S723-S725 PolarHBondContact O-N 3.03Å; S723-V726 PolarHBondContact O-N 2.94Å; S723-I727 VanDerWaalsContact O-CG1 3.27Å; S723-I727 WeakPolarHBondContact O-CG1 3.42Å; S723-I727 PolarHBondContact O-N 2.99Å
724	I	91.9	Very high	92	Very high	45 Å²	45	44 Å²	44	23%	0.231	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-34.4	178.3	-163.2	172.3	0	0	0	112.1	F52 L103 F720 I721 V722 I727 G728	F52-I724 HydrophobicContact CD2-CB 4.47Å; F52-I724 HydrophobicContact CE2-CB 3.96Å; F52-I724 HydrophobicContact CE2-CD1 4.47Å; F52-I724 HydrophobicContact CE2-CG1 4.44Å; F52-I724 HydrophobicContact CZ-CB 4.41Å; F52-I724 HydrophobicContact CZ-CD1 4.22Å; F52-I724 HydrophobicContact CZ-CG1 4.41Å; L103-I724 HydrophobicContact CD1-CG1 3.94Å; F720-I724 WeakPolarHBondContact O-CB 3.26Å; F720-I724 WeakPolarHBondContact O-CG2 3.23Å; F720-I724 PolarHBondContact O-N 2.95Å; I721-I724 VanDerWaalsContact O-CG2 3.27Å; I721-I724 WeakPolarHBondContact O-CG2 2.84Å; V722-I724 PolarHBondContact O-N 3Å; I724-I727 PolarHBondContact O-N 3.49Å; I724-G728 PolarHBondContact O-N 3.31Å
725	S	93.6	Very high	92.1	Very high	76 Å²	76	35 Å²	35	53%	0.531	19%	0.189	S	C	.	.	H	α-helix	trans	-67.4	-43.2	175.8	-58.1	0	0	0	0	111.5	I721 V722 S723 G728 F729	I721-S725 PolarHBondContact O-N 3.21Å; I721-S725 PolarHBondContact O-OG 3.1Å; V722-S725 PolarHBondContact O-N 3.36Å; S723-S725 VanDerWaalsContact C-N 3.29Å; S723-S725 PolarHBondContact O-N 3.03Å; S725-G728 PolarHBondContact O-N 3.45Å; S725-F729 PolarHBondContact O-N 3.23Å
726	V	94.6	Very high	92.4	Very high	38 Å²	38	30.7 Å²	30.7	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-42.9	175.4	174.8	0	0	0	0	111	I48 F705 V722 S723 G728 F729 L730	I48-V726 HydrophobicContact CD1-CB 4.37Å; I48-V726 HydrophobicContact CD1-CG1 4.24Å; I48-V726 HydrophobicContact CG1-CB 4.11Å; I48-V726 HydrophobicContact CG1-CG1 3.9Å; F705-V726 HydrophobicContact CD1-CG1 4.09Å; F705-V726 HydrophobicContact CE1-CG1 3.55Å; F705-V726 HydrophobicContact CZ-CG1 4.37Å; V722-V726 HydrophobicContact CG1-CG2 4.45Å; V722-V726 WeakPolarHBondContact O-CG2 3.29Å; V722-V726 PolarHBondContact O-N 3.06Å; S723-V726 PolarHBondContact O-N 2.94Å; V726-G728 VanDerWaalsContact C-N 3.29Å; V726-G728 PolarHBondContact O-N 3.11Å; V726-F729 PolarHBondContact O-N 3.27Å; V726-L730 HydrophobicContact CG1-CD1 4.1Å; V726-L730 HydrophobicContact CG1-CG 4.39Å; V726-L730 WeakPolarHBondContact O-CG 3.29Å; V726-L730 PolarHBondContact O-N 2.87Å
727	I	92.7	Very high	92.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-56.6	-46.7	173.4	-68.6	164.6	0	0	0	109.8	I48 F52 P100 L103 S723 I724 F729 L730 T731	I48-I727 HydrophobicContact CB-CG1 4.38Å; I48-I727 HydrophobicContact CG1-CG1 4.01Å; I48-I727 HydrophobicContact CG2-CD1 4.47Å; I48-I727 HydrophobicContact CG2-CG1 3.54Å; F52-I727 HydrophobicContact CB-CD1 3.84Å; F52-I727 HydrophobicContact CD1-CD1 3.93Å; F52-I727 HydrophobicContact CG-CD1 3.91Å; P100-I727 HydrophobicContact CG-CG2 4.15Å; L103-I727 HydrophobicContact CD1-CB 4.15Å; L103-I727 HydrophobicContact CD1-CG2 3.71Å; S723-I727 VanDerWaalsContact O-CG1 3.27Å; S723-I727 WeakPolarHBondContact O-CG1 3.42Å; S723-I727 PolarHBondContact O-N 2.99Å; I724-I727 PolarHBondContact O-N 3.49Å; I727-F729 VanDerWaalsContact C-N 3.33Å; I727-F729 PolarHBondContact O-N 3.49Å; I727-L730 PolarHBondContact O-N 2.81Å; I727-T731 HydrophobicContact CG2-CG2 3.94Å; I727-T731 WeakPolarHBondContact O-CB 3.39Å; I727-T731 WeakPolarHBondContact O-CG2 3.21Å; I727-T731 PolarHBondContact O-N 3.02Å; I727-T731 PolarHBondContact O-OG1 3.39Å; I727-T731 VanDerWaalsContact O-OG1 3.13Å
728	G	92.3	Very high	92.7	Very high	10 Å²	10	26.6 Å²	26.6	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-40.8	177.7	0	0	0	0	0	113.2	I107 I724 S725 V726 T731 A732	I107-G728 WeakPolarHBondContact CD1-O 3.42Å; I724-G728 PolarHBondContact O-N 3.31Å; S725-G728 PolarHBondContact O-N 3.45Å; V726-G728 VanDerWaalsContact C-N 3.29Å; V726-G728 PolarHBondContact O-N 3.11Å; G728-T731 WeakPolarHBondContact CA-OG1 3.24Å; G728-T731 PolarHBondContact O-OG1 2.88Å; G728-A732 PolarHBondContact O-N 2.78Å; G728-A732 VanDerWaalsContact O-N 3.08Å
729	F	93.5	Very high	92.6	Very high	121 Å²	121	26.6 Å²	26.6	53%	0.531	15%	0.15	S	C	.	.	H	α-helix	trans	-65.2	-45.3	175.7	179.4	-105	0	0	0	112.2	L13 S725 V726 I727 A732 I733	L13-F729 HydrophobicContact CD1-CD2 4.2Å; L13-F729 HydrophobicContact CD1-CE2 4.02Å; S725-F729 PolarHBondContact O-N 3.23Å; V726-F729 PolarHBondContact O-N 3.27Å; I727-F729 VanDerWaalsContact C-N 3.33Å; I727-F729 PolarHBondContact O-N 3.49Å; F729-A732 PolarHBondContact O-N 2.9Å; F729-I733 HydrophobicContact CD1-CD1 4.08Å; F729-I733 HydrophobicContact CE1-CD1 3.54Å; F729-I733 HydrophobicContact CE2-CD1 4.48Å; F729-I733 HydrophobicContact CZ-CD1 3.78Å; F729-I733 PolarHBondContact O-N 3.01Å
730	L	93.6	Very high	92.5	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-67.2	-36.4	178.2	-62.5	172.9	0	0	0	112	M41 V45 I48 W701 F705 V726 I727 I733 I734	M41-L730 HydrophobicContact CE-CB 4.1Å; M41-L730 HydrophobicContact CE-CD2 3.38Å; M41-L730 HydrophobicContact CE-CG 4.32Å; V45-L730 HydrophobicContact CG2-CB 3.63Å; V45-L730 HydrophobicContact CG2-CD1 4.04Å; I48-L730 HydrophobicContact CG2-CD1 3.8Å; W701-L730 HydrophobicContact CH2-CD2 3.78Å; W701-L730 HydrophobicContact CZ3-CD2 3.79Å; F705-L730 HydrophobicContact CE1-CD1 4.25Å; F705-L730 HydrophobicContact CZ-CD1 3.7Å; V726-L730 HydrophobicContact CG1-CD1 4.1Å; V726-L730 HydrophobicContact CG1-CG 4.39Å; V726-L730 WeakPolarHBondContact O-CG 3.29Å; V726-L730 PolarHBondContact O-N 2.87Å; I727-L730 PolarHBondContact O-N 2.81Å; L730-I733 PolarHBondContact O-N 3.46Å; L730-I734 WeakPolarHBondContact O-CG1 3.45Å; L730-I734 PolarHBondContact O-N 2.97Å
731	T	91.4	Very high	92.5	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-69.8	-34.3	178.9	57.8	0	0	0	0	112	P100 I727 G728 I733 I734 G735	P100-T731 HydrophobicContact CB-CG2 3.79Å; I727-T731 HydrophobicContact CG2-CG2 3.94Å; I727-T731 WeakPolarHBondContact O-CB 3.39Å; I727-T731 WeakPolarHBondContact O-CG2 3.21Å; I727-T731 PolarHBondContact O-N 3.02Å; I727-T731 PolarHBondContact O-OG1 3.39Å; I727-T731 VanDerWaalsContact O-OG1 3.13Å; G728-T731 WeakPolarHBondContact CA-OG1 3.24Å; G728-T731 PolarHBondContact O-OG1 2.88Å; T731-I733 VanDerWaalsContact C-N 3.35Å; T731-I734 PolarHBondContact O-N 2.78Å; T731-G735 PolarHBondContact O-N 3.15Å
732	A	92.1	Very high	92.3	Very high	7 Å²	7	22 Å²	22	6%	0.058	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-46.4	170.2	0	0	0	0	0	111.3	L13 I107 G728 F729 I734 G735 D736	L13-A732 HydrophobicContact CD1-CB 3.48Å; L13-A732 VanDerWaalsContact CD1-CB 3.48Å; L13-A732 HydrophobicContact CG-CB 4.27Å; I107-A732 HydrophobicContact CD1-CB 4.35Å; I107-A732 HydrophobicContact CG2-CB 3.95Å; G728-A732 PolarHBondContact O-N 2.78Å; G728-A732 VanDerWaalsContact O-N 3.08Å; F729-A732 PolarHBondContact O-N 2.9Å; A732-I734 VanDerWaalsContact C-N 3.35Å; A732-I734 PolarHBondContact O-N 2.85Å; A732-G735 PolarHBondContact O-N 3.28Å; A732-D736 PolarHBondContact O-N 3.1Å; A732-D736 VanDerWaalsContact O-N 3.13Å
733	I	93.6	Very high	91.9	Very high	28 Å²	28	20 Å²	20	14%	0.144	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-42.2	175.6	-65.1	171.8	0	0	0	111.1	L13 L14 M41 F729 L730 T731 G735 D736 L737	L13-I733 HydrophobicContact CD1-CG1 3.9Å; L14-I733 HydrophobicContact CD1-CG2 4.05Å; M41-I733 HydrophobicContact CE-CB 3.87Å; M41-I733 HydrophobicContact CE-CD1 4.04Å; M41-I733 HydrophobicContact CE-CG2 3.64Å; M41-I733 HydrophobicContact CG-CG2 4.31Å; M41-I733 HydrophobicContact SD-CG2 4.28Å; F729-I733 HydrophobicContact CD1-CD1 4.08Å; F729-I733 HydrophobicContact CE1-CD1 3.54Å; F729-I733 HydrophobicContact CE2-CD1 4.48Å; F729-I733 HydrophobicContact CZ-CD1 3.78Å; F729-I733 PolarHBondContact O-N 3.01Å; L730-I733 PolarHBondContact O-N 3.46Å; T731-I733 VanDerWaalsContact C-N 3.35Å; I733-G735 VanDerWaalsContact C-N 3.33Å; I733-G735 PolarHBondContact O-N 3.26Å; I733-D736 PolarHBondContact O-N 2.94Å; I733-L737 HydrophobicContact CG2-CD1 3.83Å; I733-L737 HydrophobicContact CG2-CG 4.16Å; I733-L737 WeakPolarHBondContact O-CB 3.46Å; I733-L737 VanDerWaalsContact O-CG 3.29Å; I733-L737 WeakPolarHBondContact O-CG 3.25Å; I733-L737 PolarHBondContact O-N 3.1Å
734	I	92.6	Very high	91.7	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-42.1	177	-74.6	166.5	0	0	0	111.1	L38 M41 F42 V45 L730 T731 A732 L737 A738 V757	L38-I734 HydrophobicContact CD1-CB 4.47Å; L38-I734 HydrophobicContact CD1-CG2 3.88Å; M41-I734 HydrophobicContact CB-CD1 4.1Å; M41-I734 HydrophobicContact CB-CG1 3.65Å; F42-I734 HydrophobicContact CD1-CD1 3.85Å; F42-I734 HydrophobicContact CE1-CD1 3.89Å; F42-I734 HydrophobicContact CE1-CG1 4.46Å; F42-I734 HydrophobicContact CE1-CG2 3.64Å; F42-I734 HydrophobicContact CZ-CG2 3.64Å; V45-I734 HydrophobicContact CB-CD1 4.36Å; V45-I734 HydrophobicContact CG2-CD1 3.42Å; V45-I734 VanDerWaalsContact CG2-CD1 3.42Å; L730-I734 WeakPolarHBondContact O-CG1 3.45Å; L730-I734 PolarHBondContact O-N 2.97Å; T731-I734 PolarHBondContact O-N 2.78Å; A732-I734 VanDerWaalsContact C-N 3.35Å; A732-I734 PolarHBondContact O-N 2.85Å; I734-L737 PolarHBondContact O-N 3.31Å; I734-A738 WeakPolarHBondContact O-CB 3.33Å; I734-A738 PolarHBondContact O-N 3.26Å; I734-V757 HydrophobicContact CG2-CG1 4.29Å
735	G	90.4	Very high	91.5	Very high	8 Å²	8	21.9 Å²	21.9	8%	0.082	13%	0.129	C	C	.	.	H	α-helix	trans	-57.6	-48.4	175.9	0	0	0	0	0	111.9	T731 A732 I733 A738 S739	T731-G735 PolarHBondContact O-N 3.15Å; A732-G735 PolarHBondContact O-N 3.28Å; I733-G735 VanDerWaalsContact C-N 3.33Å; I733-G735 PolarHBondContact O-N 3.26Å; G735-A738 PolarHBondContact O-N 3.49Å; G735-S739 PolarHBondContact O-N 2.99Å
736	D	91.9	Very high	91.1	Very high	8 Å²	8	20 Å²	20	4%	0.043	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-45.9	177.7	-68.2	-12.6	0	0	0	112.3	G11 I12 L13 L14 A732 I733 A738 S739 H740	G11-D736 WeakPolarHBondContact CA-OD1 3.48Å; I12-D736 PolarHBondContact N-OD1 3.5Å; I12-D736 PolarHBondContact N-OD2 3.46Å; L13-D736 WeakPolarHBondContact CA-OD2 3.36Å; L13-D736 WeakPolarHBondContact CB-OD2 3.46Å; L13-D736 PolarHBondContact N-OD2 2.9Å; L14-D736 HydrophobicContact CB-CB 4.03Å; L14-D736 HydrophobicContact CD1-CB 4.22Å; L14-D736 HydrophobicContact CG-CB 4.29Å; L14-D736 PolarHBondContact N-OD2 3.1Å; A732-D736 PolarHBondContact O-N 3.1Å; A732-D736 VanDerWaalsContact O-N 3.13Å; I733-D736 PolarHBondContact O-N 2.94Å; D736-A738 VanDerWaalsContact C-N 3.29Å; D736-A738 PolarHBondContact O-N 2.82Å; D736-S739 PolarHBondContact O-N 2.69Å; D736-H740 WeakPolarHBondContact O-CB 3.44Å; D736-H740 PolarHBondContact O-N 2.63Å; D736-H740 PolarHBondContact O-ND1 3.18Å
737	L	92.9	Very high	90.8	Very high	12 Å²	12	19.9 Å²	19.9	6%	0.063	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-38.7	177.5	-73.2	175.4	0	0	0	111.7	L14 Y34 L38 M41 I733 I734 F741	L14-L737 HydrophobicContact CD1-CD2 3.71Å; L14-L737 HydrophobicContact CD1-CG 3.85Å; Y34-L737 HydrophobicContact CD1-CD2 3.82Å; Y34-L737 HydrophobicContact CE1-CD2 4.22Å; L38-L737 HydrophobicContact CD1-CB 4.11Å; M41-L737 HydrophobicContact CB-CD1 4.48Å; M41-L737 HydrophobicContact CG-CD1 3.69Å; I733-L737 HydrophobicContact CG2-CD1 3.83Å; I733-L737 HydrophobicContact CG2-CG 4.16Å; I733-L737 WeakPolarHBondContact O-CB 3.46Å; I733-L737 VanDerWaalsContact O-CG 3.29Å; I733-L737 WeakPolarHBondContact O-CG 3.25Å; I733-L737 PolarHBondContact O-N 3.1Å; I734-L737 PolarHBondContact O-N 3.31Å; L737-F741 WeakPolarHBondContact O-CB 3.48Å; L737-F741 PolarHBondContact O-N 3.2Å
738	A	91.8	Very high	90.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.6	-46.4	177.8	0	0	0	0	0	111.5	L38 L119 I734 G735 D736 F741 G742 T752 V757	L38-A738 HydrophobicContact CD1-CB 4.29Å; L119-A738 HydrophobicContact CD2-CB 4.23Å; I734-A738 WeakPolarHBondContact O-CB 3.33Å; I734-A738 PolarHBondContact O-N 3.26Å; G735-A738 PolarHBondContact O-N 3.49Å; D736-A738 VanDerWaalsContact C-N 3.29Å; D736-A738 PolarHBondContact O-N 2.82Å; A738-F741 PolarHBondContact O-N 2.91Å; A738-G742 PolarHBondContact O-N 2.86Å; A738-T752 HydrophobicContact CB-CG2 4.35Å; A738-T752 WeakPolarHBondContact O-CG2 3.48Å; A738-V757 HydrophobicContact CB-CG2 3.39Å
739	S	89.3	Confident	90.1	Very high	22 Å²	22	24 Å²	24	15%	0.154	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-43	176.3	-175	0	0	0	0	111.5	G735 D736 F741 G742 C743 D749	G735-S739 PolarHBondContact O-N 2.99Å; D736-S739 PolarHBondContact O-N 2.69Å; S739-F741 PolarHBondContact O-N 3.25Å; S739-G742 PolarHBondContact O-N 3.27Å; S739-C743 WeakPolarHBondContact O-CB 3.39Å; S739-C743 PolarHBondContact O-N 3.2Å; S739-D749 PolarHBondContact OG-OD1 3.4Å
740	H	90.7	Very high	89.7	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-38.9	176	-67.7	165.5	0	0	0	113.2	T9 L14 P15 Y34 D736 C743 T744	T9-H740 PolarHBondContact O-NE2 3.06Å; L14-H740 PolarHBondContact O-CE1 3.32Å; P15-H740 PolarHBondContact O-CE1 3.29Å; Y34-H740 HydrophobicContact CD1-CB 4.16Å; Y34-H740 HydrophobicContact CE1-CB 3.71Å; Y34-H740 HydrophobicContact CE2-CB 4.09Å; D736-H740 WeakPolarHBondContact O-CB 3.44Å; D736-H740 PolarHBondContact O-N 2.63Å; D736-H740 PolarHBondContact O-ND1 3.18Å; H740-C743 PolarHBondContact O-SG 3.25Å; H740-T744 VanDerWaalsContact O-CB 3.29Å; H740-T744 WeakPolarHBondContact O-CB 3.44Å; H740-T744 PolarHBondContact O-N 3.02Å; H740-T744 PolarHBondContact O-OG1 2.83Å
741	F	91.6	Very high	89.5	Confident	15 Å²	15	19.2 Å²	19.2	7%	0.066	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-49.7	172.3	172.4	-106	0	0	0	110.8	A31 F35 L737 A738 S739 C743 T744 V745 L747 T752 F756	A31-F741 HydrophobicContact CB-CE2 4.45Å; F35-F741 HydrophobicContact CB-CD2 4.12Å; F35-F741 HydrophobicContact CB-CE2 3.81Å; F35-F741 HydrophobicContact CD2-CE2 4.12Å; F35-F741 HydrophobicContact CD2-CZ 4.01Å; F35-F741 HydrophobicContact CG-CE2 4.39Å; L737-F741 WeakPolarHBondContact O-CB 3.48Å; L737-F741 PolarHBondContact O-N 3.2Å; A738-F741 PolarHBondContact O-N 2.91Å; S739-F741 PolarHBondContact O-N 3.25Å; F741-C743 PolarHBondContact O-N 3.06Å; F741-T744 PolarHBondContact O-N 2.85Å; F741-V745 HydrophobicContact CD2-CG2 4.06Å; F741-V745 HydrophobicContact CE1-CG2 4.48Å; F741-V745 HydrophobicContact CE2-CG2 3.65Å; F741-V745 HydrophobicContact CZ-CG2 3.9Å; F741-V745 WeakPolarHBondContact O-CG2 3.33Å; F741-V745 PolarHBondContact O-N 2.88Å; F741-L747 HydrophobicContact CE1-CD1 4.34Å; F741-T752 HydrophobicContact CD1-CG2 4.08Å; F741-F756 AromaticContact CE1-CD2 3.86Å; F741-F756 HydrophobicContact CE1-CD2 3.86Å; F741-F756 AromaticContact CE1-CE2 3.79Å; F741-F756 HydrophobicContact CE1-CE2 3.79Å; F741-F756 HydrophobicContact CE1-CG 4.31Å; F741-F756 HydrophobicContact CE1-CZ 4.19Å; F741-F756 HydrophobicContact CZ-CE2 4.45Å; F741-F756 HydrophobicContact CZ-CZ 4.44Å
742	G	89.4	Confident	89.4	Confident	0 Å²	0	19 Å²	19	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.4	-52.4	179.1	0	0	0	0	0	111.5	A738 S739 T744 V745 G746 L747 T752	A738-G742 PolarHBondContact O-N 2.86Å; S739-G742 PolarHBondContact O-N 3.27Å; G742-T744 VanDerWaalsContact C-N 3.33Å; G742-T744 PolarHBondContact O-N 2.81Å; G742-V745 PolarHBondContact O-N 2.88Å; G742-G746 PolarHBondContact O-N 2.79Å; G742-L747 CarbonylContact C-O 3.51Å; G742-L747 PolarHBondContact O-N 2.9Å; G742-T752 WeakPolarHBondContact CA-OG1 3.29Å
743	C	87.5	Confident	89.3	Confident	14 Å²	14	18.7 Å²	18.7	10%	0.095	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-36.2	179.8	81.3	0	0	0	0	112.7	C8 S739 H740 F741 G746	C8-C743 VanDerWaalsContact CA-SG 3.54Å; C8-C743 HydrophobicContact CB-CB 3.93Å; C8-C743 WeakPolarHBondContact CB-SG 3.44Å; C8-C743 WeakPolarHBondContact SG-CB 3.48Å; C8-C743 CovalentContact SG-SG 2.03Å; C8-C743 PolarHBondContact SG-SG 3.27Å; S739-C743 WeakPolarHBondContact O-CB 3.39Å; S739-C743 PolarHBondContact O-N 3.2Å; H740-C743 PolarHBondContact O-SG 3.25Å; F741-C743 PolarHBondContact O-N 3.06Å; C743-G746 PolarHBondContact O-N 2.91Å
744	T	88.5	Confident	89	Confident	18 Å²	18	18 Å²	18	11%	0.11	11%	0.111	C	C	.	.	H	α-helix	trans	-68	-37.8	178.1	-59	0	0	0	0	112.1	Q27 R30 A31 H740 F741 G742	Q27-T744 HydrophobicContact CG-CG2 4.05Å; Q27-T744 WeakPolarHBondContact CG-O 3.42Å; Q27-T744 PolarHBondContact NE2-O 3.46Å; R30-T744 HydrophobicContact CB-CG2 4.02Å; A31-T744 HydrophobicContact CB-CG2 4.25Å; H740-T744 VanDerWaalsContact O-CB 3.29Å; H740-T744 WeakPolarHBondContact O-CB 3.44Å; H740-T744 PolarHBondContact O-N 3.02Å; H740-T744 PolarHBondContact O-OG1 2.83Å; F741-T744 PolarHBondContact O-N 2.85Å; G742-T744 VanDerWaalsContact C-N 3.33Å; G742-T744 PolarHBondContact O-N 2.81Å
745	V	88.3	Confident	88.8	Confident	67 Å²	67	19.3 Å²	19.3	41%	0.406	12%	0.119	S	C	.	.	H	α-helix	trans	-81.8	-21.1	178	179.9	0	0	0	0	111.8	A31 F741 G742 L747	A31-V745 HydrophobicContact CB-CG2 3.81Å; F741-V745 HydrophobicContact CD2-CG2 4.06Å; F741-V745 HydrophobicContact CE1-CG2 4.48Å; F741-V745 HydrophobicContact CE2-CG2 3.65Å; F741-V745 HydrophobicContact CZ-CG2 3.9Å; F741-V745 WeakPolarHBondContact O-CG2 3.33Å; F741-V745 PolarHBondContact O-N 2.88Å; G742-V745 PolarHBondContact O-N 2.88Å; V745-L747 HydrophobicContact CB-CD1 4.37Å; V745-L747 HydrophobicContact CB-CG 4.19Å; V745-L747 HydrophobicContact CG1-CD1 4.08Å; V745-L747 HydrophobicContact CG1-CG 3.89Å
746	G	85.5	Confident	88.8	Confident	35 Å²	35	21.6 Å²	21.6	36%	0.361	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	22.2	-173.4	0	0	0	0	0	113.3	G742 C743	G742-G746 PolarHBondContact O-N 2.79Å; C743-G746 PolarHBondContact O-N 2.91Å
747	L	87.1	Confident	88.8	Confident	37 Å²	37	21.2 Å²	21.2	19%	0.194	13%	0.125	C	C	.	.			trans	-88.3	141.9	174.3	-60.3	174.7	0	0	0	110.6	F741 G742 V745 T752 F756 Y883	F741-L747 HydrophobicContact CE1-CD1 4.34Å; G742-L747 CarbonylContact C-O 3.51Å; G742-L747 PolarHBondContact O-N 2.9Å; V745-L747 HydrophobicContact CB-CD1 4.37Å; V745-L747 HydrophobicContact CB-CG 4.19Å; V745-L747 HydrophobicContact CG1-CD1 4.08Å; V745-L747 HydrophobicContact CG1-CG 3.89Å; L747-T752 WeakPolarHBondContact CB-OG1 3.22Å; L747-F756 HydrophobicContact CD1-CE2 3.87Å; L747-Y883 WeakPolarHBondContact CA-OH 3.34Å; L747-Y883 WeakPolarHBondContact CD2-OH 3.33Å
748	Q	85.2	Confident	88.7	Confident	42 Å²	42	20.6 Å²	20.6	20%	0.196	12%	0.122	C	C	.	.			trans	-67.3	149.3	168.4	-68.7	-173.1	8.9	0	0	110.9	T6 T750 V751 T752 A882 Y883	T6-Q748 HydrophobicContact CG2-CG 4.28Å; Q748-T750 PolarHBondContact O-N 3.08Å; Q748-V751 HydrophobicContact CB-CG2 4.4Å; Q748-V751 PolarHBondContact O-N 3.38Å; Q748-V751 VanDerWaalsContact O-N 3.12Å; Q748-T752 PolarHBondContact O-N 3.05Å; Q748-T752 PolarHBondContact O-OG1 3.22Å; Q748-A882 PolarHBondContact NE2-O 3Å; Q748-A882 PolarHBondContact OE1-O 3.16Å; Q748-Y883 HydrophobicContact CG-CE1 4.27Å; Q748-Y883 PolarHBondContact N-OH 3.18Å
749	D	85.7	Confident	88.5	Confident	55 Å²	55	23.3 Å²	23.3	29%	0.294	14%	0.136	S	C	.	.	H	α-helix	trans	-57.2	-37.8	178.3	-67.7	-28.9	0	0	0	111.8	L119 S739 V751 T752 A753	L119-D749 HydrophobicContact CD1-CB 3.9Å; L119-D749 WeakPolarHBondContact CD1-O 3.35Å; S739-D749 PolarHBondContact OG-OD1 3.4Å; D749-V751 PolarHBondContact O-N 2.79Å; D749-T752 PolarHBondContact O-N 3.08Å; D749-A753 VanDerWaalsContact O-CB 3.24Å; D749-A753 WeakPolarHBondContact O-CB 3.48Å; D749-A753 PolarHBondContact O-N 3.34Å
750	T	84.9	Confident	88.4	Confident	14 Å²	14	22.3 Å²	22.3	9%	0.086	13%	0.129	C	C	.	.	H	α-helix	trans	-59.1	-45.1	176.1	51.8	0	0	0	0	112.7	Q118 Q748 V754 S822	Q118-T750 HydrophobicContact CB-CG2 3.87Å; Q118-T750 HydrophobicContact CG-CG2 4.28Å; Q748-T750 PolarHBondContact O-N 3.08Å; T750-V754 VanDerWaalsContact O-CG2 3.28Å; T750-V754 WeakPolarHBondContact O-CG2 3.49Å; T750-V754 PolarHBondContact O-N 3.22Å; T750-V754 VanDerWaalsContact O-N 3.1Å; T750-S822 WeakPolarHBondContact CG2-OG 3.31Å
751	V	88.4	Confident	88.3	Confident	13 Å²	13	22.6 Å²	22.6	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-70.3	-41.2	178.2	-179.5	0	0	0	0	110.3	Q748 D749 A753 V754 V755 A882 Y883	Q748-V751 HydrophobicContact CB-CG2 4.4Å; Q748-V751 PolarHBondContact O-N 3.38Å; Q748-V751 VanDerWaalsContact O-N 3.12Å; D749-V751 PolarHBondContact O-N 2.79Å; V751-A753 VanDerWaalsContact C-N 3.33Å; V751-A753 PolarHBondContact O-N 3.02Å; V751-V754 PolarHBondContact O-N 3.06Å; V751-V755 HydrophobicContact CG1-CG2 4.24Å; V751-V755 WeakPolarHBondContact O-CB 3.41Å; V751-V755 WeakPolarHBondContact O-CG2 3.47Å; V751-V755 PolarHBondContact O-N 2.65Å; V751-A882 HydrophobicContact CG2-CB 3.64Å; V751-Y883 HydrophobicContact CG2-CE2 4.06Å
752	T	90.4	Very high	88.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-42	178.8	-52.7	0	0	0	0	111.4	A738 F741 G742 L747 Q748 D749 F756 V757	A738-T752 HydrophobicContact CB-CG2 4.35Å; A738-T752 WeakPolarHBondContact O-CG2 3.48Å; F741-T752 HydrophobicContact CD1-CG2 4.08Å; G742-T752 WeakPolarHBondContact CA-OG1 3.29Å; L747-T752 WeakPolarHBondContact CB-OG1 3.22Å; Q748-T752 PolarHBondContact O-N 3.05Å; Q748-T752 PolarHBondContact O-OG1 3.22Å; D749-T752 PolarHBondContact O-N 3.08Å; T752-F756 HydrophobicContact CG2-CD2 4.35Å; T752-F756 PolarHBondContact O-N 2.9Å; T752-V757 PolarHBondContact O-N 3.17Å
753	A	89.1	Confident	87.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-62.2	-51.3	175.3	0	0	0	0	0	112.4	L119 D749 V751 V755 V757 A758	L119-A753 HydrophobicContact CD1-CB 4Å; L119-A753 HydrophobicContact CG-CB 4.11Å; L119-A753 WeakPolarHBondContact O-CB 3.43Å; D749-A753 VanDerWaalsContact O-CB 3.24Å; D749-A753 WeakPolarHBondContact O-CB 3.48Å; D749-A753 PolarHBondContact O-N 3.34Å; V751-A753 VanDerWaalsContact C-N 3.33Å; V751-A753 PolarHBondContact O-N 3.02Å; A753-V755 PolarHBondContact O-N 3.3Å; A753-V757 PolarHBondContact O-N 3.2Å; A753-A758 VanDerWaalsContact O-CB 3.28Å; A753-A758 WeakPolarHBondContact O-CB 3.31Å; A753-A758 PolarHBondContact O-N 3.31Å
754	V	88.7	Confident	87.3	Confident	13 Å²	13	23.9 Å²	23.9	8%	0.079	14%	0.137	C	C	.	.	I	π-helix	trans	-67.6	-33.5	-175.9	170.5	0	0	0	0	112.8	G122 T750 V751 A758 Y874	G122-V754 WeakPolarHBondContact O-CG2 3.34Å; T750-V754 VanDerWaalsContact O-CG2 3.28Å; T750-V754 WeakPolarHBondContact O-CG2 3.49Å; T750-V754 PolarHBondContact O-N 3.22Å; T750-V754 VanDerWaalsContact O-N 3.1Å; V751-V754 PolarHBondContact O-N 3.06Å; V754-A758 WeakPolarHBondContact O-CB 3.33Å; V754-Y874 HydrophobicContact CG1-CD1 4.48Å; V754-Y874 HydrophobicContact CG1-CE1 3.61Å
755	V	88.4	Confident	87	Confident	31 Å²	31	23.4 Å²	23.4	19%	0.188	13%	0.134	C	C	.	.	I	π-helix	trans	-94.5	-48.6	-173.8	178.3	0	0	0	0	112.7	V751 A753 L759 I875	V751-V755 HydrophobicContact CG1-CG2 4.24Å; V751-V755 WeakPolarHBondContact O-CB 3.41Å; V751-V755 WeakPolarHBondContact O-CG2 3.47Å; V751-V755 PolarHBondContact O-N 2.65Å; A753-V755 PolarHBondContact O-N 3.3Å; V755-L759 WeakPolarHBondContact O-CB 3.18Å; V755-I875 HydrophobicContact CG2-CD1 4.38Å; V755-I875 HydrophobicContact CG2-CG1 4.37Å; V755-I875 HydrophobicContact CG2-CG2 3.71Å
756	F	90.1	Very high	86.9	Confident	56 Å²	56	21 Å²	21	25%	0.246	12%	0.119	C	C	.	.	I	π-helix	trans	-101.3	-47.1	-169.6	-64.2	-73.2	0	0	0	112.5	F35 F741 L747 T752 G760	F35-F756 HydrophobicContact CE2-CD1 4.02Å; F35-F756 HydrophobicContact CE2-CE1 4.05Å; F741-F756 AromaticContact CE1-CD2 3.86Å; F741-F756 HydrophobicContact CE1-CD2 3.86Å; F741-F756 AromaticContact CE1-CE2 3.79Å; F741-F756 HydrophobicContact CE1-CE2 3.79Å; F741-F756 HydrophobicContact CE1-CG 4.31Å; F741-F756 HydrophobicContact CE1-CZ 4.19Å; F741-F756 HydrophobicContact CZ-CE2 4.45Å; F741-F756 HydrophobicContact CZ-CZ 4.44Å; L747-F756 HydrophobicContact CD1-CE2 3.87Å; T752-F756 HydrophobicContact CG2-CD2 4.35Å; T752-F756 PolarHBondContact O-N 2.9Å; F756-G760 PolarHBondContact O-N 3.06Å
757	V	91	Very high	86.7	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-70.8	-50.1	-176.6	-172.8	0	0	0	0	110.8	F42 L104 T123 I734 A738 T752 A753 L759 G760 T761	F42-V757 HydrophobicContact CZ-CG1 4.22Å; L104-V757 HydrophobicContact CD2-CG1 3.94Å; T123-V757 HydrophobicContact CG2-CB 4.28Å; T123-V757 HydrophobicContact CG2-CG1 3.74Å; I734-V757 HydrophobicContact CG2-CG1 4.29Å; A738-V757 HydrophobicContact CB-CG2 3.39Å; T752-V757 PolarHBondContact O-N 3.17Å; A753-V757 PolarHBondContact O-N 3.2Å; V757-L759 VanDerWaalsContact C-N 3.29Å; V757-L759 PolarHBondContact O-N 3.14Å; V757-G760 PolarHBondContact O-N 3.18Å; V757-G760 VanDerWaalsContact O-N 3.11Å; V757-T761 HydrophobicContact CG1-CG2 4.43Å; V757-T761 PolarHBondContact O-N 3.45Å; V757-T761 PolarHBondContact O-OG1 3.4Å
758	A	90.4	Very high	86.2	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-41.1	176.2	0	0	0	0	0	112.8	G126 S127 A753 V754 T761 S762	G126-A758 VanDerWaalsContact C-CB 3.47Å; S127-A758 VanDerWaalsContact N-CB 3.34Å; A753-A758 VanDerWaalsContact O-CB 3.28Å; A753-A758 WeakPolarHBondContact O-CB 3.31Å; A753-A758 PolarHBondContact O-N 3.31Å; V754-A758 WeakPolarHBondContact O-CB 3.33Å; A758-T761 PolarHBondContact O-OG1 2.97Å; A758-S762 VanDerWaalsContact O-CB 3.3Å; A758-S762 WeakPolarHBondContact O-CB 3.34Å; A758-S762 PolarHBondContact O-N 3.19Å; A758-S762 PolarHBondContact O-OG 2.89Å; A758-S762 VanDerWaalsContact O-OG 3.13Å
759	L	89.1	Confident	86.3	Confident	57 Å²	57	19.4 Å²	19.4	30%	0.298	10%	0.101	S	C	.	.	H	α-helix	trans	-64.7	-46.5	175.9	-177.7	147.9	0	0	0	110.7	F130 V755 V757 S762 I763 W871	F130-L759 HydrophobicContact CD2-CG 4.47Å; F130-L759 HydrophobicContact CE2-CD1 3.91Å; F130-L759 HydrophobicContact CE2-CG 3.93Å; F130-L759 HydrophobicContact CZ-CG 4.34Å; V755-L759 WeakPolarHBondContact O-CB 3.18Å; V757-L759 VanDerWaalsContact C-N 3.29Å; V757-L759 PolarHBondContact O-N 3.14Å; L759-S762 PolarHBondContact O-N 2.97Å; L759-I763 HydrophobicContact CD2-CD1 4.15Å; L759-I763 HydrophobicContact CD2-CG1 4.43Å; L759-I763 WeakPolarHBondContact O-CG1 3.46Å; L759-I763 PolarHBondContact O-N 2.88Å; L759-W871 HydrophobicContact CD1-CH2 4.21Å; L759-W871 HydrophobicContact CD1-CZ2 4.21Å
760	G	87.4	Confident	86.3	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-44.1	-178.2	0	0	0	0	0	113.7	F756 V757	F756-G760 PolarHBondContact O-N 3.06Å; V757-G760 PolarHBondContact O-N 3.18Å; V757-G760 VanDerWaalsContact O-N 3.11Å
761	T	86.8	Confident	86	Confident	7 Å²	7	20.4 Å²	20.4	4%	0.043	10%	0.103	C	C	.	.	H	α-helix	trans	-72.3	-28	179.5	63.8	0	0	0	0	113	F42 P100 E101 V757 A758 P764	F42-T761 HydrophobicContact CD1-CG2 4.42Å; F42-T761 HydrophobicContact CE1-CG2 3.75Å; P100-T761 HydrophobicContact CB-CG2 4.01Å; E101-T761 WeakPolarHBondContact OE1-CB 3.44Å; E101-T761 PolarHBondContact OE1-OG1 3.43Å; V757-T761 HydrophobicContact CG1-CG2 4.43Å; V757-T761 PolarHBondContact O-N 3.45Å; V757-T761 PolarHBondContact O-OG1 3.4Å; A758-T761 PolarHBondContact O-OG1 2.97Å; T761-P764 WeakPolarHBondContact O-CD 3.16Å
762	S	87.9	Confident	85.6	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-82.8	-5.6	177.7	-71.3	0	0	0	0	115.2	N131 A758 L759 D765 T766	N131-S762 VanDerWaalsContact OD1-CB 3.25Å; N131-S762 WeakPolarHBondContact OD1-CB 3.44Å; N131-S762 PolarHBondContact OD1-OG 3.39Å; A758-S762 VanDerWaalsContact O-CB 3.3Å; A758-S762 WeakPolarHBondContact O-CB 3.34Å; A758-S762 PolarHBondContact O-N 3.19Å; A758-S762 PolarHBondContact O-OG 2.89Å; A758-S762 VanDerWaalsContact O-OG 3.13Å; L759-S762 PolarHBondContact O-N 2.97Å; S762-D765 PolarHBondContact O-N 2.94Å; S762-T766 PolarHBondContact O-N 2.86Å; S762-T766 PolarHBondContact O-OG1 3.03Å
763	I	82.7	Confident	85.4	Confident	51 Å²	51	19.9 Å²	19.9	26%	0.262	10%	0.1	S	C	.	.	H	α-helix	trans	-58.9	-51.4	179.3	-75.1	166.5	0	0	0	111.9	L759 D765 T766 F767	L759-I763 HydrophobicContact CD2-CD1 4.15Å; L759-I763 HydrophobicContact CD2-CG1 4.43Å; L759-I763 WeakPolarHBondContact O-CG1 3.46Å; L759-I763 PolarHBondContact O-N 2.88Å; I763-D765 PolarHBondContact O-N 3.02Å; I763-T766 VanDerWaalsContact O-CB 3.26Å; I763-T766 WeakPolarHBondContact O-CB 3.44Å; I763-T766 PolarHBondContact O-N 3.46Å; I763-F767 HydrophobicContact CG2-CD2 3.85Å; I763-F767 HydrophobicContact CG2-CE2 3.69Å; I763-F767 WeakPolarHBondContact O-CD2 3.31Å; I763-F767 PolarHBondContact O-N 3.29Å
764	P	76.8	Confident	85.1	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.032	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-38.4	178.1	-27.1	36.7	0	0	0	113	S46 T761 T766 F767 A768	S46-P764 WeakPolarHBondContact OG-CG 3.24Å; T761-P764 WeakPolarHBondContact O-CD 3.16Å; P764-T766 VanDerWaalsContact C-N 3.3Å; P764-T766 PolarHBondContact O-N 3.43Å; P764-F767 PolarHBondContact O-N 2.85Å; P764-A768 WeakPolarHBondContact O-CB 3.46Å; P764-A768 PolarHBondContact O-N 3.39Å
765	D	83.1	Confident	84.5	Confident	8 Å²	8	26 Å²	26	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-68.7	-31.4	179.2	-72.8	-3.5	0	0	0	112.4	S97 I135 R319 S762 I763 S769	S97-D765 WeakPolarHBondContact CB-OD1 3.35Å; S97-D765 WeakPolarHBondContact CB-OD2 3.31Å; I135-D765 HydrophobicContact CD1-CB 3.91Å; R319-D765 IonicContact CZ-OD1 2.73Å; R319-D765 IonicContact NE-OD1 2.71Å; R319-D765 IonicContact NH2-OD1 3.87Å; R319-D765 PolarHBondContact NH2-OD1 3.1Å; S762-D765 PolarHBondContact O-N 2.94Å; I763-D765 PolarHBondContact O-N 3.02Å; D765-S769 VanDerWaalsContact O-CB 3.26Å; D765-S769 WeakPolarHBondContact O-CB 3.41Å; D765-S769 PolarHBondContact O-N 3.07Å; D765-S769 PolarHBondContact O-OG 3.37Å
766	T	86.4	Confident	83.9	Confident	15 Å²	15	26.1 Å²	26.1	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-49.9	175.5	-54.7	0	0	0	0	110.6	F130 I135 I138 S762 I763 P764 K770	F130-T766 WeakPolarHBondContact CE1-OG1 3.36Å; I135-T766 HydrophobicContact CG1-CG2 4.33Å; I135-T766 WeakPolarHBondContact CG1-OG1 3.41Å; I138-T766 HydrophobicContact CD1-CG2 3.59Å; S762-T766 PolarHBondContact O-N 2.86Å; S762-T766 PolarHBondContact O-OG1 3.03Å; I763-T766 VanDerWaalsContact O-CB 3.26Å; I763-T766 WeakPolarHBondContact O-CB 3.44Å; I763-T766 PolarHBondContact O-N 3.46Å; P764-T766 VanDerWaalsContact C-N 3.3Å; P764-T766 PolarHBondContact O-N 3.43Å; T766-K770 WeakPolarHBondContact O-CB 2.94Å; T766-K770 PolarHBondContact O-N 3.4Å
767	F	80.2	Confident	83.3	Confident	76 Å²	76	30.9 Å²	30.9	33%	0.333	15%	0.152	S	C	.	.	H	α-helix	trans	-69.7	-40	-179.3	-72.8	-77.8	0	0	0	111.7	A322 M326 I763 P764 K770 V771	A322-F767 HydrophobicContact CB-CB 3.9Å; M326-F767 HydrophobicContact CE-CB 4.17Å; M326-F767 HydrophobicContact CE-CD2 3.74Å; M326-F767 HydrophobicContact CE-CE2 4.37Å; M326-F767 HydrophobicContact CE-CG 4.1Å; M326-F767 HydrophobicContact CG-CD1 4.47Å; M326-F767 HydrophobicContact CG-CD2 4.37Å; M326-F767 HydrophobicContact CG-CE1 4.49Å; M326-F767 HydrophobicContact CG-CE2 4.38Å; M326-F767 HydrophobicContact CG-CG 4.41Å; M326-F767 HydrophobicContact CG-CZ 4.44Å; M326-F767 HydrophobicContact SD-CB 4.39Å; M326-F767 HydrophobicContact SD-CD1 4.22Å; M326-F767 HydrophobicContact SD-CD2 3.16Å; M326-F767 WeakPolarHBondContact SD-CD2 3.09Å; M326-F767 HydrophobicContact SD-CE1 4.28Å; M326-F767 HydrophobicContact SD-CE2 3.23Å; M326-F767 WeakPolarHBondContact SD-CE2 3.36Å; M326-F767 HydrophobicContact SD-CG 3.69Å; M326-F767 HydrophobicContact SD-CZ 3.81Å; I763-F767 HydrophobicContact CG2-CD2 3.85Å; I763-F767 HydrophobicContact CG2-CE2 3.69Å; I763-F767 WeakPolarHBondContact O-CD2 3.31Å; I763-F767 PolarHBondContact O-N 3.29Å; P764-F767 PolarHBondContact O-N 2.85Å; F767-K770 PolarHBondContact O-N 2.96Å; F767-V771 WeakPolarHBondContact O-CB 3.5Å; F767-V771 VanDerWaalsContact O-CG2 3.32Å; F767-V771 WeakPolarHBondContact O-CG2 3.31Å; F767-V771 PolarHBondContact O-N 3.45Å
768	A	78.1	Confident	83	Confident	3 Å²	3	34.4 Å²	34.4	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-50	174.7	0	0	0	0	0	112.1	R319 P764 K770 V771 A772	R319-A768 HydrophobicContact CB-CB 3.68Å; R319-A768 HydrophobicContact CG-CB 3.86Å; P764-A768 WeakPolarHBondContact O-CB 3.46Å; P764-A768 PolarHBondContact O-N 3.39Å; A768-K770 VanDerWaalsContact C-N 3.34Å; A768-K770 PolarHBondContact O-N 3.5Å; A768-V771 PolarHBondContact O-N 3.37Å; A768-A772 WeakPolarHBondContact O-CB 3.47Å; A768-A772 PolarHBondContact O-N 3.22Å
769	S	85.8	Confident	82.8	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-35.8	179.9	-57.8	0	0	0	0	112.2	C139 D765 A773 S782	C139-S769 PolarHBondContact SG-O 3.39Å; D765-S769 VanDerWaalsContact O-CB 3.26Å; D765-S769 WeakPolarHBondContact O-CB 3.41Å; D765-S769 PolarHBondContact O-N 3.07Å; D765-S769 PolarHBondContact O-OG 3.37Å; S769-A773 WeakPolarHBondContact O-CB 3.42Å; S769-A773 PolarHBondContact O-N 2.93Å; S769-S782 WeakPolarHBondContact O-CB 3.47Å
770	K	85.9	Confident	82.5	Confident	74 Å²	74	33.6 Å²	33.6	32%	0.322	16%	0.164	S	C	.	.	H	α-helix	trans	-62	-50.4	173.6	177.2	-173.2	171.2	-167.7	0	111.8	I138 V142 T766 F767 A768 A773 I774	I138-K770 HydrophobicContact CG2-CB 4.48Å; I138-K770 HydrophobicContact CG2-CG 4.47Å; V142-K770 HydrophobicContact CB-CG 4.31Å; V142-K770 HydrophobicContact CG1-CD 4.45Å; V142-K770 HydrophobicContact CG1-CG 3.86Å; V142-K770 HydrophobicContact CG2-CD 4.19Å; V142-K770 HydrophobicContact CG2-CG 4.01Å; T766-K770 WeakPolarHBondContact O-CB 2.94Å; T766-K770 PolarHBondContact O-N 3.4Å; F767-K770 PolarHBondContact O-N 2.96Å; A768-K770 VanDerWaalsContact C-N 3.34Å; A768-K770 PolarHBondContact O-N 3.5Å; K770-A773 PolarHBondContact O-N 3.05Å; K770-I774 HydrophobicContact CG-CD1 4.24Å; K770-I774 WeakPolarHBondContact O-CG1 3.41Å; K770-I774 PolarHBondContact O-N 2.91Å; K770-I774 VanDerWaalsContact O-N 3.13Å
771	V	79.9	Confident	82	Confident	16 Å²	16	34.7 Å²	34.7	10%	0.097	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-43.6	-178.9	171.8	0	0	0	0	110.3	Y318 A322 F767 A768 A773 I774 Q775	Y318-V771 HydrophobicContact CD1-CG1 3.92Å; A322-V771 HydrophobicContact CB-CB 4.44Å; A322-V771 HydrophobicContact CB-CG2 3.89Å; F767-V771 WeakPolarHBondContact O-CB 3.5Å; F767-V771 VanDerWaalsContact O-CG2 3.32Å; F767-V771 WeakPolarHBondContact O-CG2 3.31Å; F767-V771 PolarHBondContact O-N 3.45Å; A768-V771 PolarHBondContact O-N 3.37Å; V771-A773 VanDerWaalsContact C-N 3.32Å; V771-A773 PolarHBondContact O-N 2.91Å; V771-I774 PolarHBondContact O-N 3.26Å; V771-Q775 HydrophobicContact CG1-CG 4.28Å; V771-Q775 PolarHBondContact O-N 3.28Å
772	A	80	Confident	81.8	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-43.7	173.5	0	0	0	0	0	111.7	Y318 A768 I774 Q775 D776 A781	Y318-A772 HydrophobicContact CD2-CB 3.94Å; Y318-A772 HydrophobicContact CE2-CB 4.47Å; Y318-A772 HydrophobicContact CG-CB 4.16Å; A768-A772 WeakPolarHBondContact O-CB 3.47Å; A768-A772 PolarHBondContact O-N 3.22Å; A772-I774 VanDerWaalsContact C-N 3.31Å; A772-I774 PolarHBondContact O-N 3.47Å; A772-Q775 PolarHBondContact O-N 2.99Å; A772-D776 VanDerWaalsContact O-CB 3.26Å; A772-D776 WeakPolarHBondContact O-CB 3.42Å; A772-D776 PolarHBondContact O-N 3.35Å; A772-A781 HydrophobicContact CB-CB 4.16Å
773	A	85	Confident	81.7	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-34.3	178.2	0	0	0	0	0	113.4	C139 I143 S769 K770 V771 L853	C139-A773 HydrophobicContact CB-CB 4.08Å; I143-A773 HydrophobicContact CD1-CB 4.07Å; I143-A773 WeakPolarHBondContact CD1-O 3.23Å; S769-A773 WeakPolarHBondContact O-CB 3.42Å; S769-A773 PolarHBondContact O-N 2.93Å; K770-A773 PolarHBondContact O-N 3.05Å; V771-A773 VanDerWaalsContact C-N 3.32Å; V771-A773 PolarHBondContact O-N 2.91Å; A773-L853 HydrophobicContact CB-CD1 4.32Å
774	I	82.8	Confident	81.6	Confident	72 Å²	72	33.3 Å²	33.3	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-73.2	-51.9	177.2	-64.6	162	0	0	0	110.8	V142 K770 V771 A772	V142-I774 HydrophobicContact CG1-CD1 3.41Å; V142-I774 VanDerWaalsContact CG1-CD1 3.41Å; V142-I774 HydrophobicContact CG1-CG1 3.34Å; K770-I774 HydrophobicContact CG-CD1 4.24Å; K770-I774 WeakPolarHBondContact O-CG1 3.41Å; K770-I774 PolarHBondContact O-N 2.91Å; K770-I774 VanDerWaalsContact O-N 3.13Å; V771-I774 PolarHBondContact O-N 3.26Å; A772-I774 VanDerWaalsContact C-N 3.31Å; A772-I774 PolarHBondContact O-N 3.47Å
775	Q	77.1	Confident	81.5	Confident	69 Å²	69	33.7 Å²	33.7	32%	0.322	17%	0.174	S	C	.	.	H	α-helix	trans	-82.1	-32	-167.7	-65	-169.3	22.1	0	0	113.2	Y318 Q321 V771 A772	Y318-Q775 HydrophobicContact CD1-CB 4.48Å; Y318-Q775 HydrophobicContact CE1-CB 3.66Å; Y318-Q775 HydrophobicContact CE1-CG 4.3Å; Y318-Q775 VanDerWaalsContact CE1-OE1 3.26Å; Q321-Q775 VanDerWaalsContact OE1-NE2 3.08Å; V771-Q775 HydrophobicContact CG1-CG 4.28Å; V771-Q775 PolarHBondContact O-N 3.28Å; A772-Q775 PolarHBondContact O-N 2.99Å
776	D	76.1	Confident	81.7	Confident	35 Å²	35	33.4 Å²	33.4	19%	0.187	17%	0.173	C	C	.	.			trans	-81.2	147.6	179	-76.2	-31.7	0	0	0	112.8	R149 Y318 A772 H778 A781	R149-D776 WeakPolarHBondContact CD-O 3.47Å; R149-D776 PolarHBondContact NE-O 2.95Å; Y318-D776 WeakPolarHBondContact CE2-OD1 3.39Å; Y318-D776 VanDerWaalsContact CE2-OD2 3.3Å; Y318-D776 WeakPolarHBondContact CE2-OD2 3.41Å; Y318-D776 VanDerWaalsContact CZ-OD1 3.29Å; Y318-D776 PolarHBondContact OH-OD1 2.63Å; A772-D776 VanDerWaalsContact O-CB 3.26Å; A772-D776 WeakPolarHBondContact O-CB 3.42Å; A772-D776 PolarHBondContact O-N 3.35Å; D776-H778 VanDerWaalsContact C-N 3.3Å; D776-H778 WeakPolarHBondContact CB-O 3.19Å; D776-A781 VanDerWaalsContact OD2-CB 3.24Å; D776-A781 WeakPolarHBondContact OD2-CB 3.25Å
777	Q	76.9	Confident	81.7	Confident	155 Å²	155	32.7 Å²	32.7	72%	0.724	17%	0.168	S	C	*	.	S	Bend	trans	-75.4	-19	171.9	-63.1	-176.8	1.8	0	0	113.2	R149	R149-Q777 WeakPolarHBondContact CD-O 3.26Å
778	H	85.7	Confident	82	Confident	74 Å²	74	29.1 Å²	29.1	34%	0.343	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-122.5	159.5	-177.4	-57.2	-46.8	0	0	0	111.7	K150 D776 D780	K150-H778 WeakPolarHBondContact O-CA 3.38Å; D776-H778 VanDerWaalsContact C-N 3.3Å; D776-H778 WeakPolarHBondContact CB-O 3.19Å; H778-D780 WeakPolarHBondContact CB-OD2 3.29Å
779	A	84.9	Confident	82.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-87.4	-4.7	-178.1	0	0	0	0	0	113.7	R149 K150 I151 A781 S782 V783 L853	R149-A779 HydrophobicContact CB-CB 4.19Å; K150-A779 PolarHBondContact O-N 3.04Å; I151-A779 HydrophobicContact CG1-CB 3.81Å; A779-A781 PolarHBondContact O-N 3.13Å; A779-S782 PolarHBondContact O-N 3.25Å; A779-S782 PolarHBondContact O-OG 3.07Å; A779-V783 HydrophobicContact CB-CG2 4.35Å; A779-V783 PolarHBondContact O-N 3.47Å; A779-L853 HydrophobicContact CB-CD1 3.68Å; A779-L853 HydrophobicContact CB-CG 4Å
780	D	82.2	Confident	82.6	Confident	40 Å²	40	28.9 Å²	28.9	21%	0.214	15%	0.151	C	C	.	.	H	α-helix	trans	-57.8	-45.2	-171.7	-60.9	-101.6	0	0	0	113	I151 K152 H153 H778 G784	I151-D780 VanDerWaalsContact CG2-OD1 3.28Å; I151-D780 WeakPolarHBondContact CG2-OD1 3.13Å; K152-D780 WeakPolarHBondContact CB-OD2 3.29Å; K152-D780 PolarHBondContact N-OD1 2.92Å; K152-D780 PolarHBondContact N-OD2 3.07Å; H153-D780 IonicContact CD2-OD1 2.8Å; H153-D780 PolarHBondContact N-OD1 2.84Å; H778-D780 WeakPolarHBondContact CB-OD2 3.29Å; D780-G784 WeakPolarHBondContact O-CA 3.09Å; D780-G784 PolarHBondContact O-N 3.3Å
781	A	77	Confident	82.8	Confident	24 Å²	24	25.6 Å²	25.6	20%	0.198	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-56.9	178.8	0	0	0	0	0	111	A772 D776 A779 V783 N785	A772-A781 HydrophobicContact CB-CB 4.16Å; D776-A781 VanDerWaalsContact OD2-CB 3.24Å; D776-A781 WeakPolarHBondContact OD2-CB 3.25Å; A779-A781 PolarHBondContact O-N 3.13Å; A781-V783 PolarHBondContact O-N 2.92Å; A781-N785 VanDerWaalsContact O-CB 3.32Å; A781-N785 WeakPolarHBondContact O-CB 3.12Å; A781-N785 PolarHBondContact O-N 3.22Å; A781-N785 PolarHBondContact O-ND2 3.34Å; A781-N785 PolarHBondContact O-OD1 3.47Å
782	S	83.8	Confident	83.3	Confident	1 Å²	1	25 Å²	25	1%	0.007	13%	0.134	C	C	.	.	H	α-helix	trans	-57.5	-46.2	-177.7	61.4	0	0	0	0	114.1	S769 A779 L853	S769-S782 WeakPolarHBondContact O-CB 3.47Å; A779-S782 PolarHBondContact O-N 3.25Å; A779-S782 PolarHBondContact O-OG 3.07Å; S782-L853 VanDerWaalsContact OG-CD1 3.27Å; S782-L853 WeakPolarHBondContact OG-CD1 3.34Å
783	V	85.8	Confident	83.8	Confident	2 Å²	2	25 Å²	25	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-84.2	-35.1	-176.9	-177.7	0	0	0	0	111.8	I151 F157 A779 A781 N785 V786 T787 L853	I151-V783 HydrophobicContact CD1-CB 4.41Å; I151-V783 HydrophobicContact CD1-CG1 4.26Å; F157-V783 HydrophobicContact CD2-CG1 4.22Å; F157-V783 HydrophobicContact CE2-CG1 3.57Å; F157-V783 HydrophobicContact CZ-CG1 4.48Å; A779-V783 HydrophobicContact CB-CG2 4.35Å; A779-V783 PolarHBondContact O-N 3.47Å; A781-V783 PolarHBondContact O-N 2.92Å; V783-N785 VanDerWaalsContact C-N 3.28Å; V783-N785 PolarHBondContact O-N 3.07Å; V783-V786 PolarHBondContact O-N 3.48Å; V783-T787 HydrophobicContact CG1-CG2 4.45Å; V783-T787 PolarHBondContact O-N 2.58Å; V783-T787 PolarHBondContact O-OG1 2.86Å; V783-T787 VanDerWaalsContact O-OG1 3.05Å; V783-L853 HydrophobicContact CG2-CD1 4.3Å; V783-L853 HydrophobicContact CG2-CD2 4.32Å
784	G	79.3	Confident	84.1	Confident	26 Å²	26	24.9 Å²	24.9	27%	0.268	13%	0.133	S	C	.	.	H	α-helix	trans	-61.8	-36.8	174.5	0	0	0	0	0	112	D780 V786 T787 G788	D780-G784 WeakPolarHBondContact O-CA 3.09Å; D780-G784 PolarHBondContact O-N 3.3Å; G784-V786 PolarHBondContact O-N 3.29Å; G784-T787 PolarHBondContact O-OG1 2.95Å; G784-G788 PolarHBondContact O-N 2.78Å
785	N	75.7	Confident	84.6	Confident	13 Å²	13	21.5 Å²	21.5	7%	0.07	12%	0.116	C	C	.	.	H	α-helix	trans	-58.6	-48.1	175.8	-69.6	-1.1	0	0	0	112.3	R315 A781 V783 S789	R315-N785 WeakPolarHBondContact CD-OD1 3.16Å; R315-N785 VanDerWaalsContact CG-OD1 3.23Å; R315-N785 WeakPolarHBondContact CG-OD1 3.46Å; R315-N785 PolarHBondContact NE-OD1 3.09Å; R315-N785 PolarHBondContact NH2-O 3.32Å; A781-N785 VanDerWaalsContact O-CB 3.32Å; A781-N785 WeakPolarHBondContact O-CB 3.12Å; A781-N785 PolarHBondContact O-N 3.22Å; A781-N785 PolarHBondContact O-ND2 3.34Å; A781-N785 PolarHBondContact O-OD1 3.47Å; V783-N785 VanDerWaalsContact C-N 3.28Å; V783-N785 PolarHBondContact O-N 3.07Å; N785-S789 VanDerWaalsContact O-CB 3.3Å; N785-S789 WeakPolarHBondContact O-CB 3.32Å; N785-S789 PolarHBondContact O-N 2.86Å; N785-S789 PolarHBondContact O-OG 2.95Å
786	V	86.9	Confident	85.3	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-66.9	-50.7	-178.9	169.3	0	0	0	0	110.8	N131 M132 I135 I136 V783 G784 G788 S789 N790	N131-V786 HydrophobicContact CB-CG1 4.03Å; N131-V786 VanDerWaalsContact O-CG1 3.27Å; N131-V786 WeakPolarHBondContact O-CG1 3.42Å; M132-V786 HydrophobicContact SD-CG1 3.79Å; I135-V786 HydrophobicContact CB-CG2 4.29Å; I135-V786 HydrophobicContact CG2-CG2 3.97Å; I136-V786 HydrophobicContact CD1-CG1 4.03Å; I136-V786 HydrophobicContact CG1-CG1 4.16Å; I136-V786 HydrophobicContact CG1-CG2 4.34Å; V783-V786 PolarHBondContact O-N 3.48Å; G784-V786 PolarHBondContact O-N 3.29Å; V786-G788 PolarHBondContact O-N 3.22Å; V786-S789 PolarHBondContact O-OG 3.13Å; V786-N790 WeakPolarHBondContact O-CB 3.45Å; V786-N790 PolarHBondContact O-N 3.25Å; V786-N790 VanDerWaalsContact O-N 3.11Å; V786-N790 PolarHBondContact O-ND2 3.15Å; V786-N790 PolarHBondContact O-OD1 2.99Å
787	T	87.7	Confident	86	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.8	-38.4	-177.4	53.8	0	0	0	0	112.5	M132 T160 S164 V783 G784 A791	M132-T787 HydrophobicContact CE-CG2 4.23Å; M132-T787 HydrophobicContact SD-CG2 4.4Å; T160-T787 PolarHBondContact OG1-OG1 3.49Å; S164-T787 VanDerWaalsContact CB-O 3.3Å; S164-T787 WeakPolarHBondContact CB-O 3.28Å; S164-T787 PolarHBondContact OG-O 2.88Å; V783-T787 HydrophobicContact CG1-CG2 4.45Å; V783-T787 PolarHBondContact O-N 2.58Å; V783-T787 PolarHBondContact O-OG1 2.86Å; V783-T787 VanDerWaalsContact O-OG1 3.05Å; G784-T787 PolarHBondContact O-OG1 2.95Å; T787-A791 PolarHBondContact O-N 3.08Å
788	G	85.1	Confident	86.7	Confident	1 Å²	1	10.5 Å²	10.5	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-65.1	-51.6	175.9	0	0	0	0	0	112.7	G784 V786 N790 A791 V792	G784-G788 PolarHBondContact O-N 2.78Å; V786-G788 PolarHBondContact O-N 3.22Å; G788-N790 VanDerWaalsContact C-N 3.33Å; G788-N790 PolarHBondContact O-N 2.9Å; G788-A791 PolarHBondContact O-N 2.85Å; G788-V792 WeakPolarHBondContact O-CG2 3.42Å; G788-V792 PolarHBondContact O-N 2.79Å; G788-V792 VanDerWaalsContact O-N 3.15Å
789	S	86.3	Confident	87	Confident	1 Å²	1	7 Å²	7	1%	0.007	5%	0.048	C	C	.	.	H	α-helix	trans	-59.5	-41.5	179.4	54.4	0	0	0	0	112.3	S98 N785 V786 A791 V792 N793	S98-S789 WeakPolarHBondContact OG-CB 3.49Å; N785-S789 VanDerWaalsContact O-CB 3.3Å; N785-S789 WeakPolarHBondContact O-CB 3.32Å; N785-S789 PolarHBondContact O-N 2.86Å; N785-S789 PolarHBondContact O-OG 2.95Å; V786-S789 PolarHBondContact O-OG 3.13Å; S789-A791 VanDerWaalsContact C-N 3.32Å; S789-A791 PolarHBondContact O-N 2.9Å; S789-V792 PolarHBondContact O-N 3.14Å; S789-V792 VanDerWaalsContact O-N 3.15Å; S789-N793 PolarHBondContact O-N 3.11Å; S789-N793 PolarHBondContact O-OD1 2.9Å; S789-N793 VanDerWaalsContact O-OD1 3.08Å
790	N	89.7	Confident	87.4	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.5	-38.9	178.9	-75.7	-1.6	0	0	0	113.3	A128 S164 Y168 V786 G788	A128-N790 WeakPolarHBondContact CA-OD1 2.91Å; A128-N790 PolarHBondContact O-ND2 3.47Å; S164-N790 VanDerWaalsContact OG-CB 3.31Å; S164-N790 WeakPolarHBondContact OG-CB 3.39Å; Y168-N790 HydrophobicContact CE2-CB 4.36Å; Y168-N790 WeakPolarHBondContact CE2-O 3.24Å; Y168-N790 PolarHBondContact OH-O 3.48Å; V786-N790 WeakPolarHBondContact O-CB 3.45Å; V786-N790 PolarHBondContact O-N 3.25Å; V786-N790 VanDerWaalsContact O-N 3.11Å; V786-N790 PolarHBondContact O-ND2 3.15Å; V786-N790 PolarHBondContact O-OD1 2.99Å; G788-N790 VanDerWaalsContact C-N 3.33Å; G788-N790 PolarHBondContact O-N 2.9Å
791	A	90.3	Very high	87.9	Confident	4 Å²	4	7.3 Å²	7.3	3%	0.033	5%	0.051	C	C	.	.	H	α-helix	trans	-69.8	-43.9	175.4	0	0	0	0	0	111.5	T787 G788 S789 N793 V794 F795	T787-A791 PolarHBondContact O-N 3.08Å; G788-A791 PolarHBondContact O-N 2.85Å; S789-A791 VanDerWaalsContact C-N 3.32Å; S789-A791 PolarHBondContact O-N 2.9Å; A791-N793 PolarHBondContact O-N 2.84Å; A791-V794 PolarHBondContact O-N 2.79Å; A791-F795 HydrophobicContact CB-CD2 4.25Å; A791-F795 HydrophobicContact CB-CE2 4.08Å; A791-F795 WeakPolarHBondContact O-CD2 3.32Å; A791-F795 PolarHBondContact O-N 3.06Å
792	V	90.6	Very high	88.8	Confident	4 Å²	4	6.2 Å²	6.2	2%	0.024	4%	0.042	C	C	.	.	H	α-helix	trans	-65	-36.8	-178.7	176.7	0	0	0	0	111.9	A94 I102 F195 G788 S789 V794 L796 G797	A94-V792 HydrophobicContact CB-CB 4.45Å; A94-V792 HydrophobicContact CB-CG2 3.88Å; I102-V792 HydrophobicContact CD1-CG1 4.11Å; F195-V792 HydrophobicContact CD2-CG2 4.05Å; F195-V792 HydrophobicContact CE2-CG1 4.34Å; F195-V792 HydrophobicContact CE2-CG2 3.69Å; G788-V792 WeakPolarHBondContact O-CG2 3.42Å; G788-V792 PolarHBondContact O-N 2.79Å; G788-V792 VanDerWaalsContact O-N 3.15Å; S789-V792 PolarHBondContact O-N 3.14Å; S789-V792 VanDerWaalsContact O-N 3.15Å; V792-V794 PolarHBondContact O-N 2.92Å; V792-L796 HydrophobicContact CG1-CB 4.03Å; V792-L796 HydrophobicContact CG1-CD2 4.26Å; V792-L796 WeakPolarHBondContact O-CA 3.33Å; V792-L796 VanDerWaalsContact O-CB 3.31Å; V792-L796 WeakPolarHBondContact O-CB 3.37Å; V792-L796 PolarHBondContact O-N 3.33Å; V792-G797 PolarHBondContact O-N 2.96Å
793	N	90.5	Very high	89.3	Confident	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-54.9	-40.4	176.9	-70.5	-1	0	0	0	112.2	S98 I124 S127 S789 A791 G797 I798	S98-N793 WeakPolarHBondContact CB-OD1 3.45Å; S98-N793 PolarHBondContact OG-OD1 2.92Å; I124-N793 HydrophobicContact CG2-CB 3.82Å; S127-N793 PolarHBondContact OG-ND2 3.26Å; S789-N793 PolarHBondContact O-N 3.11Å; S789-N793 PolarHBondContact O-OD1 2.9Å; S789-N793 VanDerWaalsContact O-OD1 3.08Å; A791-N793 PolarHBondContact O-N 2.84Å; N793-G797 WeakPolarHBondContact O-CA 3.28Å; N793-G797 PolarHBondContact O-N 2.9Å; N793-I798 PolarHBondContact O-N 3.24Å
794	V	92.6	Very high	89.7	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-84	-53.3	-179.8	177.4	0	0	0	0	110.9	I124 A167 Y168 L171 T191 A791 V792 L796 I798 G799	I124-V794 HydrophobicContact CG2-CG2 4.11Å; A167-V794 HydrophobicContact CB-CB 3.84Å; A167-V794 HydrophobicContact CB-CG1 4.05Å; A167-V794 HydrophobicContact CB-CG2 4.18Å; Y168-V794 HydrophobicContact CD1-CG2 4.09Å; Y168-V794 HydrophobicContact CD2-CG2 4.33Å; Y168-V794 HydrophobicContact CE1-CG2 3.59Å; Y168-V794 HydrophobicContact CE2-CG2 3.86Å; Y168-V794 HydrophobicContact CG-CG2 4.42Å; Y168-V794 VanDerWaalsContact CZ-CG2 3.43Å; L171-V794 HydrophobicContact CB-CG1 4.42Å; T191-V794 HydrophobicContact CG2-CG1 4.44Å; A791-V794 PolarHBondContact O-N 2.79Å; V792-V794 PolarHBondContact O-N 2.92Å; V794-L796 PolarHBondContact O-N 3.21Å; V794-I798 HydrophobicContact CG1-CD1 4.47Å; V794-I798 WeakPolarHBondContact O-CB 3.3Å; V794-I798 PolarHBondContact O-N 3.31Å; V794-G799 PolarHBondContact O-N 2.73Å
795	F	93.3	Very high	90.4	Very high	1 Å²	1	8 Å²	8	0%	0.004	5%	0.048	C	C	.	.	I	π-helix	trans	-65.9	-38.5	-174.2	-61	-38.2	0	0	0	112.8	W163 F166 A167 T191 L192 F194 F195 A791 G799	W163-F795 HydrophobicContact CB-CE2 4.38Å; W163-F795 HydrophobicContact CD2-CE2 4.47Å; W163-F795 AromaticContact CE3-CE2 3.63Å; W163-F795 HydrophobicContact CE3-CE2 3.63Å; W163-F795 AromaticContact CE3-CZ 3.54Å; W163-F795 HydrophobicContact CE3-CZ 3.54Å; W163-F795 HydrophobicContact CZ3-CE2 4.33Å; W163-F795 HydrophobicContact CZ3-CZ 4Å; F166-F795 HydrophobicContact CD1-CZ 4.19Å; A167-F795 HydrophobicContact CB-CD1 4.24Å; A167-F795 HydrophobicContact CB-CE1 3.57Å; A167-F795 HydrophobicContact CB-CE2 3.97Å; A167-F795 HydrophobicContact CB-CZ 3.38Å; T191-F795 HydrophobicContact CG2-CD1 4.4Å; T191-F795 WeakPolarHBondContact O-CA 3.36Å; T191-F795 WeakPolarHBondContact O-CB 3.4Å; T191-F795 WeakPolarHBondContact O-CD1 3.42Å; L192-F795 WeakPolarHBondContact CA-O 3.42Å; F194-F795 HydrophobicContact CB-CD1 3.55Å; F194-F795 HydrophobicContact CB-CD2 4.18Å; F194-F795 HydrophobicContact CB-CE1 3.55Å; F194-F795 HydrophobicContact CB-CE2 4.17Å; F194-F795 HydrophobicContact CB-CG 3.9Å; F194-F795 HydrophobicContact CB-CZ 3.89Å; F194-F795 HydrophobicContact CD2-CD1 4.27Å; F194-F795 AromaticContact CD2-CE1 3.89Å; F194-F795 HydrophobicContact CD2-CE1 3.89Å; F194-F795 HydrophobicContact CG-CD1 4.4Å; F194-F795 HydrophobicContact CG-CE1 4.08Å; F195-F795 HydrophobicContact CB-CB 3.8Å; A791-F795 HydrophobicContact CB-CD2 4.25Å; A791-F795 HydrophobicContact CB-CE2 4.08Å; A791-F795 WeakPolarHBondContact O-CD2 3.32Å; A791-F795 PolarHBondContact O-N 3.06Å; F795-G799 WeakPolarHBondContact O-CA 3.44Å
796	L	91.6	Very high	91.2	Very high	28 Å²	28	7.6 Å²	7.6	15%	0.147	5%	0.046	C	C	.	.	I	π-helix	trans	-95	-48.6	177.6	-164.2	70.2	0	0	0	111.6	L95 I102 L192 F195 V792 V794 V800	L95-L796 HydrophobicContact CD1-CD2 3.66Å; L95-L796 HydrophobicContact CG-CD2 4.22Å; I102-L796 HydrophobicContact CD1-CB 4.49Å; I102-L796 HydrophobicContact CD1-CD2 4.15Å; L192-L796 HydrophobicContact CD1-CD1 3.95Å; F195-L796 HydrophobicContact CD1-CD1 4.44Å; V792-L796 HydrophobicContact CG1-CB 4.03Å; V792-L796 HydrophobicContact CG1-CD2 4.26Å; V792-L796 WeakPolarHBondContact O-CA 3.33Å; V792-L796 VanDerWaalsContact O-CB 3.31Å; V792-L796 WeakPolarHBondContact O-CB 3.37Å; V792-L796 PolarHBondContact O-N 3.33Å; V794-L796 PolarHBondContact O-N 3.21Å; L796-V800 HydrophobicContact CD1-CG2 3.76Å; L796-V800 HydrophobicContact CG-CG2 4.19Å; L796-V800 WeakPolarHBondContact O-CB 3.38Å; L796-V800 WeakPolarHBondContact O-CG2 3.45Å; L796-V800 PolarHBondContact O-N 2.88Å
797	G	89.9	Confident	91.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-65	-58.6	-176.5	0	0	0	0	0	113.9	S105 V792 N793 A801	S105-G797 PolarHBondContact OG-O 3.46Å; V792-G797 PolarHBondContact O-N 2.96Å; N793-G797 WeakPolarHBondContact O-CA 3.28Å; N793-G797 PolarHBondContact O-N 2.9Å; G797-A801 WeakPolarHBondContact O-CB 3.09Å; G797-A801 PolarHBondContact O-N 3.18Å
798	I	91.3	Very high	91.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-72	-43.2	175.9	-61.8	-177.4	0	0	0	110.2	I124 L171 N793 V794 V800 A801 W802	I124-I798 HydrophobicContact CD1-CD1 4.4Å; I124-I798 HydrophobicContact CD1-CG1 3.63Å; I124-I798 HydrophobicContact CG2-CD1 3.99Å; I124-I798 HydrophobicContact CG2-CG1 4.26Å; L171-I798 HydrophobicContact CD1-CD1 3.9Å; L171-I798 HydrophobicContact CD1-CG2 4.17Å; L171-I798 HydrophobicContact CD2-CD1 3.6Å; L171-I798 HydrophobicContact CG-CD1 4.41Å; N793-I798 PolarHBondContact O-N 3.24Å; V794-I798 HydrophobicContact CG1-CD1 4.47Å; V794-I798 WeakPolarHBondContact O-CB 3.3Å; V794-I798 PolarHBondContact O-N 3.31Å; I798-V800 PolarHBondContact O-N 3.46Å; I798-A801 PolarHBondContact O-N 2.83Å; I798-W802 HydrophobicContact CG2-CD2 3.25Å; I798-W802 VanDerWaalsContact CG2-CE2 3.41Å; I798-W802 HydrophobicContact CG2-CE3 3.41Å; I798-W802 VanDerWaalsContact CG2-CE3 3.41Å; I798-W802 HydrophobicContact CG2-CG 3.78Å; I798-W802 HydrophobicContact CG2-CH2 3.86Å; I798-W802 HydrophobicContact CG2-CZ2 3.72Å; I798-W802 HydrophobicContact CG2-CZ3 3.73Å; I798-W802 VanDerWaalsContact O-CB 3.29Å; I798-W802 WeakPolarHBondContact O-CB 3.27Å; I798-W802 PolarHBondContact O-N 2.86Å
799	G	93.4	Very high	92.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-57.7	-45.5	-178	0	0	0	0	0	113.6	V794 F795 S803	V794-G799 PolarHBondContact O-N 2.73Å; F795-G799 WeakPolarHBondContact O-CA 3.44Å; G799-S803 WeakPolarHBondContact O-CB 3.3Å; G799-S803 PolarHBondContact O-N 3.24Å; G799-S803 PolarHBondContact O-OG 2.99Å
800	V	93.3	Very high	92.7	Very high	44 Å²	44	17.6 Å²	17.6	27%	0.267	10%	0.099	S	C	.	.	H	α-helix	trans	-67.9	-52.2	176.9	173.6	0	0	0	0	110.7	V106 L192 L796 I798 W802 S803 V804	V106-V800 HydrophobicContact CG2-CB 4.34Å; V106-V800 HydrophobicContact CG2-CG1 3.99Å; L192-V800 HydrophobicContact CD1-CG2 3.6Å; L796-V800 HydrophobicContact CD1-CG2 3.76Å; L796-V800 HydrophobicContact CG-CG2 4.19Å; L796-V800 WeakPolarHBondContact O-CB 3.38Å; L796-V800 WeakPolarHBondContact O-CG2 3.45Å; L796-V800 PolarHBondContact O-N 2.88Å; I798-V800 PolarHBondContact O-N 3.46Å; V800-W802 PolarHBondContact O-N 3.08Å; V800-S803 PolarHBondContact O-N 3.04Å; V800-V804 WeakPolarHBondContact O-CG2 3.33Å; V800-V804 PolarHBondContact O-N 3.25Å
801	A	93.1	Very high	92.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-47.5	-176	0	0	0	0	0	111.7	S105 V106 V109 G797 I798 V804 A805	S105-A801 WeakPolarHBondContact OG-CB 3.41Å; V106-A801 HydrophobicContact CG2-CB 4Å; V109-A801 HydrophobicContact CB-CB 4.46Å; V109-A801 HydrophobicContact CG2-CB 4.1Å; G797-A801 WeakPolarHBondContact O-CB 3.09Å; G797-A801 PolarHBondContact O-N 3.18Å; I798-A801 PolarHBondContact O-N 2.83Å; A801-V804 PolarHBondContact O-N 3.45Å; A801-A805 PolarHBondContact O-N 3.34Å; A801-A805 VanDerWaalsContact O-N 3.11Å
802	W	94.1	Very high	93.1	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-74.9	-30	-179.2	-67.7	6.7	0	0	0	112.9	P121 L171 I174 L175 V183 A188 I798 V800 A805 A806 F816 V818 L823	P121-W802 HydrophobicContact CG-CZ2 4.33Å; L171-W802 HydrophobicContact CD1-CH2 3.45Å; L171-W802 VanDerWaalsContact CD1-CH2 3.45Å; L171-W802 HydrophobicContact CD1-CZ2 4.45Å; L171-W802 HydrophobicContact CD1-CZ3 3.57Å; I174-W802 HydrophobicContact CD1-CE3 4.09Å; I174-W802 HydrophobicContact CD1-CZ3 3.64Å; I174-W802 HydrophobicContact CG1-CZ3 4.33Å; L175-W802 HydrophobicContact CD1-CH2 4.13Å; L175-W802 HydrophobicContact CD2-CH2 3.72Å; L175-W802 HydrophobicContact CD2-CZ3 4.05Å; L175-W802 HydrophobicContact CG-CH2 4.11Å; L175-W802 HydrophobicContact CG-CZ3 4.38Å; V183-W802 HydrophobicContact CB-CE3 4.46Å; V183-W802 HydrophobicContact CG1-CE3 4.05Å; V183-W802 HydrophobicContact CG2-CE3 3.83Å; V183-W802 HydrophobicContact CG2-CZ3 3.83Å; A188-W802 HydrophobicContact CB-CB 4.23Å; I798-W802 HydrophobicContact CG2-CD2 3.25Å; I798-W802 VanDerWaalsContact CG2-CE2 3.41Å; I798-W802 HydrophobicContact CG2-CE3 3.41Å; I798-W802 VanDerWaalsContact CG2-CE3 3.41Å; I798-W802 HydrophobicContact CG2-CG 3.78Å; I798-W802 HydrophobicContact CG2-CH2 3.86Å; I798-W802 HydrophobicContact CG2-CZ2 3.72Å; I798-W802 HydrophobicContact CG2-CZ3 3.73Å; I798-W802 VanDerWaalsContact O-CB 3.29Å; I798-W802 WeakPolarHBondContact O-CB 3.27Å; I798-W802 PolarHBondContact O-N 2.86Å; V800-W802 PolarHBondContact O-N 3.08Å; W802-A805 PolarHBondContact O-N 2.96Å; W802-A806 WeakPolarHBondContact O-CB 3.43Å; W802-A806 PolarHBondContact O-N 3.31Å; W802-F816 HydrophobicContact CB-CE1 3.97Å; W802-F816 AromaticContact CD1-CE1 3.96Å; W802-F816 HydrophobicContact CD2-CE1 4.24Å; W802-F816 AromaticContact CG-CE1 3.8Å; W802-F816 HydrophobicContact CG-CE1 3.8Å; W802-F816 HydrophobicContact CG-CZ 4.3Å; W802-V818 HydrophobicContact CH2-CG1 4.12Å; W802-V818 HydrophobicContact CZ2-CG1 3.95Å; W802-L823 HydrophobicContact CZ2-CD2 4.5Å
803	S	95	Very high	93.1	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-45.5	172.9	-67.5	0	0	0	0	110.8	A188 G799 V800 I807	A188-S803 VanDerWaalsContact C-OG 3.26Å; A188-S803 PolarHBondContact O-OG 3.29Å; G799-S803 WeakPolarHBondContact O-CB 3.3Å; G799-S803 PolarHBondContact O-N 3.24Å; G799-S803 PolarHBondContact O-OG 2.99Å; V800-S803 PolarHBondContact O-N 3.04Å; S803-I807 WeakPolarHBondContact O-CB 3.45Å; S803-I807 WeakPolarHBondContact O-CD1 3.43Å; S803-I807 WeakPolarHBondContact O-CG1 3.1Å; S803-I807 PolarHBondContact O-N 3.06Å
804	V	93.9	Very high	93.2	Very high	62 Å²	62	39.2 Å²	39.2	38%	0.376	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-47	177.4	173.2	0	0	0	0	110.8	F114 V800 A801 Y808	F114-V804 HydrophobicContact CD1-CG1 4.06Å; F114-V804 HydrophobicContact CE1-CG1 3.68Å; V800-V804 WeakPolarHBondContact O-CG2 3.33Å; V800-V804 PolarHBondContact O-N 3.25Å; A801-V804 PolarHBondContact O-N 3.45Å; V804-Y808 WeakPolarHBondContact O-CB 3.38Å; V804-Y808 PolarHBondContact O-N 2.82Å
805	A	93.5	Very high	93.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-45.3	178.8	0	0	0	0	0	113.5	V109 F114 A801 W802 I807 Y808 W809 F816	V109-A805 HydrophobicContact CG1-CB 3.65Å; F114-A805 HydrophobicContact CB-CB 4.33Å; A801-A805 PolarHBondContact O-N 3.34Å; A801-A805 VanDerWaalsContact O-N 3.11Å; W802-A805 PolarHBondContact O-N 2.96Å; A805-I807 PolarHBondContact O-N 3.39Å; A805-Y808 PolarHBondContact O-N 3.09Å; A805-W809 PolarHBondContact O-N 3.29Å; A805-F816 HydrophobicContact CB-CD1 4.31Å; A805-F816 HydrophobicContact CB-CD2 3.77Å; A805-F816 HydrophobicContact CB-CE1 4.1Å; A805-F816 HydrophobicContact CB-CE2 3.5Å; A805-F816 VanDerWaalsContact CB-CE2 3.5Å; A805-F816 HydrophobicContact CB-CG 4.18Å; A805-F816 HydrophobicContact CB-CZ 3.69Å
806	A	93.9	Very high	93	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-43.1	179.9	0	0	0	0	0	111.3	V185 A188 W802 A810 F816	V185-A806 HydrophobicContact CG2-CB 4.14Å; A188-A806 HydrophobicContact CB-CB 4.28Å; W802-A806 WeakPolarHBondContact O-CB 3.43Å; W802-A806 PolarHBondContact O-N 3.31Å; A806-A810 WeakPolarHBondContact O-CB 3.49Å; A806-A810 PolarHBondContact O-N 3.08Å; A806-F816 HydrophobicContact CB-CB 4.35Å; A806-F816 HydrophobicContact CB-CD1 4.3Å
807	I	94.6	Very high	92.9	Very high	70 Å²	70	51.3 Å²	51.3	36%	0.359	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-45.9	175.6	-68.5	167.1	0	0	0	110.5	V185 L189 S803 A805 W809 A810 I811	V185-I807 HydrophobicContact CG1-CG1 3.93Å; L189-I807 HydrophobicContact CD2-CD1 4.49Å; S803-I807 WeakPolarHBondContact O-CB 3.45Å; S803-I807 WeakPolarHBondContact O-CD1 3.43Å; S803-I807 WeakPolarHBondContact O-CG1 3.1Å; S803-I807 PolarHBondContact O-N 3.06Å; A805-I807 PolarHBondContact O-N 3.39Å; I807-W809 PolarHBondContact O-N 3.02Å; I807-A810 PolarHBondContact O-N 3.04Å; I807-I811 HydrophobicContact CG2-CD1 3.82Å; I807-I811 HydrophobicContact CG2-CG1 4.43Å; I807-I811 VanDerWaalsContact O-CG1 3.29Å; I807-I811 WeakPolarHBondContact O-CG1 3.4Å; I807-I811 PolarHBondContact O-N 3.03Å
808	Y	94.6	Very high	92.7	Very high	58 Å²	58	51.6 Å²	51.6	23%	0.227	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-47.2	178.9	170.4	-96.4	0	0	0	112.4	F114 V804 A805 I811 K812	F114-Y808 HydrophobicContact CB-CD1 3.44Å; F114-Y808 VanDerWaalsContact CB-CD1 3.44Å; F114-Y808 HydrophobicContact CB-CE1 3.72Å; F114-Y808 HydrophobicContact CB-CG 4.1Å; F114-Y808 HydrophobicContact CD1-CD1 4.32Å; F114-Y808 HydrophobicContact CD1-CG 4.12Å; F114-Y808 AromaticContact CD2-CD1 3.59Å; F114-Y808 HydrophobicContact CD2-CD1 3.59Å; F114-Y808 AromaticContact CD2-CD2 3.81Å; F114-Y808 HydrophobicContact CD2-CD2 3.81Å; F114-Y808 AromaticContact CD2-CE1 3.39Å; F114-Y808 HydrophobicContact CD2-CE1 3.39Å; F114-Y808 AromaticContact CD2-CE2 3.65Å; F114-Y808 HydrophobicContact CD2-CE2 3.65Å; F114-Y808 AromaticContact CD2-CG 3.75Å; F114-Y808 HydrophobicContact CD2-CG 3.75Å; F114-Y808 AromaticContact CD2-CZ 3.37Å; F114-Y808 HydrophobicContact CE2-CD1 4.42Å; F114-Y808 AromaticContact CE2-CD2 3.82Å; F114-Y808 HydrophobicContact CE2-CD2 3.82Å; F114-Y808 HydrophobicContact CE2-CE1 4.25Å; F114-Y808 AromaticContact CE2-CE2 3.64Å; F114-Y808 HydrophobicContact CE2-CE2 3.64Å; F114-Y808 HydrophobicContact CE2-CG 4.18Å; F114-Y808 AromaticContact CE2-CZ 3.81Å; F114-Y808 AromaticContact CG-CD1 3.52Å; F114-Y808 HydrophobicContact CG-CD1 3.52Å; F114-Y808 HydrophobicContact CG-CD2 4.21Å; F114-Y808 AromaticContact CG-CE1 3.77Å; F114-Y808 HydrophobicContact CG-CE1 3.77Å; F114-Y808 HydrophobicContact CG-CE2 4.45Å; F114-Y808 AromaticContact CG-CG 3.71Å; F114-Y808 HydrophobicContact CG-CG 3.71Å; F114-Y808 HydrophobicContact CZ-CD2 4.23Å; F114-Y808 HydrophobicContact CZ-CE2 4.43Å; V804-Y808 WeakPolarHBondContact O-CB 3.38Å; V804-Y808 PolarHBondContact O-N 2.82Å; A805-Y808 PolarHBondContact O-N 3.09Å; Y808-I811 PolarHBondContact O-N 2.92Å; Y808-K812 HydrophobicContact CE1-CD 3.97Å; Y808-K812 HydrophobicContact CE2-CD 4.26Å; Y808-K812 VanDerWaalsContact CZ-NZ 3.28Å; Y808-K812 PolarHBondContact O-N 3.16Å; Y808-K812 WeakPolarHBondContact OH-CE 3.28Å; Y808-K812 PolarHBondContact OH-NZ 2.8Å
809	W	94.1	Very high	92.2	Very high	36 Å²	36	56.2 Å²	56.2	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-70.2	-36.3	178.5	-74	115	0	0	0	112.6	F114 E115 A805 I807 I811 K812 G813 K814 F816	F114-W809 PolarHBondContact O-NE1 3.4Å; E115-W809 HydrophobicContact CG-CZ2 4.16Å; A805-W809 PolarHBondContact O-N 3.29Å; I807-W809 PolarHBondContact O-N 3.02Å; W809-I811 VanDerWaalsContact C-N 3.35Å; W809-I811 PolarHBondContact O-N 2.88Å; W809-K812 HydrophobicContact CE3-CB 4.41Å; W809-K812 HydrophobicContact CE3-CD 4.39Å; W809-K812 HydrophobicContact CZ3-CD 4.36Å; W809-K812 CarbonylContact O-C 3.57Å; W809-K812 WeakPolarHBondContact O-CA 3.43Å; W809-K812 PolarHBondContact O-N 2.77Å; W809-G813 PolarHBondContact O-N 3.47Å; W809-G813 VanDerWaalsContact O-N 3.08Å; W809-K814 CarbonylContact C-O 3.54Å; W809-K814 WeakPolarHBondContact CB-O 3.5Å; W809-K814 HydrophobicContact CE3-CB 3.78Å; W809-K814 HydrophobicContact CE3-CD 3.82Å; W809-K814 HydrophobicContact CE3-CG 4.35Å; W809-K814 HydrophobicContact CZ3-CB 4.44Å; W809-K814 HydrophobicContact CZ3-CD 3.62Å; W809-K814 PolarHBondContact O-N 2.9Å; W809-F816 HydrophobicContact CB-CB 4.4Å; W809-F816 AromaticContact CD1-CD2 3.67Å; W809-F816 HydrophobicContact CG-CB 4.49Å; W809-F816 AromaticContact NE1-CD2 3.99Å
810	A	93.3	Very high	91.4	Very high	50 Å²	50	57 Å²	57	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-42.4	174.3	0	0	0	0	0	111.9	V185 A806 I807 K812 G813	V185-A810 HydrophobicContact CG2-CB 3.64Å; A806-A810 WeakPolarHBondContact O-CB 3.49Å; A806-A810 PolarHBondContact O-N 3.08Å; I807-A810 PolarHBondContact O-N 3.04Å; A810-K812 PolarHBondContact O-N 2.91Å; A810-G813 PolarHBondContact O-N 2.88Å
811	I	94.8	Very high	90.6	Very high	140 Å²	140	56.2 Å²	56.2	72%	0.718	30%	0.302	S	S	*	.	H	α-helix	trans	-60.9	-34.9	173.9	-68.4	166.3	0	0	0	111	I807 Y808 W809 G813	I807-I811 HydrophobicContact CG2-CD1 3.82Å; I807-I811 HydrophobicContact CG2-CG1 4.43Å; I807-I811 VanDerWaalsContact O-CG1 3.29Å; I807-I811 WeakPolarHBondContact O-CG1 3.4Å; I807-I811 PolarHBondContact O-N 3.03Å; Y808-I811 PolarHBondContact O-N 2.92Å; W809-I811 VanDerWaalsContact C-N 3.35Å; W809-I811 PolarHBondContact O-N 2.88Å; I811-G813 VanDerWaalsContact C-N 3.27Å; I811-G813 PolarHBondContact O-N 3.14Å
812	K	93	Very high	90	Very high	117 Å²	117	57.3 Å²	57.3	51%	0.509	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.4	176.2	-68.8	-169.9	171.7	-166.6	0	114.2	Y808 W809 A810 K814	Y808-K812 HydrophobicContact CE1-CD 3.97Å; Y808-K812 HydrophobicContact CE2-CD 4.26Å; Y808-K812 VanDerWaalsContact CZ-NZ 3.28Å; Y808-K812 PolarHBondContact O-N 3.16Å; Y808-K812 WeakPolarHBondContact OH-CE 3.28Å; Y808-K812 PolarHBondContact OH-NZ 2.8Å; W809-K812 HydrophobicContact CE3-CB 4.41Å; W809-K812 HydrophobicContact CE3-CD 4.39Å; W809-K812 HydrophobicContact CZ3-CD 4.36Å; W809-K812 CarbonylContact O-C 3.57Å; W809-K812 WeakPolarHBondContact O-CA 3.43Å; W809-K812 PolarHBondContact O-N 2.77Å; A810-K812 PolarHBondContact O-N 2.91Å; K812-K814 PolarHBondContact O-N 2.94Å
813	G	91.6	Very high	89.5	Confident	71 Å²	71	58.3 Å²	58.3	73%	0.732	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	21.8	-177.7	0	0	0	0	0	114.2	W809 A810 I811	W809-G813 PolarHBondContact O-N 3.47Å; W809-G813 VanDerWaalsContact O-N 3.08Å; A810-G813 PolarHBondContact O-N 2.88Å; I811-G813 VanDerWaalsContact C-N 3.27Å; I811-G813 PolarHBondContact O-N 3.14Å
814	K	91.9	Very high	89.1	Confident	135 Å²	135	58 Å²	58	59%	0.587	31%	0.314	S	S	*	.			trans	-115.7	161.7	176.5	-66.9	-177.1	-178.1	-178.5	0	110.4	W809 K812	W809-K814 CarbonylContact C-O 3.54Å; W809-K814 WeakPolarHBondContact CB-O 3.5Å; W809-K814 HydrophobicContact CE3-CB 3.78Å; W809-K814 HydrophobicContact CE3-CD 3.82Å; W809-K814 HydrophobicContact CE3-CG 4.35Å; W809-K814 HydrophobicContact CZ3-CB 4.44Å; W809-K814 HydrophobicContact CZ3-CD 3.62Å; W809-K814 PolarHBondContact O-N 2.9Å; K812-K814 PolarHBondContact O-N 2.94Å
815	Q	90.3	Very high	88.9	Confident	130 Å²	130	56.8 Å²	56.8	61%	0.607	30%	0.303	S	S	*	.			trans	-93.7	141.6	176.5	-69.3	176.1	-8.2	0	0	110.6	V182 K817	V182-Q815 HydrophobicContact CG1-CB 3.86Å; V182-Q815 HydrophobicContact CG1-CG 4.28Å; Q815-K817 PolarHBondContact O-N 3.33Å
816	F	92.5	Very high	88.7	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	107.2	172.9	177.4	-127.6	0	0	0	109.5	F114 A116 V182 V183 W802 A805 A806 W809 V818	F114-F816 WeakPolarHBondContact O-CE2 3.1Å; A116-F816 HydrophobicContact CB-CE2 3.88Å; A116-F816 HydrophobicContact CB-CZ 3.76Å; V182-F816 WeakPolarHBondContact CA-O 3.43Å; V183-F816 HydrophobicContact CB-CD1 3.87Å; V183-F816 HydrophobicContact CB-CE1 4.28Å; V183-F816 HydrophobicContact CG1-CD1 4.42Å; V183-F816 PolarHBondContact N-O 3.06Å; W802-F816 HydrophobicContact CB-CE1 3.97Å; W802-F816 AromaticContact CD1-CE1 3.96Å; W802-F816 HydrophobicContact CD2-CE1 4.24Å; W802-F816 AromaticContact CG-CE1 3.8Å; W802-F816 HydrophobicContact CG-CE1 3.8Å; W802-F816 HydrophobicContact CG-CZ 4.3Å; A805-F816 HydrophobicContact CB-CD1 4.31Å; A805-F816 HydrophobicContact CB-CD2 3.77Å; A805-F816 HydrophobicContact CB-CE1 4.1Å; A805-F816 HydrophobicContact CB-CE2 3.5Å; A805-F816 VanDerWaalsContact CB-CE2 3.5Å; A805-F816 HydrophobicContact CB-CG 4.18Å; A805-F816 HydrophobicContact CB-CZ 3.69Å; A806-F816 HydrophobicContact CB-CB 4.35Å; A806-F816 HydrophobicContact CB-CD1 4.3Å; W809-F816 HydrophobicContact CB-CB 4.4Å; W809-F816 AromaticContact CD1-CD2 3.67Å; W809-F816 HydrophobicContact CG-CB 4.49Å; W809-F816 AromaticContact NE1-CD2 3.99Å; F816-V818 HydrophobicContact CD1-CG2 3.83Å; F816-V818 HydrophobicContact CE1-CG2 3.37Å; F816-V818 HydrophobicContact CE2-CG2 4.31Å; F816-V818 HydrophobicContact CG-CG2 4.43Å; F816-V818 HydrophobicContact CZ-CG2 3.66Å
817	K	88.7	Confident	88.6	Confident	148 Å²	148	57.1 Å²	57.1	64%	0.643	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.9	-176	-65.3	-177.1	178	-177.6	0	110.3	S181 V182 Q815	S181-K817 WeakPolarHBondContact O-CA 3.43Å; V182-K817 HydrophobicContact CG2-CG 4.47Å; Q815-K817 PolarHBondContact O-N 3.33Å
818	V	86.9	Confident	88.4	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.042	30%	0.299	C	S	.	.			trans	-131.1	105.3	177.6	-171	0	0	0	0	107.8	A116 L175 S181 V183 W802 F816 P820	A116-V818 HydrophobicContact CB-CB 4.29Å; A116-V818 HydrophobicContact CB-CG1 4.07Å; A116-V818 HydrophobicContact CB-CG2 3.87Å; L175-V818 HydrophobicContact CD2-CB 3.95Å; L175-V818 HydrophobicContact CD2-CG1 3.6Å; S181-V818 CarbonylContact C-O 3.55Å; S181-V818 WeakPolarHBondContact CA-O 3.34Å; S181-V818 PolarHBondContact O-N 2.84Å; V183-V818 HydrophobicContact CB-CG2 4.2Å; V183-V818 HydrophobicContact CG2-CB 4.09Å; V183-V818 HydrophobicContact CG2-CG2 3.63Å; W802-V818 HydrophobicContact CH2-CG1 4.12Å; W802-V818 HydrophobicContact CZ2-CG1 3.95Å; F816-V818 HydrophobicContact CD1-CG2 3.83Å; F816-V818 HydrophobicContact CE1-CG2 3.37Å; F816-V818 HydrophobicContact CE2-CG2 4.31Å; F816-V818 HydrophobicContact CG-CG2 4.43Å; F816-V818 HydrophobicContact CZ-CG2 3.66Å; V818-P820 WeakPolarHBondContact O-CD 3.22Å
819	D	80.8	Confident	88.3	Confident	97 Å²	97	53.8 Å²	53.8	52%	0.519	29%	0.293	S	S	.	.			trans	-68.4	123	-179	-72.8	-32	0	0	0	110.2	K1	K1-D819 IonicContact NZ-OD2 2.63Å; K1-D819 PolarHBondContact NZ-OD2 2.7Å
820	P	76.5	Confident	88.3	Confident	18 Å²	18	52.1 Å²	52.1	12%	0.117	29%	0.287	C	S	.	.			trans	-66.4	-42.5	-175.1	22	-30.6	0	0	0	112.6	L175 S181 V818 S822 L823 A824	L175-P820 HydrophobicContact CB-CB 4.27Å; S181-P820 WeakPolarHBondContact OG-CD 3.43Å; V818-P820 WeakPolarHBondContact O-CD 3.22Å; P820-S822 PolarHBondContact O-N 3.01Å; P820-L823 PolarHBondContact O-N 2.87Å; P820-L823 VanDerWaalsContact O-N 3.15Å; P820-A824 HydrophobicContact CB-CB 3.9Å; P820-A824 WeakPolarHBondContact O-CB 3.26Å; P820-A824 PolarHBondContact O-N 2.93Å
821	G	75.5	Confident	88.3	Confident	26 Å²	26	50.6 Å²	50.6	27%	0.268	27%	0.272	S	S	.	.	H	α-helix	trans	29	-126	170.8	0	0	0	0	0	116.3	L823	G821-L823 VanDerWaalsContact C-N 3.3Å; G821-L823 PolarHBondContact O-N 2.85Å
822	S	80.3	Confident	88.2	Confident	24 Å²	24	48.2 Å²	48.2	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-72.7	-20.5	-178.6	60.4	0	0	0	0	114.6	T750 P820 S826 E881	T750-S822 WeakPolarHBondContact CG2-OG 3.31Å; P820-S822 PolarHBondContact O-N 3.01Å; S822-S826 WeakPolarHBondContact O-CB 3.44Å; S822-S826 PolarHBondContact O-N 3.06Å; S822-S826 PolarHBondContact O-OG 3.13Å; S822-E881 WeakPolarHBondContact CA-OE2 3.35Å; S822-E881 WeakPolarHBondContact CB-OE2 3.43Å
823	L	83.9	Confident	88.3	Confident	23 Å²	23	43.7 Å²	43.7	12%	0.12	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-49.9	178.5	-177.2	65.1	0	0	0	110.3	P121 V125 L175 W802 P820 G821 F825 S826 V827	P121-L823 HydrophobicContact CB-CD1 3.87Å; P121-L823 HydrophobicContact CB-CD2 3.7Å; P121-L823 HydrophobicContact CB-CG 4.46Å; V125-L823 HydrophobicContact CG2-CD1 3.79Å; L175-L823 HydrophobicContact CD1-CD2 3.69Å; L175-L823 HydrophobicContact CD1-CG 4.12Å; W802-L823 HydrophobicContact CZ2-CD2 4.5Å; P820-L823 PolarHBondContact O-N 2.87Å; P820-L823 VanDerWaalsContact O-N 3.15Å; G821-L823 VanDerWaalsContact C-N 3.3Å; G821-L823 PolarHBondContact O-N 2.85Å; L823-F825 VanDerWaalsContact C-N 3.31Å; L823-F825 PolarHBondContact O-N 2.86Å; L823-S826 PolarHBondContact O-N 2.99Å; L823-V827 HydrophobicContact CD1-CG2 4.46Å; L823-V827 WeakPolarHBondContact O-CB 3.5Å; L823-V827 WeakPolarHBondContact O-CG2 3.27Å; L823-V827 PolarHBondContact O-N 2.96Å
824	A	87.2	Confident	88.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-42.9	177.3	0	0	0	0	0	111.2	Y172 P820 V827 T828 F889	Y172-A824 HydrophobicContact CD2-CB 4.49Å; P820-A824 HydrophobicContact CB-CB 3.9Å; P820-A824 WeakPolarHBondContact O-CB 3.26Å; P820-A824 PolarHBondContact O-N 2.93Å; A824-V827 PolarHBondContact O-N 2.63Å; A824-T828 PolarHBondContact O-N 2.71Å; A824-T828 PolarHBondContact O-OG1 3.27Å; A824-F889 HydrophobicContact CB-CB 4.4Å; A824-F889 HydrophobicContact CB-CD2 3.87Å; A824-F889 HydrophobicContact CB-CE2 4.48Å; A824-F889 HydrophobicContact CB-CG 4.26Å
825	F	89.1	Confident	88.5	Confident	36 Å²	36	39.4 Å²	39.4	16%	0.158	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-49	175.8	-178.4	-96.3	0	0	0	112.3	L823 V827 T828 L829 F877 E881 F889	L823-F825 VanDerWaalsContact C-N 3.31Å; L823-F825 PolarHBondContact O-N 2.86Å; F825-V827 VanDerWaalsContact C-N 3.31Å; F825-V827 PolarHBondContact O-N 3.35Å; F825-T828 PolarHBondContact O-N 3.35Å; F825-L829 HydrophobicContact CE1-CD2 4.44Å; F825-L829 PolarHBondContact O-N 3.34Å; F825-F877 HydrophobicContact CE1-CB 4.14Å; F825-F877 WeakPolarHBondContact CE1-O 3.42Å; F825-F877 HydrophobicContact CZ-CB 4.31Å; F825-E881 HydrophobicContact CB-CG 4.05Å; F825-E881 HydrophobicContact CD1-CB 3.61Å; F825-E881 HydrophobicContact CD1-CG 3.75Å; F825-E881 HydrophobicContact CD2-CG 4.05Å; F825-E881 HydrophobicContact CE1-CB 3.69Å; F825-E881 HydrophobicContact CE1-CG 4.21Å; F825-E881 HydrophobicContact CE2-CG 4.46Å; F825-E881 HydrophobicContact CG-CB 4.07Å; F825-E881 HydrophobicContact CG-CG 3.67Å; F825-E881 HydrophobicContact CZ-CB 4.2Å; F825-F889 HydrophobicContact CB-CD2 4.18Å
826	S	88.9	Confident	88.7	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-38.2	179.5	-61.2	0	0	0	0	111.8	S822 L823 L829 F830 Y874 S878	S822-S826 WeakPolarHBondContact O-CB 3.44Å; S822-S826 PolarHBondContact O-N 3.06Å; S822-S826 PolarHBondContact O-OG 3.13Å; L823-S826 PolarHBondContact O-N 2.99Å; S826-L829 PolarHBondContact O-N 3.3Å; S826-F830 WeakPolarHBondContact O-CB 3.39Å; S826-F830 PolarHBondContact O-N 2.98Å; S826-Y874 WeakPolarHBondContact O-CE2 3.35Å; S826-S878 PolarHBondContact OG-OG 3.29Å
827	V	91.4	Very high	88.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-44	175.2	170.7	0	0	0	0	111.4	V125 Y168 L171 L823 A824 F825 L829 F830 T831	V125-V827 HydrophobicContact CG1-CG2 3.97Å; V125-V827 HydrophobicContact CG2-CG2 3.65Å; Y168-V827 WeakPolarHBondContact O-CG1 3.45Å; L171-V827 HydrophobicContact CD2-CG2 3.82Å; L171-V827 HydrophobicContact CG-CG2 4.44Å; L823-V827 HydrophobicContact CD1-CG2 4.46Å; L823-V827 WeakPolarHBondContact O-CB 3.5Å; L823-V827 WeakPolarHBondContact O-CG2 3.27Å; L823-V827 PolarHBondContact O-N 2.96Å; A824-V827 PolarHBondContact O-N 2.63Å; F825-V827 VanDerWaalsContact C-N 3.31Å; F825-V827 PolarHBondContact O-N 3.35Å; V827-L829 VanDerWaalsContact C-N 3.34Å; V827-L829 PolarHBondContact O-N 3.47Å; V827-F830 PolarHBondContact O-N 2.84Å; V827-T831 WeakPolarHBondContact O-CG2 3.25Å; V827-T831 PolarHBondContact O-N 2.6Å; V827-T831 PolarHBondContact O-OG1 3.27Å; V827-T831 VanDerWaalsContact O-OG1 3.06Å
828	T	90.9	Very high	88.8	Confident	38 Å²	38	30.1 Å²	30.1	23%	0.233	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-43.9	175.1	-54.1	0	0	0	0	111.3	Y172 A824 F825 T831 I832 F889	Y172-T828 WeakPolarHBondContact CD2-OG1 3.35Å; Y172-T828 WeakPolarHBondContact CE2-OG1 3.37Å; A824-T828 PolarHBondContact O-N 2.71Å; A824-T828 PolarHBondContact O-OG1 3.27Å; F825-T828 PolarHBondContact O-N 3.35Å; T828-T831 WeakPolarHBondContact CA-OG1 3.14Å; T828-T831 PolarHBondContact O-N 3.08Å; T828-T831 PolarHBondContact O-OG1 2.81Å; T828-I832 HydrophobicContact CG2-CD1 4.17Å; T828-I832 WeakPolarHBondContact O-CG1 3.4Å; T828-I832 PolarHBondContact O-N 2.7Å; T828-F889 WeakPolarHBondContact OG1-CE2 3.49Å
829	L	92.5	Very high	89	Confident	21 Å²	21	32.6 Å²	32.6	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-45.3	179.2	-170.4	63.8	0	0	0	111.9	F825 S826 V827 T831 I832 F833 Y874 F877	F825-L829 HydrophobicContact CE1-CD2 4.44Å; F825-L829 PolarHBondContact O-N 3.34Å; S826-L829 PolarHBondContact O-N 3.3Å; V827-L829 VanDerWaalsContact C-N 3.34Å; V827-L829 PolarHBondContact O-N 3.47Å; L829-T831 PolarHBondContact O-N 2.85Å; L829-I832 PolarHBondContact O-N 3.03Å; L829-F833 HydrophobicContact CD1-CD2 4.44Å; L829-F833 HydrophobicContact CD1-CE1 4Å; L829-F833 HydrophobicContact CD1-CE2 3.77Å; L829-F833 HydrophobicContact CD1-CZ 3.53Å; L829-F833 HydrophobicContact CD2-CE2 4.29Å; L829-F833 HydrophobicContact CG-CD2 4.24Å; L829-F833 HydrophobicContact CG-CE2 3.82Å; L829-F833 HydrophobicContact CG-CZ 4.13Å; L829-F833 WeakPolarHBondContact O-CG 3.47Å; L829-F833 PolarHBondContact O-N 3.34Å; L829-F833 VanDerWaalsContact O-N 3.13Å; L829-Y874 HydrophobicContact CB-CD2 4.29Å; L829-Y874 HydrophobicContact CD2-CD2 3.84Å; L829-Y874 HydrophobicContact CD2-CG 4.49Å; L829-Y874 HydrophobicContact CG-CD2 4.04Å; L829-F877 HydrophobicContact CD2-CB 3.58Å; L829-F877 HydrophobicContact CD2-CD2 4.35Å; L829-F877 HydrophobicContact CD2-CG 4.42Å
830	F	93.6	Very high	89.6	Confident	1 Å²	1	29.3 Å²	29.3	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-48.9	175.7	168.8	-102	0	0	0	111.6	V125 A128 A129 M132 F133 Y168 S826 V827 I832 F833 A834 Y874	V125-F830 HydrophobicContact CG1-CB 4.43Å; A128-F830 HydrophobicContact CB-CE1 4.46Å; A128-F830 HydrophobicContact CB-CE2 4.02Å; A128-F830 HydrophobicContact CB-CZ 3.92Å; A128-F830 WeakPolarHBondContact O-CE2 3.08Å; A129-F830 HydrophobicContact CB-CD2 3.86Å; A129-F830 HydrophobicContact CB-CE2 4.39Å; M132-F830 HydrophobicContact CB-CE2 4.14Å; F133-F830 HydrophobicContact CE2-CD2 4.09Å; F133-F830 AromaticContact CZ-CD2 3.89Å; F133-F830 HydrophobicContact CZ-CD2 3.89Å; F133-F830 HydrophobicContact CZ-CE2 4.14Å; Y168-F830 AromaticContact CD1-CD1 3.81Å; Y168-F830 HydrophobicContact CD1-CD1 3.81Å; Y168-F830 AromaticContact CD1-CE1 3.92Å; Y168-F830 HydrophobicContact CD1-CE1 3.92Å; Y168-F830 HydrophobicContact CD2-CD1 4.07Å; Y168-F830 AromaticContact CD2-CE1 3.4Å; Y168-F830 HydrophobicContact CD2-CE1 3.4Å; Y168-F830 VanDerWaalsContact CD2-CE1 3.4Å; Y168-F830 HydrophobicContact CD2-CZ 4.32Å; Y168-F830 HydrophobicContact CE1-CD1 4.37Å; Y168-F830 HydrophobicContact CE1-CE1 4.23Å; Y168-F830 AromaticContact CE2-CE1 3.76Å; Y168-F830 HydrophobicContact CE2-CE1 3.76Å; Y168-F830 HydrophobicContact CE2-CZ 4.28Å; Y168-F830 AromaticContact CG-CD1 3.66Å; Y168-F830 HydrophobicContact CG-CD1 3.66Å; Y168-F830 AromaticContact CG-CE1 3.51Å; Y168-F830 HydrophobicContact CG-CE1 3.51Å; S826-F830 WeakPolarHBondContact O-CB 3.39Å; S826-F830 PolarHBondContact O-N 2.98Å; V827-F830 PolarHBondContact O-N 2.84Å; F830-I832 PolarHBondContact O-N 2.65Å; F830-F833 PolarHBondContact O-N 3.27Å; F830-A834 HydrophobicContact CE1-CB 4.3Å; F830-A834 HydrophobicContact CE2-CB 4.38Å; F830-A834 HydrophobicContact CZ-CB 4.15Å; F830-A834 VanDerWaalsContact O-CB 3.24Å; F830-A834 WeakPolarHBondContact O-CB 3.48Å; F830-A834 PolarHBondContact O-N 2.77Å; F830-Y874 HydrophobicContact CB-CE2 4.05Å
831	T	93	Very high	90.2	Very high	17 Å²	17	28.6 Å²	28.6	10%	0.104	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-42.4	-178.1	50.6	0	0	0	0	112.3	I169 V827 T828 L829 A834 F835	I169-T831 HydrophobicContact CG1-CG2 3.94Å; V827-T831 WeakPolarHBondContact O-CG2 3.25Å; V827-T831 PolarHBondContact O-N 2.6Å; V827-T831 PolarHBondContact O-OG1 3.27Å; V827-T831 VanDerWaalsContact O-OG1 3.06Å; T828-T831 WeakPolarHBondContact CA-OG1 3.14Å; T828-T831 PolarHBondContact O-N 3.08Å; T828-T831 PolarHBondContact O-OG1 2.81Å; L829-T831 PolarHBondContact O-N 2.85Å; T831-A834 PolarHBondContact O-N 2.83Å; T831-F835 WeakPolarHBondContact O-CD2 3.22Å; T831-F835 PolarHBondContact O-N 3.28Å; T831-F835 VanDerWaalsContact O-N 3.1Å
832	I	93.6	Very high	90.8	Very high	90 Å²	90	30.7 Å²	30.7	46%	0.462	17%	0.167	S	C	.	.	H	α-helix	trans	-59.9	-49.7	175.6	-65.7	166.8	0	0	0	110.6	T828 L829 F830 A834 F835 I836	T828-I832 HydrophobicContact CG2-CD1 4.17Å; T828-I832 WeakPolarHBondContact O-CG1 3.4Å; T828-I832 PolarHBondContact O-N 2.7Å; L829-I832 PolarHBondContact O-N 3.03Å; F830-I832 PolarHBondContact O-N 2.65Å; I832-A834 VanDerWaalsContact C-N 3.34Å; I832-A834 PolarHBondContact O-N 3.04Å; I832-F835 PolarHBondContact O-N 2.86Å; I832-I836 HydrophobicContact CG2-CD1 4.48Å; I832-I836 WeakPolarHBondContact O-CG1 3.38Å; I832-I836 PolarHBondContact O-N 2.94Å
833	F	95.5	Very high	91.2	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.096	18%	0.181	C	C	.	.	H	α-helix	trans	-69.6	-31.1	-179	-67.3	-8.5	0	0	0	112.7	F133 L829 F830 I836 C837 L870 L873	F133-F833 HydrophobicContact CE1-CB 3.91Å; F133-F833 HydrophobicContact CE2-CB 4.03Å; F133-F833 HydrophobicContact CE2-CD2 4.46Å; F133-F833 HydrophobicContact CZ-CB 3.38Å; L829-F833 HydrophobicContact CD1-CD2 4.44Å; L829-F833 HydrophobicContact CD1-CE1 4Å; L829-F833 HydrophobicContact CD1-CE2 3.77Å; L829-F833 HydrophobicContact CD1-CZ 3.53Å; L829-F833 HydrophobicContact CD2-CE2 4.29Å; L829-F833 HydrophobicContact CG-CD2 4.24Å; L829-F833 HydrophobicContact CG-CE2 3.82Å; L829-F833 HydrophobicContact CG-CZ 4.13Å; L829-F833 WeakPolarHBondContact O-CG 3.47Å; L829-F833 PolarHBondContact O-N 3.34Å; L829-F833 VanDerWaalsContact O-N 3.13Å; F830-F833 PolarHBondContact O-N 3.27Å; F833-I836 HydrophobicContact CD1-CD1 4.16Å; F833-I836 WeakPolarHBondContact O-CB 3.44Å; F833-I836 PolarHBondContact O-N 3.19Å; F833-C837 WeakPolarHBondContact O-CB 3.04Å; F833-C837 PolarHBondContact O-N 3.23Å; F833-L870 HydrophobicContact CB-CD2 4.45Å; F833-L870 HydrophobicContact CD1-CD2 3.9Å; F833-L870 HydrophobicContact CD2-CB 4.35Å; F833-L870 HydrophobicContact CD2-CD2 4.24Å; F833-L870 HydrophobicContact CE1-CD2 4.15Å; F833-L870 HydrophobicContact CE2-CD2 4.48Å; F833-L870 WeakPolarHBondContact CE2-O 3.37Å; F833-L870 HydrophobicContact CG-CD2 3.95Å; F833-L870 HydrophobicContact CZ-CD2 4.43Å; F833-L873 HydrophobicContact CE2-CB 4.11Å; F833-L873 HydrophobicContact CZ-CB 4.26Å
834	A	93.4	Very high	91.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-41	174.3	0	0	0	0	0	111.6	I165 F830 T831 I832 I836 C837 M838	I165-A834 HydrophobicContact CD1-CB 4.36Å; I165-A834 HydrophobicContact CG1-CB 4.22Å; F830-A834 HydrophobicContact CE1-CB 4.3Å; F830-A834 HydrophobicContact CE2-CB 4.38Å; F830-A834 HydrophobicContact CZ-CB 4.15Å; F830-A834 VanDerWaalsContact O-CB 3.24Å; F830-A834 WeakPolarHBondContact O-CB 3.48Å; F830-A834 PolarHBondContact O-N 2.77Å; T831-A834 PolarHBondContact O-N 2.83Å; I832-A834 VanDerWaalsContact C-N 3.34Å; I832-A834 PolarHBondContact O-N 3.04Å; A834-I836 VanDerWaalsContact C-N 3.34Å; A834-I836 PolarHBondContact O-N 2.77Å; A834-C837 PolarHBondContact O-N 3.41Å; A834-M838 WeakPolarHBondContact O-CG 3.45Å; A834-M838 PolarHBondContact O-N 3.47Å
835	F	93.8	Very high	91.5	Very high	116 Å²	116	37.3 Å²	37.3	51%	0.509	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-41.3	172.4	-82.6	-68.1	0	0	0	112.3	I165 I169 T831 I832 M838 A839	I165-F835 HydrophobicContact CD1-CD1 4.26Å; I165-F835 HydrophobicContact CD1-CE1 4.29Å; I165-F835 HydrophobicContact CG2-CD2 4.39Å; I165-F835 HydrophobicContact CG2-CE1 4.41Å; I165-F835 HydrophobicContact CG2-CE2 3.75Å; I165-F835 HydrophobicContact CG2-CZ 3.77Å; I169-F835 HydrophobicContact CD1-CE2 4.22Å; I169-F835 HydrophobicContact CD1-CZ 4.27Å; T831-F835 WeakPolarHBondContact O-CD2 3.22Å; T831-F835 PolarHBondContact O-N 3.28Å; T831-F835 VanDerWaalsContact O-N 3.1Å; I832-F835 PolarHBondContact O-N 2.86Å; F835-M838 PolarHBondContact O-N 3.46Å; F835-A839 VanDerWaalsContact O-CB 3.29Å; F835-A839 WeakPolarHBondContact O-CB 3.35Å; F835-A839 PolarHBondContact O-N 3.34Å
836	I	94.3	Very high	91.2	Very high	69 Å²	69	42.3 Å²	42.3	35%	0.354	21%	0.208	S	C	.	.	H	α-helix	trans	-61.7	-47.8	175	-63.2	171.5	0	0	0	110.1	I832 F833 A834 M838 A839 V840 L870	I832-I836 HydrophobicContact CG2-CD1 4.48Å; I832-I836 WeakPolarHBondContact O-CG1 3.38Å; I832-I836 PolarHBondContact O-N 2.94Å; F833-I836 HydrophobicContact CD1-CD1 4.16Å; F833-I836 WeakPolarHBondContact O-CB 3.44Å; F833-I836 PolarHBondContact O-N 3.19Å; A834-I836 VanDerWaalsContact C-N 3.34Å; A834-I836 PolarHBondContact O-N 2.77Å; I836-M838 PolarHBondContact O-N 3.47Å; I836-A839 PolarHBondContact O-N 3.27Å; I836-V840 HydrophobicContact CG2-CG2 4.38Å; I836-V840 VanDerWaalsContact O-CG2 3.26Å; I836-V840 WeakPolarHBondContact O-CG2 3.42Å; I836-V840 PolarHBondContact O-N 2.76Å; I836-L870 HydrophobicContact CG2-CD1 4.14Å
837	C	93	Very high	90.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-48.9	178.4	-175.7	0	0	0	0	111.7	F133 F833 A834 A839 V840 L841 F867	F133-C837 HydrophobicContact CD1-CB 4.21Å; F133-C837 HydrophobicContact CE1-CB 4.09Å; F833-C837 WeakPolarHBondContact O-CB 3.04Å; F833-C837 PolarHBondContact O-N 3.23Å; A834-C837 PolarHBondContact O-N 3.41Å; C837-A839 PolarHBondContact O-N 3.37Å; C837-V840 PolarHBondContact O-N 2.95Å; C837-L841 WeakPolarHBondContact O-CG 3.3Å; C837-L841 PolarHBondContact O-N 2.99Å; C837-F867 HydrophobicContact CB-CE1 4.27Å; C837-F867 HydrophobicContact CB-CZ 4.43Å; C837-F867 VanDerWaalsContact SG-CZ 3.55Å
838	M	90.5	Very high	89.7	Confident	17 Å²	17	52.6 Å²	52.6	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-42.1	177.9	-72	-58.8	-61.7	0	0	112.6	M132 F157 A161 I165 A834 F835 I836 V840 L841 L842	M132-M838 HydrophobicContact CE-CG 3.79Å; M132-M838 HydrophobicContact CE-SD 3.3Å; M132-M838 WeakPolarHBondContact CE-SD 3.24Å; F157-M838 HydrophobicContact CE1-CE 3.79Å; F157-M838 HydrophobicContact CE2-CE 4.05Å; F157-M838 HydrophobicContact CZ-CE 3.3Å; F157-M838 HydrophobicContact CZ-SD 4.21Å; A161-M838 HydrophobicContact CB-CE 3.37Å; A161-M838 HydrophobicContact CB-SD 4.23Å; I165-M838 HydrophobicContact CD1-CG 3.91Å; A834-M838 WeakPolarHBondContact O-CG 3.45Å; A834-M838 PolarHBondContact O-N 3.47Å; F835-M838 PolarHBondContact O-N 3.46Å; I836-M838 PolarHBondContact O-N 3.47Å; M838-V840 VanDerWaalsContact C-N 3.31Å; M838-V840 PolarHBondContact O-N 2.89Å; M838-L841 PolarHBondContact O-N 2.69Å; M838-L841 HydrophobicContact SD-CD1 4.36Å; M838-L842 WeakPolarHBondContact O-CG 3.43Å; M838-L842 PolarHBondContact O-N 3.22Å
839	A	91.4	Very high	89.2	Confident	59 Å²	59	52 Å²	52	49%	0.488	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-40	175.9	0	0	0	0	0	111.7	F835 I836 C837 L842 F843	F835-A839 VanDerWaalsContact O-CB 3.29Å; F835-A839 WeakPolarHBondContact O-CB 3.35Å; F835-A839 PolarHBondContact O-N 3.34Å; I836-A839 PolarHBondContact O-N 3.27Å; C837-A839 PolarHBondContact O-N 3.37Å; A839-L842 PolarHBondContact O-N 2.8Å; A839-F843 VanDerWaalsContact O-CB 3.26Å; A839-F843 WeakPolarHBondContact O-CB 3.27Å; A839-F843 PolarHBondContact O-N 3.04Å
840	V	92.7	Very high	88.4	Confident	29 Å²	29	51.9 Å²	51.9	18%	0.176	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-43.7	176.4	170.7	0	0	0	0	111.4	I836 C837 M838 L842 F843 R844 T863 L866 F867	I836-V840 HydrophobicContact CG2-CG2 4.38Å; I836-V840 VanDerWaalsContact O-CG2 3.26Å; I836-V840 WeakPolarHBondContact O-CG2 3.42Å; I836-V840 PolarHBondContact O-N 2.76Å; C837-V840 PolarHBondContact O-N 2.95Å; M838-V840 VanDerWaalsContact C-N 3.31Å; M838-V840 PolarHBondContact O-N 2.89Å; V840-L842 PolarHBondContact O-N 3Å; V840-F843 PolarHBondContact O-N 3.24Å; V840-R844 HydrophobicContact CG1-CG 4.37Å; V840-R844 WeakPolarHBondContact O-CB 3.47Å; V840-R844 VanDerWaalsContact O-CG 3.27Å; V840-R844 WeakPolarHBondContact O-CG 3.45Å; V840-R844 PolarHBondContact O-N 3.03Å; V840-T863 HydrophobicContact CG1-CG2 3.97Å; V840-L866 HydrophobicContact CG2-CD2 3.89Å; V840-F867 HydrophobicContact CB-CE1 3.97Å; V840-F867 HydrophobicContact CB-CZ 4.1Å; V840-F867 HydrophobicContact CG1-CE1 3.81Å; V840-F867 HydrophobicContact CG1-CZ 3.81Å; V840-F867 HydrophobicContact CG2-CE1 4.44Å
841	L	89.6	Confident	87.9	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-45.6	176.1	-70.5	176.6	0	0	0	111.6	I136 C837 M838 F843 R844 R845 F867	I136-L841 HydrophobicContact CD1-CD1 4.13Å; I136-L841 HydrophobicContact CG2-CD1 4.19Å; I136-L841 HydrophobicContact CG2-CD2 3.91Å; C837-L841 WeakPolarHBondContact O-CG 3.3Å; C837-L841 PolarHBondContact O-N 2.99Å; M838-L841 PolarHBondContact O-N 2.69Å; M838-L841 HydrophobicContact SD-CD1 4.36Å; L841-F843 VanDerWaalsContact C-N 3.32Å; L841-F843 PolarHBondContact O-N 3.19Å; L841-R844 PolarHBondContact O-N 3.17Å; L841-R845 PolarHBondContact O-N 3.41Å; L841-F867 HydrophobicContact CD2-CE2 4.26Å; L841-F867 HydrophobicContact CD2-CZ 4.35Å; L841-F867 HydrophobicContact CG-CZ 4.36Å
842	L	87.8	Confident	87.6	Confident	70 Å²	70	51.2 Å²	51.2	37%	0.366	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-35.7	175.9	-68.1	176.2	0	0	0	112.2	F157 F158 M838 A839 V840 R845	F157-L842 HydrophobicContact CE1-CD2 4.3Å; F158-L842 HydrophobicContact CE1-CD1 4.37Å; F158-L842 HydrophobicContact CE1-CD2 4.07Å; F158-L842 HydrophobicContact CZ-CD2 4.24Å; M838-L842 WeakPolarHBondContact O-CG 3.43Å; M838-L842 PolarHBondContact O-N 3.22Å; A839-L842 PolarHBondContact O-N 2.8Å; V840-L842 PolarHBondContact O-N 3Å; L842-R845 VanDerWaalsContact O-CB 3.24Å; L842-R845 WeakPolarHBondContact O-CB 2.87Å; L842-R845 PolarHBondContact O-N 2.83Å
843	F	89.3	Confident	87.4	Confident	102 Å²	102	47 Å²	47	45%	0.447	25%	0.249	S	C	.	.	H	α-helix	trans	-67	-40.1	175.5	-179.9	-93.6	0	0	0	112.3	A839 V840 L841 R845 R846 I849	A839-F843 VanDerWaalsContact O-CB 3.26Å; A839-F843 WeakPolarHBondContact O-CB 3.27Å; A839-F843 PolarHBondContact O-N 3.04Å; V840-F843 PolarHBondContact O-N 3.24Å; L841-F843 VanDerWaalsContact C-N 3.32Å; L841-F843 PolarHBondContact O-N 3.19Å; F843-R845 PolarHBondContact O-N 2.9Å; F843-R846 VanDerWaalsContact CE2-NH1 3.33Å; F843-R846 WeakPolarHBondContact O-CB 3.31Å; F843-R846 WeakPolarHBondContact O-CG 3.4Å; F843-R846 PolarHBondContact O-N 2.96Å; F843-I849 HydrophobicContact CD1-CD1 4.13Å; F843-I849 HydrophobicContact CE1-CD1 3.96Å
844	R	90.1	Very high	87	Confident	2 Å²	2	46 Å²	46	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-18.5	177.8	-76.4	172.8	55.3	97.1	11.7	113.6	V840 L841 R846 I849 G851 E852 G854 S859 T863	V840-R844 HydrophobicContact CG1-CG 4.37Å; V840-R844 WeakPolarHBondContact O-CB 3.47Å; V840-R844 VanDerWaalsContact O-CG 3.27Å; V840-R844 WeakPolarHBondContact O-CG 3.45Å; V840-R844 PolarHBondContact O-N 3.03Å; L841-R844 PolarHBondContact O-N 3.17Å; R844-R846 PolarHBondContact O-N 2.77Å; R844-R846 VanDerWaalsContact O-N 3.16Å; R844-I849 HydrophobicContact CB-CG2 4.17Å; R844-I849 HydrophobicContact CG-CD1 4.26Å; R844-I849 HydrophobicContact CG-CG2 4.27Å; R844-I849 WeakPolarHBondContact O-CB 3.48Å; R844-G851 CarbonylContact O-C 3.59Å; R844-E852 PolarHBondContact NE-O 2.92Å; R844-E852 PolarHBondContact NH2-O 2.9Å; R844-G854 PolarHBondContact NH2-O 3.21Å; R844-S859 PolarHBondContact NH1-O 2.95Å; R844-T863 PolarHBondContact NH1-OG1 2.86Å
845	R	86.3	Confident	86.7	Confident	83 Å²	83	46.3 Å²	46.3	31%	0.313	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.8	173.9	-157.9	171.6	-171.7	-130.6	-19	114.1	L154 L841 L842 F843 E852	L154-R845 VanDerWaalsContact CD1-CZ 3.5Å; L154-R845 VanDerWaalsContact CD1-NH2 3.28Å; L841-R845 PolarHBondContact O-N 3.41Å; L842-R845 VanDerWaalsContact O-CB 3.24Å; L842-R845 WeakPolarHBondContact O-CB 2.87Å; L842-R845 PolarHBondContact O-N 2.83Å; F843-R845 PolarHBondContact O-N 2.9Å; R845-E852 WeakPolarHBondContact CD-OE1 3.33Å; R845-E852 WeakPolarHBondContact CG-OE1 3.13Å; R845-E852 IonicContact NE-OE1 3.93Å; R845-E852 PolarHBondContact NE-OE1 3.44Å; R845-E852 VanDerWaalsContact NE-OE1 3.11Å
846	R	83	Confident	86.4	Confident	141 Å²	141	44 Å²	44	53%	0.532	25%	0.246	S	C	.	.	S	Bend	trans	-59.6	147.8	178.3	-74.9	179.6	-177.9	-169.3	3.2	112.1	F843 R844 S848 I849 G850	F843-R846 VanDerWaalsContact CE2-NH1 3.33Å; F843-R846 WeakPolarHBondContact O-CB 3.31Å; F843-R846 WeakPolarHBondContact O-CG 3.4Å; F843-R846 PolarHBondContact O-N 2.96Å; R844-R846 PolarHBondContact O-N 2.77Å; R844-R846 VanDerWaalsContact O-N 3.16Å; R846-S848 PolarHBondContact O-N 2.96Å; R846-I849 PolarHBondContact O-N 2.95Å; R846-G850 PolarHBondContact O-N 2.93Å; R846-G850 VanDerWaalsContact O-N 3.08Å
847	P	74.5	Confident	86	Confident	130 Å²	130	49 Å²	49	84%	0.844	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.4	-178.8	-24.5	32.6	0	0	0	114.4	I849	P847-I849 VanDerWaalsContact C-N 3.28Å; P847-I849 PolarHBondContact O-N 2.84Å
848	S	75.1	Confident	85.8	Confident	95 Å²	95	52.7 Å²	52.7	66%	0.664	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.6	180	55.6	0	0	0	0	114.6	R846	R846-S848 PolarHBondContact O-N 2.96Å
849	I	79.3	Confident	85.7	Confident	26 Å²	26	52.9 Å²	52.9	13%	0.133	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-30.7	179.6	-64.8	165.8	0	0	0	110.3	F843 R844 R846 P847 P856	F843-I849 HydrophobicContact CD1-CD1 4.13Å; F843-I849 HydrophobicContact CE1-CD1 3.96Å; R844-I849 HydrophobicContact CB-CG2 4.17Å; R844-I849 HydrophobicContact CG-CD1 4.26Å; R844-I849 HydrophobicContact CG-CG2 4.27Å; R844-I849 WeakPolarHBondContact O-CB 3.48Å; R846-I849 PolarHBondContact O-N 2.95Å; P847-I849 VanDerWaalsContact C-N 3.28Å; P847-I849 PolarHBondContact O-N 2.84Å; I849-P856 WeakPolarHBondContact O-CD 3.35Å
850	G	76.6	Confident	85.6	Confident	18 Å²	18	51.3 Å²	51.3	19%	0.186	28%	0.276	C	S	.	.			trans	95.2	-15.9	168.4	0	0	0	0	0	115.3	S148 K150 R846	S148-G850 PolarHBondContact OG-O 2.79Å; K150-G850 WeakPolarHBondContact CE-O 3.21Å; R846-G850 PolarHBondContact O-N 2.93Å; R846-G850 VanDerWaalsContact O-N 3.08Å
851	G	83.7	Confident	85.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	171.6	165.8	176.8	0	0	0	0	0	114.6	R844	R844-G851 CarbonylContact O-C 3.59Å
852	E	85.9	Confident	85.7	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.019	32%	0.318	C	S	.	.	S	Bend	trans	-60.4	-45.1	-179.9	-68.1	85.7	158.1	0	0	110.8	R149 K150 I151 R844 R845	R149-E852 PolarHBondContact O-N 2.86Å; K150-E852 WeakPolarHBondContact CA-OE2 3.41Å; I151-E852 HydrophobicContact CD1-CG 4.31Å; I151-E852 HydrophobicContact CG1-CG 4.33Å; R844-E852 PolarHBondContact NE-O 2.92Å; R844-E852 PolarHBondContact NH2-O 2.9Å; R845-E852 WeakPolarHBondContact CD-OE1 3.33Å; R845-E852 WeakPolarHBondContact CG-OE1 3.13Å; R845-E852 IonicContact NE-OE1 3.93Å; R845-E852 PolarHBondContact NE-OE1 3.44Å; R845-E852 VanDerWaalsContact NE-OE1 3.11Å
853	L	89.8	Confident	85.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148.2	174.6	-52.3	177.9	0	0	0	111.5	I136 C139 V140 I143 S148 R149 A773 A779 S782 V783	I136-L853 HydrophobicContact CG2-CD2 4.49Å; C139-L853 HydrophobicContact CB-CD1 4.2Å; C139-L853 HydrophobicContact CB-CD2 4.06Å; V140-L853 HydrophobicContact CG2-CD2 3.65Å; I143-L853 HydrophobicContact CG1-CB 4.14Å; S148-L853 WeakPolarHBondContact CA-O 3.44Å; R149-L853 HydrophobicContact CB-CB 4.22Å; R149-L853 PolarHBondContact N-O 3.09Å; R149-L853 PolarHBondContact O-N 3.38Å; A773-L853 HydrophobicContact CB-CD1 4.32Å; A779-L853 HydrophobicContact CB-CD1 3.68Å; A779-L853 HydrophobicContact CB-CG 4Å; S782-L853 VanDerWaalsContact OG-CD1 3.27Å; S782-L853 WeakPolarHBondContact OG-CD1 3.34Å; V783-L853 HydrophobicContact CG2-CD1 4.3Å; V783-L853 HydrophobicContact CG2-CD2 4.32Å
854	G	88	Confident	86.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.3	-137.7	-180	0	0	0	0	0	114.3	V140 R844	V140-G854 PolarHBondContact O-N 3.14Å; R844-G854 PolarHBondContact NH2-O 3.21Å
855	G	86.4	Confident	86.4	Confident	9 Å²	9	57.9 Å²	57.9	9%	0.093	31%	0.312	C	S	.	.			trans	88.7	-168.9	-178.9	0	0	0	0	0	114.5	Q147	Q147-G855 PolarHBondContact O-N 3.37Å
856	P	87.8	Confident	86.8	Confident	68 Å²	68	57.4 Å²	57.4	44%	0.442	32%	0.315	S	S	.	.	S	Bend	trans	-54.8	145.6	-178	-26	32.1	0	0	0	113.4	I849 A858 S859 R860	I849-P856 WeakPolarHBondContact O-CD 3.35Å; P856-A858 VanDerWaalsContact C-N 3.26Å; P856-A858 PolarHBondContact O-N 2.74Å; P856-A858 VanDerWaalsContact O-N 3.12Å; P856-S859 WeakPolarHBondContact CD-OG 3.23Å; P856-S859 PolarHBondContact O-N 2.83Å; P856-S859 VanDerWaalsContact O-N 3.11Å; P856-S859 PolarHBondContact O-OG 2.96Å; P856-R860 WeakPolarHBondContact O-CB 3.5Å; P856-R860 PolarHBondContact O-N 3.35Å
857	R	86.3	Confident	87.4	Confident	172 Å²	172	50.7 Å²	50.7	65%	0.649	29%	0.29	S	S	*	.	H	α-helix	trans	-50.5	-43.3	-176.9	-71.8	-176.2	176.3	171.1	2.1	113.5	N145 L861	N145-R857 PolarHBondContact ND2-NH2 2.68Å; N145-R857 WeakPolarHBondContact OD1-CG 3.4Å; N145-R857 PolarHBondContact OD1-NE 3.48Å; R857-L861 VanDerWaalsContact O-CB 3.3Å; R857-L861 WeakPolarHBondContact O-CB 3.2Å; R857-L861 PolarHBondContact O-N 3.12Å
858	A	88.2	Confident	88.4	Confident	78 Å²	78	47.1 Å²	47.1	65%	0.645	26%	0.264	S	S	*	.	H	α-helix	trans	-67.1	-45.7	-179	0	0	0	0	0	112.8	P856 L862	P856-A858 VanDerWaalsContact C-N 3.26Å; P856-A858 PolarHBondContact O-N 2.74Å; P856-A858 VanDerWaalsContact O-N 3.12Å; A858-L862 VanDerWaalsContact O-CB 3.31Å; A858-L862 WeakPolarHBondContact O-CB 3.44Å; A858-L862 PolarHBondContact O-N 3.09Å
859	S	87.3	Confident	89.4	Confident	22 Å²	22	43.9 Å²	43.9	15%	0.154	25%	0.245	C	C	.	.	H	α-helix	trans	-70.4	-36.2	179.7	60.4	0	0	0	0	111.8	R844 P856 T863	R844-S859 PolarHBondContact NH1-O 2.95Å; P856-S859 WeakPolarHBondContact CD-OG 3.23Å; P856-S859 PolarHBondContact O-N 2.83Å; P856-S859 VanDerWaalsContact O-N 3.11Å; P856-S859 PolarHBondContact O-OG 2.96Å; S859-T863 WeakPolarHBondContact O-CB 3.41Å; S859-T863 PolarHBondContact O-N 3.44Å; S859-T863 PolarHBondContact O-OG1 2.93Å
860	R	89.6	Confident	90.2	Very high	25 Å²	25	43.2 Å²	43.2	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-55.3	172	-165.9	-177.5	86.4	174.2	7.4	111.1	V140 W141 I143 P856 L862 T863 T864	V140-R860 HydrophobicContact CG1-CG 3.81Å; V140-R860 VanDerWaalsContact O-CD 3.22Å; V140-R860 WeakPolarHBondContact O-CD 3.22Å; V140-R860 WeakPolarHBondContact O-CG 3.29Å; W141-R860 VanDerWaalsContact CD2-NH2 3.34Å; W141-R860 VanDerWaalsContact CE2-NH2 3.25Å; W141-R860 HydrophobicContact CE3-CG 4.17Å; W141-R860 VanDerWaalsContact CZ3-NH2 3.3Å; W141-R860 WeakPolarHBondContact O-CD 3.16Å; W141-R860 PolarHBondContact O-NE 3.25Å; W141-R860 PolarHBondContact O-NH1 2.85Å; W141-R860 PolarHBondContact O-NH2 3.28Å; I143-R860 PolarHBondContact O-NH1 2.81Å; P856-R860 WeakPolarHBondContact O-CB 3.5Å; P856-R860 PolarHBondContact O-N 3.35Å; R860-L862 PolarHBondContact O-N 2.82Å; R860-T863 PolarHBondContact O-N 2.82Å; R860-T864 PolarHBondContact O-N 3.29Å; R860-T864 PolarHBondContact O-OG1 3.08Å
861	L	91.4	Very high	91.1	Very high	78 Å²	78	44.3 Å²	44.3	41%	0.408	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-47.7	179.7	-179.1	64.6	0	0	0	111.9	W141 R857 T863 T864 M865	W141-L861 HydrophobicContact CH2-CD1 4.42Å; W141-L861 HydrophobicContact CZ3-CB 4.23Å; W141-L861 HydrophobicContact CZ3-CD1 3.92Å; R857-L861 VanDerWaalsContact O-CB 3.3Å; R857-L861 WeakPolarHBondContact O-CB 3.2Å; R857-L861 PolarHBondContact O-N 3.12Å; L861-T863 VanDerWaalsContact C-N 3.31Å; L861-T863 PolarHBondContact O-N 2.8Å; L861-T864 PolarHBondContact O-N 3.42Å; L861-M865 HydrophobicContact CD1-CE 3.85Å; L861-M865 HydrophobicContact CD1-CG 4.07Å; L861-M865 HydrophobicContact CG-CG 4.4Å; L861-M865 WeakPolarHBondContact O-CB 3.37Å; L861-M865 VanDerWaalsContact O-CG 3.27Å; L861-M865 WeakPolarHBondContact O-CG 3.25Å; L861-M865 PolarHBondContact O-N 3.02Å
862	L	92.6	Very high	91.6	Very high	128 Å²	128	49.2 Å²	49.2	67%	0.67	27%	0.266	S	S	*	.	H	α-helix	trans	-59.1	-43.1	179.9	-171.1	96.7	0	0	0	111.6	A858 R860 L866	A858-L862 VanDerWaalsContact O-CB 3.31Å; A858-L862 WeakPolarHBondContact O-CB 3.44Å; A858-L862 PolarHBondContact O-N 3.09Å; R860-L862 PolarHBondContact O-N 2.82Å; L862-L866 VanDerWaalsContact O-CB 3.3Å; L862-L866 WeakPolarHBondContact O-CB 3.46Å; L862-L866 PolarHBondContact O-N 2.9Å
863	T	93.2	Very high	92	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.049	29%	0.285	C	S	.	.	H	α-helix	trans	-70.5	-44.9	-178.7	-55.9	0	0	0	0	111.5	V140 V840 R844 S859 R860 L861 M865 L866 F867	V140-T863 HydrophobicContact CG1-CG2 4.3Å; V140-T863 HydrophobicContact CG2-CG2 4.38Å; V840-T863 HydrophobicContact CG1-CG2 3.97Å; R844-T863 PolarHBondContact NH1-OG1 2.86Å; S859-T863 WeakPolarHBondContact O-CB 3.41Å; S859-T863 PolarHBondContact O-N 3.44Å; S859-T863 PolarHBondContact O-OG1 2.93Å; R860-T863 PolarHBondContact O-N 2.82Å; L861-T863 VanDerWaalsContact C-N 3.31Å; L861-T863 PolarHBondContact O-N 2.8Å; T863-M865 VanDerWaalsContact C-N 3.33Å; T863-M865 PolarHBondContact O-N 3.31Å; T863-L866 PolarHBondContact O-N 3.22Å; T863-F867 HydrophobicContact CG2-CD2 4.21Å; T863-F867 HydrophobicContact CG2-CE1 4.2Å; T863-F867 HydrophobicContact CG2-CE2 3.82Å; T863-F867 HydrophobicContact CG2-CZ 3.83Å; T863-F867 WeakPolarHBondContact O-CG 3.42Å; T863-F867 PolarHBondContact O-N 3.06Å
864	T	93.7	Very high	92.2	Very high	12 Å²	12	52.9 Å²	52.9	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-43.9	176.5	-60.3	0	0	0	0	110.9	G137 W141 R860 L861 L866 F867 L868	G137-T864 WeakPolarHBondContact O-CG2 3.47Å; G137-T864 PolarHBondContact O-OG1 2.85Å; W141-T864 HydrophobicContact CB-CG2 4.16Å; R860-T864 PolarHBondContact O-N 3.29Å; R860-T864 PolarHBondContact O-OG1 3.08Å; L861-T864 PolarHBondContact O-N 3.42Å; T864-L866 PolarHBondContact O-N 3.22Å; T864-F867 PolarHBondContact O-N 2.76Å; T864-L868 HydrophobicContact CG2-CD1 4.01Å; T864-L868 HydrophobicContact CG2-CG 4.43Å; T864-L868 WeakPolarHBondContact O-CB 3.46Å; T864-L868 WeakPolarHBondContact O-CG 3.35Å; T864-L868 PolarHBondContact O-N 3.11Å
865	M	95.1	Very high	92.4	Very high	117 Å²	117	54 Å²	54	58%	0.576	29%	0.291	S	S	*	.	H	α-helix	trans	-64.9	-38.9	176.4	-71.7	-64.2	167.3	0	0	112.5	L861 T863 G869	L861-M865 HydrophobicContact CD1-CE 3.85Å; L861-M865 HydrophobicContact CD1-CG 4.07Å; L861-M865 HydrophobicContact CG-CG 4.4Å; L861-M865 WeakPolarHBondContact O-CB 3.37Å; L861-M865 VanDerWaalsContact O-CG 3.27Å; L861-M865 WeakPolarHBondContact O-CG 3.25Å; L861-M865 PolarHBondContact O-N 3.02Å; T863-M865 VanDerWaalsContact C-N 3.33Å; T863-M865 PolarHBondContact O-N 3.31Å; M865-G869 PolarHBondContact O-N 3.36Å
866	L	95.9	Very high	92.7	Very high	73 Å²	73	59 Å²	59	38%	0.382	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-49.1	174.6	177.8	65.6	0	0	0	111.1	V840 L862 T863 T864 G869 L870	V840-L866 HydrophobicContact CG2-CD2 3.89Å; L862-L866 VanDerWaalsContact O-CB 3.3Å; L862-L866 WeakPolarHBondContact O-CB 3.46Å; L862-L866 PolarHBondContact O-N 2.9Å; T863-L866 PolarHBondContact O-N 3.22Å; T864-L866 PolarHBondContact O-N 3.22Å; L866-G869 PolarHBondContact O-N 3.42Å; L866-L870 HydrophobicContact CG-CD1 4.45Å; L866-L870 WeakPolarHBondContact O-CG 3.34Å; L866-L870 PolarHBondContact O-N 2.93Å
867	F	95.9	Very high	92.9	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-42	-177.2	-68	-5.9	0	0	0	112.5	F133 I136 C837 V840 L841 T863 T864 G869 L870 W871	F133-F867 VanDerWaalsContact O-CB 3.3Å; F133-F867 WeakPolarHBondContact O-CB 3.37Å; I136-F867 HydrophobicContact CB-CD2 4.43Å; I136-F867 HydrophobicContact CB-CE2 4.4Å; I136-F867 HydrophobicContact CG2-CD2 4.22Å; I136-F867 HydrophobicContact CG2-CE2 3.75Å; C837-F867 HydrophobicContact CB-CE1 4.27Å; C837-F867 HydrophobicContact CB-CZ 4.43Å; C837-F867 VanDerWaalsContact SG-CZ 3.55Å; V840-F867 HydrophobicContact CB-CE1 3.97Å; V840-F867 HydrophobicContact CB-CZ 4.1Å; V840-F867 HydrophobicContact CG1-CE1 3.81Å; V840-F867 HydrophobicContact CG1-CZ 3.81Å; V840-F867 HydrophobicContact CG2-CE1 4.44Å; L841-F867 HydrophobicContact CD2-CE2 4.26Å; L841-F867 HydrophobicContact CD2-CZ 4.35Å; L841-F867 HydrophobicContact CG-CZ 4.36Å; T863-F867 HydrophobicContact CG2-CD2 4.21Å; T863-F867 HydrophobicContact CG2-CE1 4.2Å; T863-F867 HydrophobicContact CG2-CE2 3.82Å; T863-F867 HydrophobicContact CG2-CZ 3.83Å; T863-F867 WeakPolarHBondContact O-CG 3.42Å; T863-F867 PolarHBondContact O-N 3.06Å; T864-F867 PolarHBondContact O-N 2.76Å; F867-G869 VanDerWaalsContact C-N 3.29Å; F867-G869 PolarHBondContact O-N 3.48Å; F867-L870 HydrophobicContact CD1-CD1 4.3Å; F867-L870 PolarHBondContact O-N 3.21Å; F867-W871 PolarHBondContact O-N 3.36Å; F867-W871 VanDerWaalsContact O-N 3.07Å
868	L	94.9	Very high	93.1	Very high	56 Å²	56	51.2 Å²	51.2	29%	0.293	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-38.8	171.9	-67.8	176.6	0	0	0	111.5	V134 T864 W871 L872	V134-L868 HydrophobicContact CB-CD2 4.44Å; V134-L868 HydrophobicContact CG1-CD2 4.04Å; V134-L868 HydrophobicContact CG2-CD2 4.23Å; T864-L868 HydrophobicContact CG2-CD1 4.01Å; T864-L868 HydrophobicContact CG2-CG 4.43Å; T864-L868 WeakPolarHBondContact O-CB 3.46Å; T864-L868 WeakPolarHBondContact O-CG 3.35Å; T864-L868 PolarHBondContact O-N 3.11Å; L868-W871 PolarHBondContact O-N 3.15Å; L868-L872 WeakPolarHBondContact O-CG 3.35Å; L868-L872 PolarHBondContact O-N 3.16Å
869	G	95.8	Very high	93.1	Very high	27 Å²	27	48.8 Å²	48.8	28%	0.278	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-42.9	173.9	0	0	0	0	0	113	M865 L866 F867 W871 L872 L873	M865-G869 PolarHBondContact O-N 3.36Å; L866-G869 PolarHBondContact O-N 3.42Å; F867-G869 VanDerWaalsContact C-N 3.29Å; F867-G869 PolarHBondContact O-N 3.48Å; G869-W871 VanDerWaalsContact C-N 3.32Å; G869-W871 PolarHBondContact O-N 2.87Å; G869-L872 PolarHBondContact O-N 2.89Å; G869-L873 WeakPolarHBondContact O-CB 3.3Å; G869-L873 VanDerWaalsContact O-CG 3.29Å; G869-L873 WeakPolarHBondContact O-CG 3.49Å; G869-L873 PolarHBondContact O-N 3.16Å
870	L	95.8	Very high	93.2	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-40.2	175.2	-72	175.2	0	0	0	111.8	F833 I836 L866 F867 L873 Y874	F833-L870 HydrophobicContact CB-CD2 4.45Å; F833-L870 HydrophobicContact CD1-CD2 3.9Å; F833-L870 HydrophobicContact CD2-CB 4.35Å; F833-L870 HydrophobicContact CD2-CD2 4.24Å; F833-L870 HydrophobicContact CE1-CD2 4.15Å; F833-L870 HydrophobicContact CE2-CD2 4.48Å; F833-L870 WeakPolarHBondContact CE2-O 3.37Å; F833-L870 HydrophobicContact CG-CD2 3.95Å; F833-L870 HydrophobicContact CZ-CD2 4.43Å; I836-L870 HydrophobicContact CG2-CD1 4.14Å; L866-L870 HydrophobicContact CG-CD1 4.45Å; L866-L870 WeakPolarHBondContact O-CG 3.34Å; L866-L870 PolarHBondContact O-N 2.93Å; F867-L870 HydrophobicContact CD1-CD1 4.3Å; F867-L870 PolarHBondContact O-N 3.21Å; L870-L873 PolarHBondContact O-N 3.06Å; L870-Y874 VanDerWaalsContact O-CB 3.29Å; L870-Y874 WeakPolarHBondContact O-CB 3.49Å; L870-Y874 PolarHBondContact O-N 2.92Å
871	W	95.3	Very high	93.1	Very high	41 Å²	41	49.3 Å²	49.3	16%	0.155	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-43.2	176	179	72.4	0	0	0	112.8	F130 F133 V134 L759 F867 L868 G869 Y874 I875	F130-W871 AromaticContact CD2-CE2 3.78Å; F130-W871 AromaticContact CD2-CZ2 3.78Å; F130-W871 HydrophobicContact CD2-CZ2 3.78Å; F130-W871 AromaticContact CD2-NE1 3.72Å; F130-W871 HydrophobicContact CE2-CZ2 4.14Å; F133-W871 HydrophobicContact CB-CB 3.96Å; F133-W871 HydrophobicContact CD2-CB 4.23Å; V134-W871 HydrophobicContact CG2-CB 3.87Å; V134-W871 HydrophobicContact CG2-CD2 3.51Å; V134-W871 HydrophobicContact CG2-CE3 3.99Å; V134-W871 HydrophobicContact CG2-CG 3.45Å; V134-W871 VanDerWaalsContact CG2-CG 3.45Å; L759-W871 HydrophobicContact CD1-CH2 4.21Å; L759-W871 HydrophobicContact CD1-CZ2 4.21Å; F867-W871 PolarHBondContact O-N 3.36Å; F867-W871 VanDerWaalsContact O-N 3.07Å; L868-W871 PolarHBondContact O-N 3.15Å; G869-W871 VanDerWaalsContact C-N 3.32Å; G869-W871 PolarHBondContact O-N 2.87Å; W871-Y874 WeakPolarHBondContact O-CB 3.21Å; W871-Y874 PolarHBondContact O-N 2.86Å; W871-I875 HydrophobicContact CD2-CD1 3.91Å; W871-I875 HydrophobicContact CE3-CD1 4.27Å; W871-I875 HydrophobicContact CH2-CD1 3.69Å; W871-I875 HydrophobicContact CZ2-CD1 3.27Å; W871-I875 HydrophobicContact CZ3-CD1 4.16Å; W871-I875 PolarHBondContact O-N 2.73Å
872	L	94.8	Very high	92.8	Very high	104 Å²	104	45.9 Å²	45.9	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-41.5	175.2	-71.3	174.7	0	0	0	112	L868 G869 Y874 I875 F876	L868-L872 WeakPolarHBondContact O-CG 3.35Å; L868-L872 PolarHBondContact O-N 3.16Å; G869-L872 PolarHBondContact O-N 2.89Å; L872-Y874 VanDerWaalsContact C-N 3.31Å; L872-Y874 PolarHBondContact O-N 2.88Å; L872-I875 PolarHBondContact O-N 3.47Å; L872-F876 VanDerWaalsContact O-CB 3.27Å; L872-F876 WeakPolarHBondContact O-CB 3.18Å; L872-F876 PolarHBondContact O-N 2.87Å
873	L	94.9	Very high	92.5	Very high	79 Å²	79	43.5 Å²	43.5	41%	0.414	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-40.1	173.8	-74.1	172.1	0	0	0	111.4	F833 G869 L870 F876 F877	F833-L873 HydrophobicContact CE2-CB 4.11Å; F833-L873 HydrophobicContact CZ-CB 4.26Å; G869-L873 WeakPolarHBondContact O-CB 3.3Å; G869-L873 VanDerWaalsContact O-CG 3.29Å; G869-L873 WeakPolarHBondContact O-CG 3.49Å; G869-L873 PolarHBondContact O-N 3.16Å; L870-L873 PolarHBondContact O-N 3.06Å; L873-F876 PolarHBondContact O-N 2.91Å; L873-F877 HydrophobicContact CB-CD2 4.34Å; L873-F877 HydrophobicContact CB-CE2 4.31Å; L873-F877 HydrophobicContact CD2-CE2 4Å; L873-F877 WeakPolarHBondContact O-CD2 3.5Å; L873-F877 PolarHBondContact O-N 3.32Å
874	Y	94.3	Very high	92	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-53.2	175.7	170.1	-97.4	0	0	0	111.3	V125 A129 V754 S826 L829 F830 L870 W871 L872 F876 F877 S878	V125-Y874 WeakPolarHBondContact CG1-OH 3.44Å; A129-Y874 HydrophobicContact CB-CD1 3.71Å; A129-Y874 HydrophobicContact CB-CD2 4.43Å; A129-Y874 HydrophobicContact CB-CE1 3.51Å; A129-Y874 HydrophobicContact CB-CE2 4.27Å; A129-Y874 HydrophobicContact CB-CG 4.18Å; V754-Y874 HydrophobicContact CG1-CD1 4.48Å; V754-Y874 HydrophobicContact CG1-CE1 3.61Å; S826-Y874 WeakPolarHBondContact O-CE2 3.35Å; L829-Y874 HydrophobicContact CB-CD2 4.29Å; L829-Y874 HydrophobicContact CD2-CD2 3.84Å; L829-Y874 HydrophobicContact CD2-CG 4.49Å; L829-Y874 HydrophobicContact CG-CD2 4.04Å; F830-Y874 HydrophobicContact CB-CE2 4.05Å; L870-Y874 VanDerWaalsContact O-CB 3.29Å; L870-Y874 WeakPolarHBondContact O-CB 3.49Å; L870-Y874 PolarHBondContact O-N 2.92Å; W871-Y874 WeakPolarHBondContact O-CB 3.21Å; W871-Y874 PolarHBondContact O-N 2.86Å; L872-Y874 VanDerWaalsContact C-N 3.31Å; L872-Y874 PolarHBondContact O-N 2.88Å; Y874-F876 VanDerWaalsContact C-N 3.32Å; Y874-F876 PolarHBondContact O-N 3.45Å; Y874-F877 PolarHBondContact O-N 3.15Å; Y874-S878 VanDerWaalsContact O-CB 3.32Å; Y874-S878 WeakPolarHBondContact O-CB 3.38Å; Y874-S878 PolarHBondContact O-N 2.79Å; Y874-S878 PolarHBondContact O-OG 2.88Å
875	I	91.9	Very high	91.6	Very high	24 Å²	24	52.3 Å²	52.3	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-45.2	176.8	-70.9	174.3	0	0	0	111.1	V755 W871 L872 S879	V755-I875 HydrophobicContact CG2-CD1 4.38Å; V755-I875 HydrophobicContact CG2-CG1 4.37Å; V755-I875 HydrophobicContact CG2-CG2 3.71Å; W871-I875 HydrophobicContact CD2-CD1 3.91Å; W871-I875 HydrophobicContact CE3-CD1 4.27Å; W871-I875 HydrophobicContact CH2-CD1 3.69Å; W871-I875 HydrophobicContact CZ2-CD1 3.27Å; W871-I875 HydrophobicContact CZ3-CD1 4.16Å; W871-I875 PolarHBondContact O-N 2.73Å; L872-I875 PolarHBondContact O-N 3.47Å; I875-S879 VanDerWaalsContact O-CB 3.24Å; I875-S879 WeakPolarHBondContact O-CB 3.47Å; I875-S879 PolarHBondContact O-N 2.79Å; I875-S879 PolarHBondContact O-OG 3.11Å
876	F	92.5	Very high	91.2	Very high	116 Å²	116	49.6 Å²	49.6	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-51.6	-177.7	179.8	-106.8	0	0	0	111.9	L872 L873 Y874 S879 L880	L872-F876 VanDerWaalsContact O-CB 3.27Å; L872-F876 WeakPolarHBondContact O-CB 3.18Å; L872-F876 PolarHBondContact O-N 2.87Å; L873-F876 PolarHBondContact O-N 2.91Å; Y874-F876 VanDerWaalsContact C-N 3.32Å; Y874-F876 PolarHBondContact O-N 3.45Å; F876-S879 PolarHBondContact O-N 3.01Å; F876-L880 HydrophobicContact CD1-CD1 3.97Å; F876-L880 HydrophobicContact CE1-CD1 3.41Å; F876-L880 VanDerWaalsContact CE1-CD1 3.41Å; F876-L880 HydrophobicContact CE1-CG 4.32Å; F876-L880 HydrophobicContact CE2-CD1 4.18Å; F876-L880 HydrophobicContact CE2-CG 4.36Å; F876-L880 HydrophobicContact CZ-CD1 3.54Å; F876-L880 HydrophobicContact CZ-CG 4.21Å; F876-L880 WeakPolarHBondContact O-CG 3.44Å; F876-L880 PolarHBondContact O-N 3.33Å
877	F	92.3	Very high	90.2	Very high	68 Å²	68	55.9 Å²	55.9	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-41.3	-179.5	-73.5	-58.9	0	0	0	112.5	F825 L829 L873 Y874 S879 L880 E881 I886	F825-F877 HydrophobicContact CE1-CB 4.14Å; F825-F877 WeakPolarHBondContact CE1-O 3.42Å; F825-F877 HydrophobicContact CZ-CB 4.31Å; L829-F877 HydrophobicContact CD2-CB 3.58Å; L829-F877 HydrophobicContact CD2-CD2 4.35Å; L829-F877 HydrophobicContact CD2-CG 4.42Å; L873-F877 HydrophobicContact CB-CD2 4.34Å; L873-F877 HydrophobicContact CB-CE2 4.31Å; L873-F877 HydrophobicContact CD2-CE2 4Å; L873-F877 WeakPolarHBondContact O-CD2 3.5Å; L873-F877 PolarHBondContact O-N 3.32Å; Y874-F877 PolarHBondContact O-N 3.15Å; F877-S879 VanDerWaalsContact C-N 3.28Å; F877-S879 PolarHBondContact O-N 2.95Å; F877-L880 PolarHBondContact O-N 3.39Å; F877-E881 PolarHBondContact O-N 2.89Å; F877-I886 HydrophobicContact CD1-CD1 3.84Å; F877-I886 HydrophobicContact CE1-CD1 4.35Å
878	S	89.4	Confident	89.1	Confident	7 Å²	7	57.5 Å²	57.5	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-37.6	174.8	-73.9	0	0	0	0	111.8	S826 Y874 A882	S826-S878 PolarHBondContact OG-OG 3.29Å; Y874-S878 VanDerWaalsContact O-CB 3.32Å; Y874-S878 WeakPolarHBondContact O-CB 3.38Å; Y874-S878 PolarHBondContact O-N 2.79Å; Y874-S878 PolarHBondContact O-OG 2.88Å; S878-A882 WeakPolarHBondContact O-CB 3.26Å; S878-A882 PolarHBondContact O-N 3.03Å
879	S	88.6	Confident	87.4	Confident	27 Å²	27	61.4 Å²	61.4	19%	0.189	31%	0.31	C	S	.	.	H	α-helix	trans	-69	-44.1	175.5	-58.1	0	0	0	0	111.9	I875 F876 F877 E881 A882 Y883	I875-S879 VanDerWaalsContact O-CB 3.24Å; I875-S879 WeakPolarHBondContact O-CB 3.47Å; I875-S879 PolarHBondContact O-N 2.79Å; I875-S879 PolarHBondContact O-OG 3.11Å; F876-S879 PolarHBondContact O-N 3.01Å; F877-S879 VanDerWaalsContact C-N 3.28Å; F877-S879 PolarHBondContact O-N 2.95Å; S879-E881 VanDerWaalsContact C-N 3.28Å; S879-E881 PolarHBondContact O-N 3.24Å; S879-A882 PolarHBondContact O-N 2.87Å; S879-Y883 WeakPolarHBondContact O-CD2 3.27Å; S879-Y883 PolarHBondContact O-N 2.96Å; S879-Y883 VanDerWaalsContact O-N 3.12Å
880	L	89.4	Confident	87	Confident	42 Å²	42	63.2 Å²	63.2	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-37.1	177.9	-75.4	-177.8	0	0	0	112.6	F876 F877 C884 H885 I886	F876-L880 HydrophobicContact CD1-CD1 3.97Å; F876-L880 HydrophobicContact CE1-CD1 3.41Å; F876-L880 VanDerWaalsContact CE1-CD1 3.41Å; F876-L880 HydrophobicContact CE1-CG 4.32Å; F876-L880 HydrophobicContact CE2-CD1 4.18Å; F876-L880 HydrophobicContact CE2-CG 4.36Å; F876-L880 HydrophobicContact CZ-CD1 3.54Å; F876-L880 HydrophobicContact CZ-CG 4.21Å; F876-L880 WeakPolarHBondContact O-CG 3.44Å; F876-L880 PolarHBondContact O-N 3.33Å; F877-L880 PolarHBondContact O-N 3.39Å; L880-C884 PolarHBondContact O-N 2.76Å; L880-H885 HydrophobicContact CB-CB 4.32Å; L880-H885 HydrophobicContact CD2-CB 3.93Å; L880-H885 WeakPolarHBondContact O-CB 3.3Å; L880-H885 PolarHBondContact O-N 3.33Å; L880-I886 HydrophobicContact CB-CD1 3.8Å; L880-I886 HydrophobicContact CB-CG1 4.09Å; L880-I886 HydrophobicContact CD1-CD1 3.73Å; L880-I886 HydrophobicContact CD1-CG1 4.38Å; L880-I886 HydrophobicContact CG-CD1 4.46Å; L880-I886 PolarHBondContact O-N 3.38Å
881	E	87.8	Confident	86.6	Confident	16 Å²	16	65.9 Å²	65.9	8%	0.075	33%	0.325	C	S	.	.	H	α-helix	trans	-71.2	-42	175.6	-172.2	-79.5	165.4	0	0	111.6	S822 F825 F877 S879 Y883 C884	S822-E881 WeakPolarHBondContact CA-OE2 3.35Å; S822-E881 WeakPolarHBondContact CB-OE2 3.43Å; F825-E881 HydrophobicContact CB-CG 4.05Å; F825-E881 HydrophobicContact CD1-CB 3.61Å; F825-E881 HydrophobicContact CD1-CG 3.75Å; F825-E881 HydrophobicContact CD2-CG 4.05Å; F825-E881 HydrophobicContact CE1-CB 3.69Å; F825-E881 HydrophobicContact CE1-CG 4.21Å; F825-E881 HydrophobicContact CE2-CG 4.46Å; F825-E881 HydrophobicContact CG-CB 4.07Å; F825-E881 HydrophobicContact CG-CG 3.67Å; F825-E881 HydrophobicContact CZ-CB 4.2Å; F877-E881 PolarHBondContact O-N 2.89Å; S879-E881 VanDerWaalsContact C-N 3.28Å; S879-E881 PolarHBondContact O-N 3.24Å; E881-Y883 VanDerWaalsContact C-N 3.25Å; E881-Y883 PolarHBondContact O-N 2.97Å; E881-C884 WeakPolarHBondContact O-CA 3.23Å; E881-C884 PolarHBondContact O-N 2.94Å
882	A	83.9	Confident	86.1	Confident	7 Å²	7	67.3 Å²	67.3	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-37	177.8	0	0	0	0	0	112.5	Q748 V751 S878 S879 C884	Q748-A882 PolarHBondContact NE2-O 3Å; Q748-A882 PolarHBondContact OE1-O 3.16Å; V751-A882 HydrophobicContact CG2-CB 3.64Å; S878-A882 WeakPolarHBondContact O-CB 3.26Å; S878-A882 PolarHBondContact O-N 3.03Å; S879-A882 PolarHBondContact O-N 2.87Å; A882-C884 VanDerWaalsContact C-N 3.3Å
883	Y	86.6	Confident	85.6	Confident	77 Å²	77	65.1 Å²	65.1	30%	0.302	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7.2	173.3	-66	-70.9	0	0	0	114.1	L747 Q748 V751 S879 E881 H885	L747-Y883 WeakPolarHBondContact CA-OH 3.34Å; L747-Y883 WeakPolarHBondContact CD2-OH 3.33Å; Q748-Y883 HydrophobicContact CG-CE1 4.27Å; Q748-Y883 PolarHBondContact N-OH 3.18Å; V751-Y883 HydrophobicContact CG2-CE2 4.06Å; S879-Y883 WeakPolarHBondContact O-CD2 3.27Å; S879-Y883 PolarHBondContact O-N 2.96Å; S879-Y883 VanDerWaalsContact O-N 3.12Å; E881-Y883 VanDerWaalsContact C-N 3.25Å; E881-Y883 PolarHBondContact O-N 2.97Å; Y883-H885 PolarHBondContact O-N 3.46Å
884	C	84.1	Confident	85	Confident	59 Å²	59	64.3 Å²	64.3	40%	0.399	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	26.3	177.8	-49.1	0	0	0	0	115.1	C2 L880 E881 A882	C2-C884 HydrophobicContact CB-CB 3.55Å; C2-C884 WeakPolarHBondContact CB-SG 3.21Å; C2-C884 WeakPolarHBondContact SG-CB 3.18Å; C2-C884 CovalentContact SG-SG 2.01Å; C2-C884 PolarHBondContact SG-SG 3.1Å; L880-C884 PolarHBondContact O-N 2.76Å; E881-C884 WeakPolarHBondContact O-CA 3.23Å; E881-C884 PolarHBondContact O-N 2.94Å; A882-C884 VanDerWaalsContact C-N 3.3Å
885	H	85.6	Confident	84.4	Confident	146 Å²	146	68.5 Å²	68.5	68%	0.676	34%	0.337	S	S	*	.	S	Bend	trans	-69.9	-28.9	167.9	-68.5	-61.1	0	0	0	111.4	L880 Y883	L880-H885 HydrophobicContact CB-CB 4.32Å; L880-H885 HydrophobicContact CD2-CB 3.93Å; L880-H885 WeakPolarHBondContact O-CB 3.3Å; L880-H885 PolarHBondContact O-N 3.33Å; Y883-H885 PolarHBondContact O-N 3.46Å
886	I	85.7	Confident	83.8	Confident	60 Å²	60	71.6 Å²	71.6	31%	0.308	35%	0.352	S	S	.	.	S	Bend	trans	-114.5	142.3	171	-60.7	173.4	0	0	0	107.7	F877 L880 G888	F877-I886 HydrophobicContact CD1-CD1 3.84Å; F877-I886 HydrophobicContact CE1-CD1 4.35Å; L880-I886 HydrophobicContact CB-CD1 3.8Å; L880-I886 HydrophobicContact CB-CG1 4.09Å; L880-I886 HydrophobicContact CD1-CD1 3.73Å; L880-I886 HydrophobicContact CD1-CG1 4.38Å; L880-I886 HydrophobicContact CG-CD1 4.46Å; L880-I886 PolarHBondContact O-N 3.38Å; I886-G888 PolarHBondContact O-N 3.44Å
887	K	75.5	Confident	83.1	Confident	206 Å²	206	68.2 Å²	68.2	90%	0.896	34%	0.34	S	S	*	.			trans	-75.8	114.5	171.7	-74.5	-174.5	176.6	-178.4	0	109.5
888	G	71.5	Confident	82.4	Confident	33 Å²	33	68.3 Å²	68.3	34%	0.34	34%	0.343	S	S	.	.			trans	-83.8	-156	168	0	0	0	0	0	113	I886	I886-G888 PolarHBondContact O-N 3.44Å
889	F	60.7	Low	81.8	Confident	139 Å²	139	73.8 Å²	73.8	61%	0.61	37%	0.37	S	S	*	.			trans	-78.1	0	-179.8	-72	-81.9	0	0	0	113.4	Y172 A824 F825 T828	Y172-F889 AromaticContact CE2-CE1 3.89Å; Y172-F889 HydrophobicContact CE2-CE1 3.89Å; Y172-F889 HydrophobicContact CE2-CE2 4.03Å; Y172-F889 AromaticContact CE2-CZ 3.56Å; Y172-F889 HydrophobicContact CE2-CZ 3.56Å; Y172-F889 WeakPolarHBondContact OH-CE1 3.44Å; A824-F889 HydrophobicContact CB-CB 4.4Å; A824-F889 HydrophobicContact CB-CD2 3.87Å; A824-F889 HydrophobicContact CB-CE2 4.48Å; A824-F889 HydrophobicContact CB-CG 4.26Å; F825-F889 HydrophobicContact CB-CD2 4.18Å; T828-F889 WeakPolarHBondContact OG1-CE2 3.49Å

Retrieved 889 of 889 residues in 1191.1 ms (Link to these results)

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