A0A5K4F679_SCHMA Loading...

VWFA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F679, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,461 aa.

						>A0A5K4F679_SCHMA|A0A5K4F679
MCSRFSIVIFFGIVLSLFQLDVAGNYNLQNAKLFFKNVFHNTAKKLAFINVYKLELTRHSISLEQFNLSSEVVNYAERIGRIIKAMENSLKTLVSWTEEEVSKYSWNPKLKPDIIKYNDLRELKLGDKRLVDAPGYHFKIMPNKSGVHLPVEVYNGDSTVFHTLRWTDVLDSIFPTEPNLHFTYFASFTGILRVYPAFPWRQQNVDMFDVRRRSWFIQGSSVPKDLFILLDTSGSMTGQSLKLANLSAQKLIEALDVDDYFTVAHFPGAKDHVAPMIVTANNESEPICFNSFVQATRRNKLRLFYDLSTLKARGYSDFPASLKFAYEMFRNLTESARGDRGKELRNKILVLLTDNAFVFDESVLSQLKQQKSNITTFIYSLGEPVGAAYEHKMKACATNDYYQYLPTVGAVSNLMKDFHEKSTQIRFGPNASPLPTEVILHGASDVLHTNQYKGTGLMVSISIPVYNRTEKLQFLGLMGTELPIELMMNGLPQSKLYPTGYAFVVNTNGYLVFHPGLIPEYPWLDDSPYLDFLDVEFNVYGSKTLIRKKLIDNARGSEQIIDFIKVSDNVHTYVKPRLYSFTRLSNTDFGVAFVMPTDQQLFLSIPKSIKSKITTDGSGNYMIDDVLIKNLIKKAKIILPWKALDVYMKINDHVFNLETPNEHMVLHRDEDDQINVKTTLVDEKEEEYEITNRKETVMEDEEEQQQFKASTSLNDEFISMENEFLSSQLNDTFCVNNTNCLIQDSFLRKLIIRSTLSSSKVNDESENTPDIKNFNGSSSIILTDQIKETTRVLQSSESITPPSSPRSETSVGVSDIRIDKNRSSIQTPVENTRPMDKKPITTEVNMSVGFESTTIATTATTATTSATSVLLRSPNDITSQSTLDMTKNEVDVNNDGVGSDRLITEQNNEIRNFLEKIRNINSSQTELLSQILLEIMIAEKDVSESAESIKLNSPIISRTIALNTGLIWTIPINTNEQFYNELKHWPDSPIFQRVYDSFNLIFWVRLRMNEDSTKPIENPVVTEDNSNSLLQSNTKQIIDNDTINITAQTSENQLQITPTTTNSTINSTKEEQNLNQVDGSKNIRNKDEVIDDYKHSHIEIDEYFDESLPTLNDDETVENMESMNETIMNSQDNTALPVTIFTSITITQGPNDYKAGVMGITLEPDYLSEQLNMIPECSVTQSNKLCYLLEDAANIIAVNNKLLYYQIGQFLGYIDPDLMNSLVQNHVYGVLKDYDFEGTCFPREDMLETTSPGIHPIPSILMYTQSLFNVRVWLDRLLTVGSVSVFITRAFIMGMIRIIAVSGDLNDDVDPQNKPYQCIKLIHRYYSLNGELYGTRNPSINVGFNHRIQGFISCPQQRNRDWSVQSIIGTNLLLLITDPIFAECEKKTHINRLRRDPVKDVGTDVCETSRAPRYRRQSQKWTLFPNDDKNPPQCSSTDRLKISLYIVISLNIFSFFLSLYY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	39.2	Very low	241 Å²	241	149.4 Å²	149.4	100%	1.187	76%	0.764	S	S	*	*				0	12.5	0	-101.3	175.5	164.4	0	0	114.1
2	C	31.9	Very low	39	Very low	137 Å²	137	141.2 Å²	141.2	93%	0.926	75%	0.745	S	S	*	*			trans	-108.3	62.7	-171.9	-55.1	0	0	0	0	113.3
3	S	33.5	Very low	39	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	73%	0.729	S	S	*	*	S	Bend	trans	-147.5	13.4	175.4	62.6	0	0	0	0	115.5
4	R	36.6	Very low	39	Very low	222 Å²	222	134.1 Å²	134.1	84%	0.838	71%	0.71	S	S	*	*	S	Bend	trans	-114.2	0.7	178.9	-80.1	-168.2	170.8	-165.5	-3.3	115.9
5	F	40.3	Very low	38.8	Very low	184 Å²	184	132.9 Å²	132.9	81%	0.807	70%	0.704	S	S	*	*	S	Bend	trans	-92.5	-20.9	-178.9	-100.9	-85.3	0	0	0	115.2	I7	F5-I7 PolarHBondContact O-N 3.18Å
6	S	40.1	Very low	38.4	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	69%	0.689	S	S	*	*	H	α-helix	trans	-80	-12.8	-175.2	-46.7	0	0	0	0	115.1
7	I	41.5	Very low	38	Very low	121 Å²	121	129.8 Å²	129.8	62%	0.621	69%	0.693	S	S	*	*	H	α-helix	trans	-84	-29.8	-174.2	-66.9	174.6	0	0	0	112.1	F5	F5-I7 PolarHBondContact O-N 3.18Å
8	V	44.2	Very low	37.6	Very low	112 Å²	112	131.4 Å²	131.4	68%	0.679	69%	0.693	S	S	*	*	H	α-helix	trans	-73.9	-34.7	-176.6	-177.4	0	0	0	0	112.1
9	I	46.1	Very low	37	Very low	118 Å²	118	133.4 Å²	133.4	61%	0.605	70%	0.699	S	S	*	*	H	α-helix	trans	-73.8	-32.5	-176.2	-62.2	177.4	0	0	0	111.8	G12	I9-G12 PolarHBondContact O-N 3.28Å
10	F	40.2	Very low	36.6	Very low	158 Å²	158	133.9 Å²	133.9	69%	0.693	70%	0.701	S	S	*	*	H	α-helix	trans	-70.1	-32.6	179.7	-124.4	-88.8	0	0	0	113	G12	F10-G12 VanDerWaalsContact C-N 3.32Å
11	F	40.1	Very low	36.2	Very low	151 Å²	151	134.2 Å²	134.2	66%	0.662	70%	0.704	S	S	*	*	H	α-helix	trans	-68.8	-29.7	173.3	-106	-88.5	0	0	0	113	I13 L15	F11-I13 VanDerWaalsContact C-N 3.32Å; F11-I13 PolarHBondContact O-N 3.09Å; F11-L15 HydrophobicContact CD1-CD1 4.25Å
12	G	36.2	Very low	35.9	Very low	51 Å²	51	130.2 Å²	130.2	53%	0.526	69%	0.693	S	S	.	*	H	α-helix	trans	-67.2	-28	178	0	0	0	0	0	114.4	I9 F10	I9-G12 PolarHBondContact O-N 3.28Å; F10-G12 VanDerWaalsContact C-N 3.32Å
13	I	40.1	Very low	35.7	Very low	106 Å²	106	128.3 Å²	128.3	54%	0.544	69%	0.686	S	S	.	*	H	α-helix	trans	-92.1	-27.5	-175.5	-62.4	175.3	0	0	0	112.1	F11 S16	F11-I13 VanDerWaalsContact C-N 3.32Å; F11-I13 PolarHBondContact O-N 3.09Å; I13-S16 WeakPolarHBondContact CA-OG 3.45Å; I13-S16 PolarHBondContact O-OG 3.2Å
14	V	38.3	Very low	35.3	Very low	77 Å²	77	125.5 Å²	125.5	47%	0.467	67%	0.673	S	S	.	*	H	α-helix	trans	-72.4	-35.9	175.3	178	0	0	0	0	111.5	S16 L17	V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.15Å; V14-L17 PolarHBondContact O-N 3.37Å
15	L	36.1	Very low	35	Very low	117 Å²	117	121.8 Å²	121.8	61%	0.613	67%	0.67	S	S	*	*	H	α-helix	trans	-70	-27.2	175.1	-91.7	77.6	0	0	0	113.4	F11 L17 F18	F11-L15 HydrophobicContact CD1-CD1 4.25Å; L15-L17 PolarHBondContact O-N 3.13Å; L15-F18 PolarHBondContact O-N 2.77Å
16	S	32.1	Very low	34.9	Very low	67 Å²	67	121.4 Å²	121.4	47%	0.469	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-6.4	174.5	50	0	0	0	0	114.8	I13 V14	I13-S16 WeakPolarHBondContact CA-OG 3.45Å; I13-S16 PolarHBondContact O-OG 3.2Å; V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.15Å
17	L	31.7	Very low	35.2	Very low	145 Å²	145	119.9 Å²	119.9	76%	0.759	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	4.3	171.3	-70.8	172	0	0	0	113.2	V14 L15	V14-L17 PolarHBondContact O-N 3.37Å; L15-L17 PolarHBondContact O-N 3.13Å
18	F	30.8	Very low	35.7	Very low	159 Å²	159	116.3 Å²	116.3	70%	0.697	63%	0.631	S	S	*	*			trans	-121.1	27.3	173.8	-81.8	-79.8	0	0	0	113.1	L15 L20	L15-F18 PolarHBondContact O-N 2.77Å; F18-L20 PolarHBondContact O-N 3.27Å
19	Q	26.6	Very low	35.9	Very low	170 Å²	170	115.3 Å²	115.3	79%	0.794	62%	0.619	S	S	*	*			trans	-73.9	75.5	155.6	-70.8	-167.8	-94.9	0	0	109.8
20	L	29.6	Very low	36.6	Very low	142 Å²	142	114.6 Å²	114.6	74%	0.743	62%	0.616	S	S	*	*			trans	-68.8	134.3	153.4	-96.7	155	0	0	0	107.7	F18 V22	F18-L20 PolarHBondContact O-N 3.27Å; L20-V22 PolarHBondContact O-N 3.5Å
21	D	28.3	Very low	37.8	Very low	142 Å²	142	107.8 Å²	107.8	76%	0.759	59%	0.589	S	S	*	*			trans	-58.7	109.6	-168.2	-77.7	-61.4	0	0	0	113.4	A23 G24	D21-A23 PolarHBondContact O-N 2.92Å; D21-G24 PolarHBondContact O-N 3.41Å; D21-G24 VanDerWaalsContact O-N 3.14Å
22	V	28.5	Very low	39.1	Very low	157 Å²	157	103.5 Å²	103.5	95%	0.952	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	53.2	171.6	-168.5	0	0	0	0	110.1	L20	L20-V22 PolarHBondContact O-N 3.5Å
23	A	27.8	Very low	41	Very low	96 Å²	96	105.9 Å²	105.9	79%	0.793	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.7	9.5	172.2	0	0	0	0	0	111.7	D21	D21-A23 PolarHBondContact O-N 2.92Å
24	G	27.1	Very low	43	Very low	42 Å²	42	105.2 Å²	105.2	43%	0.433	56%	0.563	S	S	.	*			trans	-66.5	132.5	-168.6	0	0	0	0	0	114.7	D21 Y26	D21-G24 PolarHBondContact O-N 3.41Å; D21-G24 VanDerWaalsContact O-N 3.14Å; G24-Y26 PolarHBondContact O-N 3.3Å; G24-Y26 VanDerWaalsContact O-N 3.15Å
25	N	29.5	Very low	45	Very low	145 Å²	145	102.1 Å²	102.1	78%	0.775	54%	0.544	S	S	*	.			trans	-47.1	114.6	171.8	-88	-37.4	0	0	0	112.6	N27	N25-N27 HydrophobicContact CB-CB 4.12Å; N25-N27 PolarHBondContact O-N 2.94Å
26	Y	38.7	Very low	47	Very low	175 Å²	175	100.9 Å²	100.9	69%	0.686	53%	0.533	S	S	*	.			trans	-72.4	62.9	164.4	-75.8	-88.8	0	0	0	110.6	G24	G24-Y26 PolarHBondContact O-N 3.3Å; G24-Y26 VanDerWaalsContact O-N 3.15Å
27	N	46	Very low	49.4	Very low	66 Å²	66	101.3 Å²	101.3	35%	0.353	53%	0.531	S	S	.	.			trans	-97.1	114.9	-174.8	-176.6	-5.2	0	0	0	110.4	N25 Q29 N30	N25-N27 HydrophobicContact CB-CB 4.12Å; N25-N27 PolarHBondContact O-N 2.94Å; N27-Q29 PolarHBondContact ND2-OE1 3.48Å; N27-Q29 PolarHBondContact O-N 2.87Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.37Å; N27-Q29 WeakPolarHBondContact OD1-CG 3.31Å; N27-Q29 PolarHBondContact OD1-N 2.86Å; N27-Q29 VanDerWaalsContact OD1-N 3.15Å; N27-N30 PolarHBondContact O-N 3.49Å
28	L	51	Low	51.9	Low	46 Å²	46	95.3 Å²	95.3	24%	0.241	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-60.1	-15.5	-176.7	-160.6	62.5	0	0	0	113.3	N30 A31 I1174 L1188 I1367 L1374	L28-N30 PolarHBondContact O-N 2.85Å; L28-N30 VanDerWaalsContact O-N 3.11Å; L28-A31 HydrophobicContact CD1-CB 4.31Å; L28-A31 WeakPolarHBondContact O-CB 3.29Å; L28-A31 PolarHBondContact O-N 3.32Å; L28-I1174 HydrophobicContact CB-CD1 4.31Å; L28-I1174 HydrophobicContact CD1-CD1 4.46Å; L28-I1174 HydrophobicContact CD2-CD1 4.04Å; L28-L1188 HydrophobicContact CD2-CD2 4.24Å; L28-I1367 HydrophobicContact CD2-CD1 3.37Å; L28-I1367 HydrophobicContact CD2-CG1 4Å; L28-I1367 HydrophobicContact CG-CD1 3.92Å; L28-I1367 HydrophobicContact CG-CG1 4.36Å; L28-L1374 HydrophobicContact CD2-CB 4.18Å; L28-L1374 HydrophobicContact CD2-CD1 4.41Å; L28-L1374 HydrophobicContact CD2-CD2 3.92Å; L28-L1374 HydrophobicContact CD2-CG 4.4Å
29	Q	50	Low	54.4	Low	91 Å²	91	88 Å²	88	43%	0.425	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-53	-26.4	168.3	-70.3	176.4	-19.2	0	0	113.7	N27 A31	N27-Q29 PolarHBondContact ND2-OE1 3.48Å; N27-Q29 PolarHBondContact O-N 2.87Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.37Å; N27-Q29 WeakPolarHBondContact OD1-CG 3.31Å; N27-Q29 PolarHBondContact OD1-N 2.86Å; N27-Q29 VanDerWaalsContact OD1-N 3.15Å; Q29-A31 VanDerWaalsContact C-N 3.34Å
30	N	60.1	Low	57.1	Low	104 Å²	104	84.5 Å²	84.5	56%	0.556	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-79.4	-8.6	175.7	-81.5	-26.3	0	0	0	114.6	N27 L28 K32 L33 F34	N27-N30 PolarHBondContact O-N 3.49Å; L28-N30 PolarHBondContact O-N 2.85Å; L28-N30 VanDerWaalsContact O-N 3.11Å; N30-K32 VanDerWaalsContact C-N 3.25Å; N30-K32 PolarHBondContact O-N 2.84Å; N30-L33 PolarHBondContact O-N 3.26Å; N30-F34 PolarHBondContact O-N 3.41Å
31	A	64.6	Low	59.6	Low	14 Å²	14	82.2 Å²	82.2	12%	0.116	44%	0.44	C	S	.	.	H	α-helix	trans	-56.3	-38.2	-178.8	0	0	0	0	0	112.7	L28 Q29 L33 F34 F35 I1367	L28-A31 HydrophobicContact CD1-CB 4.31Å; L28-A31 WeakPolarHBondContact O-CB 3.29Å; L28-A31 PolarHBondContact O-N 3.32Å; Q29-A31 VanDerWaalsContact C-N 3.34Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 3.03Å; A31-F34 PolarHBondContact O-N 3.42Å; A31-F35 HydrophobicContact CB-CD2 4.42Å; A31-F35 HydrophobicContact CB-CE2 4.45Å; A31-F35 VanDerWaalsContact O-CD2 3.26Å; A31-F35 WeakPolarHBondContact O-CD2 3.25Å; A31-F35 PolarHBondContact O-N 2.87Å; A31-I1367 HydrophobicContact CB-CG2 4.23Å
32	K	68.5	Low	62	Low	61 Å²	61	77.6 Å²	77.6	27%	0.265	42%	0.417	S	S	.	.	H	α-helix	trans	-55.5	-44.1	174.1	-172.3	-168.6	-163.6	156.8	0	112.5	N30 K36 N999 I1368	N30-K32 VanDerWaalsContact C-N 3.25Å; N30-K32 PolarHBondContact O-N 2.84Å; K32-K36 WeakPolarHBondContact O-CB 3.35Å; K32-K36 VanDerWaalsContact O-CG 3.28Å; K32-K36 WeakPolarHBondContact O-CG 3.3Å; K32-K36 PolarHBondContact O-N 3.48Å; K32-K36 VanDerWaalsContact O-N 3.16Å; K32-N999 VanDerWaalsContact CE-OD1 3.23Å; K32-N999 WeakPolarHBondContact CE-OD1 3.47Å; K32-I1368 WeakPolarHBondContact CB-O 3.46Å; K32-I1368 VanDerWaalsContact CD-O 3.32Å; K32-I1368 WeakPolarHBondContact CD-O 3.48Å
33	L	76.2	Confident	64.5	Low	101 Å²	101	70.1 Å²	70.1	53%	0.529	37%	0.372	S	S	.	.	H	α-helix	trans	-74.8	-41.4	-179.6	-177.1	60.6	0	0	0	110.8	N30 A31 K36 N37	N30-L33 PolarHBondContact O-N 3.26Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 3.03Å; L33-K36 PolarHBondContact O-N 3.06Å; L33-N37 WeakPolarHBondContact O-CB 3.41Å; L33-N37 PolarHBondContact O-N 3.4Å; L33-N37 PolarHBondContact O-ND2 3.48Å
34	F	80.8	Confident	67.3	Low	92 Å²	92	68.8 Å²	68.8	40%	0.404	35%	0.348	S	S	.	.	H	α-helix	trans	-55.1	-57.5	174.1	176.4	-101.8	0	0	0	111.6	N30 A31 K36 N37 V38 Y1166	N30-F34 PolarHBondContact O-N 3.41Å; A31-F34 PolarHBondContact O-N 3.42Å; F34-K36 PolarHBondContact O-N 3.44Å; F34-N37 CarbonylContact O-C 3.35Å; F34-N37 WeakPolarHBondContact O-CA 3.22Å; F34-N37 WeakPolarHBondContact O-CB 3.2Å; F34-N37 PolarHBondContact O-N 2.91Å; F34-V38 HydrophobicContact CD1-CG2 4.27Å; F34-V38 HydrophobicContact CE1-CG2 3.9Å; F34-V38 HydrophobicContact CE2-CG2 4.27Å; F34-V38 HydrophobicContact CZ-CG2 3.9Å; F34-V38 WeakPolarHBondContact O-CG2 3.33Å; F34-V38 PolarHBondContact O-N 3.39Å; F34-Y1166 WeakPolarHBondContact CE1-OH 3.36Å; F34-Y1166 WeakPolarHBondContact CZ-OH 3.06Å
35	F	80.4	Confident	70.2	Confident	12 Å²	12	68.6 Å²	68.6	5%	0.053	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-32.7	-177.6	-71.3	-65.5	0	0	0	113.1	A31 N37 V38 F39 L1000 F1002 I1140 L1162 Y1166 L1167	A31-F35 HydrophobicContact CB-CD2 4.42Å; A31-F35 HydrophobicContact CB-CE2 4.45Å; A31-F35 VanDerWaalsContact O-CD2 3.26Å; A31-F35 WeakPolarHBondContact O-CD2 3.25Å; A31-F35 PolarHBondContact O-N 2.87Å; F35-N37 VanDerWaalsContact C-N 3.32Å; F35-N37 PolarHBondContact O-N 2.9Å; F35-V38 PolarHBondContact O-N 2.9Å; F35-F39 VanDerWaalsContact O-CD2 3.27Å; F35-F39 WeakPolarHBondContact O-CD2 3.44Å; F35-F39 PolarHBondContact O-N 2.88Å; F35-L1000 HydrophobicContact CB-CD1 3.67Å; F35-F1002 HydrophobicContact CD2-CE1 4.37Å; F35-F1002 AromaticContact CD2-CZ 3.66Å; F35-F1002 HydrophobicContact CD2-CZ 3.66Å; F35-F1002 AromaticContact CE2-CE1 3.97Å; F35-F1002 HydrophobicContact CE2-CE1 3.97Å; F35-F1002 AromaticContact CE2-CZ 3.68Å; F35-F1002 HydrophobicContact CE2-CZ 3.68Å; F35-F1002 HydrophobicContact CG-CZ 4.32Å; F35-F1002 HydrophobicContact CZ-CE1 4.26Å; F35-F1002 HydrophobicContact CZ-CZ 4.35Å; F35-I1140 HydrophobicContact CD1-CD1 3.34Å; F35-I1140 HydrophobicContact CD2-CD1 4.22Å; F35-I1140 HydrophobicContact CE1-CD1 3.35Å; F35-I1140 HydrophobicContact CE2-CD1 4.22Å; F35-I1140 HydrophobicContact CG-CD1 3.8Å; F35-I1140 HydrophobicContact CZ-CD1 3.81Å; F35-L1162 HydrophobicContact CE1-CD1 4.07Å; F35-L1162 HydrophobicContact CZ-CD1 4.31Å; F35-Y1166 HydrophobicContact CZ-CE1 4.3Å; F35-L1167 HydrophobicContact CZ-CD2 4.07Å
36	K	79.3	Confident	73	Confident	91 Å²	91	65.4 Å²	65.4	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-38.4	169.7	-76.6	-171.4	-177.3	-160.1	0	112.3	K32 L33 F34 F39 H40 N999	K32-K36 WeakPolarHBondContact O-CB 3.35Å; K32-K36 VanDerWaalsContact O-CG 3.28Å; K32-K36 WeakPolarHBondContact O-CG 3.3Å; K32-K36 PolarHBondContact O-N 3.48Å; K32-K36 VanDerWaalsContact O-N 3.16Å; L33-K36 PolarHBondContact O-N 3.06Å; F34-K36 PolarHBondContact O-N 3.44Å; K36-F39 PolarHBondContact O-N 3.48Å; K36-H40 WeakPolarHBondContact O-CB 3.39Å; K36-H40 PolarHBondContact O-N 3.33Å; K36-N999 WeakPolarHBondContact CE-OD1 3.48Å; K36-N999 PolarHBondContact NZ-OD1 3.18Å
37	N	82.8	Confident	75.3	Confident	77 Å²	77	59.3 Å²	59.3	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-68.1	-36.1	173.4	-68.3	-14.5	0	0	0	112.1	L33 F34 F35 H40 N41	L33-N37 WeakPolarHBondContact O-CB 3.41Å; L33-N37 PolarHBondContact O-N 3.4Å; L33-N37 PolarHBondContact O-ND2 3.48Å; F34-N37 CarbonylContact O-C 3.35Å; F34-N37 WeakPolarHBondContact O-CA 3.22Å; F34-N37 WeakPolarHBondContact O-CB 3.2Å; F34-N37 PolarHBondContact O-N 2.91Å; F35-N37 VanDerWaalsContact C-N 3.32Å; F35-N37 PolarHBondContact O-N 2.9Å; N37-H40 PolarHBondContact O-N 2.83Å; N37-N41 VanDerWaalsContact O-CB 3.28Å; N37-N41 WeakPolarHBondContact O-CB 3.48Å; N37-N41 PolarHBondContact O-N 3.4Å; N37-N41 PolarHBondContact O-ND2 2.79Å
38	V	83.1	Confident	77.5	Confident	19 Å²	19	56.2 Å²	56.2	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-46.3	173.8	173.8	0	0	0	0	111.4	F34 F35 H40 T42 A43 I955 I1160	F34-V38 HydrophobicContact CD1-CG2 4.27Å; F34-V38 HydrophobicContact CE1-CG2 3.9Å; F34-V38 HydrophobicContact CE2-CG2 4.27Å; F34-V38 HydrophobicContact CZ-CG2 3.9Å; F34-V38 WeakPolarHBondContact O-CG2 3.33Å; F34-V38 PolarHBondContact O-N 3.39Å; F35-V38 PolarHBondContact O-N 2.9Å; V38-H40 VanDerWaalsContact C-N 3.31Å; V38-H40 PolarHBondContact O-N 3.43Å; V38-T42 WeakPolarHBondContact O-CA 3.39Å; V38-T42 WeakPolarHBondContact O-CB 3.44Å; V38-T42 PolarHBondContact O-N 3.15Å; V38-A43 PolarHBondContact O-N 3.31Å; V38-A43 VanDerWaalsContact O-N 3.08Å; V38-I955 HydrophobicContact CG1-CD1 3.46Å; V38-I955 VanDerWaalsContact CG1-CD1 3.46Å; V38-I1160 HydrophobicContact CB-CD1 4.49Å; V38-I1160 HydrophobicContact CG1-CD1 3.63Å
39	F	84.4	Confident	79.4	Confident	5 Å²	5	55 Å²	55	2%	0.022	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-39.8	174.3	-85.2	-70.8	0	0	0	112.4	F35 K36 A43 K44 K45 L1000 I1140 T1142 M1158 I1160	F35-F39 VanDerWaalsContact O-CD2 3.27Å; F35-F39 WeakPolarHBondContact O-CD2 3.44Å; F35-F39 PolarHBondContact O-N 2.88Å; K36-F39 PolarHBondContact O-N 3.48Å; F39-A43 HydrophobicContact CD1-CB 4.07Å; F39-A43 CarbonylContact O-C 3.48Å; F39-K44 PolarHBondContact O-N 2.91Å; F39-K45 HydrophobicContact CB-CB 4.44Å; F39-K45 HydrophobicContact CB-CD 4.35Å; F39-K45 VanDerWaalsContact O-CB 3.25Å; F39-K45 WeakPolarHBondContact O-CB 3.31Å; F39-K45 PolarHBondContact O-N 2.97Å; F39-L1000 HydrophobicContact CD2-CD2 3.99Å; F39-L1000 HydrophobicContact CE2-CD2 3.69Å; F39-I1140 HydrophobicContact CE2-CB 4.35Å; F39-I1140 HydrophobicContact CE2-CG2 3.84Å; F39-I1140 HydrophobicContact CZ-CB 4.31Å; F39-I1140 HydrophobicContact CZ-CG2 4.14Å; F39-I1140 WeakPolarHBondContact CZ-O 3.43Å; F39-T1142 HydrophobicContact CD1-CG2 3.67Å; F39-T1142 HydrophobicContact CD2-CG2 4.1Å; F39-T1142 HydrophobicContact CE1-CG2 3.5Å; F39-T1142 HydrophobicContact CE2-CG2 3.96Å; F39-T1142 HydrophobicContact CG-CG2 3.97Å; F39-T1142 HydrophobicContact CZ-CG2 3.65Å; F39-M1158 HydrophobicContact CD1-CG 4.14Å; F39-M1158 HydrophobicContact CD1-SD 4.03Å; F39-M1158 HydrophobicContact CE1-CG 4.03Å; F39-I1160 HydrophobicContact CD1-CG2 4.32Å; F39-I1160 HydrophobicContact CD2-CD1 4.28Å; F39-I1160 HydrophobicContact CE1-CB 4.46Å; F39-I1160 HydrophobicContact CE1-CD1 4.21Å; F39-I1160 HydrophobicContact CE1-CG1 4.01Å; F39-I1160 HydrophobicContact CE1-CG2 3.93Å; F39-I1160 HydrophobicContact CE2-CD1 3.93Å; F39-I1160 HydrophobicContact CE2-CG1 4.18Å; F39-I1160 HydrophobicContact CZ-CD1 3.91Å; F39-I1160 HydrophobicContact CZ-CG1 3.7Å
40	H	83.3	Confident	81.4	Confident	96 Å²	96	54.9 Å²	54.9	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-69.1	-52.3	179.3	-168.5	92.4	0	0	0	112.3	K36 N37 V38 K44	K36-H40 WeakPolarHBondContact O-CB 3.39Å; K36-H40 PolarHBondContact O-N 3.33Å; N37-H40 PolarHBondContact O-N 2.83Å; V38-H40 VanDerWaalsContact C-N 3.31Å; V38-H40 PolarHBondContact O-N 3.43Å; H40-K44 WeakPolarHBondContact O-CA 3.32Å
41	N	80.8	Confident	82.8	Confident	95 Å²	95	50.4 Å²	50.4	51%	0.508	26%	0.259	S	S	.	.	H	α-helix	trans	-84.9	-44.3	-170.1	-67.9	-33.5	0	0	0	113.6	N37 K44	N37-N41 VanDerWaalsContact O-CB 3.28Å; N37-N41 WeakPolarHBondContact O-CB 3.48Å; N37-N41 PolarHBondContact O-N 3.4Å; N37-N41 PolarHBondContact O-ND2 2.79Å; N41-K44 WeakPolarHBondContact O-CD 3.45Å; N41-K44 WeakPolarHBondContact O-CE 3.17Å; N41-K44 PolarHBondContact O-NZ 3.48Å
42	T	78.4	Confident	84.1	Confident	44 Å²	44	49.7 Å²	49.7	27%	0.27	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-49.7	-170.2	-41.6	0	0	0	0	111	V38 K44 I955	V38-T42 WeakPolarHBondContact O-CA 3.39Å; V38-T42 WeakPolarHBondContact O-CB 3.44Å; V38-T42 PolarHBondContact O-N 3.15Å; T42-K44 PolarHBondContact O-N 2.79Å; T42-I955 HydrophobicContact CG2-CD1 3.69Å
43	A	81.2	Confident	85.2	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.008	25%	0.253	C	S	.	.	S	Bend	trans	-78.2	-0.1	174.4	0	0	0	0	0	113.8	V38 F39 K45 R958 M1158 I1160	V38-A43 PolarHBondContact O-N 3.31Å; V38-A43 VanDerWaalsContact O-N 3.08Å; F39-A43 HydrophobicContact CD1-CB 4.07Å; F39-A43 CarbonylContact O-C 3.48Å; A43-K45 PolarHBondContact O-N 3.11Å; A43-K45 VanDerWaalsContact O-N 3.15Å; A43-R958 PolarHBondContact O-NE 2.87Å; A43-R958 PolarHBondContact O-NH2 2.85Å; A43-M1158 HydrophobicContact CB-SD 4.02Å; A43-I1160 HydrophobicContact CB-CG2 3.7Å
44	K	86.6	Confident	85.9	Confident	68 Å²	68	49.7 Å²	49.7	30%	0.296	25%	0.253	S	S	.	.			trans	51.2	36	177	-56.6	-66	-177	-156.1	0	114.2	F39 H40 N41 T42 L46 A47 F48 I949	F39-K44 PolarHBondContact O-N 2.91Å; H40-K44 WeakPolarHBondContact O-CA 3.32Å; N41-K44 WeakPolarHBondContact O-CD 3.45Å; N41-K44 WeakPolarHBondContact O-CE 3.17Å; N41-K44 PolarHBondContact O-NZ 3.48Å; T42-K44 PolarHBondContact O-N 2.79Å; K44-L46 PolarHBondContact O-N 3.2Å; K44-L46 VanDerWaalsContact O-N 3.09Å; K44-A47 HydrophobicContact CB-CB 4.03Å; K44-A47 WeakPolarHBondContact O-CB 3.49Å; K44-A47 PolarHBondContact O-N 2.96Å; K44-F48 PolarHBondContact O-N 2.99Å; K44-F48 VanDerWaalsContact O-N 3.11Å; K44-I949 HydrophobicContact CB-CD1 4.08Å; K44-I949 HydrophobicContact CB-CG1 4.33Å; K44-I949 HydrophobicContact CG-CD1 3.74Å; K44-I949 HydrophobicContact CG-CG1 3.45Å; K44-I949 VanDerWaalsContact CG-CG1 3.45Å
45	K	88.7	Confident	86.2	Confident	38 Å²	38	45.6 Å²	45.6	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-52.5	-38.1	-174.9	-170.5	174.8	-176.9	-175.3	0	113.2	F39 A43 I49 T1142 S1143 M1158	F39-K45 HydrophobicContact CB-CB 4.44Å; F39-K45 HydrophobicContact CB-CD 4.35Å; F39-K45 VanDerWaalsContact O-CB 3.25Å; F39-K45 WeakPolarHBondContact O-CB 3.31Å; F39-K45 PolarHBondContact O-N 2.97Å; A43-K45 PolarHBondContact O-N 3.11Å; A43-K45 VanDerWaalsContact O-N 3.15Å; K45-I49 HydrophobicContact CG-CD1 4.09Å; K45-I49 WeakPolarHBondContact O-CD1 3.24Å; K45-I49 VanDerWaalsContact O-CG1 3.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.39Å; K45-I49 PolarHBondContact O-N 3.02Å; K45-I49 VanDerWaalsContact O-N 3.12Å; K45-T1142 HydrophobicContact CD-CG2 4.06Å; K45-T1142 PolarHBondContact NZ-OG1 3.35Å; K45-S1143 VanDerWaalsContact CE-O 3.28Å; K45-S1143 WeakPolarHBondContact CE-O 3.47Å; K45-S1143 PolarHBondContact NZ-O 3.22Å; K45-M1158 HydrophobicContact CB-CE 4.36Å; K45-M1158 HydrophobicContact CB-SD 3.7Å; K45-M1158 HydrophobicContact CD-SD 4.32Å; K45-M1158 HydrophobicContact CG-CE 4.35Å; K45-M1158 HydrophobicContact CG-SD 3.82Å
46	L	87.9	Confident	86.6	Confident	77 Å²	77	45.2 Å²	45.2	40%	0.403	23%	0.234	S	C	.	.	H	α-helix	trans	-71.7	-34.7	176.8	-177.1	60	0	0	0	113.2	K44 I49 N50	K44-L46 PolarHBondContact O-N 3.2Å; K44-L46 VanDerWaalsContact O-N 3.09Å; L46-I49 PolarHBondContact O-N 2.92Å; L46-N50 PolarHBondContact O-N 3.25Å; L46-N50 PolarHBondContact O-ND2 2.93Å; L46-N50 PolarHBondContact O-OD1 2.96Å
47	A	87.7	Confident	87	Confident	47 Å²	47	45.3 Å²	45.3	39%	0.388	24%	0.242	S	C	.	.	H	α-helix	trans	-65.5	-44.8	176.1	0	0	0	0	0	110.6	K44 I49 N50 V51	K44-A47 HydrophobicContact CB-CB 4.03Å; K44-A47 WeakPolarHBondContact O-CB 3.49Å; K44-A47 PolarHBondContact O-N 2.96Å; A47-I49 VanDerWaalsContact C-N 3.35Å; A47-I49 PolarHBondContact O-N 3.07Å; A47-N50 WeakPolarHBondContact O-CB 3.22Å; A47-N50 PolarHBondContact O-N 3.45Å; A47-V51 PolarHBondContact O-N 2.85Å
48	F	91.6	Very high	87.2	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-46.2	173.9	-178.4	-102.9	0	0	0	112.3	K44 N50 V51 Y52 I937 D941 I960 L962 W968 I1144 M1158	K44-F48 PolarHBondContact O-N 2.99Å; K44-F48 VanDerWaalsContact O-N 3.11Å; F48-N50 PolarHBondContact O-N 3.33Å; F48-V51 PolarHBondContact O-N 2.75Å; F48-Y52 AromaticContact CE1-CD2 3.99Å; F48-Y52 HydrophobicContact CE1-CD2 3.99Å; F48-Y52 AromaticContact CZ-CD2 3.88Å; F48-Y52 HydrophobicContact CZ-CD2 3.88Å; F48-Y52 WeakPolarHBondContact O-CB 3.45Å; F48-Y52 PolarHBondContact O-N 2.86Å; F48-I937 HydrophobicContact CE2-CG2 3.6Å; F48-I937 HydrophobicContact CZ-CG2 3.78Å; F48-D941 HydrophobicContact CD2-CB 3.81Å; F48-D941 WeakPolarHBondContact CD2-OD1 3.33Å; F48-D941 HydrophobicContact CE2-CB 4.02Å; F48-I960 HydrophobicContact CD1-CD1 4.38Å; F48-I960 HydrophobicContact CD2-CD1 3.76Å; F48-I960 HydrophobicContact CE1-CG2 4.44Å; F48-I960 HydrophobicContact CE2-CD1 3.96Å; F48-I960 HydrophobicContact CG-CD1 3.99Å; F48-I960 HydrophobicContact CZ-CD1 4.36Å; F48-I960 HydrophobicContact CZ-CG2 4.22Å; F48-L962 HydrophobicContact CE1-CD2 4.15Å; F48-L962 HydrophobicContact CZ-CD1 4.38Å; F48-L962 HydrophobicContact CZ-CD2 3.96Å; F48-W968 HydrophobicContact CD2-CZ2 4.34Å; F48-W968 AromaticContact CE2-CH2 3.7Å; F48-W968 HydrophobicContact CE2-CH2 3.7Å; F48-W968 AromaticContact CE2-CZ2 3.6Å; F48-W968 HydrophobicContact CE2-CZ2 3.6Å; F48-W968 AromaticContact CZ-CH2 3.85Å; F48-W968 HydrophobicContact CZ-CH2 3.85Å; F48-W968 HydrophobicContact CZ-CZ2 4.18Å; F48-I1144 HydrophobicContact CD1-CD1 4.01Å; F48-I1144 HydrophobicContact CD1-CG2 4Å; F48-I1144 HydrophobicContact CE1-CD1 3.77Å; F48-I1144 HydrophobicContact CE1-CG2 4.03Å; F48-M1158 HydrophobicContact CB-CE 4.12Å; F48-M1158 HydrophobicContact CD1-CE 4.43Å; F48-M1158 HydrophobicContact CG-CE 4.34Å
49	I	91.8	Very high	87.3	Confident	22 Å²	22	47.8 Å²	47.8	11%	0.113	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-36.2	176.1	-71.7	167.4	0	0	0	111.3	K45 L46 A47 K53 I1144 I1146	K45-I49 HydrophobicContact CG-CD1 4.09Å; K45-I49 WeakPolarHBondContact O-CD1 3.24Å; K45-I49 VanDerWaalsContact O-CG1 3.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.39Å; K45-I49 PolarHBondContact O-N 3.02Å; K45-I49 VanDerWaalsContact O-N 3.12Å; L46-I49 PolarHBondContact O-N 2.92Å; A47-I49 VanDerWaalsContact C-N 3.35Å; A47-I49 PolarHBondContact O-N 3.07Å; I49-K53 HydrophobicContact CG2-CD 4.24Å; I49-K53 WeakPolarHBondContact O-CB 3.48Å; I49-K53 VanDerWaalsContact O-CG 3.27Å; I49-K53 WeakPolarHBondContact O-CG 3.44Å; I49-K53 PolarHBondContact O-N 3.16Å; I49-I1144 HydrophobicContact CD1-CG2 4.46Å; I49-I1144 HydrophobicContact CG1-CG2 3.91Å; I49-I1146 HydrophobicContact CB-CD1 4.24Å; I49-I1146 HydrophobicContact CG1-CD1 4.03Å; I49-I1146 HydrophobicContact CG2-CD1 3.99Å
50	N	90.8	Very high	87.4	Confident	87 Å²	87	52.2 Å²	52.2	47%	0.465	28%	0.276	S	S	.	.	H	α-helix	trans	-70.7	-41.6	176.8	-68	-14	0	0	0	112.3	L46 A47 F48 K53 L54	L46-N50 PolarHBondContact O-N 3.25Å; L46-N50 PolarHBondContact O-ND2 2.93Å; L46-N50 PolarHBondContact O-OD1 2.96Å; A47-N50 WeakPolarHBondContact O-CB 3.22Å; A47-N50 PolarHBondContact O-N 3.45Å; F48-N50 PolarHBondContact O-N 3.33Å; N50-K53 PolarHBondContact O-N 3.42Å; N50-L54 WeakPolarHBondContact O-CB 3.35Å; N50-L54 PolarHBondContact O-N 3.48Å
51	V	90.3	Very high	87.6	Confident	10 Å²	10	47.9 Å²	47.9	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-49.1	172.8	172.8	0	0	0	0	110.2	A47 F48 K53 L54 E55 K940	A47-V51 PolarHBondContact O-N 2.85Å; F48-V51 PolarHBondContact O-N 2.75Å; V51-K53 PolarHBondContact O-N 3.25Å; V51-L54 PolarHBondContact O-N 3.27Å; V51-E55 WeakPolarHBondContact O-CG 3.47Å; V51-E55 PolarHBondContact O-N 3.31Å; V51-K940 HydrophobicContact CG1-CB 3.74Å
52	Y	92.2	Very high	87.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-47.6	177.7	-157.5	-69.6	0	0	0	111.3	F48 L54 E55 L56 I937 L962 I1146 A1155	F48-Y52 AromaticContact CE1-CD2 3.99Å; F48-Y52 HydrophobicContact CE1-CD2 3.99Å; F48-Y52 AromaticContact CZ-CD2 3.88Å; F48-Y52 HydrophobicContact CZ-CD2 3.88Å; F48-Y52 WeakPolarHBondContact O-CB 3.45Å; F48-Y52 PolarHBondContact O-N 2.86Å; Y52-L54 PolarHBondContact O-N 2.99Å; Y52-E55 PolarHBondContact O-N 2.82Å; Y52-L56 HydrophobicContact CD1-CD1 3.84Å; Y52-L56 HydrophobicContact CD1-CD2 4.5Å; Y52-L56 HydrophobicContact CD1-CG 3.98Å; Y52-L56 HydrophobicContact CE1-CD1 3.93Å; Y52-L56 HydrophobicContact CE1-CD2 4.08Å; Y52-L56 HydrophobicContact CE1-CG 4.05Å; Y52-L56 WeakPolarHBondContact O-CG 3.4Å; Y52-L56 PolarHBondContact O-N 3.1Å; Y52-L56 VanDerWaalsContact O-N 3.07Å; Y52-I937 HydrophobicContact CD1-CD1 4.39Å; Y52-I937 HydrophobicContact CD2-CD1 3.83Å; Y52-I937 HydrophobicContact CD2-CG2 3.92Å; Y52-I937 HydrophobicContact CE1-CD1 4.5Å; Y52-I937 HydrophobicContact CE2-CD1 3.94Å; Y52-I937 HydrophobicContact CG-CD1 4.05Å; Y52-L962 HydrophobicContact CE2-CD1 4.16Å; Y52-L962 HydrophobicContact CE2-CD2 4.21Å; Y52-I1146 HydrophobicContact CD1-CD1 3.99Å; Y52-I1146 HydrophobicContact CD1-CG1 3.86Å; Y52-I1146 HydrophobicContact CE1-CG1 4.23Å; Y52-I1146 HydrophobicContact CG-CD1 3.94Å; Y52-I1146 HydrophobicContact CG-CG1 4.25Å; Y52-A1155 HydrophobicContact CE1-CB 4.1Å; Y52-A1155 HydrophobicContact CE2-CB 3.92Å
53	K	91.5	Very high	88.4	Confident	61 Å²	61	44 Å²	44	27%	0.265	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-37.7	176.8	-75.4	-177.5	-175.2	-158.9	0	113.2	I49 N50 V51 L56 T57 I1146 T1147	I49-K53 HydrophobicContact CG2-CD 4.24Å; I49-K53 WeakPolarHBondContact O-CB 3.48Å; I49-K53 VanDerWaalsContact O-CG 3.27Å; I49-K53 WeakPolarHBondContact O-CG 3.44Å; I49-K53 PolarHBondContact O-N 3.16Å; N50-K53 PolarHBondContact O-N 3.42Å; V51-K53 PolarHBondContact O-N 3.25Å; K53-L56 PolarHBondContact O-N 3.24Å; K53-T57 PolarHBondContact O-N 3.44Å; K53-T57 VanDerWaalsContact O-N 3.11Å; K53-T57 PolarHBondContact O-OG1 3.3Å; K53-I1146 HydrophobicContact CG-CG2 3.8Å; K53-T1147 WeakPolarHBondContact CE-O 3.2Å; K53-T1147 PolarHBondContact NZ-O 3.13Å; K53-T1147 PolarHBondContact NZ-OG1 3.37Å
54	L	90.1	Very high	88.7	Confident	101 Å²	101	48 Å²	48	53%	0.529	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-42.3	177.4	179.9	62.8	0	0	0	111.3	N50 V51 Y52 T57 R58	N50-L54 WeakPolarHBondContact O-CB 3.35Å; N50-L54 PolarHBondContact O-N 3.48Å; V51-L54 PolarHBondContact O-N 3.27Å; Y52-L54 PolarHBondContact O-N 2.99Å; L54-T57 PolarHBondContact O-N 3.24Å; L54-T57 PolarHBondContact O-OG1 3.36Å; L54-R58 VanDerWaalsContact O-CB 3.29Å; L54-R58 WeakPolarHBondContact O-CB 3.45Å; L54-R58 PolarHBondContact O-N 2.98Å
55	E	87.8	Confident	88.8	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.028	27%	0.274	C	S	.	.	H	α-helix	trans	-71.6	-32.2	178.9	-63.4	-57.3	122.4	0	0	112.6	V51 Y52 H59 L933 I937 K940	V51-E55 WeakPolarHBondContact O-CG 3.47Å; V51-E55 PolarHBondContact O-N 3.31Å; Y52-E55 PolarHBondContact O-N 2.82Å; E55-H59 PolarHBondContact O-N 2.88Å; E55-H59 PolarHBondContact O-ND1 3.42Å; E55-H59 IonicContact OE2-CE1 3.29Å; E55-H59 PolarHBondContact OE2-CE1 2.82Å; E55-L933 HydrophobicContact CB-CD1 4.13Å; E55-I937 HydrophobicContact CB-CD1 4.06Å; E55-I937 HydrophobicContact CB-CG1 3.82Å; E55-I937 HydrophobicContact CG-CG1 3.82Å; E55-K940 HydrophobicContact CG-CD 4.13Å; E55-K940 IonicContact OE1-NZ 2.78Å; E55-K940 PolarHBondContact OE1-NZ 3.24Å; E55-K940 IonicContact OE2-NZ 3.1Å; E55-K940 PolarHBondContact OE2-NZ 3.4Å
56	L	88.7	Confident	88.7	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-46.9	169	-67.1	177.6	0	0	0	111.6	Y52 K53 H59 S60 I61 L603 L933 I1146	Y52-L56 HydrophobicContact CD1-CD1 3.84Å; Y52-L56 HydrophobicContact CD1-CD2 4.5Å; Y52-L56 HydrophobicContact CD1-CG 3.98Å; Y52-L56 HydrophobicContact CE1-CD1 3.93Å; Y52-L56 HydrophobicContact CE1-CD2 4.08Å; Y52-L56 HydrophobicContact CE1-CG 4.05Å; Y52-L56 WeakPolarHBondContact O-CG 3.4Å; Y52-L56 PolarHBondContact O-N 3.1Å; Y52-L56 VanDerWaalsContact O-N 3.07Å; K53-L56 PolarHBondContact O-N 3.24Å; L56-H59 PolarHBondContact O-N 2.85Å; L56-S60 PolarHBondContact O-N 3Å; L56-S60 VanDerWaalsContact O-N 3.16Å; L56-I61 HydrophobicContact CB-CB 4.44Å; L56-I61 HydrophobicContact CD2-CB 3.82Å; L56-I61 HydrophobicContact CD2-CD1 4.21Å; L56-I61 HydrophobicContact CD2-CG2 3.59Å; L56-I61 PolarHBondContact O-N 3.23Å; L56-L603 HydrophobicContact CD1-CD2 4.4Å; L56-L603 HydrophobicContact CD2-CD2 3.64Å; L56-L933 HydrophobicContact CD2-CD2 4.39Å; L56-I1146 HydrophobicContact CD1-CG2 4.03Å
57	T	88.2	Confident	88.8	Confident	93 Å²	93	51 Å²	51	57%	0.571	27%	0.272	S	S	*	.	H	α-helix	trans	-71.7	-34.1	179.9	57.2	0	0	0	0	112.9	K53 L54 H59 S60	K53-T57 PolarHBondContact O-N 3.44Å; K53-T57 VanDerWaalsContact O-N 3.11Å; K53-T57 PolarHBondContact O-OG1 3.3Å; L54-T57 PolarHBondContact O-N 3.24Å; L54-T57 PolarHBondContact O-OG1 3.36Å; T57-H59 VanDerWaalsContact C-N 3.27Å; T57-H59 PolarHBondContact O-N 2.83Å; T57-S60 PolarHBondContact O-N 3.02Å
58	R	86.5	Confident	88.9	Confident	121 Å²	121	48.9 Å²	48.9	46%	0.457	25%	0.254	S	S	.	.	H	α-helix	trans	-59.2	-36.1	174.8	175.4	177.4	161.6	129.3	5.1	112.5	L54 D625	L54-R58 VanDerWaalsContact O-CB 3.29Å; L54-R58 WeakPolarHBondContact O-CB 3.45Å; L54-R58 PolarHBondContact O-N 2.98Å; R58-D625 IonicContact CZ-OD2 3.39Å; R58-D625 IonicContact NH1-OD2 3.8Å; R58-D625 IonicContact NH2-OD2 3.81Å; R58-D625 PolarHBondContact NH2-OD2 3.47Å
59	H	84.1	Confident	89	Confident	28 Å²	28	50.5 Å²	50.5	13%	0.13	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	11.9	-177.1	-55.1	100	0	0	0	113.5	E55 L56 T57 I61 I609	E55-H59 PolarHBondContact O-N 2.88Å; E55-H59 PolarHBondContact O-ND1 3.42Å; E55-H59 IonicContact OE2-CE1 3.29Å; E55-H59 PolarHBondContact OE2-CE1 2.82Å; L56-H59 PolarHBondContact O-N 2.85Å; T57-H59 VanDerWaalsContact C-N 3.27Å; T57-H59 PolarHBondContact O-N 2.83Å; H59-I61 VanDerWaalsContact C-N 3.29Å; H59-I61 HydrophobicContact CB-CD1 3.98Å; H59-I61 HydrophobicContact CB-CG1 4.06Å; H59-I61 PolarHBondContact O-N 2.69Å; H59-I609 HydrophobicContact CB-CD1 3.77Å; H59-I609 HydrophobicContact CB-CG1 4.34Å
60	S	86.5	Confident	89	Confident	97 Å²	97	52.1 Å²	52.1	68%	0.678	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	35.8	-180	-57.5	0	0	0	0	114.7	L56 T57	L56-S60 PolarHBondContact O-N 3Å; L56-S60 VanDerWaalsContact O-N 3.16Å; T57-S60 PolarHBondContact O-N 3.02Å
61	I	87.4	Confident	89	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.267	C	S	.	.			trans	-85.3	133.4	-179.8	-59.9	172.3	0	0	0	110	L56 H59 L603 S604 I605 I609 L933	L56-I61 HydrophobicContact CB-CB 4.44Å; L56-I61 HydrophobicContact CD2-CB 3.82Å; L56-I61 HydrophobicContact CD2-CD1 4.21Å; L56-I61 HydrophobicContact CD2-CG2 3.59Å; L56-I61 PolarHBondContact O-N 3.23Å; H59-I61 VanDerWaalsContact C-N 3.29Å; H59-I61 HydrophobicContact CB-CD1 3.98Å; H59-I61 HydrophobicContact CB-CG1 4.06Å; H59-I61 PolarHBondContact O-N 2.69Å; I61-L603 HydrophobicContact CG2-CB 4.31Å; I61-L603 HydrophobicContact CG2-CD2 3.99Å; I61-S604 WeakPolarHBondContact CG2-O 3.39Å; I61-I605 HydrophobicContact CD1-CG1 4.43Å; I61-I605 HydrophobicContact CG2-CG1 4.22Å; I61-I609 HydrophobicContact CD1-CD1 3.88Å; I61-I609 HydrophobicContact CG1-CD1 3.87Å; I61-L933 HydrophobicContact CD1-CD1 4.3Å; I61-L933 HydrophobicContact CD1-CD2 3.43Å; I61-L933 VanDerWaalsContact CD1-CD2 3.43Å; I61-L933 HydrophobicContact CD1-CG 4.48Å
62	S	87.7	Confident	89.2	Confident	46 Å²	46	49.8 Å²	49.8	32%	0.322	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	157.3	179.6	49.2	0	0	0	0	112.2	S604	S62-S604 PolarHBondContact N-O 2.78Å; S62-S604 PolarHBondContact O-N 2.87Å
63	L	88.6	Confident	89.4	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.063	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.8	163.5	-69	177	0	0	0	110.5	F602 L603 Q1148 N1151 Y1153	L63-F602 WeakPolarHBondContact CA-O 3.37Å; L63-L603 HydrophobicContact CD2-CD2 3.83Å; L63-Q1148 HydrophobicContact CD1-CB 3.93Å; L63-Q1148 VanDerWaalsContact N-OE1 3.09Å; L63-N1151 HydrophobicContact CB-CB 4.43Å; L63-N1151 HydrophobicContact CD1-CB 4.18Å; L63-Y1153 HydrophobicContact CD1-CG 4.48Å; L63-Y1153 HydrophobicContact CD2-CD1 3.81Å; L63-Y1153 HydrophobicContact CD2-CD2 4.12Å; L63-Y1153 HydrophobicContact CD2-CE1 4.48Å; L63-Y1153 HydrophobicContact CD2-CG 3.59Å
64	E	88.4	Confident	89.5	Confident	86 Å²	86	51.6 Å²	51.6	40%	0.402	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	153.3	176.8	-80.1	177.8	-150.8	0	0	112	L601 F602 S604	E64-L601 VanDerWaalsContact O-CA 3.32Å; E64-L601 WeakPolarHBondContact O-CA 3.46Å; E64-F602 HydrophobicContact CB-CD1 4.23Å; E64-F602 HydrophobicContact CB-CE1 3.55Å; E64-F602 HydrophobicContact CB-CE2 4.4Å; E64-F602 HydrophobicContact CB-CZ 3.64Å; E64-F602 PolarHBondContact N-O 3.33Å; E64-F602 WeakPolarHBondContact O-CD1 3.21Å; E64-F602 PolarHBondContact O-N 2.87Å; E64-F602 WeakPolarHBondContact OE2-CZ 3.12Å; E64-S604 WeakPolarHBondContact OE1-CB 3.48Å; E64-S604 PolarHBondContact OE1-OG 2.88Å
65	Q	87.2	Confident	89.6	Confident	144 Å²	144	47.1 Å²	47.1	67%	0.673	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	126.3	179.7	-171.8	176.3	4.3	0	0	111.3	N67 Q600	Q65-N67 PolarHBondContact O-N 3.35Å; Q65-Q600 CarbonylContact C-O 3.47Å; Q65-Q600 WeakPolarHBondContact CA-O 3.33Å
66	F	86.9	Confident	89.9	Confident	10 Å²	10	46.9 Å²	46.9	4%	0.044	25%	0.253	C	S	.	.			trans	-83.1	104.3	177.6	-170.7	-112.6	0	0	0	111.2	L68 E71 P492 K495 L496 M595 Q600 F602	F66-L68 HydrophobicContact CD1-CD1 4.19Å; F66-L68 HydrophobicContact CE1-CD1 3.67Å; F66-L68 PolarHBondContact O-N 3.08Å; F66-L68 VanDerWaalsContact O-N 3.08Å; F66-E71 HydrophobicContact CE2-CB 4.26Å; F66-E71 HydrophobicContact CE2-CG 3.92Å; F66-E71 HydrophobicContact CZ-CB 4.07Å; F66-E71 HydrophobicContact CZ-CG 3.79Å; F66-P492 HydrophobicContact CE2-CG 4.41Å; F66-P492 HydrophobicContact CZ-CG 4.08Å; F66-K495 HydrophobicContact CD2-CB 3.63Å; F66-K495 HydrophobicContact CE2-CB 3.42Å; F66-K495 VanDerWaalsContact CE2-CB 3.42Å; F66-K495 HydrophobicContact CE2-CD 4.37Å; F66-K495 HydrophobicContact CE2-CG 4.47Å; F66-K495 HydrophobicContact CZ-CB 4.17Å; F66-L496 HydrophobicContact CE1-CD2 4.05Å; F66-L496 HydrophobicContact CE1-CG 4.44Å; F66-L496 HydrophobicContact CZ-CD2 4.33Å; F66-L496 HydrophobicContact CZ-CG 4.31Å; F66-M595 HydrophobicContact CD1-CE 3.56Å; F66-M595 HydrophobicContact CD1-SD 4.1Å; F66-M595 HydrophobicContact CE1-CE 4.23Å; F66-M595 HydrophobicContact CG-CE 4.45Å; F66-Q600 PolarHBondContact N-O 3.04Å; F66-F602 HydrophobicContact CB-CD1 3.99Å; F66-F602 HydrophobicContact CD2-CD1 4.25Å
67	N	90.3	Very high	90.1	Very high	90 Å²	90	51.8 Å²	51.8	48%	0.481	28%	0.276	S	S	.	.			trans	-80.6	88.5	174.8	-175.5	-1.1	0	0	0	111.4	Q65 S69 S70 E71	Q65-N67 PolarHBondContact O-N 3.35Å; N67-S69 PolarHBondContact O-N 2.78Å; N67-S69 WeakPolarHBondContact OD1-CB 3.22Å; N67-S69 PolarHBondContact OD1-N 3.17Å; N67-S69 VanDerWaalsContact OD1-N 3.07Å; N67-S70 WeakPolarHBondContact CB-OG 3.33Å; N67-S70 VanDerWaalsContact CG-OG 3.26Å; N67-S70 PolarHBondContact ND2-OG 2.95Å; N67-S70 PolarHBondContact O-N 2.98Å; N67-S70 PolarHBondContact O-OG 3.11Å; N67-S70 PolarHBondContact OD1-N 3.46Å; N67-E71 PolarHBondContact O-N 2.98Å; N67-E71 VanDerWaalsContact O-N 3.09Å
68	L	90.6	Very high	90.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-49.3	-32.2	175.8	-161	70.6	0	0	0	113.4	F66 V72 L496 L578 F593 M595	F66-L68 HydrophobicContact CD1-CD1 4.19Å; F66-L68 HydrophobicContact CE1-CD1 3.67Å; F66-L68 PolarHBondContact O-N 3.08Å; F66-L68 VanDerWaalsContact O-N 3.08Å; L68-V72 WeakPolarHBondContact O-CG1 3.34Å; L68-V72 PolarHBondContact O-N 3.45Å; L68-V72 VanDerWaalsContact O-N 3.16Å; L68-L496 HydrophobicContact CD1-CD2 4.27Å; L68-L578 HydrophobicContact CD2-CB 4.42Å; L68-L578 HydrophobicContact CD2-CD2 3.9Å; L68-L578 HydrophobicContact CD2-CG 3.9Å; L68-F593 HydrophobicContact CD1-CB 3.61Å; L68-F593 HydrophobicContact CD1-CD2 4.14Å; L68-F593 HydrophobicContact CD1-CG 4.43Å; L68-F593 HydrophobicContact CG-CB 4.1Å; L68-M595 HydrophobicContact CB-SD 4.15Å; L68-M595 HydrophobicContact CD1-CG 4.45Å; L68-M595 HydrophobicContact CD1-SD 3.84Å; L68-M595 HydrophobicContact CD2-CG 4.07Å; L68-M595 HydrophobicContact CD2-SD 4.02Å; L68-M595 HydrophobicContact CG-SD 4.23Å
69	S	92.5	Very high	90.4	Very high	36 Å²	36	44.3 Å²	44.3	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-85.9	-13.8	-171.9	-46.4	0	0	0	0	114.7	N67 R555 S557 S580	N67-S69 PolarHBondContact O-N 2.78Å; N67-S69 WeakPolarHBondContact OD1-CB 3.22Å; N67-S69 PolarHBondContact OD1-N 3.17Å; N67-S69 VanDerWaalsContact OD1-N 3.07Å; S69-R555 PolarHBondContact O-NH2 2.96Å; S69-R555 VanDerWaalsContact O-NH2 3.08Å; S69-S557 PolarHBondContact OG-OG 3.06Å; S69-S580 WeakPolarHBondContact CA-OG 3.16Å
70	S	92.5	Very high	90.7	Very high	55 Å²	55	43 Å²	43	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-94.5	-39.1	164.5	51.7	0	0	0	0	110.9	N67 V73 N74	N67-S70 WeakPolarHBondContact CB-OG 3.33Å; N67-S70 VanDerWaalsContact CG-OG 3.26Å; N67-S70 PolarHBondContact ND2-OG 2.95Å; N67-S70 PolarHBondContact O-N 2.98Å; N67-S70 PolarHBondContact O-OG 3.11Å; N67-S70 PolarHBondContact OD1-N 3.46Å; S70-V73 WeakPolarHBondContact O-CB 3.49Å; S70-V73 PolarHBondContact O-N 3.12Å; S70-V73 VanDerWaalsContact O-N 3.09Å; S70-N74 PolarHBondContact O-N 3.37Å
71	E	91.9	Very high	90.9	Very high	47 Å²	47	43.8 Å²	43.8	22%	0.22	22%	0.22	C	C	.	.	H	α-helix	trans	-71.4	-35.9	-172.2	-168	66	171.9	0	0	113.3	F66 N67 V73 N74 Y75 P492 F593	F66-E71 HydrophobicContact CE2-CB 4.26Å; F66-E71 HydrophobicContact CE2-CG 3.92Å; F66-E71 HydrophobicContact CZ-CB 4.07Å; F66-E71 HydrophobicContact CZ-CG 3.79Å; N67-E71 PolarHBondContact O-N 2.98Å; N67-E71 VanDerWaalsContact O-N 3.09Å; E71-V73 PolarHBondContact O-N 3.24Å; E71-N74 PolarHBondContact O-N 2.96Å; E71-N74 PolarHBondContact OE2-ND2 3.43Å; E71-Y75 WeakPolarHBondContact O-CB 3.33Å; E71-Y75 PolarHBondContact O-N 3.48Å; E71-P492 HydrophobicContact CG-CG 3.78Å; E71-F593 HydrophobicContact CG-CE2 4.23Å
72	V	94.3	Very high	91	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-26.3	171.9	74.5	0	0	0	0	112.4	L68 A76 T582 V591 F593	L68-V72 WeakPolarHBondContact O-CG1 3.34Å; L68-V72 PolarHBondContact O-N 3.45Å; L68-V72 VanDerWaalsContact O-N 3.16Å; V72-A76 VanDerWaalsContact O-CB 3.28Å; V72-A76 WeakPolarHBondContact O-CB 3.35Å; V72-A76 PolarHBondContact O-N 3.06Å; V72-A76 VanDerWaalsContact O-N 3.1Å; V72-T582 HydrophobicContact CG1-CG2 4.14Å; V72-T582 HydrophobicContact CG2-CG2 4.16Å; V72-V591 HydrophobicContact CG2-CG1 4.18Å; V72-V591 HydrophobicContact CG2-CG2 4.22Å; V72-F593 HydrophobicContact CB-CB 4.4Å; V72-F593 HydrophobicContact CB-CD1 4.3Å; V72-F593 HydrophobicContact CB-CD2 3.96Å; V72-F593 HydrophobicContact CB-CE2 4.34Å; V72-F593 HydrophobicContact CB-CG 3.96Å; V72-F593 HydrophobicContact CG2-CB 4.26Å; V72-F593 HydrophobicContact CG2-CD1 3.71Å; V72-F593 HydrophobicContact CG2-CD2 4.27Å; V72-F593 HydrophobicContact CG2-CE1 4.11Å; V72-F593 HydrophobicContact CG2-CG 3.8Å
73	V	95.4	Very high	91	Very high	18 Å²	18	42.6 Å²	42.6	11%	0.109	21%	0.209	C	C	.	.	H	α-helix	trans	-83.7	-43.6	177.4	179	0	0	0	0	111.6	S70 E71 Y75 A76 E77 T582	S70-V73 WeakPolarHBondContact O-CB 3.49Å; S70-V73 PolarHBondContact O-N 3.12Å; S70-V73 VanDerWaalsContact O-N 3.09Å; E71-V73 PolarHBondContact O-N 3.24Å; V73-Y75 VanDerWaalsContact C-N 3.29Å; V73-Y75 PolarHBondContact O-N 3.17Å; V73-A76 WeakPolarHBondContact O-CB 3.42Å; V73-A76 PolarHBondContact O-N 3.01Å; V73-A76 VanDerWaalsContact O-N 3.1Å; V73-E77 WeakPolarHBondContact O-CG 3.15Å; V73-E77 PolarHBondContact O-N 3.42Å; V73-T582 HydrophobicContact CG2-CG2 4.04Å
74	N	92.8	Very high	91	Very high	82 Å²	82	45.3 Å²	45.3	44%	0.439	22%	0.221	S	C	.	.	H	α-helix	trans	-55	-46.6	171.9	-177.4	18.5	0	0	0	111	S70 E71 E77 R78	S70-N74 PolarHBondContact O-N 3.37Å; E71-N74 PolarHBondContact O-N 2.96Å; E71-N74 PolarHBondContact OE2-ND2 3.43Å; N74-E77 PolarHBondContact O-N 2.85Å; N74-R78 WeakPolarHBondContact O-CB 3.19Å; N74-R78 PolarHBondContact O-N 3.15Å
75	Y	93.2	Very high	91.1	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.027	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-49.2	171.6	176.2	-97.1	0	0	0	112.6	E71 V73 E77 R78 I79 M487 G490 L491 V591 F593	E71-Y75 WeakPolarHBondContact O-CB 3.33Å; E71-Y75 PolarHBondContact O-N 3.48Å; V73-Y75 VanDerWaalsContact C-N 3.29Å; V73-Y75 PolarHBondContact O-N 3.17Å; Y75-E77 VanDerWaalsContact C-N 3.29Å; Y75-E77 PolarHBondContact O-N 3.43Å; Y75-R78 PolarHBondContact O-N 2.69Å; Y75-I79 HydrophobicContact CD1-CG1 4.45Å; Y75-I79 HydrophobicContact CD2-CG1 4.08Å; Y75-I79 HydrophobicContact CE1-CG1 4.05Å; Y75-I79 HydrophobicContact CE2-CD1 4.1Å; Y75-I79 HydrophobicContact CE2-CG1 3.65Å; Y75-I79 HydrophobicContact CG-CG1 4.46Å; Y75-I79 WeakPolarHBondContact O-CG1 3.44Å; Y75-I79 PolarHBondContact O-N 3.49Å; Y75-M487 WeakPolarHBondContact CE2-O 3.34Å; Y75-M487 PolarHBondContact OH-O 3.06Å; Y75-G490 WeakPolarHBondContact CD2-O 3.22Å; Y75-L491 HydrophobicContact CD2-CD2 3.87Å; Y75-L491 HydrophobicContact CE1-CD2 4.24Å; Y75-L491 HydrophobicContact CE2-CD2 3.45Å; Y75-L491 VanDerWaalsContact CE2-CD2 3.45Å; Y75-L491 HydrophobicContact CE2-CG 3.97Å; Y75-L491 HydrophobicContact CG-CD2 4.41Å; Y75-V591 HydrophobicContact CD1-CG2 4.08Å; Y75-V591 HydrophobicContact CE1-CG2 3.96Å; Y75-F593 AromaticContact CD1-CE1 3.8Å; Y75-F593 HydrophobicContact CD1-CE1 3.8Å; Y75-F593 AromaticContact CD1-CZ 3.89Å; Y75-F593 HydrophobicContact CD1-CZ 3.89Å; Y75-F593 HydrophobicContact CD2-CZ 4.13Å; Y75-F593 HydrophobicContact CE1-CE1 4.23Å; Y75-F593 HydrophobicContact CG-CE1 4.02Å; Y75-F593 AromaticContact CG-CZ 3.62Å; Y75-F593 HydrophobicContact CG-CZ 3.62Å
76	A	94	Very high	91.3	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-37.7	179.4	0	0	0	0	0	112.9	V72 V73 G80 T582 L584 S585 V591	V72-A76 VanDerWaalsContact O-CB 3.28Å; V72-A76 WeakPolarHBondContact O-CB 3.35Å; V72-A76 PolarHBondContact O-N 3.06Å; V72-A76 VanDerWaalsContact O-N 3.1Å; V73-A76 WeakPolarHBondContact O-CB 3.42Å; V73-A76 PolarHBondContact O-N 3.01Å; V73-A76 VanDerWaalsContact O-N 3.1Å; A76-G80 WeakPolarHBondContact O-CA 3.5Å; A76-G80 PolarHBondContact O-N 3.13Å; A76-T582 HydrophobicContact CB-CG2 3.89Å; A76-L584 HydrophobicContact CB-CD1 4.38Å; A76-S585 WeakPolarHBondContact O-CB 3.3Å; A76-S585 PolarHBondContact O-N 3.05Å; A76-V591 HydrophobicContact CB-CG1 4.06Å
77	E	93.8	Very high	91.4	Very high	106 Å²	106	36.6 Å²	36.6	50%	0.495	19%	0.185	S	C	.	.	H	α-helix	trans	-73.6	-40.5	176.2	-71.7	178.3	-165.6	0	0	112.5	V73 N74 Y75 G80 R81	V73-E77 WeakPolarHBondContact O-CG 3.15Å; V73-E77 PolarHBondContact O-N 3.42Å; N74-E77 PolarHBondContact O-N 2.85Å; Y75-E77 VanDerWaalsContact C-N 3.29Å; Y75-E77 PolarHBondContact O-N 3.43Å; E77-G80 PolarHBondContact O-N 2.91Å; E77-R81 WeakPolarHBondContact O-CG 3.49Å; E77-R81 PolarHBondContact O-N 3.2Å
78	R	91.1	Very high	91.5	Very high	52 Å²	52	36.3 Å²	36.3	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-51.4	176.1	-178.9	178.7	170.2	-152.1	-1.8	112.1	N74 Y75 G80 R81 I82 G490 F655	N74-R78 WeakPolarHBondContact O-CB 3.19Å; N74-R78 PolarHBondContact O-N 3.15Å; Y75-R78 PolarHBondContact O-N 2.69Å; R78-G80 VanDerWaalsContact C-N 3.34Å; R78-R81 PolarHBondContact O-N 3.31Å; R78-I82 PolarHBondContact O-N 3.09Å; R78-G490 PolarHBondContact NH1-O 3.09Å; R78-G490 VanDerWaalsContact NH1-O 3.13Å; R78-F655 VanDerWaalsContact NH2-CE2 3.31Å
79	I	89.1	Confident	91.6	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-37.8	176.7	-59.5	-58.4	0	0	0	110.8	Y75 R81 I82 I83 M487 L584	Y75-I79 HydrophobicContact CD1-CG1 4.45Å; Y75-I79 HydrophobicContact CD2-CG1 4.08Å; Y75-I79 HydrophobicContact CE1-CG1 4.05Å; Y75-I79 HydrophobicContact CE2-CD1 4.1Å; Y75-I79 HydrophobicContact CE2-CG1 3.65Å; Y75-I79 HydrophobicContact CG-CG1 4.46Å; Y75-I79 WeakPolarHBondContact O-CG1 3.44Å; Y75-I79 PolarHBondContact O-N 3.49Å; I79-R81 VanDerWaalsContact C-N 3.28Å; I79-R81 PolarHBondContact O-N 2.87Å; I79-I82 HydrophobicContact CD1-CD1 4.32Å; I79-I82 PolarHBondContact O-N 2.85Å; I79-I82 VanDerWaalsContact O-N 3.17Å; I79-I83 HydrophobicContact CG2-CD1 3.92Å; I79-I83 HydrophobicContact CG2-CG1 4.38Å; I79-I83 WeakPolarHBondContact O-CG1 3.21Å; I79-I83 PolarHBondContact O-N 2.63Å; I79-M487 HydrophobicContact CG2-CE 4.06Å; I79-M487 HydrophobicContact CG2-CG 4.49Å; I79-L584 HydrophobicContact CB-CD1 3.96Å; I79-L584 HydrophobicContact CG2-CD1 3.95Å
80	G	90.4	Very high	91.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-28.7	174.8	0	0	0	0	0	114.4	A76 E77 R78 K84 S585 N586	A76-G80 WeakPolarHBondContact O-CA 3.5Å; A76-G80 PolarHBondContact O-N 3.13Å; E77-G80 PolarHBondContact O-N 2.91Å; R78-G80 VanDerWaalsContact C-N 3.34Å; G80-K84 WeakPolarHBondContact O-CB 3.49Å; G80-K84 PolarHBondContact O-N 2.92Å; G80-K84 VanDerWaalsContact O-N 3.14Å; G80-S585 WeakPolarHBondContact CA-O 3.4Å; G80-N586 PolarHBondContact O-ND2 3.26Å
81	R	91.1	Very high	91.5	Very high	114 Å²	114	35.2 Å²	35.2	43%	0.43	17%	0.168	S	C	.	.	H	α-helix	trans	-69.1	-45.4	170.1	-79.9	-176.4	-74.6	124.6	-8	111.7	E77 R78 I79 K84 A85 E658	E77-R81 WeakPolarHBondContact O-CG 3.49Å; E77-R81 PolarHBondContact O-N 3.2Å; R78-R81 PolarHBondContact O-N 3.31Å; I79-R81 VanDerWaalsContact C-N 3.28Å; I79-R81 PolarHBondContact O-N 2.87Å; R81-K84 PolarHBondContact O-N 3.32Å; R81-A85 PolarHBondContact O-N 3.42Å; R81-E658 IonicContact CZ-OE1 3.89Å; R81-E658 IonicContact NH1-OE1 3.75Å; R81-E658 PolarHBondContact NH1-OE1 3.45Å
82	I	88.3	Confident	91.6	Very high	23 Å²	23	35 Å²	35	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-51.2	176.9	-64.9	169.3	0	0	0	110.5	R78 I79 K84 A85 M86 L486 L657	R78-I82 PolarHBondContact O-N 3.09Å; I79-I82 HydrophobicContact CD1-CD1 4.32Å; I79-I82 PolarHBondContact O-N 2.85Å; I79-I82 VanDerWaalsContact O-N 3.17Å; I82-K84 PolarHBondContact O-N 3.26Å; I82-A85 WeakPolarHBondContact O-CB 3.45Å; I82-A85 PolarHBondContact O-N 3.19Å; I82-A85 VanDerWaalsContact O-N 3.11Å; I82-M86 HydrophobicContact CG2-SD 4.05Å; I82-M86 WeakPolarHBondContact O-CG 3.19Å; I82-M86 PolarHBondContact O-N 3.14Å; I82-L486 HydrophobicContact CG2-CD2 4.37Å; I82-L657 HydrophobicContact CG2-CD1 4.38Å
83	I	88.8	Confident	91.5	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-57.9	-37.1	177.2	-68.7	173.5	0	0	0	111.2	I79 M86 E87 L440 I461 L482 L584 T587	I79-I83 HydrophobicContact CG2-CD1 3.92Å; I79-I83 HydrophobicContact CG2-CG1 4.38Å; I79-I83 WeakPolarHBondContact O-CG1 3.21Å; I79-I83 PolarHBondContact O-N 2.63Å; I83-M86 PolarHBondContact O-N 3Å; I83-E87 WeakPolarHBondContact O-CB 3.45Å; I83-E87 PolarHBondContact O-N 2.98Å; I83-L440 HydrophobicContact CD1-CD2 4.23Å; I83-L440 HydrophobicContact CG2-CD2 3.94Å; I83-I461 HydrophobicContact CG2-CD1 4.39Å; I83-L482 HydrophobicContact CD1-CD2 4.05Å; I83-L482 HydrophobicContact CG1-CD2 3.73Å; I83-L584 HydrophobicContact CD1-CD2 4.29Å; I83-T587 HydrophobicContact CD1-CG2 3.6Å; I83-T587 HydrophobicContact CG2-CG2 4.1Å
84	K	89.3	Confident	91.3	Very high	69 Å²	69	34.3 Å²	34.3	30%	0.3	17%	0.166	S	C	.	.	H	α-helix	trans	-71.4	-34.7	178.3	-167.6	60.3	-179.9	-172.3	0	113.4	G80 R81 I82 E87 N88	G80-K84 WeakPolarHBondContact O-CB 3.49Å; G80-K84 PolarHBondContact O-N 2.92Å; G80-K84 VanDerWaalsContact O-N 3.14Å; R81-K84 PolarHBondContact O-N 3.32Å; I82-K84 PolarHBondContact O-N 3.26Å; K84-E87 WeakPolarHBondContact CD-OE2 3.26Å; K84-E87 WeakPolarHBondContact CE-OE2 3.42Å; K84-E87 IonicContact NZ-OE1 3.58Å; K84-E87 PolarHBondContact NZ-OE1 3.35Å; K84-E87 IonicContact NZ-OE2 2.63Å; K84-E87 PolarHBondContact NZ-OE2 3.05Å; K84-N88 PolarHBondContact O-N 2.98Å; K84-N88 VanDerWaalsContact O-N 3.08Å; K84-N88 PolarHBondContact O-ND2 2.98Å
85	A	90.2	Very high	91.2	Very high	30 Å²	30	33.5 Å²	33.5	25%	0.248	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-46.8	172.1	0	0	0	0	0	110.9	R81 I82 E87 N88 S89 L657	R81-A85 PolarHBondContact O-N 3.42Å; I82-A85 WeakPolarHBondContact O-CB 3.45Å; I82-A85 PolarHBondContact O-N 3.19Å; I82-A85 VanDerWaalsContact O-N 3.11Å; A85-E87 PolarHBondContact O-N 2.89Å; A85-N88 PolarHBondContact O-N 2.96Å; A85-S89 PolarHBondContact O-N 3.38Å; A85-L657 HydrophobicContact CB-CD2 4.49Å
86	M	90.8	Very high	91.2	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-43.6	176.2	-63.8	174.8	82.5	0	0	112	I82 I83 N88 S89 L90 L180 I461 T480 L482	I82-M86 HydrophobicContact CG2-SD 4.05Å; I82-M86 WeakPolarHBondContact O-CG 3.19Å; I82-M86 PolarHBondContact O-N 3.14Å; I83-M86 PolarHBondContact O-N 3Å; M86-N88 VanDerWaalsContact C-N 3.34Å; M86-N88 PolarHBondContact O-N 2.01Å; M86-S89 PolarHBondContact O-N 2.89Å; M86-L90 VanDerWaalsContact O-CB 3.24Å; M86-L90 WeakPolarHBondContact O-CB 3.5Å; M86-L90 PolarHBondContact O-N 3.1Å; M86-L180 HydrophobicContact CB-CD2 4.2Å; M86-I461 HydrophobicContact CB-CD1 4.1Å; M86-I461 HydrophobicContact CE-CD1 4.17Å; M86-I461 HydrophobicContact SD-CD1 4.01Å; M86-T480 HydrophobicContact CB-CG2 4.41Å; M86-T480 HydrophobicContact CE-CG2 3.86Å; M86-L482 HydrophobicContact CE-CB 4.14Å; M86-L482 HydrophobicContact SD-CB 4.31Å; M86-L482 HydrophobicContact SD-CD1 4.41Å
87	E	89.2	Confident	91.2	Very high	21 Å²	21	38.2 Å²	38.2	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-53.7	-49	171.7	163.5	177.3	174.7	0	0	111.9	I83 K84 A85 L90 K91 V438	I83-E87 WeakPolarHBondContact O-CB 3.45Å; I83-E87 PolarHBondContact O-N 2.98Å; K84-E87 WeakPolarHBondContact CD-OE2 3.26Å; K84-E87 WeakPolarHBondContact CE-OE2 3.42Å; K84-E87 IonicContact NZ-OE1 3.58Å; K84-E87 PolarHBondContact NZ-OE1 3.35Å; K84-E87 IonicContact NZ-OE2 2.63Å; K84-E87 PolarHBondContact NZ-OE2 3.05Å; A85-E87 PolarHBondContact O-N 2.89Å; E87-L90 PolarHBondContact O-N 3.07Å; E87-K91 HydrophobicContact CG-CD 3.97Å; E87-K91 WeakPolarHBondContact O-CB 3.11Å; E87-K91 WeakPolarHBondContact O-CG 3.41Å; E87-K91 PolarHBondContact O-N 3.35Å; E87-K91 IonicContact OE1-NZ 2.62Å; E87-K91 PolarHBondContact OE1-NZ 2.62Å; E87-V438 HydrophobicContact CB-CG2 3.88Å; E87-V438 HydrophobicContact CG-CG2 3.54Å
88	N	91.3	Very high	91.1	Very high	84 Å²	84	34.1 Å²	34.1	45%	0.449	17%	0.166	S	C	.	.	H	α-helix	trans	-66.8	-45.5	-174.3	-69	-20.7	0	0	0	111	K84 A85 M86 K91 T92	K84-N88 PolarHBondContact O-N 2.98Å; K84-N88 VanDerWaalsContact O-N 3.08Å; K84-N88 PolarHBondContact O-ND2 2.98Å; A85-N88 PolarHBondContact O-N 2.96Å; M86-N88 VanDerWaalsContact C-N 3.34Å; M86-N88 PolarHBondContact O-N 2.01Å; N88-K91 WeakPolarHBondContact O-CB 3.07Å; N88-K91 PolarHBondContact O-N 3.29Å; N88-T92 PolarHBondContact O-N 3.49Å; N88-T92 VanDerWaalsContact O-N 3.13Å; N88-T92 PolarHBondContact O-OG1 3.02Å
89	S	93.3	Very high	91.1	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-42.9	174.7	-77.1	0	0	0	0	112.5	A85 M86 K91 T92 L93 E177 N179	A85-S89 PolarHBondContact O-N 3.38Å; M86-S89 PolarHBondContact O-N 2.89Å; S89-K91 VanDerWaalsContact C-N 3.31Å; S89-K91 PolarHBondContact O-N 3.03Å; S89-T92 WeakPolarHBondContact O-CB 3.47Å; S89-T92 PolarHBondContact O-N 3.06Å; S89-T92 VanDerWaalsContact O-N 3.13Å; S89-L93 PolarHBondContact O-N 3.12Å; S89-L93 VanDerWaalsContact O-N 3.12Å; S89-E177 WeakPolarHBondContact CB-OE2 3.48Å; S89-E177 PolarHBondContact OG-OE2 2.93Å; S89-N179 WeakPolarHBondContact OG-CB 3.26Å; S89-N179 PolarHBondContact OG-ND2 2.58Å
90	L	92.1	Very high	91.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-36.3	176.2	-171.8	65.7	0	0	0	111.8	M86 E87 T92 L93 V94 L180 I461 I463 M478 T480	M86-L90 VanDerWaalsContact O-CB 3.24Å; M86-L90 WeakPolarHBondContact O-CB 3.5Å; M86-L90 PolarHBondContact O-N 3.1Å; E87-L90 PolarHBondContact O-N 3.07Å; L90-T92 VanDerWaalsContact C-N 3.34Å; L90-T92 PolarHBondContact O-N 3.18Å; L90-L93 HydrophobicContact CD1-CD1 4.39Å; L90-L93 PolarHBondContact O-N 3.09Å; L90-V94 WeakPolarHBondContact O-CG2 3.3Å; L90-V94 PolarHBondContact O-N 2.95Å; L90-L180 HydrophobicContact CB-CD2 4.49Å; L90-I461 HydrophobicContact CD2-CG2 4.06Å; L90-I461 VanDerWaalsContact CD2-O 3.29Å; L90-I461 WeakPolarHBondContact CD2-O 3.42Å; L90-I463 HydrophobicContact CB-CD1 4.17Å; L90-I463 HydrophobicContact CD2-CB 4.33Å; L90-I463 HydrophobicContact CD2-CD1 3.79Å; L90-I463 HydrophobicContact CD2-CG1 3.72Å; L90-I463 HydrophobicContact CG-CD1 3.85Å; L90-I463 HydrophobicContact CG-CG1 4.21Å; L90-M478 HydrophobicContact CD1-CB 4.16Å; L90-M478 HydrophobicContact CD1-CG 3.62Å; L90-T480 HydrophobicContact CD2-CG2 4.37Å
91	K	91.2	Very high	91.1	Very high	65 Å²	65	40.2 Å²	40.2	28%	0.283	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-35	173.1	-77.1	176.1	174.6	-179.1	0	112.8	E87 N88 S89 S95 T436 I463	E87-K91 HydrophobicContact CG-CD 3.97Å; E87-K91 WeakPolarHBondContact O-CB 3.11Å; E87-K91 WeakPolarHBondContact O-CG 3.41Å; E87-K91 PolarHBondContact O-N 3.35Å; E87-K91 IonicContact OE1-NZ 2.62Å; E87-K91 PolarHBondContact OE1-NZ 2.62Å; N88-K91 WeakPolarHBondContact O-CB 3.07Å; N88-K91 PolarHBondContact O-N 3.29Å; S89-K91 VanDerWaalsContact C-N 3.31Å; S89-K91 PolarHBondContact O-N 3.03Å; K91-S95 WeakPolarHBondContact O-CB 3.48Å; K91-S95 PolarHBondContact O-N 2.68Å; K91-S95 VanDerWaalsContact O-N 3.09Å; K91-T436 WeakPolarHBondContact CE-O 3.31Å; K91-T436 PolarHBondContact NZ-O 2.79Å; K91-T436 VanDerWaalsContact NZ-O 3.17Å; K91-I463 HydrophobicContact CD-CD1 4.39Å; K91-I463 HydrophobicContact CG-CD1 3.47Å; K91-I463 VanDerWaalsContact CG-CD1 3.47Å
92	T	93.1	Very high	91	Very high	42 Å²	42	37.5 Å²	37.5	26%	0.258	20%	0.196	S	C	.	.	H	α-helix	trans	-62.4	-50.5	171.3	-51.6	0	0	0	0	111.2	N88 S89 L90 V94 S95 W96 E177	N88-T92 PolarHBondContact O-N 3.49Å; N88-T92 VanDerWaalsContact O-N 3.13Å; N88-T92 PolarHBondContact O-OG1 3.02Å; S89-T92 WeakPolarHBondContact O-CB 3.47Å; S89-T92 PolarHBondContact O-N 3.06Å; S89-T92 VanDerWaalsContact O-N 3.13Å; L90-T92 VanDerWaalsContact C-N 3.34Å; L90-T92 PolarHBondContact O-N 3.18Å; T92-V94 VanDerWaalsContact C-N 3.34Å; T92-V94 PolarHBondContact O-N 2.63Å; T92-S95 WeakPolarHBondContact O-CB 3.39Å; T92-S95 PolarHBondContact O-N 2.91Å; T92-W96 HydrophobicContact CG2-CD2 4.02Å; T92-W96 VanDerWaalsContact CG2-CE2 3.47Å; T92-W96 HydrophobicContact CG2-CE3 4.43Å; T92-W96 HydrophobicContact CG2-CH2 3.85Å; T92-W96 HydrophobicContact CG2-CZ2 3.37Å; T92-W96 HydrophobicContact CG2-CZ3 4.37Å; T92-W96 PolarHBondContact O-N 3.42Å; T92-W96 VanDerWaalsContact O-N 3.08Å; T92-E177 VanDerWaalsContact CB-OE1 3.23Å; T92-E177 WeakPolarHBondContact CB-OE1 3.29Å; T92-E177 VanDerWaalsContact CG2-OE1 3.29Å; T92-E177 WeakPolarHBondContact CG2-OE1 2.92Å; T92-E177 PolarHBondContact OG1-OE1 3.42Å
93	L	93.2	Very high	91	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.8	-43.7	178.6	-65.7	-176.8	0	0	0	112.8	S89 L90 W96 T97 I173 F174 E177 L180 T183	S89-L93 PolarHBondContact O-N 3.12Å; S89-L93 VanDerWaalsContact O-N 3.12Å; L90-L93 HydrophobicContact CD1-CD1 4.39Å; L90-L93 PolarHBondContact O-N 3.09Å; L93-W96 PolarHBondContact O-N 2.91Å; L93-T97 VanDerWaalsContact O-CB 3.32Å; L93-T97 WeakPolarHBondContact O-CB 3.45Å; L93-T97 PolarHBondContact O-N 3.01Å; L93-T97 PolarHBondContact O-OG1 3.12Å; L93-I173 HydrophobicContact CD2-CG2 3.75Å; L93-I173 VanDerWaalsContact CD2-O 3.3Å; L93-I173 WeakPolarHBondContact CD2-O 3.5Å; L93-F174 HydrophobicContact CD1-CD1 4.43Å; L93-E177 HydrophobicContact CD2-CB 4.12Å; L93-E177 HydrophobicContact CD2-CG 3.79Å; L93-E177 HydrophobicContact CG-CB 4.34Å; L93-E177 HydrophobicContact CG-CG 4.03Å; L93-L180 HydrophobicContact CD1-CD1 3.29Å; L93-L180 HydrophobicContact CG-CD1 4.03Å; L93-T183 HydrophobicContact CD1-CG2 3.54Å
94	V	91.6	Very high	91.1	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-47.2	177.4	170.9	0	0	0	0	110.4	L90 T92 W96 T97 E98 I463 V465 M478	L90-V94 WeakPolarHBondContact O-CG2 3.3Å; L90-V94 PolarHBondContact O-N 2.95Å; T92-V94 VanDerWaalsContact C-N 3.34Å; T92-V94 PolarHBondContact O-N 2.63Å; V94-W96 PolarHBondContact O-N 2.74Å; V94-T97 PolarHBondContact O-N 3.05Å; V94-T97 VanDerWaalsContact O-N 3.16Å; V94-E98 HydrophobicContact CG1-CG 4.34Å; V94-E98 WeakPolarHBondContact O-CG 3.19Å; V94-E98 PolarHBondContact O-N 3.3Å; V94-I463 HydrophobicContact CG1-CG2 4.28Å; V94-I463 HydrophobicContact CG2-CB 4.06Å; V94-I463 HydrophobicContact CG2-CG2 3.89Å; V94-V465 HydrophobicContact CG1-CG2 4.32Å; V94-V465 HydrophobicContact CG2-CG2 4.21Å; V94-M478 HydrophobicContact CG2-CB 3.57Å; V94-M478 HydrophobicContact CG2-CG 4.11Å
95	S	90.6	Very high	91	Very high	66 Å²	66	46 Å²	46	46%	0.462	24%	0.243	S	C	.	.	H	α-helix	trans	-55.8	-47.6	178.2	-170.4	0	0	0	0	112.3	K91 T92 E98 E99	K91-S95 WeakPolarHBondContact O-CB 3.48Å; K91-S95 PolarHBondContact O-N 2.68Å; K91-S95 VanDerWaalsContact O-N 3.09Å; T92-S95 WeakPolarHBondContact O-CB 3.39Å; T92-S95 PolarHBondContact O-N 2.91Å; S95-E98 PolarHBondContact O-N 3.18Å; S95-E99 PolarHBondContact O-N 3.24Å
96	W	93.4	Very high	90.7	Very high	105 Å²	105	51.6 Å²	51.6	40%	0.398	26%	0.258	S	S	.	.	H	α-helix	trans	-71.2	-31.1	179	-60.2	-8.5	0	0	0	112.7	T92 L93 V94 E99 E100 I173 T176	T92-W96 HydrophobicContact CG2-CD2 4.02Å; T92-W96 VanDerWaalsContact CG2-CE2 3.47Å; T92-W96 HydrophobicContact CG2-CE3 4.43Å; T92-W96 HydrophobicContact CG2-CH2 3.85Å; T92-W96 HydrophobicContact CG2-CZ2 3.37Å; T92-W96 HydrophobicContact CG2-CZ3 4.37Å; T92-W96 PolarHBondContact O-N 3.42Å; T92-W96 VanDerWaalsContact O-N 3.08Å; L93-W96 PolarHBondContact O-N 2.91Å; V94-W96 PolarHBondContact O-N 2.74Å; W96-E99 PolarHBondContact O-N 3.2Å; W96-E100 PolarHBondContact O-N 3.25Å; W96-I173 HydrophobicContact CB-CG2 4.46Å; W96-I173 HydrophobicContact CE3-CG2 4.38Å; W96-T176 HydrophobicContact CZ3-CG2 4.11Å; W96-T176 VanDerWaalsContact CZ3-OG1 3.29Å; W96-T176 WeakPolarHBondContact CZ3-OG1 2.87Å
97	T	93.4	Very high	90.5	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-44.3	174.7	-60.2	0	0	0	0	111.7	L93 V94 E99 E100 V101 W166 L170 V465 M478	L93-T97 VanDerWaalsContact O-CB 3.32Å; L93-T97 WeakPolarHBondContact O-CB 3.45Å; L93-T97 PolarHBondContact O-N 3.01Å; L93-T97 PolarHBondContact O-OG1 3.12Å; V94-T97 PolarHBondContact O-N 3.05Å; V94-T97 VanDerWaalsContact O-N 3.16Å; T97-E99 VanDerWaalsContact C-N 3.29Å; T97-E99 PolarHBondContact O-N 3.35Å; T97-E100 PolarHBondContact O-N 3.3Å; T97-V101 VanDerWaalsContact O-CG2 3.31Å; T97-V101 WeakPolarHBondContact O-CG2 3.33Å; T97-V101 PolarHBondContact O-N 3.28Å; T97-W166 HydrophobicContact CG2-CH2 4.41Å; T97-W166 HydrophobicContact CG2-CZ3 4.04Å; T97-L170 HydrophobicContact CG2-CD2 3.93Å; T97-L170 WeakPolarHBondContact OG1-CD2 3.09Å; T97-V465 HydrophobicContact CG2-CG1 3.94Å; T97-M478 HydrophobicContact CG2-CE 3.81Å; T97-M478 WeakPolarHBondContact OG1-CE 3.31Å
98	E	91	Very high	90.2	Very high	20 Å²	20	59 Å²	59	9%	0.093	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-36.7	173.8	-64.8	-172.8	149	0	0	111.3	V94 S95 S102 V465 Y466 R468	V94-E98 HydrophobicContact CG1-CG 4.34Å; V94-E98 WeakPolarHBondContact O-CG 3.19Å; V94-E98 PolarHBondContact O-N 3.3Å; S95-E98 PolarHBondContact O-N 3.18Å; E98-S102 PolarHBondContact O-N 2.89Å; E98-S102 VanDerWaalsContact O-N 3.09Å; E98-V465 HydrophobicContact CG-CG1 3.75Å; E98-Y466 VanDerWaalsContact CG-O 3.27Å; E98-Y466 WeakPolarHBondContact CG-O 3.43Å; E98-Y466 PolarHBondContact OE1-N 3.1Å; E98-R468 VanDerWaalsContact CD-NE 3.31Å; E98-R468 VanDerWaalsContact CD-NH2 3.28Å; E98-R468 IonicContact OE1-CZ 3.93Å; E98-R468 IonicContact OE1-NE 3.61Å; E98-R468 PolarHBondContact OE1-NE 2.84Å; E98-R468 IonicContact OE1-NH2 2.78Å; E98-R468 PolarHBondContact OE1-NH2 3.29Å; E98-R468 IonicContact OE2-CZ 3.77Å; E98-R468 IonicContact OE2-NE 2.87Å; E98-R468 PolarHBondContact OE2-NE 3.04Å; E98-R468 IonicContact OE2-NH2 2.84Å; E98-R468 PolarHBondContact OE2-NH2 3.42Å
99	E	91.4	Very high	89.9	Confident	103 Å²	103	63.5 Å²	63.5	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-46.4	174.9	-156	-163.4	124.3	0	0	112.2	S95 W96 T97 S102 K103	S95-E99 PolarHBondContact O-N 3.24Å; W96-E99 PolarHBondContact O-N 3.2Å; T97-E99 VanDerWaalsContact C-N 3.29Å; T97-E99 PolarHBondContact O-N 3.35Å; E99-S102 WeakPolarHBondContact O-CB 3.43Å; E99-S102 PolarHBondContact O-N 3.22Å; E99-S102 PolarHBondContact O-OG 2.96Å; E99-K103 WeakPolarHBondContact O-CE 3.45Å; E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 VanDerWaalsContact OE1-CE 3.28Å; E99-K103 WeakPolarHBondContact OE1-CE 3.46Å; E99-K103 IonicContact OE1-NZ 2.63Å; E99-K103 PolarHBondContact OE1-NZ 3.23Å
100	E	91.2	Very high	89.4	Confident	68 Å²	68	64.4 Å²	64.4	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-68.6	-37.7	177.9	-74.1	-55	130.5	0	0	113	W96 T97 S102 K103 Y104 V169 I173	W96-E100 PolarHBondContact O-N 3.25Å; T97-E100 PolarHBondContact O-N 3.3Å; E100-S102 PolarHBondContact O-N 3.03Å; E100-K103 WeakPolarHBondContact O-CB 3.16Å; E100-K103 PolarHBondContact O-N 3.11Å; E100-K103 VanDerWaalsContact O-N 3.08Å; E100-K103 IonicContact OE1-NZ 2.63Å; E100-K103 PolarHBondContact OE1-NZ 2.71Å; E100-Y104 PolarHBondContact O-N 3.5Å; E100-V169 HydrophobicContact CB-CG1 4.02Å; E100-V169 HydrophobicContact CG-CG1 4.34Å; E100-V169 HydrophobicContact CG-CG2 4.08Å; E100-I173 HydrophobicContact CG-CD1 3.96Å
101	V	89.6	Confident	88.9	Confident	14 Å²	14	70.2 Å²	70.2	9%	0.085	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-36.7	173	173.3	0	0	0	0	111.1	T97 K103 Y104 W166 N467 L475	T97-V101 VanDerWaalsContact O-CG2 3.31Å; T97-V101 WeakPolarHBondContact O-CG2 3.33Å; T97-V101 PolarHBondContact O-N 3.28Å; V101-K103 PolarHBondContact O-N 3.29Å; V101-K103 VanDerWaalsContact O-N 3.11Å; V101-Y104 WeakPolarHBondContact O-CB 3.38Å; V101-Y104 PolarHBondContact O-N 3.16Å; V101-W166 HydrophobicContact CG2-CD2 3.83Å; V101-W166 HydrophobicContact CG2-CE3 3.4Å; V101-W166 VanDerWaalsContact CG2-CE3 3.4Å; V101-W166 HydrophobicContact CG2-CH2 3.68Å; V101-W166 HydrophobicContact CG2-CZ2 4.06Å; V101-W166 HydrophobicContact CG2-CZ3 3.33Å; V101-N467 HydrophobicContact CG1-CB 4.43Å; V101-L475 HydrophobicContact CB-CD1 4.19Å; V101-L475 HydrophobicContact CG1-CD1 3.73Å; V101-L475 HydrophobicContact CG2-CD1 4.03Å
102	S	87.8	Confident	88.2	Confident	57 Å²	57	69.4 Å²	69.4	40%	0.399	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-20.4	177.1	83	0	0	0	0	114	E98 E99 E100	E98-S102 PolarHBondContact O-N 2.89Å; E98-S102 VanDerWaalsContact O-N 3.09Å; E99-S102 WeakPolarHBondContact O-CB 3.43Å; E99-S102 PolarHBondContact O-N 3.22Å; E99-S102 PolarHBondContact O-OG 2.96Å; E100-S102 PolarHBondContact O-N 3.03Å
103	K	89.7	Confident	87.4	Confident	102 Å²	102	74 Å²	74	44%	0.443	37%	0.374	S	S	.	.	H	α-helix	trans	-90.9	-15.3	178.2	-58.6	164.5	-161.6	173.2	0	112.6	E99 E100 V101 S105	E99-K103 WeakPolarHBondContact O-CE 3.45Å; E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 VanDerWaalsContact OE1-CE 3.28Å; E99-K103 WeakPolarHBondContact OE1-CE 3.46Å; E99-K103 IonicContact OE1-NZ 2.63Å; E99-K103 PolarHBondContact OE1-NZ 3.23Å; E100-K103 WeakPolarHBondContact O-CB 3.16Å; E100-K103 PolarHBondContact O-N 3.11Å; E100-K103 VanDerWaalsContact O-N 3.08Å; E100-K103 IonicContact OE1-NZ 2.63Å; E100-K103 PolarHBondContact OE1-NZ 2.71Å; V101-K103 PolarHBondContact O-N 3.29Å; V101-K103 VanDerWaalsContact O-N 3.11Å; K103-S105 PolarHBondContact O-N 2.73Å
104	Y	89.5	Confident	86.6	Confident	70 Å²	70	79.2 Å²	79.2	28%	0.275	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-74.7	117.5	-175.1	-176.3	-96.2	0	0	0	112.3	E100 V101 H162 R165 W166	E100-Y104 PolarHBondContact O-N 3.5Å; V101-Y104 WeakPolarHBondContact O-CB 3.38Å; V101-Y104 PolarHBondContact O-N 3.16Å; Y104-H162 HydrophobicContact CE1-CB 4.37Å; Y104-R165 HydrophobicContact CE2-CG 4.11Å; Y104-W166 HydrophobicContact CD1-CB 4.29Å; Y104-W166 HydrophobicContact CD2-CB 3.53Å; Y104-W166 HydrophobicContact CE2-CB 3.82Å; Y104-W166 HydrophobicContact CG-CB 3.78Å
105	S	86.7	Confident	86	Confident	101 Å²	101	80.1 Å²	80.1	71%	0.706	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-96.5	123.5	176.8	-63.4	0	0	0	0	111.6	K103 N107	K103-S105 PolarHBondContact O-N 2.73Å; S105-N107 PolarHBondContact O-N 2.65Å
106	W	85	Confident	85.8	Confident	147 Å²	147	86 Å²	86	56%	0.557	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-60.3	118.2	179.6	-173.3	-85	0	0	0	112.1	P108 H162	W106-P108 VanDerWaalsContact O-CD 3.31Å; W106-P108 WeakPolarHBondContact O-CD 3.28Å; W106-H162 AromaticContact CD1-CE1 3.89Å; W106-H162 AromaticContact CD2-CE1 3.49Å; W106-H162 VanDerWaalsContact CD2-CE1 3.49Å; W106-H162 AromaticContact CD2-ND1 3.08Å; W106-H162 AromaticContact CE2-CE1 3.34Å; W106-H162 AromaticContact CE2-ND1 3.19Å; W106-H162 HydrophobicContact CE3-CB 4.35Å; W106-H162 AromaticContact CE3-CE1 3.98Å; W106-H162 AromaticContact CE3-ND1 3.09Å; W106-H162 AromaticContact CG-CE1 3.83Å; W106-H162 AromaticContact CG-ND1 3.81Å; W106-H162 HydrophobicContact CH2-CB 4.29Å; W106-H162 AromaticContact CH2-ND1 3.35Å; W106-H162 VanDerWaalsContact CH2-ND1 3.35Å; W106-H162 WeakPolarHBondContact CH2-ND1 3.49Å; W106-H162 AromaticContact CZ2-CE1 3.71Å; W106-H162 AromaticContact CZ2-ND1 3.34Å; W106-H162 VanDerWaalsContact CZ2-ND1 3.34Å; W106-H162 WeakPolarHBondContact CZ2-ND1 3.44Å; W106-H162 HydrophobicContact CZ3-CB 3.93Å; W106-H162 AromaticContact CZ3-CG 3.93Å; W106-H162 AromaticContact CZ3-ND1 3.22Å; W106-H162 WeakPolarHBondContact CZ3-ND1 3.31Å; W106-H162 AromaticContact NE1-CE1 3.6Å; W106-H162 AromaticContact NE1-ND1 3.93Å
107	N	86.5	Confident	85.6	Confident	72 Å²	72	84.3 Å²	84.3	39%	0.385	42%	0.416	S	S	.	.			trans	-107.5	97.6	-176.7	178.8	8.4	0	0	0	112	S105 K109 L110 H162	S105-N107 PolarHBondContact O-N 2.65Å; N107-K109 PolarHBondContact O-N 3Å; N107-K109 WeakPolarHBondContact OD1-CB 3.38Å; N107-K109 PolarHBondContact OD1-N 2.69Å; N107-L110 HydrophobicContact CB-CB 4.41Å; N107-L110 WeakPolarHBondContact O-CB 3.37Å; N107-L110 PolarHBondContact O-N 2.97Å; N107-H162 PolarHBondContact O-CE1 2.93Å; N107-H162 PolarHBondContact O-NE2 3.27Å; N107-H162 VanDerWaalsContact O-NE2 3.16Å
108	P	83.8	Confident	85.5	Confident	112 Å²	112	85.8 Å²	85.8	73%	0.727	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	4.9	-178.4	31	-37.3	0	0	0	114.7	W106	W106-P108 VanDerWaalsContact O-CD 3.31Å; W106-P108 WeakPolarHBondContact O-CD 3.28Å
109	K	83.9	Confident	85.5	Confident	177 Å²	177	85.3 Å²	85.3	77%	0.77	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-2	171.8	-61.2	-177.4	179.6	178.5	0	113.5	N107	N107-K109 PolarHBondContact O-N 3Å; N107-K109 WeakPolarHBondContact OD1-CB 3.38Å; N107-K109 PolarHBondContact OD1-N 2.69Å
110	L	82.9	Confident	85.4	Confident	26 Å²	26	80.4 Å²	80.4	14%	0.136	40%	0.399	C	S	.	.			trans	-69.2	148.7	176.4	-163.5	64.4	0	0	0	109.9	N107 I114 I115 F161 R165	N107-L110 HydrophobicContact CB-CB 4.41Å; N107-L110 WeakPolarHBondContact O-CB 3.37Å; N107-L110 PolarHBondContact O-N 2.97Å; L110-I114 HydrophobicContact CD1-CB 4.44Å; L110-I114 HydrophobicContact CD1-CD1 4.35Å; L110-I114 HydrophobicContact CD1-CG2 4.25Å; L110-I115 HydrophobicContact CD2-CD1 3.91Å; L110-I115 HydrophobicContact CD2-CG1 4.38Å; L110-I115 HydrophobicContact CG-CD1 4.21Å; L110-F161 HydrophobicContact CB-CE2 4.07Å; L110-F161 HydrophobicContact CD2-CD2 4.39Å; L110-F161 HydrophobicContact CG-CD2 4.41Å; L110-F161 HydrophobicContact CG-CE2 4.35Å; L110-F161 WeakPolarHBondContact O-CE2 3.31Å; L110-F161 WeakPolarHBondContact O-CZ 3.16Å; L110-R165 HydrophobicContact CD2-CB 3.84Å; L110-R165 HydrophobicContact CD2-CG 3.76Å
111	K	81.6	Confident	85.2	Confident	121 Å²	121	80.8 Å²	80.8	53%	0.526	40%	0.398	S	S	.	.			trans	-128.8	151.2	-179.6	-72.7	-171.8	171.4	-166.9	0	109.8	D113 I114	K111-D113 VanDerWaalsContact C-N 3.32Å; K111-D113 PolarHBondContact O-N 3.21Å; K111-I114 HydrophobicContact CB-CD1 4.03Å; K111-I114 HydrophobicContact CB-CG1 4.26Å; K111-I114 PolarHBondContact O-N 2.9Å
112	P	76.8	Confident	85	Confident	48 Å²	48	87.6 Å²	87.6	31%	0.312	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-56.6	-44.4	178.7	21.8	-32.4	0	0	0	112.1	I114 I115 F161	P112-I114 PolarHBondContact O-N 3.01Å; P112-I115 PolarHBondContact O-N 3.28Å; P112-F161 HydrophobicContact CB-CD1 4.27Å
113	D	75.6	Confident	84.9	Confident	138 Å²	138	85 Å²	85	74%	0.738	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-54.4	-17.2	-177.8	-28.5	-39.4	0	0	0	115.4	K111	K111-D113 VanDerWaalsContact C-N 3.32Å; K111-D113 PolarHBondContact O-N 3.21Å
114	I	76.8	Confident	84.7	Confident	110 Å²	110	86.7 Å²	86.7	56%	0.564	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-87.8	-22.5	-177	-59.2	174	0	0	0	111.3	L110 K111 P112	L110-I114 HydrophobicContact CD1-CB 4.44Å; L110-I114 HydrophobicContact CD1-CD1 4.35Å; L110-I114 HydrophobicContact CD1-CG2 4.25Å; K111-I114 HydrophobicContact CB-CD1 4.03Å; K111-I114 HydrophobicContact CB-CG1 4.26Å; K111-I114 PolarHBondContact O-N 2.9Å; P112-I114 PolarHBondContact O-N 3.01Å
115	I	79.8	Confident	84.1	Confident	25 Å²	25	87.9 Å²	87.9	13%	0.128	43%	0.429	C	S	.	.			trans	-95.9	115.7	-169.1	-63.6	149.5	0	0	0	109.7	L110 P112 F161 L164 R165	L110-I115 HydrophobicContact CD2-CD1 3.91Å; L110-I115 HydrophobicContact CD2-CG1 4.38Å; L110-I115 HydrophobicContact CG-CD1 4.21Å; P112-I115 PolarHBondContact O-N 3.28Å; I115-F161 HydrophobicContact CD1-CB 3.67Å; I115-F161 HydrophobicContact CD1-CD2 3.91Å; I115-F161 HydrophobicContact CD1-CG 4.2Å; I115-F161 WeakPolarHBondContact CD1-O 3.26Å; I115-L164 HydrophobicContact CG2-CB 3.83Å; I115-R165 HydrophobicContact CD1-CB 4.23Å; I115-R165 HydrophobicContact CG1-CB 4.25Å
116	K	85.5	Confident	83.7	Confident	189 Å²	189	86.5 Å²	86.5	82%	0.822	43%	0.43	S	S	*	.			trans	-98.7	138	174.1	-63.6	-173.8	177.1	-173.7	0	110
117	Y	90	Very high	83.7	Confident	69 Å²	69	81.4 Å²	81.4	27%	0.271	41%	0.414	S	S	.	.			trans	-146.2	163.1	171.4	61	-90	0	0	0	108.4	D119 V147 L164	Y117-D119 HydrophobicContact CD2-CB 4.27Å; Y117-D119 HydrophobicContact CE2-CB 3.71Å; Y117-V147 HydrophobicContact CD2-CB 3.76Å; Y117-V147 HydrophobicContact CD2-CG1 4.31Å; Y117-V147 HydrophobicContact CD2-CG2 4.27Å; Y117-V147 HydrophobicContact CE2-CB 4.35Å; Y117-V147 HydrophobicContact CG-CB 4.39Å; Y117-V147 HydrophobicContact CG-CG2 4.46Å; Y117-L164 HydrophobicContact CD1-CD1 4.15Å; Y117-L164 HydrophobicContact CD1-CD2 4.45Å; Y117-L164 HydrophobicContact CE1-CD1 3.87Å
118	N	91.2	Very high	83.7	Confident	33 Å²	33	88 Å²	88	18%	0.176	44%	0.439	C	S	.	.			trans	-86.9	110.4	168.9	-59.8	-61.7	0	0	0	107.9	L120 R129 S145 G146 V147	N118-L120 PolarHBondContact O-N 3.16Å; N118-R129 PolarHBondContact OD1-NH1 3.27Å; N118-S145 PolarHBondContact ND2-O 3.42Å; N118-G146 CarbonylContact O-C 3.53Å; N118-G146 WeakPolarHBondContact O-CA 3.32Å; N118-V147 PolarHBondContact O-N 2.59Å
119	D	90.6	Very high	83.9	Confident	9 Å²	9	88.2 Å²	88.2	5%	0.048	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-73.7	121.5	172.7	-160.8	-58.9	0	0	0	109.3	Y117 R121 E122 L123 V147	Y117-D119 HydrophobicContact CD2-CB 4.27Å; Y117-D119 HydrophobicContact CE2-CB 3.71Å; D119-R121 PolarHBondContact O-N 3.23Å; D119-R121 VanDerWaalsContact O-N 3.15Å; D119-R121 WeakPolarHBondContact OD1-CB 3.35Å; D119-R121 IonicContact OD1-CZ 3.27Å; D119-R121 PolarHBondContact OD1-N 3.06Å; D119-R121 IonicContact OD1-NE 3.75Å; D119-R121 PolarHBondContact OD1-NE 2.86Å; D119-R121 IonicContact OD1-NH2 3.84Å; D119-R121 IonicContact OD2-CZ 2.7Å; D119-R121 IonicContact OD2-NE 2.93Å; D119-R121 IonicContact OD2-NH2 3.52Å; D119-R121 PolarHBondContact OD2-NH2 3.4Å; D119-E122 HydrophobicContact CB-CB 4.27Å; D119-E122 HydrophobicContact CB-CG 3.99Å; D119-E122 PolarHBondContact O-N 3.32Å; D119-E122 VanDerWaalsContact O-N 3.12Å; D119-L123 PolarHBondContact O-N 3.31Å; D119-V147 CarbonylContact C-O 3.49Å; D119-V147 WeakPolarHBondContact CA-O 3.46Å
120	L	89.3	Confident	84.1	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.6	-177.6	-69.2	164.9	0	0	0	111.6	N118 L123 V147 H148 V194 A197 F198 W200	N118-L120 PolarHBondContact O-N 3.16Å; L120-L123 HydrophobicContact CD2-CD1 4.35Å; L120-V147 PolarHBondContact N-O 3.16Å; L120-H148 HydrophobicContact CD1-CB 4.15Å; L120-V194 HydrophobicContact CD1-CG2 4.29Å; L120-A197 HydrophobicContact CD2-CB 4.22Å; L120-F198 HydrophobicContact CD2-CD1 4.33Å; L120-F198 HydrophobicContact CD2-CE1 4.45Å; L120-F198 WeakPolarHBondContact CD2-O 3.23Å; L120-W200 HydrophobicContact CB-CB 3.92Å; L120-W200 HydrophobicContact CB-CE3 4.2Å; L120-W200 HydrophobicContact CB-CG 4.47Å; L120-W200 HydrophobicContact CD1-CE3 3.98Å; L120-W200 HydrophobicContact CD1-CZ3 4.19Å; L120-W200 VanDerWaalsContact O-CB 3.25Å; L120-W200 WeakPolarHBondContact O-CB 3.48Å; L120-W200 PolarHBondContact O-N 3.43Å
121	R	86	Confident	84.4	Confident	77 Å²	77	82.2 Å²	82.2	29%	0.291	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.8	-179.2	-55.2	166.3	-64	-177.8	-2.2	113.2	D119 L149 W200	D119-R121 PolarHBondContact O-N 3.23Å; D119-R121 VanDerWaalsContact O-N 3.15Å; D119-R121 WeakPolarHBondContact OD1-CB 3.35Å; D119-R121 IonicContact OD1-CZ 3.27Å; D119-R121 PolarHBondContact OD1-N 3.06Å; D119-R121 IonicContact OD1-NE 3.75Å; D119-R121 PolarHBondContact OD1-NE 2.86Å; D119-R121 IonicContact OD1-NH2 3.84Å; D119-R121 IonicContact OD2-CZ 2.7Å; D119-R121 IonicContact OD2-NE 2.93Å; D119-R121 IonicContact OD2-NH2 3.52Å; D119-R121 PolarHBondContact OD2-NH2 3.4Å; R121-L149 VanDerWaalsContact CZ-O 3.22Å; R121-L149 PolarHBondContact NH1-O 2.96Å; R121-L149 PolarHBondContact NH2-O 3.09Å; R121-W200 HydrophobicContact CG-CB 4.14Å; R121-W200 HydrophobicContact CG-CG 4.12Å
122	E	86.8	Confident	84.3	Confident	157 Å²	157	81.4 Å²	81.4	73%	0.734	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-19.2	174.3	-66.9	-174.6	166.3	0	0	112.2	D119 K124	D119-E122 HydrophobicContact CB-CB 4.27Å; D119-E122 HydrophobicContact CB-CG 3.99Å; D119-E122 PolarHBondContact O-N 3.32Å; D119-E122 VanDerWaalsContact O-N 3.12Å; E122-K124 PolarHBondContact O-N 3.24Å
123	L	86	Confident	84.3	Confident	2 Å²	2	80.2 Å²	80.2	1%	0.01	40%	0.4	C	S	.	.			trans	-71.4	110.6	176.1	-63.6	178.8	0	0	0	110.8	D119 L120 M141 A197 F198 P199	D119-L123 PolarHBondContact O-N 3.31Å; L120-L123 HydrophobicContact CD2-CD1 4.35Å; L123-M141 HydrophobicContact CD1-CE 4.06Å; L123-M141 HydrophobicContact CD2-CE 3.57Å; L123-A197 HydrophobicContact CD1-CB 4.09Å; L123-F198 WeakPolarHBondContact CD1-O 3.22Å; L123-P199 WeakPolarHBondContact O-CA 3.43Å; L123-P199 WeakPolarHBondContact O-CB 3.36Å
124	K	84.2	Confident	84	Confident	137 Å²	137	79.3 Å²	79.3	60%	0.596	40%	0.402	S	S	*	.			trans	-94.8	151.2	171.6	-54.5	-160.7	175.2	-166.1	0	110.4	E122 G126 D127 L130	E122-K124 PolarHBondContact O-N 3.24Å; K124-G126 PolarHBondContact O-N 2.93Å; K124-D127 WeakPolarHBondContact O-CB 3.47Å; K124-D127 PolarHBondContact O-N 2.88Å; K124-L130 VanDerWaalsContact O-CD1 3.26Å; K124-L130 WeakPolarHBondContact O-CD1 3.21Å
125	L	77.1	Confident	83.5	Confident	96 Å²	96	75.1 Å²	75.1	50%	0.503	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-27.9	178	-98.5	73.5	0	0	0	114.6	P199	L125-P199 HydrophobicContact CD1-CB 3.82Å; L125-P199 HydrophobicContact CD1-CG 3.98Å
126	G	79.2	Confident	83.2	Confident	72 Å²	72	76.4 Å²	76.4	74%	0.742	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	6.7	178.3	0	0	0	0	0	115.7	K124 K128	K124-G126 PolarHBondContact O-N 2.93Å; G126-K128 PolarHBondContact O-N 3.02Å
127	D	84.9	Confident	82.4	Confident	40 Å²	40	71.2 Å²	71.2	21%	0.214	37%	0.367	C	S	.	.			trans	-67.4	122.3	174.2	-172.9	-27.7	0	0	0	110.1	K124 R129 L130	K124-D127 WeakPolarHBondContact O-CB 3.47Å; K124-D127 PolarHBondContact O-N 2.88Å; D127-R129 PolarHBondContact O-N 3.19Å; D127-R129 VanDerWaalsContact OD1-CB 3.31Å; D127-R129 WeakPolarHBondContact OD1-CB 3.24Å; D127-R129 VanDerWaalsContact OD1-CG 3.3Å; D127-R129 WeakPolarHBondContact OD1-CG 3.38Å; D127-R129 PolarHBondContact OD1-N 3.26Å; D127-R129 IonicContact OD1-NE 2.65Å; D127-R129 PolarHBondContact OD1-NE 3.47Å; D127-R129 IonicContact OD2-CZ 2.73Å; D127-R129 VanDerWaalsContact OD2-CZ 3.23Å; D127-R129 IonicContact OD2-NE 3.62Å; D127-R129 PolarHBondContact OD2-NE 3.15Å; D127-R129 IonicContact OD2-NH2 3.59Å; D127-R129 PolarHBondContact OD2-NH2 2.73Å; D127-L130 HydrophobicContact CB-CD1 3.99Å; D127-L130 HydrophobicContact CB-CG 4.17Å; D127-L130 WeakPolarHBondContact O-CB 3.05Å; D127-L130 PolarHBondContact O-N 2.82Å
128	K	85.4	Confident	81.6	Confident	209 Å²	209	68.2 Å²	68.2	91%	0.909	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.7	-178.8	-62.8	-174	177.5	-174.3	0	114.3	G126 L130	G126-K128 PolarHBondContact O-N 3.02Å; K128-L130 VanDerWaalsContact C-N 3.3Å
129	R	87.8	Confident	81.2	Confident	117 Å²	117	69.8 Å²	69.8	44%	0.442	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.9	173.9	-61.5	179.5	-67.3	162.9	-5	113.4	N118 D127 M141	N118-R129 PolarHBondContact OD1-NH1 3.27Å; D127-R129 PolarHBondContact O-N 3.19Å; D127-R129 VanDerWaalsContact OD1-CB 3.31Å; D127-R129 WeakPolarHBondContact OD1-CB 3.24Å; D127-R129 VanDerWaalsContact OD1-CG 3.3Å; D127-R129 WeakPolarHBondContact OD1-CG 3.38Å; D127-R129 PolarHBondContact OD1-N 3.26Å; D127-R129 IonicContact OD1-NE 2.65Å; D127-R129 PolarHBondContact OD1-NE 3.47Å; D127-R129 IonicContact OD2-CZ 2.73Å; D127-R129 VanDerWaalsContact OD2-CZ 3.23Å; D127-R129 IonicContact OD2-NE 3.62Å; D127-R129 PolarHBondContact OD2-NE 3.15Å; D127-R129 IonicContact OD2-NH2 3.59Å; D127-R129 PolarHBondContact OD2-NH2 2.73Å; R129-M141 HydrophobicContact CB-CE 3.98Å; R129-M141 HydrophobicContact CB-CG 4.3Å; R129-M141 HydrophobicContact CB-SD 4.38Å
130	L	88.2	Confident	81	Confident	12 Å²	12	69.8 Å²	69.8	6%	0.063	36%	0.361	C	S	.	.			trans	-95.5	129	-178.6	-58.1	171.4	0	0	0	110.5	K124 D127 K128 K139 I140 M141 P199	K124-L130 VanDerWaalsContact O-CD1 3.26Å; K124-L130 WeakPolarHBondContact O-CD1 3.21Å; D127-L130 HydrophobicContact CB-CD1 3.99Å; D127-L130 HydrophobicContact CB-CG 4.17Å; D127-L130 WeakPolarHBondContact O-CB 3.05Å; D127-L130 PolarHBondContact O-N 2.82Å; K128-L130 VanDerWaalsContact C-N 3.3Å; L130-K139 HydrophobicContact CB-CB 3.8Å; L130-I140 WeakPolarHBondContact CA-O 3.43Å; L130-M141 HydrophobicContact CD2-CB 4.14Å; L130-P199 HydrophobicContact CD1-CG 3.53Å
131	V	89.3	Confident	81.1	Confident	66 Å²	66	70.3 Å²	70.3	40%	0.4	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-123.8	149.3	179.7	-54.8	0	0	0	0	110.7	K139 I140 P142	V131-K139 CarbonylContact O-C 3.59Å; V131-K139 VanDerWaalsContact O-CA 3.29Å; V131-K139 WeakPolarHBondContact O-CA 3.39Å; V131-I140 PolarHBondContact N-O 2.75Å; V131-I140 PolarHBondContact O-N 2.83Å; V131-P142 HydrophobicContact CG2-CG 4.11Å
132	D	80.9	Confident	80.9	Confident	103 Å²	103	69.5 Å²	69.5	55%	0.551	37%	0.368	S	S	*	.			trans	-71.3	132.8	166.7	-43.4	-86.6	0	0	0	108.3	K139	D132-K139 VanDerWaalsContact OD1-CG 3.25Å; D132-K139 WeakPolarHBondContact OD1-CG 3.3Å; D132-K139 IonicContact OD1-NZ 2.8Å; D132-K139 PolarHBondContact OD1-NZ 3.46Å; D132-K139 IonicContact OD2-NZ 3.21Å; D132-K139 PolarHBondContact OD2-NZ 3.26Å
133	A	77	Confident	80.9	Confident	23 Å²	23	67.6 Å²	67.6	19%	0.19	36%	0.363	C	S	.	.			trans	-137.1	139.5	-174	0	0	0	0	0	111.3	G135 Y136 I140	A133-G135 PolarHBondContact O-N 3.47Å; A133-Y136 HydrophobicContact CB-CD2 3.99Å; A133-Y136 PolarHBondContact O-N 3Å; A133-Y136 VanDerWaalsContact O-N 3.12Å; A133-I140 HydrophobicContact CB-CD1 3.64Å; A133-I140 HydrophobicContact CB-CG1 3.8Å
134	P	68.5	Low	81.2	Confident	120 Å²	120	71.8 Å²	71.8	78%	0.779	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	136.7	177	26.7	-34	0	0	0	110.7
135	G	66.3	Low	81.7	Confident	21 Å²	21	65.3 Å²	65.3	22%	0.216	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-6	-172.8	0	0	0	0	0	114.1	A133 H181 H653	A133-G135 PolarHBondContact O-N 3.47Å; G135-H181 PolarHBondContact O-CE1 2.85Å; G135-H653 PolarHBondContact N-CE1 3.42Å; G135-H653 PolarHBondContact N-NE2 3.14Å
136	Y	73.5	Confident	82.5	Confident	52 Å²	52	60.7 Å²	60.7	20%	0.204	33%	0.329	C	S	.	.			trans	-127.9	126	-175.5	-60.9	-86.3	0	0	0	111.2	A133 F138 I140 H181 F182 P196	A133-Y136 HydrophobicContact CB-CD2 3.99Å; A133-Y136 PolarHBondContact O-N 3Å; A133-Y136 VanDerWaalsContact O-N 3.12Å; Y136-F138 PolarHBondContact O-N 3.33Å; Y136-F138 VanDerWaalsContact O-N 3.1Å; Y136-I140 HydrophobicContact CD1-CD1 4.44Å; Y136-I140 HydrophobicContact CD1-CG2 3.98Å; Y136-I140 HydrophobicContact CD2-CD1 3.72Å; Y136-I140 HydrophobicContact CE2-CD1 3.85Å; Y136-I140 HydrophobicContact CG-CD1 4.04Å; Y136-I140 HydrophobicContact CG-CG2 4.12Å; Y136-H181 AromaticContact CD1-CE1 3.97Å; Y136-H181 AromaticContact CE1-CE1 3.82Å; Y136-H181 AromaticContact CE1-ND1 3.99Å; Y136-F182 HydrophobicContact CD1-CD2 4.33Å; Y136-F182 HydrophobicContact CD1-CE1 4.25Å; Y136-F182 AromaticContact CD1-CE2 3.44Å; Y136-F182 HydrophobicContact CD1-CE2 3.44Å; Y136-F182 VanDerWaalsContact CD1-CE2 3.44Å; Y136-F182 AromaticContact CD1-CZ 3.38Å; Y136-F182 HydrophobicContact CD1-CZ 3.38Å; Y136-F182 HydrophobicContact CE1-CD1 4.45Å; Y136-F182 HydrophobicContact CE1-CD2 4.04Å; Y136-F182 HydrophobicContact CE1-CE1 4.01Å; Y136-F182 AromaticContact CE1-CE2 3.56Å; Y136-F182 HydrophobicContact CE1-CE2 3.56Å; Y136-F182 HydrophobicContact CE1-CG 4.45Å; Y136-F182 AromaticContact CE1-CZ 3.54Å; Y136-F182 HydrophobicContact CE1-CZ 3.54Å; Y136-P196 HydrophobicContact CD1-CG 4.43Å; Y136-P196 HydrophobicContact CE1-CG 3.74Å
137	H	67.6	Low	83.2	Confident	81 Å²	81	57.3 Å²	57.3	38%	0.375	29%	0.294	S	S	.	.	S	Bend	trans	-74.3	2.9	-177.8	-59.1	-102.4	0	0	0	114	Y452 E485	H137-Y452 HydrophobicContact CB-CE1 4.44Å; H137-Y452 AromaticContact CD2-CE1 3.6Å; H137-Y452 AromaticContact CD2-CZ 4Å; H137-E485 IonicContact CE1-OE1 2.97Å; H137-E485 IonicContact CE1-OE2 3.85Å; H137-E485 PolarHBondContact CE1-OE2 3.47Å; H137-E485 IonicContact NE2-OE2 2.66Å
138	F	74.1	Confident	83.5	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.022	28%	0.284	C	S	.	.	S	Bend	trans	-161.8	165.4	-166.9	65.3	-59.9	0	0	0	110.7	Y136 F182 F198 T449 Q451 Y452	Y136-F138 PolarHBondContact O-N 3.33Å; Y136-F138 VanDerWaalsContact O-N 3.1Å; F138-F182 AromaticContact CE1-CE2 3.66Å; F138-F182 HydrophobicContact CE1-CE2 3.66Å; F138-F182 AromaticContact CE1-CZ 3.51Å; F138-F182 HydrophobicContact CE1-CZ 3.51Å; F138-F182 HydrophobicContact CE2-CZ 4.41Å; F138-F182 HydrophobicContact CZ-CE1 4.19Å; F138-F182 AromaticContact CZ-CE2 3.81Å; F138-F182 HydrophobicContact CZ-CE2 3.81Å; F138-F182 AromaticContact CZ-CZ 3.31Å; F138-F182 HydrophobicContact CZ-CZ 3.31Å; F138-F198 HydrophobicContact CD2-CB 4.24Å; F138-F198 HydrophobicContact CE2-CB 3.55Å; F138-F198 HydrophobicContact CE2-CD1 4.48Å; F138-F198 AromaticContact CE2-CD2 3.71Å; F138-F198 HydrophobicContact CE2-CD2 3.71Å; F138-F198 AromaticContact CE2-CG 3.67Å; F138-F198 HydrophobicContact CE2-CG 3.67Å; F138-F198 HydrophobicContact CZ-CB 4.29Å; F138-F198 HydrophobicContact CZ-CD2 4.41Å; F138-F198 HydrophobicContact CZ-CG 4.19Å; F138-T449 HydrophobicContact CD2-CG2 4.48Å; F138-T449 HydrophobicContact CE2-CG2 3.9Å; F138-T449 HydrophobicContact CZ-CG2 4.18Å; F138-Q451 HydrophobicContact CB-CB 3.71Å; F138-Q451 HydrophobicContact CB-CG 4.26Å; F138-Q451 HydrophobicContact CD2-CB 4.23Å; F138-Q451 HydrophobicContact CG-CB 4.13Å; F138-Y452 HydrophobicContact CD1-CD2 4.45Å; F138-Y452 HydrophobicContact CD1-CE2 4.03Å; F138-Y452 AromaticContact CE1-CD2 3.8Å; F138-Y452 HydrophobicContact CE1-CD2 3.8Å; F138-Y452 AromaticContact CE1-CE2 3.18Å; F138-Y452 HydrophobicContact CE1-CE2 3.18Å; F138-Y452 AromaticContact CE1-CZ 3.76Å; F138-Y452 HydrophobicContact CZ-CD2 4Å; F138-Y452 AromaticContact CZ-CE2 3.64Å; F138-Y452 HydrophobicContact CZ-CE2 3.64Å
139	K	82.4	Confident	83.7	Confident	67 Å²	67	45.9 Å²	45.9	29%	0.291	24%	0.242	S	C	.	.			trans	-76.5	132.1	-171.4	-58.9	-179.3	-173	-71	0	112	L130 V131 D132 P199	L130-K139 HydrophobicContact CB-CB 3.8Å; V131-K139 CarbonylContact O-C 3.59Å; V131-K139 VanDerWaalsContact O-CA 3.29Å; V131-K139 WeakPolarHBondContact O-CA 3.39Å; D132-K139 VanDerWaalsContact OD1-CG 3.25Å; D132-K139 WeakPolarHBondContact OD1-CG 3.3Å; D132-K139 IonicContact OD1-NZ 2.8Å; D132-K139 PolarHBondContact OD1-NZ 3.46Å; D132-K139 IonicContact OD2-NZ 3.21Å; D132-K139 PolarHBondContact OD2-NZ 3.26Å; K139-P199 WeakPolarHBondContact O-CD 3.26Å
140	I	87.4	Confident	83.6	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.041	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-121.7	159.7	-177.3	59	159.5	0	0	0	111.7	L130 V131 A133 Y136 P142 F182 P196 A197	L130-I140 WeakPolarHBondContact CA-O 3.43Å; V131-I140 PolarHBondContact N-O 2.75Å; V131-I140 PolarHBondContact O-N 2.83Å; A133-I140 HydrophobicContact CB-CD1 3.64Å; A133-I140 HydrophobicContact CB-CG1 3.8Å; Y136-I140 HydrophobicContact CD1-CD1 4.44Å; Y136-I140 HydrophobicContact CD1-CG2 3.98Å; Y136-I140 HydrophobicContact CD2-CD1 3.72Å; Y136-I140 HydrophobicContact CE2-CD1 3.85Å; Y136-I140 HydrophobicContact CG-CD1 4.04Å; Y136-I140 HydrophobicContact CG-CG2 4.12Å; I140-P142 WeakPolarHBondContact O-CD 3.41Å; I140-F182 HydrophobicContact CG2-CZ 4.24Å; I140-P196 HydrophobicContact CB-CB 4.08Å; I140-P196 HydrophobicContact CB-CG 3.92Å; I140-P196 HydrophobicContact CD1-CB 3.92Å; I140-P196 HydrophobicContact CD1-CG 3.57Å; I140-P196 HydrophobicContact CG1-CG 4.36Å; I140-P196 HydrophobicContact CG2-CG 3.89Å; I140-A197 CarbonylContact C-O 3.49Å; I140-A197 WeakPolarHBondContact CA-O 3.25Å
141	M	90.6	Very high	83.4	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.059	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-95	107.3	167.8	-161.1	-178.1	-55.9	0	0	109.1	L123 R129 L130 K144 P196 A197	L123-M141 HydrophobicContact CD1-CE 4.06Å; L123-M141 HydrophobicContact CD2-CE 3.57Å; R129-M141 HydrophobicContact CB-CE 3.98Å; R129-M141 HydrophobicContact CB-CG 4.3Å; R129-M141 HydrophobicContact CB-SD 4.38Å; L130-M141 HydrophobicContact CD2-CB 4.14Å; M141-K144 HydrophobicContact CG-CB 4.22Å; M141-K144 HydrophobicContact SD-CB 3.95Å; M141-K144 HydrophobicContact SD-CG 4.37Å; M141-P196 WeakPolarHBondContact O-CB 3.31Å; M141-A197 HydrophobicContact CB-CB 3.87Å; M141-A197 PolarHBondContact N-O 2.93Å
142	P	82.9	Confident	82.8	Confident	60 Å²	60	45 Å²	45	39%	0.39	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	150.8	-177.4	28.8	-34.5	0	0	0	111.2	V131 I140 K144	V131-P142 HydrophobicContact CG2-CG 4.11Å; I140-P142 WeakPolarHBondContact O-CD 3.41Å; P142-K144 PolarHBondContact O-N 2.95Å
143	N	86.2	Confident	82.7	Confident	116 Å²	116	40.7 Å²	40.7	62%	0.62	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	18	177.6	-53.7	-36.4	0	0	0	115.1
144	K	92	Very high	82.8	Confident	90 Å²	90	47.6 Å²	47.6	39%	0.391	25%	0.245	S	C	.	.			trans	-141.5	138.8	175.6	-78.4	-56.1	-172.5	-169.2	0	112.8	M141 P142 D171 A197	M141-K144 HydrophobicContact CG-CB 4.22Å; M141-K144 HydrophobicContact SD-CB 3.95Å; M141-K144 HydrophobicContact SD-CG 4.37Å; P142-K144 PolarHBondContact O-N 2.95Å; K144-D171 WeakPolarHBondContact CD-OD2 3.29Å; K144-D171 WeakPolarHBondContact CE-OD2 3.34Å; K144-D171 IonicContact NZ-OD2 2.85Å; K144-D171 PolarHBondContact NZ-OD2 2.53Å; K144-A197 PolarHBondContact O-N 2.98Å
145	S	94.2	Very high	83.2	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.007	23%	0.228	C	C	.	.			trans	-83.7	157.1	165.2	64.8	0	0	0	0	111.7	N118 D171 R193 V194	N118-S145 PolarHBondContact ND2-O 3.42Å; S145-D171 VanDerWaalsContact CB-OD1 3.25Å; S145-D171 WeakPolarHBondContact CB-OD1 3.46Å; S145-D171 PolarHBondContact N-OD1 2.88Å; S145-D171 PolarHBondContact OG-OD1 2.74Å; S145-R193 WeakPolarHBondContact OG-CD 3.14Å; S145-R193 WeakPolarHBondContact OG-CG 3.25Å; S145-R193 PolarHBondContact OG-NH1 3.4Å; S145-V194 CarbonylContact C-O 3.57Å; S145-V194 WeakPolarHBondContact CA-O 3.48Å; S145-V194 WeakPolarHBondContact CB-O 3.35Å
146	G	93.7	Very high	83.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	160.6	165.1	0	0	0	0	0	110.5	N118 R193 V194 A197	N118-G146 CarbonylContact O-C 3.53Å; N118-G146 WeakPolarHBondContact O-CA 3.32Å; G146-R193 CarbonylContact O-C 3.6Å; G146-R193 VanDerWaalsContact O-CA 3.29Å; G146-R193 WeakPolarHBondContact O-CA 3.35Å; G146-V194 PolarHBondContact N-O 3.39Å; G146-V194 PolarHBondContact O-N 2.62Å; G146-A197 VanDerWaalsContact N-CB 3.28Å
147	V	94.4	Very high	84.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.7	-179.1	179.6	0	0	0	0	110	Y117 N118 D119 L120 L164 I191 L192 R193	Y117-V147 HydrophobicContact CD2-CB 3.76Å; Y117-V147 HydrophobicContact CD2-CG1 4.31Å; Y117-V147 HydrophobicContact CD2-CG2 4.27Å; Y117-V147 HydrophobicContact CE2-CB 4.35Å; Y117-V147 HydrophobicContact CG-CB 4.39Å; Y117-V147 HydrophobicContact CG-CG2 4.46Å; N118-V147 PolarHBondContact O-N 2.59Å; D119-V147 CarbonylContact C-O 3.49Å; D119-V147 WeakPolarHBondContact CA-O 3.46Å; L120-V147 PolarHBondContact N-O 3.16Å; V147-L164 HydrophobicContact CG1-CD2 3.77Å; V147-I191 HydrophobicContact CG1-CG2 3.72Å; V147-L192 CarbonylContact C-O 3.53Å; V147-L192 VanDerWaalsContact CA-O 3.24Å; V147-L192 WeakPolarHBondContact CA-O 3.32Å; V147-R193 HydrophobicContact CG2-CB 4.15Å; V147-R193 HydrophobicContact CG2-CG 3.99Å
148	H	91.9	Very high	85	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142	162.5	178.4	-74.9	0	0	0	109.6	L120 L192 W200 D206 F208	L120-H148 HydrophobicContact CD1-CB 4.15Å; H148-L192 HydrophobicContact CB-CB 4.25Å; H148-L192 PolarHBondContact N-O 3.13Å; H148-L192 PolarHBondContact O-N 2.78Å; H148-W200 AromaticContact CD2-CD1 3.94Å; H148-W200 AromaticContact CD2-CD2 3.88Å; H148-W200 AromaticContact CD2-CE2 3.33Å; H148-W200 AromaticContact CD2-CZ2 3.6Å; H148-W200 AromaticContact CD2-NE1 3.37Å; H148-W200 PolarHBondContact CD2-NE1 3.27Å; H148-W200 AromaticContact NE2-CE2 3.85Å; H148-W200 AromaticContact NE2-NE1 3.56Å; H148-D206 IonicContact CD2-OD2 2.78Å; H148-D206 PolarHBondContact CD2-OD2 2.57Å; H148-D206 IonicContact CE1-OD2 2.9Å; H148-D206 IonicContact NE2-OD1 3.05Å; H148-D206 IonicContact NE2-OD2 2.99Å; H148-D206 PolarHBondContact NE2-OD2 3.23Å; H148-F208 AromaticContact CE1-CD1 3.55Å; H148-F208 PolarHBondContact CE1-O 3.29Å; H148-F208 AromaticContact ND1-CD1 3.73Å; H148-F208 AromaticContact NE2-CD1 3.98Å
149	L	89.8	Confident	85.6	Confident	8 Å²	8	46 Å²	46	4%	0.042	24%	0.242	C	C	.	.			trans	-130.4	112.8	177.5	-150.8	98.5	0	0	0	109.2	R121 V153 N155 V160 L164 I191	R121-L149 VanDerWaalsContact CZ-O 3.22Å; R121-L149 PolarHBondContact NH1-O 2.96Å; R121-L149 PolarHBondContact NH2-O 3.09Å; L149-V153 HydrophobicContact CD2-CG1 4.35Å; L149-V153 WeakPolarHBondContact CD2-O 3.4Å; L149-V153 HydrophobicContact CG-CB 4.46Å; L149-V153 HydrophobicContact CG-CG1 4.2Å; L149-N155 HydrophobicContact CD2-CB 3.85Å; L149-V160 HydrophobicContact CD1-CG1 4.01Å; L149-L164 HydrophobicContact CD1-CD1 4.31Å; L149-L164 HydrophobicContact CD1-CD2 4.18Å; L149-I191 HydrophobicContact CD1-CG1 3.82Å
150	P	85.8	Confident	85.8	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.026	23%	0.23	C	C	.	.			trans	-57.3	147	-179	-26.1	34.5	0	0	0	112.3	E152 V153 G190 F208 D209	P150-E152 PolarHBondContact O-N 3.32Å; P150-E152 VanDerWaalsContact O-N 3.16Å; P150-V153 HydrophobicContact CB-CB 4.44Å; P150-V153 HydrophobicContact CB-CG2 3.95Å; P150-V153 HydrophobicContact CG-CG2 4.05Å; P150-V153 WeakPolarHBondContact O-CB 3.32Å; P150-V153 PolarHBondContact O-N 3Å; P150-G190 WeakPolarHBondContact CD-O 3.41Å; P150-G190 VanDerWaalsContact CG-O 3.29Å; P150-G190 WeakPolarHBondContact CG-O 3.03Å; P150-F208 WeakPolarHBondContact CB-O 3.41Å; P150-F208 WeakPolarHBondContact CG-O 3.33Å; P150-D209 HydrophobicContact CB-CB 4.17Å; P150-D209 HydrophobicContact CG-CB 4.08Å
151	V	83	Confident	85.9	Confident	95 Å²	95	43.6 Å²	43.6	58%	0.576	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.5	-178.8	176.1	0	0	0	0	112.3	V153 D206	V151-V153 VanDerWaalsContact C-N 3.29Å; V151-V153 PolarHBondContact O-N 3.43Å; V151-D206 VanDerWaalsContact CG2-O 3.22Å; V151-D206 WeakPolarHBondContact CG2-O 3.34Å
152	E	76	Confident	85.9	Confident	77 Å²	77	43.2 Å²	43.2	36%	0.36	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.2	174.6	-65.6	-179.6	-129	0	0	114.3	P150 R212 S412	P150-E152 PolarHBondContact O-N 3.32Å; P150-E152 VanDerWaalsContact O-N 3.16Å; E152-R212 IonicContact OE1-CZ 2.77Å; E152-R212 IonicContact OE1-NH1 2.74Å; E152-R212 PolarHBondContact OE1-NH1 3.45Å; E152-R212 IonicContact OE1-NH2 3.3Å; E152-R212 PolarHBondContact OE1-NH2 3.49Å; E152-R212 IonicContact OE2-CZ 3.26Å; E152-R212 IonicContact OE2-NH2 2.71Å; E152-R212 PolarHBondContact OE2-NH2 3.15Å; E152-S412 WeakPolarHBondContact OE2-CB 3.16Å; E152-S412 PolarHBondContact OE2-OG 2.91Å
153	V	79.7	Confident	86.3	Confident	14 Å²	14	40.7 Å²	40.7	9%	0.085	21%	0.213	C	C	.	.	S	Bend	trans	-100.1	106.1	-177.6	175.6	0	0	0	0	110.3	L149 P150 V151 N155 V160	L149-V153 HydrophobicContact CD2-CG1 4.35Å; L149-V153 WeakPolarHBondContact CD2-O 3.4Å; L149-V153 HydrophobicContact CG-CB 4.46Å; L149-V153 HydrophobicContact CG-CG1 4.2Å; P150-V153 HydrophobicContact CB-CB 4.44Å; P150-V153 HydrophobicContact CB-CG2 3.95Å; P150-V153 HydrophobicContact CG-CG2 4.05Å; P150-V153 WeakPolarHBondContact O-CB 3.32Å; P150-V153 PolarHBondContact O-N 3Å; V151-V153 VanDerWaalsContact C-N 3.29Å; V151-V153 PolarHBondContact O-N 3.43Å; V153-N155 PolarHBondContact O-N 3.18Å; V153-V160 HydrophobicContact CG1-CB 4.41Å; V153-V160 HydrophobicContact CG1-CG1 3.88Å; V153-V160 HydrophobicContact CG1-CG2 3.57Å
154	Y	78.9	Confident	86.6	Confident	168 Å²	168	35.5 Å²	35.5	66%	0.659	19%	0.185	S	C	*	.			trans	-69.7	115.7	178.6	-179	-125	0	0	0	111.9	G156 D157	Y154-G156 PolarHBondContact O-N 3.33Å; Y154-G156 VanDerWaalsContact O-N 3.12Å; Y154-D157 WeakPolarHBondContact O-CB 3.38Å; Y154-D157 PolarHBondContact O-N 2.98Å
155	N	76.9	Confident	86.6	Confident	80 Å²	80	36.2 Å²	36.2	43%	0.428	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.9	179.8	65.4	-5.9	0	0	0	114.7	L149 V153	L149-N155 HydrophobicContact CD2-CB 3.85Å; V153-N155 PolarHBondContact O-N 3.18Å
156	G	78.2	Confident	86.5	Confident	20 Å²	20	37.4 Å²	37.4	21%	0.206	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.5	174.3	0	0	0	0	0	115.4	Y154 S158 F161	Y154-G156 PolarHBondContact O-N 3.33Å; Y154-G156 VanDerWaalsContact O-N 3.12Å; G156-S158 PolarHBondContact O-N 2.89Å; G156-F161 WeakPolarHBondContact O-CE1 3.4Å
157	D	82.2	Confident	86.5	Confident	51 Å²	51	37.4 Å²	37.4	27%	0.273	19%	0.19	S	C	.	.	S	Bend	trans	-66.5	127.5	168.7	179.5	-24.4	0	0	0	109.1	Y154 T159 V160 F161	Y154-D157 WeakPolarHBondContact O-CB 3.38Å; Y154-D157 PolarHBondContact O-N 2.98Å; D157-T159 PolarHBondContact O-N 3.38Å; D157-T159 VanDerWaalsContact O-N 3.17Å; D157-T159 WeakPolarHBondContact OD1-CA 3.33Å; D157-T159 WeakPolarHBondContact OD1-CB 3.39Å; D157-T159 PolarHBondContact OD1-N 3.05Å; D157-T159 PolarHBondContact OD1-OG1 2.59Å; D157-V160 HydrophobicContact CB-CB 4.14Å; D157-V160 HydrophobicContact CB-CG2 3.79Å; D157-V160 WeakPolarHBondContact O-CA 3.5Å; D157-V160 WeakPolarHBondContact O-CB 3.36Å; D157-V160 PolarHBondContact O-N 3.03Å; D157-F161 WeakPolarHBondContact O-CD1 3.32Å; D157-F161 PolarHBondContact O-N 3.45Å
158	S	85.7	Confident	86.4	Confident	53 Å²	53	40.1 Å²	40.1	37%	0.371	21%	0.205	S	C	.	.	H	α-helix	trans	-57.2	-30.8	179.6	49.7	0	0	0	0	113.5	G156 F161 H162	G156-S158 PolarHBondContact O-N 2.89Å; S158-F161 VanDerWaalsContact CA-CE1 3.47Å; S158-H162 WeakPolarHBondContact O-CB 3.38Å; S158-H162 PolarHBondContact O-N 2.85Å
159	T	85.2	Confident	86.4	Confident	42 Å²	42	42 Å²	42	26%	0.258	22%	0.216	S	C	.	.	H	α-helix	trans	-66.6	-41.1	174.6	-31.9	0	0	0	0	111.2	D157 T163 F188 T189	D157-T159 PolarHBondContact O-N 3.38Å; D157-T159 VanDerWaalsContact O-N 3.17Å; D157-T159 WeakPolarHBondContact OD1-CA 3.33Å; D157-T159 WeakPolarHBondContact OD1-CB 3.39Å; D157-T159 PolarHBondContact OD1-N 3.05Å; D157-T159 PolarHBondContact OD1-OG1 2.59Å; T159-T163 WeakPolarHBondContact O-CB 3.41Å; T159-T163 PolarHBondContact O-N 3.47Å; T159-T163 VanDerWaalsContact O-N 3.12Å; T159-T163 PolarHBondContact O-OG1 3.21Å; T159-T163 VanDerWaalsContact O-OG1 3.06Å; T159-F188 HydrophobicContact CG2-CZ 4.25Å; T159-T189 HydrophobicContact CG2-CG2 3.96Å
160	V	88.1	Confident	86.6	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-70.4	-52.9	-179.4	176.2	0	0	0	0	109.6	L149 V153 D157 H162 T163 L164 I191	L149-V160 HydrophobicContact CD1-CG1 4.01Å; V153-V160 HydrophobicContact CG1-CB 4.41Å; V153-V160 HydrophobicContact CG1-CG1 3.88Å; V153-V160 HydrophobicContact CG1-CG2 3.57Å; D157-V160 HydrophobicContact CB-CB 4.14Å; D157-V160 HydrophobicContact CB-CG2 3.79Å; D157-V160 WeakPolarHBondContact O-CA 3.5Å; D157-V160 WeakPolarHBondContact O-CB 3.36Å; D157-V160 PolarHBondContact O-N 3.03Å; V160-H162 PolarHBondContact O-N 3.4Å; V160-T163 PolarHBondContact O-N 3.04Å; V160-T163 VanDerWaalsContact O-N 3.12Å; V160-L164 HydrophobicContact CG1-CD1 4.47Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 2.67Å; V160-I191 HydrophobicContact CG1-CD1 4.04Å; V160-I191 HydrophobicContact CG1-CG1 4.39Å; V160-I191 WeakPolarHBondContact O-CD1 3.34Å
161	F	87.9	Confident	87	Confident	18 Å²	18	42.3 Å²	42.3	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-72.6	-26.2	-177.1	73.1	-116.2	0	0	0	113.4	L110 P112 I115 G156 D157 S158 R165	L110-F161 HydrophobicContact CB-CE2 4.07Å; L110-F161 HydrophobicContact CD2-CD2 4.39Å; L110-F161 HydrophobicContact CG-CD2 4.41Å; L110-F161 HydrophobicContact CG-CE2 4.35Å; L110-F161 WeakPolarHBondContact O-CE2 3.31Å; L110-F161 WeakPolarHBondContact O-CZ 3.16Å; P112-F161 HydrophobicContact CB-CD1 4.27Å; I115-F161 HydrophobicContact CD1-CB 3.67Å; I115-F161 HydrophobicContact CD1-CD2 3.91Å; I115-F161 HydrophobicContact CD1-CG 4.2Å; I115-F161 WeakPolarHBondContact CD1-O 3.26Å; G156-F161 WeakPolarHBondContact O-CE1 3.4Å; D157-F161 WeakPolarHBondContact O-CD1 3.32Å; D157-F161 PolarHBondContact O-N 3.45Å; S158-F161 VanDerWaalsContact CA-CE1 3.47Å; F161-R165 WeakPolarHBondContact O-CB 3.27Å; F161-R165 PolarHBondContact O-N 2.9Å
162	H	91.2	Very high	87.4	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.019	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-38.6	166.6	-75.5	-172.7	0	0	0	112.6	Y104 W106 N107 S158 V160 R165 W166	Y104-H162 HydrophobicContact CE1-CB 4.37Å; W106-H162 AromaticContact CD1-CE1 3.89Å; W106-H162 AromaticContact CD2-CE1 3.49Å; W106-H162 VanDerWaalsContact CD2-CE1 3.49Å; W106-H162 AromaticContact CD2-ND1 3.08Å; W106-H162 AromaticContact CE2-CE1 3.34Å; W106-H162 AromaticContact CE2-ND1 3.19Å; W106-H162 HydrophobicContact CE3-CB 4.35Å; W106-H162 AromaticContact CE3-CE1 3.98Å; W106-H162 AromaticContact CE3-ND1 3.09Å; W106-H162 AromaticContact CG-CE1 3.83Å; W106-H162 AromaticContact CG-ND1 3.81Å; W106-H162 HydrophobicContact CH2-CB 4.29Å; W106-H162 AromaticContact CH2-ND1 3.35Å; W106-H162 VanDerWaalsContact CH2-ND1 3.35Å; W106-H162 WeakPolarHBondContact CH2-ND1 3.49Å; W106-H162 AromaticContact CZ2-CE1 3.71Å; W106-H162 AromaticContact CZ2-ND1 3.34Å; W106-H162 VanDerWaalsContact CZ2-ND1 3.34Å; W106-H162 WeakPolarHBondContact CZ2-ND1 3.44Å; W106-H162 HydrophobicContact CZ3-CB 3.93Å; W106-H162 AromaticContact CZ3-CG 3.93Å; W106-H162 AromaticContact CZ3-ND1 3.22Å; W106-H162 WeakPolarHBondContact CZ3-ND1 3.31Å; W106-H162 AromaticContact NE1-CE1 3.6Å; W106-H162 AromaticContact NE1-ND1 3.93Å; N107-H162 PolarHBondContact O-CE1 2.93Å; N107-H162 PolarHBondContact O-NE2 3.27Å; N107-H162 VanDerWaalsContact O-NE2 3.16Å; S158-H162 WeakPolarHBondContact O-CB 3.38Å; S158-H162 PolarHBondContact O-N 2.85Å; V160-H162 PolarHBondContact O-N 3.4Å; H162-R165 PolarHBondContact O-N 3.48Å; H162-W166 PolarHBondContact O-N 3.47Å
163	T	91.4	Very high	88.2	Confident	8 Å²	8	38.6 Å²	38.6	5%	0.049	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-40.1	174.3	-64.6	0	0	0	0	112.5	T159 V160 R165 W166 T167 I191	T159-T163 WeakPolarHBondContact O-CB 3.41Å; T159-T163 PolarHBondContact O-N 3.47Å; T159-T163 VanDerWaalsContact O-N 3.12Å; T159-T163 PolarHBondContact O-OG1 3.21Å; T159-T163 VanDerWaalsContact O-OG1 3.06Å; V160-T163 PolarHBondContact O-N 3.04Å; V160-T163 VanDerWaalsContact O-N 3.12Å; T163-R165 VanDerWaalsContact C-N 3.27Å; T163-R165 PolarHBondContact O-N 2.92Å; T163-W166 HydrophobicContact CG2-CZ2 4.28Å; T163-W166 PolarHBondContact O-N 3.16Å; T163-T167 HydrophobicContact CG2-CG2 3.99Å; T163-T167 WeakPolarHBondContact O-CB 3.45Å; T163-T167 VanDerWaalsContact O-CG2 3.23Å; T163-T167 WeakPolarHBondContact O-CG2 3.41Å; T163-T167 PolarHBondContact O-N 3.47Å; T163-T167 PolarHBondContact O-OG1 3.09Å; T163-I191 HydrophobicContact CG2-CD1 3.6Å
164	L	92.6	Very high	88.8	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-40.4	169.6	-66.9	174.4	0	0	0	111.7	I115 Y117 V147 L149 V160 T167 I191 R193	I115-L164 HydrophobicContact CG2-CB 3.83Å; Y117-L164 HydrophobicContact CD1-CD1 4.15Å; Y117-L164 HydrophobicContact CD1-CD2 4.45Å; Y117-L164 HydrophobicContact CE1-CD1 3.87Å; V147-L164 HydrophobicContact CG1-CD2 3.77Å; L149-L164 HydrophobicContact CD1-CD1 4.31Å; L149-L164 HydrophobicContact CD1-CD2 4.18Å; V160-L164 HydrophobicContact CG1-CD1 4.47Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 2.67Å; L164-T167 PolarHBondContact O-OG1 3.39Å; L164-I191 HydrophobicContact CD2-CD1 3.94Å; L164-I191 HydrophobicContact CD2-CG1 4.38Å; L164-I191 HydrophobicContact CD2-CG2 4Å; L164-I191 HydrophobicContact CG-CD1 3.92Å; L164-R193 PolarHBondContact O-NH2 2.95Å
165	R	91.9	Very high	89.3	Confident	106 Å²	106	32.6 Å²	32.6	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-70	-41.4	-179.4	-178.6	66.5	-156	112.5	-15.7	113.8	Y104 L110 I115 F161 H162 T163 D168	Y104-R165 HydrophobicContact CE2-CG 4.11Å; L110-R165 HydrophobicContact CD2-CB 3.84Å; L110-R165 HydrophobicContact CD2-CG 3.76Å; I115-R165 HydrophobicContact CD1-CB 4.23Å; I115-R165 HydrophobicContact CG1-CB 4.25Å; F161-R165 WeakPolarHBondContact O-CB 3.27Å; F161-R165 PolarHBondContact O-N 2.9Å; H162-R165 PolarHBondContact O-N 3.48Å; T163-R165 VanDerWaalsContact C-N 3.27Å; T163-R165 PolarHBondContact O-N 2.92Å; R165-D168 IonicContact CZ-OD2 3.74Å; R165-D168 VanDerWaalsContact NH1-CB 3.32Å; R165-D168 IonicContact NH1-OD2 3.62Å; R165-D168 PolarHBondContact NH1-OD2 3.45Å; R165-D168 IonicContact NH2-OD2 3.96Å; R165-D168 VanDerWaalsContact O-CB 3.26Å; R165-D168 WeakPolarHBondContact O-CB 3.45Å
166	W	91	Very high	90	Very high	25 Å²	25	31.9 Å²	31.9	10%	0.095	18%	0.183	C	C	.	.	H	α-helix	trans	-79.2	-37.7	-179.2	78.6	-113.1	0	0	0	112	T97 V101 Y104 H162 T163 D168 V169 F185	T97-W166 HydrophobicContact CG2-CH2 4.41Å; T97-W166 HydrophobicContact CG2-CZ3 4.04Å; V101-W166 HydrophobicContact CG2-CD2 3.83Å; V101-W166 HydrophobicContact CG2-CE3 3.4Å; V101-W166 VanDerWaalsContact CG2-CE3 3.4Å; V101-W166 HydrophobicContact CG2-CH2 3.68Å; V101-W166 HydrophobicContact CG2-CZ2 4.06Å; V101-W166 HydrophobicContact CG2-CZ3 3.33Å; Y104-W166 HydrophobicContact CD1-CB 4.29Å; Y104-W166 HydrophobicContact CD2-CB 3.53Å; Y104-W166 HydrophobicContact CE2-CB 3.82Å; Y104-W166 HydrophobicContact CG-CB 3.78Å; H162-W166 PolarHBondContact O-N 3.47Å; T163-W166 HydrophobicContact CG2-CZ2 4.28Å; T163-W166 PolarHBondContact O-N 3.16Å; W166-D168 PolarHBondContact O-N 3.16Å; W166-V169 WeakPolarHBondContact O-CG1 3.33Å; W166-V169 PolarHBondContact O-N 3.45Å; W166-F185 HydrophobicContact CH2-CD1 4.19Å; W166-F185 AromaticContact CH2-CE1 3.43Å; W166-F185 HydrophobicContact CH2-CE1 3.43Å; W166-F185 VanDerWaalsContact CH2-CE1 3.43Å; W166-F185 HydrophobicContact CH2-CE2 4.3Å; W166-F185 AromaticContact CH2-CZ 3.51Å; W166-F185 HydrophobicContact CH2-CZ 3.51Å; W166-F185 AromaticContact CZ2-CE1 3.73Å; W166-F185 HydrophobicContact CZ2-CE1 3.73Å; W166-F185 AromaticContact CZ2-CZ 3.88Å; W166-F185 HydrophobicContact CZ2-CZ 3.88Å; W166-F185 HydrophobicContact CZ3-CE1 4.44Å
167	T	94.1	Very high	90.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-11.7	176.5	57.9	0	0	0	0	113.6	T163 L164 V169 L170 F185 R193	T163-T167 HydrophobicContact CG2-CG2 3.99Å; T163-T167 WeakPolarHBondContact O-CB 3.45Å; T163-T167 VanDerWaalsContact O-CG2 3.23Å; T163-T167 WeakPolarHBondContact O-CG2 3.41Å; T163-T167 PolarHBondContact O-N 3.47Å; T163-T167 PolarHBondContact O-OG1 3.09Å; L164-T167 PolarHBondContact O-OG1 3.39Å; T167-V169 PolarHBondContact O-N 3.17Å; T167-L170 HydrophobicContact CG2-CD1 4.16Å; T167-L170 VanDerWaalsContact O-CB 3.24Å; T167-L170 WeakPolarHBondContact O-CB 3.34Å; T167-L170 WeakPolarHBondContact O-CG 3.46Å; T167-L170 PolarHBondContact O-N 3.08Å; T167-F185 HydrophobicContact CG2-CD1 3.73Å; T167-F185 HydrophobicContact CG2-CE1 3.79Å; T167-R193 WeakPolarHBondContact O-CD 3.32Å; T167-R193 PolarHBondContact O-NE 3.39Å; T167-R193 PolarHBondContact OG1-NE 3.05Å; T167-R193 PolarHBondContact OG1-NH2 2.87Å
168	D	92.1	Very high	90.4	Very high	57 Å²	57	35.3 Å²	35.3	31%	0.305	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-56.8	-28.9	171.9	-167.3	51.3	0	0	0	113	R165 W166 L170 D171	R165-D168 IonicContact CZ-OD2 3.74Å; R165-D168 VanDerWaalsContact NH1-CB 3.32Å; R165-D168 IonicContact NH1-OD2 3.62Å; R165-D168 PolarHBondContact NH1-OD2 3.45Å; R165-D168 IonicContact NH2-OD2 3.96Å; R165-D168 VanDerWaalsContact O-CB 3.26Å; R165-D168 WeakPolarHBondContact O-CB 3.45Å; W166-D168 PolarHBondContact O-N 3.16Å; D168-L170 PolarHBondContact O-N 3.4Å; D168-D171 PolarHBondContact O-N 2.89Å
169	V	93.3	Very high	90.2	Very high	41 Å²	41	35.4 Å²	35.4	25%	0.248	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-65.2	-24.9	175.5	78.2	0	0	0	0	112.6	E100 W166 T167 D171 S172 I173	E100-V169 HydrophobicContact CB-CG1 4.02Å; E100-V169 HydrophobicContact CG-CG1 4.34Å; E100-V169 HydrophobicContact CG-CG2 4.08Å; W166-V169 WeakPolarHBondContact O-CG1 3.33Å; W166-V169 PolarHBondContact O-N 3.45Å; T167-V169 PolarHBondContact O-N 3.17Å; V169-D171 PolarHBondContact O-N 2.8Å; V169-S172 PolarHBondContact O-N 2.89Å; V169-S172 PolarHBondContact O-OG 2.71Å; V169-I173 HydrophobicContact CG1-CD1 4.14Å; V169-I173 HydrophobicContact CG2-CD1 4.31Å
170	L	94.5	Very high	90.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-65.4	-24.9	-175.8	-58.3	179.3	0	0	0	112.8	T97 T167 D168 S172 I173 F174 F185 M478	T97-L170 HydrophobicContact CG2-CD2 3.93Å; T97-L170 WeakPolarHBondContact OG1-CD2 3.09Å; T167-L170 HydrophobicContact CG2-CD1 4.16Å; T167-L170 VanDerWaalsContact O-CB 3.24Å; T167-L170 WeakPolarHBondContact O-CB 3.34Å; T167-L170 WeakPolarHBondContact O-CG 3.46Å; T167-L170 PolarHBondContact O-N 3.08Å; D168-L170 PolarHBondContact O-N 3.4Å; L170-S172 PolarHBondContact O-N 2.99Å; L170-S172 VanDerWaalsContact O-N 3.11Å; L170-I173 HydrophobicContact CD2-CD1 4.36Å; L170-I173 PolarHBondContact O-N 2.81Å; L170-F174 HydrophobicContact CB-CD2 3.97Å; L170-F174 HydrophobicContact CB-CE1 4.24Å; L170-F174 HydrophobicContact CB-CE2 3.52Å; L170-F174 HydrophobicContact CB-CZ 3.68Å; L170-F174 HydrophobicContact CD1-CE1 4.48Å; L170-F174 HydrophobicContact CD1-CE2 4.4Å; L170-F174 HydrophobicContact CD1-CZ 3.85Å; L170-F174 HydrophobicContact CG-CZ 4.3Å; L170-F174 WeakPolarHBondContact O-CD2 3.47Å; L170-F174 WeakPolarHBondContact O-CG 3.28Å; L170-F174 PolarHBondContact O-N 2.84Å; L170-F185 HydrophobicContact CD1-CB 3.76Å; L170-F185 HydrophobicContact CD1-CD1 4.13Å; L170-F185 HydrophobicContact CD1-CG 4Å; L170-M478 HydrophobicContact CD2-CE 4.32Å
171	D	92.8	Very high	89.8	Confident	19 Å²	19	35.5 Å²	35.5	10%	0.102	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-54.5	-27.7	169.6	-92.8	2	0	0	0	113.1	K144 S145 D168 V169 P175 R193	K144-D171 WeakPolarHBondContact CD-OD2 3.29Å; K144-D171 WeakPolarHBondContact CE-OD2 3.34Å; K144-D171 IonicContact NZ-OD2 2.85Å; K144-D171 PolarHBondContact NZ-OD2 2.53Å; S145-D171 VanDerWaalsContact CB-OD1 3.25Å; S145-D171 WeakPolarHBondContact CB-OD1 3.46Å; S145-D171 PolarHBondContact N-OD1 2.88Å; S145-D171 PolarHBondContact OG-OD1 2.74Å; D168-D171 PolarHBondContact O-N 2.89Å; V169-D171 PolarHBondContact O-N 2.8Å; D171-P175 WeakPolarHBondContact O-CD 3.34Å; D171-P175 WeakPolarHBondContact O-CG 3.5Å; D171-R193 IonicContact OD1-NH1 2.68Å
172	S	92.2	Very high	89.7	Confident	81 Å²	81	34.7 Å²	34.7	57%	0.566	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-96.5	-9.6	178	68.3	0	0	0	0	114.2	V169 L170	V169-S172 PolarHBondContact O-N 2.89Å; V169-S172 PolarHBondContact O-OG 2.71Å; L170-S172 PolarHBondContact O-N 2.99Å; L170-S172 VanDerWaalsContact O-N 3.11Å
173	I	92.9	Very high	89.7	Confident	13 Å²	13	34.7 Å²	34.7	7%	0.067	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-42	-175.8	-64.1	178.8	0	0	0	110.8	L93 W96 E100 V169 L170 P175 T176	L93-I173 HydrophobicContact CD2-CG2 3.75Å; L93-I173 VanDerWaalsContact CD2-O 3.3Å; L93-I173 WeakPolarHBondContact CD2-O 3.5Å; W96-I173 HydrophobicContact CB-CG2 4.46Å; W96-I173 HydrophobicContact CE3-CG2 4.38Å; E100-I173 HydrophobicContact CG-CD1 3.96Å; V169-I173 HydrophobicContact CG1-CD1 4.14Å; V169-I173 HydrophobicContact CG2-CD1 4.31Å; L170-I173 HydrophobicContact CD2-CD1 4.36Å; L170-I173 PolarHBondContact O-N 2.81Å; I173-P175 VanDerWaalsContact C-CD 3.43Å; I173-T176 PolarHBondContact O-N 2.87Å; I173-T176 PolarHBondContact O-OG1 3.26Å
174	F	92.3	Very high	89.8	Confident	3 Å²	3	34.3 Å²	34.3	1%	0.013	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-55.7	-39.3	176.9	-60.5	-45.8	0	0	0	114.9	L93 L170 T176 T183 F185 R193 Y195 M478	L93-F174 HydrophobicContact CD1-CD1 4.43Å; L170-F174 HydrophobicContact CB-CD2 3.97Å; L170-F174 HydrophobicContact CB-CE1 4.24Å; L170-F174 HydrophobicContact CB-CE2 3.52Å; L170-F174 HydrophobicContact CB-CZ 3.68Å; L170-F174 HydrophobicContact CD1-CE1 4.48Å; L170-F174 HydrophobicContact CD1-CE2 4.4Å; L170-F174 HydrophobicContact CD1-CZ 3.85Å; L170-F174 HydrophobicContact CG-CZ 4.3Å; L170-F174 WeakPolarHBondContact O-CD2 3.47Å; L170-F174 WeakPolarHBondContact O-CG 3.28Å; L170-F174 PolarHBondContact O-N 2.84Å; F174-T176 PolarHBondContact O-N 2.89Å; F174-T183 HydrophobicContact CD1-CG2 3.43Å; F174-T183 VanDerWaalsContact CD1-CG2 3.43Å; F174-T183 HydrophobicContact CE1-CG2 3.61Å; F174-T183 HydrophobicContact CG-CG2 4.38Å; F174-F185 HydrophobicContact CZ-CB 4.3Å; F174-R193 HydrophobicContact CE2-CG 4.29Å; F174-Y195 HydrophobicContact CB-CD1 3.65Å; F174-Y195 HydrophobicContact CB-CD2 4.06Å; F174-Y195 HydrophobicContact CB-CE1 4.26Å; F174-Y195 HydrophobicContact CB-CG 3.55Å; F174-Y195 HydrophobicContact CD2-CD2 4.22Å; F174-Y195 AromaticContact CD2-CG 3.88Å; F174-Y195 HydrophobicContact CD2-CG 3.88Å; F174-Y195 HydrophobicContact CG-CD1 4.48Å; F174-Y195 HydrophobicContact CG-CG 4.05Å; F174-M478 HydrophobicContact CE1-CE 4.43Å; F174-M478 HydrophobicContact CE1-SD 3.69Å; F174-M478 HydrophobicContact CZ-SD 4.4Å
175	P	89.8	Confident	89.9	Confident	53 Å²	53	34.1 Å²	34.1	34%	0.344	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-72.3	-5.9	-177.4	-16.7	31.1	0	0	0	115.3	D171 I173 Y195	D171-P175 WeakPolarHBondContact O-CD 3.34Å; D171-P175 WeakPolarHBondContact O-CG 3.5Å; I173-P175 VanDerWaalsContact C-CD 3.43Å; P175-Y195 HydrophobicContact CG-CE2 3.98Å
176	T	90.3	Very high	89.9	Confident	64 Å²	64	29 Å²	29	39%	0.393	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-82.9	-17.7	-174.1	64.9	0	0	0	0	114	W96 I173 F174 P178	W96-T176 HydrophobicContact CZ3-CG2 4.11Å; W96-T176 VanDerWaalsContact CZ3-OG1 3.29Å; W96-T176 WeakPolarHBondContact CZ3-OG1 2.87Å; I173-T176 PolarHBondContact O-N 2.87Å; I173-T176 PolarHBondContact O-OG1 3.26Å; F174-T176 PolarHBondContact O-N 2.89Å; T176-P178 VanDerWaalsContact O-CD 3.29Å; T176-P178 WeakPolarHBondContact O-CD 3.08Å
177	E	88.9	Confident	89.9	Confident	30 Å²	30	27.9 Å²	27.9	14%	0.14	17%	0.166	C	C	.	.			trans	-115.6	80.5	-176.4	-72.6	-70.7	172.1	0	0	109.3	S89 T92 L93 N179 L180	S89-E177 WeakPolarHBondContact CB-OE2 3.48Å; S89-E177 PolarHBondContact OG-OE2 2.93Å; T92-E177 VanDerWaalsContact CB-OE1 3.23Å; T92-E177 WeakPolarHBondContact CB-OE1 3.29Å; T92-E177 VanDerWaalsContact CG2-OE1 3.29Å; T92-E177 WeakPolarHBondContact CG2-OE1 2.92Å; T92-E177 PolarHBondContact OG1-OE1 3.42Å; L93-E177 HydrophobicContact CD2-CB 4.12Å; L93-E177 HydrophobicContact CD2-CG 3.79Å; L93-E177 HydrophobicContact CG-CB 4.34Å; L93-E177 HydrophobicContact CG-CG 4.03Å; E177-N179 PolarHBondContact O-N 3.03Å; E177-L180 HydrophobicContact CB-CD1 3.71Å; E177-L180 HydrophobicContact CB-CG 4.23Å; E177-L180 PolarHBondContact O-N 2.79Å
178	P	80.5	Confident	89.4	Confident	113 Å²	113	30.2 Å²	30.2	73%	0.734	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.8	-173.6	30.2	-37.8	0	0	0	113.9	T176 L180	T176-P178 VanDerWaalsContact O-CD 3.29Å; T176-P178 WeakPolarHBondContact O-CD 3.08Å; P178-L180 PolarHBondContact O-N 2.89Å
179	N	81.2	Confident	89.1	Confident	55 Å²	55	28 Å²	28	29%	0.294	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.3	178	-62.2	-15.9	0	0	0	113.6	S89 E177 L657	S89-N179 WeakPolarHBondContact OG-CB 3.26Å; S89-N179 PolarHBondContact OG-ND2 2.58Å; E177-N179 PolarHBondContact O-N 3.03Å; N179-L657 HydrophobicContact CB-CD2 3.69Å; N179-L657 WeakPolarHBondContact OD1-CD2 3.43Å
180	L	86.1	Confident	88.7	Confident	17 Å²	17	26 Å²	26	9%	0.089	15%	0.153	C	C	.	.			trans	-108.8	134.3	-168.3	-58.2	174.6	0	0	0	111.4	M86 L90 L93 E177 P178 T183 T480	M86-L180 HydrophobicContact CB-CD2 4.2Å; L90-L180 HydrophobicContact CB-CD2 4.49Å; L93-L180 HydrophobicContact CD1-CD1 3.29Å; L93-L180 HydrophobicContact CG-CD1 4.03Å; E177-L180 HydrophobicContact CB-CD1 3.71Å; E177-L180 HydrophobicContact CB-CG 4.23Å; E177-L180 PolarHBondContact O-N 2.79Å; P178-L180 PolarHBondContact O-N 2.89Å; L180-T183 WeakPolarHBondContact CB-OG1 3.22Å; L180-T480 HydrophobicContact CD2-CG2 3.86Å
181	H	79.3	Confident	88.6	Confident	33 Å²	33	26 Å²	26	15%	0.153	15%	0.153	C	C	.	.	S	Bend	trans	-106.8	133.2	174.9	-177.9	80.5	0	0	0	109.3	G135 Y136 T480 E481 P483	G135-H181 PolarHBondContact O-CE1 2.85Å; Y136-H181 AromaticContact CD1-CE1 3.97Å; Y136-H181 AromaticContact CE1-CE1 3.82Å; Y136-H181 AromaticContact CE1-ND1 3.99Å; H181-T480 PolarHBondContact N-OG1 3.32Å; H181-T480 PolarHBondContact O-OG1 3.41Å; H181-E481 PolarHBondContact O-N 3.04Å; H181-P483 VanDerWaalsContact CD2-CG 3.43Å; H181-P483 WeakPolarHBondContact CD2-CG 3.28Å
182	F	84.8	Confident	88.6	Confident	1 Å²	1	25.1 Å²	25.1	0%	0.004	15%	0.148	C	C	.	.	S	Bend	trans	35.1	83.6	-168.5	-79.9	-67.2	0	0	0	114.8	Y136 F138 I140 V194 Y195 P196 F198 L447 Y452 T480 E481	Y136-F182 HydrophobicContact CD1-CD2 4.33Å; Y136-F182 HydrophobicContact CD1-CE1 4.25Å; Y136-F182 AromaticContact CD1-CE2 3.44Å; Y136-F182 HydrophobicContact CD1-CE2 3.44Å; Y136-F182 VanDerWaalsContact CD1-CE2 3.44Å; Y136-F182 AromaticContact CD1-CZ 3.38Å; Y136-F182 HydrophobicContact CD1-CZ 3.38Å; Y136-F182 HydrophobicContact CE1-CD1 4.45Å; Y136-F182 HydrophobicContact CE1-CD2 4.04Å; Y136-F182 HydrophobicContact CE1-CE1 4.01Å; Y136-F182 AromaticContact CE1-CE2 3.56Å; Y136-F182 HydrophobicContact CE1-CE2 3.56Å; Y136-F182 HydrophobicContact CE1-CG 4.45Å; Y136-F182 AromaticContact CE1-CZ 3.54Å; Y136-F182 HydrophobicContact CE1-CZ 3.54Å; F138-F182 AromaticContact CE1-CE2 3.66Å; F138-F182 HydrophobicContact CE1-CE2 3.66Å; F138-F182 AromaticContact CE1-CZ 3.51Å; F138-F182 HydrophobicContact CE1-CZ 3.51Å; F138-F182 HydrophobicContact CE2-CZ 4.41Å; F138-F182 HydrophobicContact CZ-CE1 4.19Å; F138-F182 AromaticContact CZ-CE2 3.81Å; F138-F182 HydrophobicContact CZ-CE2 3.81Å; F138-F182 AromaticContact CZ-CZ 3.31Å; F138-F182 HydrophobicContact CZ-CZ 3.31Å; I140-F182 HydrophobicContact CG2-CZ 4.24Å; F182-V194 HydrophobicContact CD1-CG1 4.04Å; F182-Y195 CarbonylContact C-O 3.54Å; F182-Y195 WeakPolarHBondContact CA-O 3.35Å; F182-P196 HydrophobicContact CD1-CG 4.47Å; F182-P196 HydrophobicContact CE1-CG 3.94Å; F182-F198 HydrophobicContact CD1-CD1 4.48Å; F182-F198 AromaticContact CE1-CD1 3.83Å; F182-F198 HydrophobicContact CE1-CD1 3.83Å; F182-F198 HydrophobicContact CE1-CE1 4.24Å; F182-L447 HydrophobicContact CB-CD1 4.09Å; F182-L447 HydrophobicContact CB-CD2 4.07Å; F182-L447 HydrophobicContact CD1-CD1 4.3Å; F182-L447 HydrophobicContact CD1-CD2 4.1Å; F182-L447 HydrophobicContact CD2-CD1 3.42Å; F182-L447 VanDerWaalsContact CD2-CD1 3.42Å; F182-L447 HydrophobicContact CE2-CD1 3.88Å; F182-L447 HydrophobicContact CG-CD1 3.67Å; F182-L447 HydrophobicContact CG-CD2 4Å; F182-Y452 HydrophobicContact CE2-CE2 4.04Å; F182-T480 WeakPolarHBondContact O-CA 3.36Å; F182-E481 HydrophobicContact CB-CB 4.45Å; F182-E481 HydrophobicContact CB-CG 4.46Å; F182-E481 PolarHBondContact O-N 2.87Å
183	T	91.4	Very high	88.8	Confident	4 Å²	4	21.5 Å²	21.5	3%	0.025	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.7	176.3	-51.9	0	0	0	0	110.2	L93 F174 L180 Y195 G479	L93-T183 HydrophobicContact CD1-CG2 3.54Å; F174-T183 HydrophobicContact CD1-CG2 3.43Å; F174-T183 VanDerWaalsContact CD1-CG2 3.43Å; F174-T183 HydrophobicContact CE1-CG2 3.61Å; F174-T183 HydrophobicContact CG-CG2 4.38Å; L180-T183 WeakPolarHBondContact CB-OG1 3.22Å; T183-Y195 PolarHBondContact N-O 3.47Å; T183-Y195 PolarHBondContact O-N 3.12Å; T183-G479 CarbonylContact C-O 3.55Å; T183-G479 WeakPolarHBondContact CA-O 3.35Å
184	Y	92.6	Very high	88.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.6	179.2	69	-89.1	0	0	0	113.1	A186 L192 R193 W215 V446 S460 M478 G479 E481	Y184-A186 HydrophobicContact CD2-CB 4.28Å; Y184-A186 HydrophobicContact CE2-CB 4.38Å; Y184-L192 HydrophobicContact CD2-CD1 3.93Å; Y184-L192 HydrophobicContact CG-CD1 4.32Å; Y184-R193 CarbonylContact C-O 3.53Å; Y184-R193 VanDerWaalsContact CA-O 3.26Å; Y184-R193 WeakPolarHBondContact CA-O 3.2Å; Y184-W215 HydrophobicContact CD2-CH2 4.5Å; Y184-W215 HydrophobicContact CD2-CZ3 4.42Å; Y184-W215 HydrophobicContact CE2-CE3 4.11Å; Y184-W215 HydrophobicContact CE2-CH2 4.02Å; Y184-W215 AromaticContact CE2-CZ3 3.58Å; Y184-W215 HydrophobicContact CE2-CZ3 3.58Å; Y184-V446 HydrophobicContact CD1-CG1 3.94Å; Y184-V446 HydrophobicContact CD2-CG1 4.28Å; Y184-V446 HydrophobicContact CE1-CG1 3.95Å; Y184-V446 HydrophobicContact CE1-CG2 4.46Å; Y184-V446 HydrophobicContact CE2-CG1 4.3Å; Y184-V446 HydrophobicContact CG-CG1 4.11Å; Y184-S460 PolarHBondContact OH-OG 2.95Å; Y184-M478 CarbonylContact O-C 3.52Å; Y184-M478 WeakPolarHBondContact O-CA 3.31Å; Y184-M478 VanDerWaalsContact O-SD 3.35Å; Y184-G479 WeakPolarHBondContact CD1-O 3.34Å; Y184-G479 VanDerWaalsContact CE1-C 3.42Å; Y184-G479 PolarHBondContact N-O 2.92Å; Y184-G479 PolarHBondContact O-N 3.15Å; Y184-E481 WeakPolarHBondContact CE1-OE1 3.29Å
185	F	95	Very high	88.7	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.1	165.4	178.7	-107.6	0	0	0	109.9	W166 T167 L170 F174 R193 V465 L475 L477 M478	W166-F185 HydrophobicContact CH2-CD1 4.19Å; W166-F185 AromaticContact CH2-CE1 3.43Å; W166-F185 HydrophobicContact CH2-CE1 3.43Å; W166-F185 VanDerWaalsContact CH2-CE1 3.43Å; W166-F185 HydrophobicContact CH2-CE2 4.3Å; W166-F185 AromaticContact CH2-CZ 3.51Å; W166-F185 HydrophobicContact CH2-CZ 3.51Å; W166-F185 AromaticContact CZ2-CE1 3.73Å; W166-F185 HydrophobicContact CZ2-CE1 3.73Å; W166-F185 AromaticContact CZ2-CZ 3.88Å; W166-F185 HydrophobicContact CZ2-CZ 3.88Å; W166-F185 HydrophobicContact CZ3-CE1 4.44Å; T167-F185 HydrophobicContact CG2-CD1 3.73Å; T167-F185 HydrophobicContact CG2-CE1 3.79Å; L170-F185 HydrophobicContact CD1-CB 3.76Å; L170-F185 HydrophobicContact CD1-CD1 4.13Å; L170-F185 HydrophobicContact CD1-CG 4Å; F174-F185 HydrophobicContact CZ-CB 4.3Å; F185-R193 PolarHBondContact N-O 3.06Å; F185-R193 PolarHBondContact O-N 3.23Å; F185-V465 HydrophobicContact CD2-CG2 4.29Å; F185-V465 HydrophobicContact CE2-CB 4.14Å; F185-V465 HydrophobicContact CE2-CG2 3.95Å; F185-L475 HydrophobicContact CZ-CB 4.31Å; F185-L477 CarbonylContact C-O 3.51Å; F185-L477 WeakPolarHBondContact CA-O 3.36Å; F185-L477 WeakPolarHBondContact CD2-O 3.16Å; F185-M478 HydrophobicContact CB-CE 4.42Å; F185-M478 HydrophobicContact CB-SD 3.82Å; F185-M478 HydrophobicContact CD2-CE 4.12Å; F185-M478 HydrophobicContact CD2-SD 4.17Å; F185-M478 HydrophobicContact CG-SD 4.46Å
186	A	92.1	Very high	88.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.4	176	0	0	0	0	0	109.5	Y184 L192 V210 W215 F216 G476 L477	Y184-A186 HydrophobicContact CD2-CB 4.28Å; Y184-A186 HydrophobicContact CE2-CB 4.38Å; A186-L192 HydrophobicContact CB-CD1 4.02Å; A186-V210 HydrophobicContact CB-CB 4.15Å; A186-V210 HydrophobicContact CB-CG1 4.12Å; A186-V210 HydrophobicContact CB-CG2 4.21Å; A186-W215 HydrophobicContact CB-CH2 3.61Å; A186-W215 HydrophobicContact CB-CZ3 3.61Å; A186-F216 HydrophobicContact CB-CD2 3.86Å; A186-F216 HydrophobicContact CB-CE2 3.94Å; A186-F216 WeakPolarHBondContact O-CE2 3.32Å; A186-G476 CarbonylContact O-C 3.52Å; A186-G476 WeakPolarHBondContact O-CA 3.46Å; A186-L477 PolarHBondContact N-O 2.92Å; A186-L477 PolarHBondContact O-N 2.67Å
187	S	90.6	Very high	88.9	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.007	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	151.6	-176.3	-170.5	0	0	0	0	113.2	T189 G190 I191 L475	S187-T189 WeakPolarHBondContact CB-OG1 3.36Å; S187-T189 PolarHBondContact O-N 2.98Å; S187-T189 PolarHBondContact OG-N 2.99Å; S187-T189 PolarHBondContact OG-OG1 3.36Å; S187-G190 PolarHBondContact O-N 3.02Å; S187-I191 PolarHBondContact N-O 2.89Å; S187-L475 WeakPolarHBondContact CA-O 3.41Å; S187-L475 PolarHBondContact OG-O 3.1Å
188	F	84.1	Confident	88.8	Confident	49 Å²	49	15.3 Å²	15.3	22%	0.215	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.6	169.3	86.3	-85.7	0	0	0	113.7	T159 G190 R211 F474 L475	T159-F188 HydrophobicContact CG2-CZ 4.25Å; F188-G190 VanDerWaalsContact C-N 3.27Å; F188-G190 PolarHBondContact O-N 3.42Å; F188-R211 WeakPolarHBondContact O-CD 3.24Å; F188-F474 HydrophobicContact CB-CD1 4.13Å; F188-F474 HydrophobicContact CB-CE1 4.1Å; F188-L475 WeakPolarHBondContact CD1-O 3.33Å; F188-L475 PolarHBondContact N-O 2.71Å; F188-L475 VanDerWaalsContact N-O 3.09Å
189	T	85.5	Confident	89	Confident	10 Å²	10	10 Å²	10	6%	0.061	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.4	174.4	59.1	0	0	0	0	113.9	T159 S187 I191 R211	T159-T189 HydrophobicContact CG2-CG2 3.96Å; S187-T189 WeakPolarHBondContact CB-OG1 3.36Å; S187-T189 PolarHBondContact O-N 2.98Å; S187-T189 PolarHBondContact OG-N 2.99Å; S187-T189 PolarHBondContact OG-OG1 3.36Å; T189-I191 WeakPolarHBondContact OG1-CD1 3.34Å; T189-I191 WeakPolarHBondContact OG1-CG1 3.17Å; T189-R211 PolarHBondContact O-NH1 3.49Å
190	G	86.5	Confident	89.1	Confident	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	98.6	-6.2	-174.6	0	0	0	0	0	114.3	P150 S187 F188	P150-G190 WeakPolarHBondContact CD-O 3.41Å; P150-G190 VanDerWaalsContact CG-O 3.29Å; P150-G190 WeakPolarHBondContact CG-O 3.03Å; S187-G190 PolarHBondContact O-N 3.02Å; F188-G190 VanDerWaalsContact C-N 3.27Å; F188-G190 PolarHBondContact O-N 3.42Å
191	I	92	Very high	88.6	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.038	C	C	.	.			trans	-70.8	130.7	176.8	-61.5	167.2	0	0	0	109.9	V147 L149 V160 T163 L164 S187 T189	V147-I191 HydrophobicContact CG1-CG2 3.72Å; L149-I191 HydrophobicContact CD1-CG1 3.82Å; V160-I191 HydrophobicContact CG1-CD1 4.04Å; V160-I191 HydrophobicContact CG1-CG1 4.39Å; V160-I191 WeakPolarHBondContact O-CD1 3.34Å; T163-I191 HydrophobicContact CG2-CD1 3.6Å; L164-I191 HydrophobicContact CD2-CD1 3.94Å; L164-I191 HydrophobicContact CD2-CG1 4.38Å; L164-I191 HydrophobicContact CD2-CG2 4Å; L164-I191 HydrophobicContact CG-CD1 3.92Å; S187-I191 PolarHBondContact N-O 2.89Å; T189-I191 WeakPolarHBondContact OG1-CD1 3.34Å; T189-I191 WeakPolarHBondContact OG1-CG1 3.17Å
192	L	93.1	Very high	88	Confident	0 Å²	0	12 Å²	12	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.1	166.9	177.8	61.2	0	0	0	109.3	V147 H148 Y184 A186 V194 W200 F208 V210 W215	V147-L192 CarbonylContact C-O 3.53Å; V147-L192 VanDerWaalsContact CA-O 3.24Å; V147-L192 WeakPolarHBondContact CA-O 3.32Å; H148-L192 HydrophobicContact CB-CB 4.25Å; H148-L192 PolarHBondContact N-O 3.13Å; H148-L192 PolarHBondContact O-N 2.78Å; Y184-L192 HydrophobicContact CD2-CD1 3.93Å; Y184-L192 HydrophobicContact CG-CD1 4.32Å; A186-L192 HydrophobicContact CB-CD1 4.02Å; L192-V194 HydrophobicContact CD1-CG2 3.98Å; L192-V194 HydrophobicContact CD2-CG2 3.91Å; L192-V194 HydrophobicContact CG-CG2 3.67Å; L192-W200 HydrophobicContact CD2-CH2 3.99Å; L192-W200 HydrophobicContact CD2-CZ3 4.33Å; L192-F208 HydrophobicContact CD2-CE1 3.78Å; L192-F208 HydrophobicContact CD2-CZ 3.82Å; L192-V210 HydrophobicContact CB-CG1 3.64Å; L192-V210 HydrophobicContact CD1-CG1 4.05Å; L192-V210 HydrophobicContact CD2-CG1 3.99Å; L192-V210 HydrophobicContact CG-CG1 4.09Å; L192-W215 HydrophobicContact CD1-CH2 4.5Å
193	R	95	Very high	87.1	Confident	4 Å²	4	16.4 Å²	16.4	2%	0.015	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.8	170.9	-177.3	-178.5	-77.6	-105.8	14.7	108.9	S145 G146 V147 L164 T167 D171 F174 Y184 F185	S145-R193 WeakPolarHBondContact OG-CD 3.14Å; S145-R193 WeakPolarHBondContact OG-CG 3.25Å; S145-R193 PolarHBondContact OG-NH1 3.4Å; G146-R193 CarbonylContact O-C 3.6Å; G146-R193 VanDerWaalsContact O-CA 3.29Å; G146-R193 WeakPolarHBondContact O-CA 3.35Å; V147-R193 HydrophobicContact CG2-CB 4.15Å; V147-R193 HydrophobicContact CG2-CG 3.99Å; L164-R193 PolarHBondContact O-NH2 2.95Å; T167-R193 WeakPolarHBondContact O-CD 3.32Å; T167-R193 PolarHBondContact O-NE 3.39Å; T167-R193 PolarHBondContact OG1-NE 3.05Å; T167-R193 PolarHBondContact OG1-NH2 2.87Å; D171-R193 IonicContact OD1-NH1 2.68Å; F174-R193 HydrophobicContact CE2-CG 4.29Å; Y184-R193 CarbonylContact C-O 3.53Å; Y184-R193 VanDerWaalsContact CA-O 3.26Å; Y184-R193 WeakPolarHBondContact CA-O 3.2Å; F185-R193 PolarHBondContact N-O 3.06Å; F185-R193 PolarHBondContact O-N 3.23Å
194	V	92.5	Very high	85.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140	-177.1	-165.9	0	0	0	0	111	L120 S145 G146 F182 L192 F198 L447	L120-V194 HydrophobicContact CD1-CG2 4.29Å; S145-V194 CarbonylContact C-O 3.57Å; S145-V194 WeakPolarHBondContact CA-O 3.48Å; S145-V194 WeakPolarHBondContact CB-O 3.35Å; G146-V194 PolarHBondContact N-O 3.39Å; G146-V194 PolarHBondContact O-N 2.62Å; F182-V194 HydrophobicContact CD1-CG1 4.04Å; L192-V194 HydrophobicContact CD1-CG2 3.98Å; L192-V194 HydrophobicContact CD2-CG2 3.91Å; L192-V194 HydrophobicContact CG-CG2 3.67Å; V194-F198 HydrophobicContact CB-CE1 4.11Å; V194-F198 HydrophobicContact CG1-CE1 3.88Å; V194-L447 HydrophobicContact CG1-CD2 3.96Å
195	Y	92.2	Very high	84.9	Confident	32 Å²	32	27.7 Å²	27.7	13%	0.125	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.2	177.4	177.3	-87.8	0	0	0	111.1	F174 P175 F182 T183	F174-Y195 HydrophobicContact CB-CD1 3.65Å; F174-Y195 HydrophobicContact CB-CD2 4.06Å; F174-Y195 HydrophobicContact CB-CE1 4.26Å; F174-Y195 HydrophobicContact CB-CG 3.55Å; F174-Y195 HydrophobicContact CD2-CD2 4.22Å; F174-Y195 AromaticContact CD2-CG 3.88Å; F174-Y195 HydrophobicContact CD2-CG 3.88Å; F174-Y195 HydrophobicContact CG-CD1 4.48Å; F174-Y195 HydrophobicContact CG-CG 4.05Å; P175-Y195 HydrophobicContact CG-CE2 3.98Å; F182-Y195 CarbonylContact C-O 3.54Å; F182-Y195 WeakPolarHBondContact CA-O 3.35Å; T183-Y195 PolarHBondContact N-O 3.47Å; T183-Y195 PolarHBondContact O-N 3.12Å
196	P	91.3	Very high	84	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.013	14%	0.142	C	C	.	.	S	Bend	cis	-69.5	162.5	-8	30.8	-36.5	0	0	0	112.4	Y136 I140 M141 F182	Y136-P196 HydrophobicContact CD1-CG 4.43Å; Y136-P196 HydrophobicContact CE1-CG 3.74Å; I140-P196 HydrophobicContact CB-CB 4.08Å; I140-P196 HydrophobicContact CB-CG 3.92Å; I140-P196 HydrophobicContact CD1-CB 3.92Å; I140-P196 HydrophobicContact CD1-CG 3.57Å; I140-P196 HydrophobicContact CG1-CG 4.36Å; I140-P196 HydrophobicContact CG2-CG 3.89Å; M141-P196 WeakPolarHBondContact O-CB 3.31Å; F182-P196 HydrophobicContact CD1-CG 4.47Å; F182-P196 HydrophobicContact CE1-CG 3.94Å
197	A	91.4	Very high	83.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-71.9	152.3	176.7	0	0	0	0	0	111.8	L120 L123 I140 M141 K144 G146	L120-A197 HydrophobicContact CD2-CB 4.22Å; L123-A197 HydrophobicContact CD1-CB 4.09Å; I140-A197 CarbonylContact C-O 3.49Å; I140-A197 WeakPolarHBondContact CA-O 3.25Å; M141-A197 HydrophobicContact CB-CB 3.87Å; M141-A197 PolarHBondContact N-O 2.93Å; K144-A197 PolarHBondContact O-N 2.98Å; G146-A197 VanDerWaalsContact N-CB 3.28Å
198	F	87.9	Confident	82.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.			trans	-154.9	167.1	-177.8	62.3	-92.5	0	0	0	112	L120 L123 F138 F182 V194 W200 L447 T449	L120-F198 HydrophobicContact CD2-CD1 4.33Å; L120-F198 HydrophobicContact CD2-CE1 4.45Å; L120-F198 WeakPolarHBondContact CD2-O 3.23Å; L123-F198 WeakPolarHBondContact CD1-O 3.22Å; F138-F198 HydrophobicContact CD2-CB 4.24Å; F138-F198 HydrophobicContact CE2-CB 3.55Å; F138-F198 HydrophobicContact CE2-CD1 4.48Å; F138-F198 AromaticContact CE2-CD2 3.71Å; F138-F198 HydrophobicContact CE2-CD2 3.71Å; F138-F198 AromaticContact CE2-CG 3.67Å; F138-F198 HydrophobicContact CE2-CG 3.67Å; F138-F198 HydrophobicContact CZ-CB 4.29Å; F138-F198 HydrophobicContact CZ-CD2 4.41Å; F138-F198 HydrophobicContact CZ-CG 4.19Å; F182-F198 HydrophobicContact CD1-CD1 4.48Å; F182-F198 AromaticContact CE1-CD1 3.83Å; F182-F198 HydrophobicContact CE1-CD1 3.83Å; F182-F198 HydrophobicContact CE1-CE1 4.24Å; V194-F198 HydrophobicContact CB-CE1 4.11Å; V194-F198 HydrophobicContact CG1-CE1 3.88Å; F198-W200 AromaticContact CE2-CE3 3.81Å; F198-W200 HydrophobicContact CE2-CE3 3.81Å; F198-W200 HydrophobicContact CE2-CZ3 4.22Å; F198-W200 AromaticContact CZ-CE3 3.89Å; F198-W200 HydrophobicContact CZ-CE3 3.89Å; F198-W200 AromaticContact CZ-CZ3 3.88Å; F198-W200 HydrophobicContact CZ-CZ3 3.88Å; F198-W200 PolarHBondContact O-N 2.84Å; F198-L447 HydrophobicContact CE1-CD2 3.98Å; F198-L447 WeakPolarHBondContact CE2-O 3.45Å; F198-L447 HydrophobicContact CZ-CB 4.12Å; F198-L447 HydrophobicContact CZ-CD2 4.08Å; F198-L447 VanDerWaalsContact CZ-O 3.3Å; F198-L447 WeakPolarHBondContact CZ-O 3.45Å; F198-T449 HydrophobicContact CE2-CG2 4.45Å
199	P	84.5	Confident	82.7	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.013	16%	0.157	C	C	.	.			trans	-63.9	113.4	172.3	-23.4	35.7	0	0	0	112.8	L123 L125 L130 K139 T449	L123-P199 WeakPolarHBondContact O-CA 3.43Å; L123-P199 WeakPolarHBondContact O-CB 3.36Å; L125-P199 HydrophobicContact CD1-CB 3.82Å; L125-P199 HydrophobicContact CD1-CG 3.98Å; L130-P199 HydrophobicContact CD1-CG 3.53Å; K139-P199 WeakPolarHBondContact O-CD 3.26Å; P199-T449 PolarHBondContact O-OG1 2.96Å; P199-T449 VanDerWaalsContact O-OG1 3.1Å
200	W	83.1	Confident	82.6	Confident	8 Å²	8	30.9 Å²	30.9	3%	0.03	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-63.1	157.3	168.1	-157.2	-110.4	0	0	0	110.6	L120 R121 H148 L192 F198 Q202 D206 F208 H448	L120-W200 HydrophobicContact CB-CB 3.92Å; L120-W200 HydrophobicContact CB-CE3 4.2Å; L120-W200 HydrophobicContact CB-CG 4.47Å; L120-W200 HydrophobicContact CD1-CE3 3.98Å; L120-W200 HydrophobicContact CD1-CZ3 4.19Å; L120-W200 VanDerWaalsContact O-CB 3.25Å; L120-W200 WeakPolarHBondContact O-CB 3.48Å; L120-W200 PolarHBondContact O-N 3.43Å; R121-W200 HydrophobicContact CG-CB 4.14Å; R121-W200 HydrophobicContact CG-CG 4.12Å; H148-W200 AromaticContact CD2-CD1 3.94Å; H148-W200 AromaticContact CD2-CD2 3.88Å; H148-W200 AromaticContact CD2-CE2 3.33Å; H148-W200 AromaticContact CD2-CZ2 3.6Å; H148-W200 AromaticContact CD2-NE1 3.37Å; H148-W200 PolarHBondContact CD2-NE1 3.27Å; H148-W200 AromaticContact NE2-CE2 3.85Å; H148-W200 AromaticContact NE2-NE1 3.56Å; L192-W200 HydrophobicContact CD2-CH2 3.99Å; L192-W200 HydrophobicContact CD2-CZ3 4.33Å; F198-W200 AromaticContact CE2-CE3 3.81Å; F198-W200 HydrophobicContact CE2-CE3 3.81Å; F198-W200 HydrophobicContact CE2-CZ3 4.22Å; F198-W200 AromaticContact CZ-CE3 3.89Å; F198-W200 HydrophobicContact CZ-CE3 3.89Å; F198-W200 AromaticContact CZ-CZ3 3.88Å; F198-W200 HydrophobicContact CZ-CZ3 3.88Å; F198-W200 PolarHBondContact O-N 2.84Å; W200-Q202 PolarHBondContact O-N 3.34Å; W200-D206 PolarHBondContact NE1-OD2 2.73Å; W200-F208 HydrophobicContact CH2-CD1 4.3Å; W200-F208 HydrophobicContact CH2-CD2 4.3Å; W200-F208 HydrophobicContact CH2-CE1 4.02Å; W200-F208 HydrophobicContact CH2-CE2 4.07Å; W200-F208 HydrophobicContact CH2-CG 4.44Å; W200-F208 AromaticContact CH2-CZ 3.92Å; W200-F208 HydrophobicContact CH2-CZ 3.92Å; W200-F208 HydrophobicContact CZ2-CB 4.26Å; W200-F208 AromaticContact CZ2-CD1 3.82Å; W200-F208 HydrophobicContact CZ2-CD1 3.82Å; W200-F208 AromaticContact CZ2-CD2 3.79Å; W200-F208 HydrophobicContact CZ2-CD2 3.79Å; W200-F208 HydrophobicContact CZ2-CE1 4.02Å; W200-F208 HydrophobicContact CZ2-CE2 4.04Å; W200-F208 AromaticContact CZ2-CG 3.71Å; W200-F208 HydrophobicContact CZ2-CG 3.71Å; W200-F208 HydrophobicContact CZ2-CZ 4.14Å; W200-H448 HydrophobicContact CH2-CB 3.81Å; W200-H448 HydrophobicContact CZ2-CB 3.61Å; W200-H448 HydrophobicContact CZ3-CB 4.44Å
201	R	75	Confident	82.3	Confident	36 Å²	36	33 Å²	33	14%	0.136	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-58.5	131	170.4	174.1	-178	-172.4	-165.7	13.8	110.9	Q203 H448 P522	R201-Q203 HydrophobicContact CG-CG 4.2Å; R201-Q203 VanDerWaalsContact CZ-CD 3.49Å; R201-H448 WeakPolarHBondContact CB-O 3.49Å; R201-H448 PolarHBondContact N-O 3.44Å; R201-P522 PolarHBondContact NH1-O 3.27Å; R201-P522 VanDerWaalsContact NH2-C 3.33Å; R201-P522 PolarHBondContact NH2-O 3.25Å
202	Q	67.1	Low	81.6	Confident	103 Å²	103	36.3 Å²	36.3	48%	0.481	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-85.8	127.7	171.2	-67.6	173.7	5.7	0	0	109.5	W200	W200-Q202 PolarHBondContact O-N 3.34Å
203	Q	66.2	Low	81	Confident	92 Å²	92	36.9 Å²	36.9	43%	0.43	18%	0.177	S	C	.	.			trans	-145.4	155.4	172.8	-79.2	-176.7	-63.9	0	0	108.3	R201 V205	R201-Q203 HydrophobicContact CG-CG 4.2Å; R201-Q203 VanDerWaalsContact CZ-CD 3.49Å; Q203-V205 VanDerWaalsContact C-N 3.26Å; Q203-V205 PolarHBondContact O-N 3.24Å
204	N	66.8	Low	80.1	Confident	149 Å²	149	37.5 Å²	37.5	80%	0.797	18%	0.182	S	C	*	.	S	Bend	trans	-62.9	-32.5	-179.7	-64.9	-1	0	0	0	113
205	V	71.6	Confident	79.5	Confident	93 Å²	93	37.9 Å²	37.9	56%	0.564	18%	0.183	S	C	*	.	S	Bend	trans	-141.3	125.3	168.7	-177.7	0	0	0	0	107.4	Q203 M207	Q203-V205 VanDerWaalsContact C-N 3.26Å; Q203-V205 PolarHBondContact O-N 3.24Å; V205-M207 HydrophobicContact CG1-CG 4.5Å; V205-M207 HydrophobicContact CG1-SD 4.14Å
206	D	76.9	Confident	79	Confident	17 Å²	17	36.3 Å²	36.3	9%	0.091	18%	0.177	C	C	.	.			trans	-95.3	117.2	176.5	179.9	3	0	0	0	109.9	H148 V151 W200 F208	H148-D206 IonicContact CD2-OD2 2.78Å; H148-D206 PolarHBondContact CD2-OD2 2.57Å; H148-D206 IonicContact CE1-OD2 2.9Å; H148-D206 IonicContact NE2-OD1 3.05Å; H148-D206 IonicContact NE2-OD2 2.99Å; H148-D206 PolarHBondContact NE2-OD2 3.23Å; V151-D206 VanDerWaalsContact CG2-O 3.22Å; V151-D206 WeakPolarHBondContact CG2-O 3.34Å; W200-D206 PolarHBondContact NE1-OD2 2.73Å; D206-F208 WeakPolarHBondContact OD1-CB 3.37Å; D206-F208 PolarHBondContact OD1-N 3.26Å
207	M	76.7	Confident	78.4	Confident	104 Å²	104	36.4 Å²	36.4	51%	0.512	18%	0.178	S	C	.	.			trans	-98.7	2.9	-178.5	-68.4	-63.3	-62.2	0	0	113.3	V205 D209	V205-M207 HydrophobicContact CG1-CG 4.5Å; V205-M207 HydrophobicContact CG1-SD 4.14Å; M207-D209 PolarHBondContact O-N 3.4Å
208	F	79.9	Confident	77.8	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.013	19%	0.186	C	C	.	.			trans	-59.8	131.3	-179.2	-179.7	-82.6	0	0	0	111.8	H148 P150 L192 W200 D206 V210 R213 H448	H148-F208 AromaticContact CE1-CD1 3.55Å; H148-F208 PolarHBondContact CE1-O 3.29Å; H148-F208 AromaticContact ND1-CD1 3.73Å; H148-F208 AromaticContact NE2-CD1 3.98Å; P150-F208 WeakPolarHBondContact CB-O 3.41Å; P150-F208 WeakPolarHBondContact CG-O 3.33Å; L192-F208 HydrophobicContact CD2-CE1 3.78Å; L192-F208 HydrophobicContact CD2-CZ 3.82Å; W200-F208 HydrophobicContact CH2-CD1 4.3Å; W200-F208 HydrophobicContact CH2-CD2 4.3Å; W200-F208 HydrophobicContact CH2-CE1 4.02Å; W200-F208 HydrophobicContact CH2-CE2 4.07Å; W200-F208 HydrophobicContact CH2-CG 4.44Å; W200-F208 AromaticContact CH2-CZ 3.92Å; W200-F208 HydrophobicContact CH2-CZ 3.92Å; W200-F208 HydrophobicContact CZ2-CB 4.26Å; W200-F208 AromaticContact CZ2-CD1 3.82Å; W200-F208 HydrophobicContact CZ2-CD1 3.82Å; W200-F208 AromaticContact CZ2-CD2 3.79Å; W200-F208 HydrophobicContact CZ2-CD2 3.79Å; W200-F208 HydrophobicContact CZ2-CE1 4.02Å; W200-F208 HydrophobicContact CZ2-CE2 4.04Å; W200-F208 AromaticContact CZ2-CG 3.71Å; W200-F208 HydrophobicContact CZ2-CG 3.71Å; W200-F208 HydrophobicContact CZ2-CZ 4.14Å; D206-F208 WeakPolarHBondContact OD1-CB 3.37Å; D206-F208 PolarHBondContact OD1-N 3.26Å; F208-V210 HydrophobicContact CE1-CG1 3.56Å; F208-V210 HydrophobicContact CZ-CG1 3.89Å; F208-R213 HydrophobicContact CE2-CG 4.26Å; F208-H448 HydrophobicContact CD2-CB 4.34Å; F208-H448 AromaticContact CD2-CD2 3.72Å; F208-H448 AromaticContact CD2-CG 3.68Å; F208-H448 AromaticContact CD2-ND1 3.84Å; F208-H448 HydrophobicContact CE2-CB 4.45Å; F208-H448 AromaticContact CE2-CD2 3.43Å; F208-H448 VanDerWaalsContact CE2-CD2 3.43Å; F208-H448 WeakPolarHBondContact CE2-CD2 3.46Å; F208-H448 AromaticContact CE2-CG 3.82Å
209	D	82.3	Confident	77.2	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.186	C	C	.	.			trans	-144.5	117.7	171.2	-178.7	-10	0	0	0	108.7	P150 M207 R211 R212	P150-D209 HydrophobicContact CB-CB 4.17Å; P150-D209 HydrophobicContact CG-CB 4.08Å; M207-D209 PolarHBondContact O-N 3.4Å; D209-R211 PolarHBondContact O-N 2.91Å; D209-R211 WeakPolarHBondContact OD1-CB 3.36Å; D209-R211 WeakPolarHBondContact OD1-CG 3.42Å; D209-R211 IonicContact OD1-CZ 2.97Å; D209-R211 PolarHBondContact OD1-N 2.78Å; D209-R211 IonicContact OD1-NE 3.59Å; D209-R211 PolarHBondContact OD1-NE 2.68Å; D209-R211 IonicContact OD1-NH2 2.59Å; D209-R211 IonicContact OD2-CZ 2.69Å; D209-R211 VanDerWaalsContact OD2-CZ 3.27Å; D209-R211 IonicContact OD2-NE 3.05Å; D209-R211 PolarHBondContact OD2-NE 3.32Å; D209-R211 IonicContact OD2-NH2 3.21Å; D209-R211 PolarHBondContact OD2-NH2 3.23Å; D209-R212 HydrophobicContact CB-CG 4.24Å; D209-R212 PolarHBondContact O-N 3.19Å
210	V	83.2	Confident	76.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-51.7	-35.1	179.5	-65.8	0	0	0	0	112.6	A186 L192 F208 R212 R213 W215 F216	A186-V210 HydrophobicContact CB-CB 4.15Å; A186-V210 HydrophobicContact CB-CG1 4.12Å; A186-V210 HydrophobicContact CB-CG2 4.21Å; L192-V210 HydrophobicContact CB-CG1 3.64Å; L192-V210 HydrophobicContact CD1-CG1 4.05Å; L192-V210 HydrophobicContact CD2-CG1 3.99Å; L192-V210 HydrophobicContact CG-CG1 4.09Å; F208-V210 HydrophobicContact CE1-CG1 3.56Å; F208-V210 HydrophobicContact CZ-CG1 3.89Å; V210-R212 PolarHBondContact O-N 2.69Å; V210-R212 VanDerWaalsContact O-N 3.13Å; V210-R213 PolarHBondContact O-N 2.62Å; V210-W215 HydrophobicContact CB-CH2 3.77Å; V210-W215 HydrophobicContact CB-CZ2 4.2Å; V210-W215 HydrophobicContact CG1-CH2 3.61Å; V210-W215 HydrophobicContact CG1-CZ2 3.94Å; V210-F216 HydrophobicContact CB-CD2 4.2Å; V210-F216 HydrophobicContact CG2-CD2 4.27Å; V210-F216 HydrophobicContact CG2-CE2 4.32Å; V210-F216 WeakPolarHBondContact O-CB 3.41Å; V210-F216 WeakPolarHBondContact O-CG 3.19Å
211	R	80.1	Confident	76.4	Confident	44 Å²	44	37.9 Å²	37.9	17%	0.166	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-66	-19.4	-175.2	-57.8	170.5	-64.2	-177.9	6.5	112.9	F188 T189 D209 F216	F188-R211 WeakPolarHBondContact O-CD 3.24Å; T189-R211 PolarHBondContact O-NH1 3.49Å; D209-R211 PolarHBondContact O-N 2.91Å; D209-R211 WeakPolarHBondContact OD1-CB 3.36Å; D209-R211 WeakPolarHBondContact OD1-CG 3.42Å; D209-R211 IonicContact OD1-CZ 2.97Å; D209-R211 PolarHBondContact OD1-N 2.78Å; D209-R211 IonicContact OD1-NE 3.59Å; D209-R211 PolarHBondContact OD1-NE 2.68Å; D209-R211 IonicContact OD1-NH2 2.59Å; D209-R211 IonicContact OD2-CZ 2.69Å; D209-R211 VanDerWaalsContact OD2-CZ 3.27Å; D209-R211 IonicContact OD2-NE 3.05Å; D209-R211 PolarHBondContact OD2-NE 3.32Å; D209-R211 IonicContact OD2-NH2 3.21Å; D209-R211 PolarHBondContact OD2-NH2 3.23Å; R211-F216 HydrophobicContact CB-CE1 4.49Å; R211-F216 HydrophobicContact CG-CE1 4.3Å; R211-F216 HydrophobicContact CG-CZ 4.49Å
212	R	77.9	Confident	76.4	Confident	70 Å²	70	36.1 Å²	36.1	26%	0.264	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-93.6	-16.5	177.7	-62	-179.5	177.5	148.8	3.4	113.1	E152 D209 V210 I217	E152-R212 IonicContact OE1-CZ 2.77Å; E152-R212 IonicContact OE1-NH1 2.74Å; E152-R212 PolarHBondContact OE1-NH1 3.45Å; E152-R212 IonicContact OE1-NH2 3.3Å; E152-R212 PolarHBondContact OE1-NH2 3.49Å; E152-R212 IonicContact OE2-CZ 3.26Å; E152-R212 IonicContact OE2-NH2 2.71Å; E152-R212 PolarHBondContact OE2-NH2 3.15Å; D209-R212 HydrophobicContact CB-CG 4.24Å; D209-R212 PolarHBondContact O-N 3.19Å; V210-R212 PolarHBondContact O-N 2.69Å; V210-R212 VanDerWaalsContact O-N 3.13Å; R212-I217 WeakPolarHBondContact O-CD1 3.13Å
213	R	79.5	Confident	77.1	Confident	12 Å²	12	31.5 Å²	31.5	5%	0.045	16%	0.157	C	C	.	.	S	Bend	trans	-76.4	138	-178.1	-62.9	-64.4	-178.3	-128.7	-0.5	111	F208 V210 W215 F216 I217 H448 D525 D526	F208-R213 HydrophobicContact CE2-CG 4.26Å; V210-R213 PolarHBondContact O-N 2.62Å; R213-W215 VanDerWaalsContact C-N 3.29Å; R213-W215 HydrophobicContact CB-CD2 4.27Å; R213-W215 HydrophobicContact CB-CG 4.32Å; R213-W215 HydrophobicContact CB-CZ2 4.19Å; R213-W215 HydrophobicContact CG-CZ2 4.36Å; R213-W215 PolarHBondContact O-N 3.01Å; R213-F216 WeakPolarHBondContact O-CA 3.25Å; R213-F216 WeakPolarHBondContact O-CB 3.32Å; R213-F216 PolarHBondContact O-N 2.85Å; R213-I217 PolarHBondContact O-N 2.8Å; R213-H448 PolarHBondContact NE-NE2 3.37Å; R213-H448 PolarHBondContact NH2-CE1 3.12Å; R213-D525 IonicContact CZ-OD1 3.96Å; R213-D525 PolarHBondContact NE-O 3.1Å; R213-D525 PolarHBondContact NH1-O 2.66Å; R213-D525 IonicContact NH1-OD1 2.69Å; R213-D525 PolarHBondContact NH1-OD1 3.07Å; R213-D525 IonicContact NH2-OD1 3.69Å; R213-D525 PolarHBondContact NH2-OD1 3.12Å; R213-D526 IonicContact NH1-OD1 3.72Å; R213-D526 PolarHBondContact NH1-OD1 2.87Å
214	S	76.8	Confident	78	Confident	17 Å²	17	27.4 Å²	27.4	12%	0.119	14%	0.138	C	C	.	.	H	α-helix	trans	-56.1	-38.4	-176.9	-50.3	0	0	0	0	114.3	F216 I217 Q218 D256 Y529	S214-F216 PolarHBondContact O-N 2.77Å; S214-I217 PolarHBondContact O-N 3.19Å; S214-Q218 WeakPolarHBondContact O-CB 3.43Å; S214-Q218 WeakPolarHBondContact O-CG 2.98Å; S214-Q218 PolarHBondContact O-N 3.37Å; S214-D256 WeakPolarHBondContact CB-OD1 3.33Å; S214-Y529 WeakPolarHBondContact CB-OH 3.33Å; S214-Y529 PolarHBondContact OG-OH 2.83Å
215	W	79.1	Confident	79	Confident	8 Å²	8	20.6 Å²	20.6	3%	0.03	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-32.6	175.9	57.7	-103.8	0	0	0	112.2	Y184 A186 L192 V210 R213 G219 H441 S444 V446	Y184-W215 HydrophobicContact CD2-CH2 4.5Å; Y184-W215 HydrophobicContact CD2-CZ3 4.42Å; Y184-W215 HydrophobicContact CE2-CE3 4.11Å; Y184-W215 HydrophobicContact CE2-CH2 4.02Å; Y184-W215 AromaticContact CE2-CZ3 3.58Å; Y184-W215 HydrophobicContact CE2-CZ3 3.58Å; A186-W215 HydrophobicContact CB-CH2 3.61Å; A186-W215 HydrophobicContact CB-CZ3 3.61Å; L192-W215 HydrophobicContact CD1-CH2 4.5Å; V210-W215 HydrophobicContact CB-CH2 3.77Å; V210-W215 HydrophobicContact CB-CZ2 4.2Å; V210-W215 HydrophobicContact CG1-CH2 3.61Å; V210-W215 HydrophobicContact CG1-CZ2 3.94Å; R213-W215 VanDerWaalsContact C-N 3.29Å; R213-W215 HydrophobicContact CB-CD2 4.27Å; R213-W215 HydrophobicContact CB-CG 4.32Å; R213-W215 HydrophobicContact CB-CZ2 4.19Å; R213-W215 HydrophobicContact CG-CZ2 4.36Å; R213-W215 PolarHBondContact O-N 3.01Å; W215-G219 WeakPolarHBondContact O-CA 3.48Å; W215-G219 PolarHBondContact O-N 2.88Å; W215-H441 HydrophobicContact CB-CB 3.96Å; W215-H441 VanDerWaalsContact CB-CD2 3.48Å; W215-H441 WeakPolarHBondContact CB-CD2 3.25Å; W215-H441 PolarHBondContact O-CE1 2.96Å; W215-H441 PolarHBondContact O-NE2 3.17Å; W215-S444 VanDerWaalsContact CD1-OG 3.22Å; W215-V446 HydrophobicContact CD2-CG2 4.29Å; W215-V446 HydrophobicContact CG-CG2 4.34Å; W215-V446 HydrophobicContact CH2-CG1 4.34Å; W215-V446 HydrophobicContact CZ2-CG1 3.91Å; W215-V446 HydrophobicContact CZ2-CG2 4.44Å
216	F	82	Confident	80	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-76.2	-41.6	173.5	-167.3	-83.7	0	0	0	112.1	A186 V210 R211 R213 S214 G219 S220 H419 F474 L477	A186-F216 HydrophobicContact CB-CD2 3.86Å; A186-F216 HydrophobicContact CB-CE2 3.94Å; A186-F216 WeakPolarHBondContact O-CE2 3.32Å; V210-F216 HydrophobicContact CB-CD2 4.2Å; V210-F216 HydrophobicContact CG2-CD2 4.27Å; V210-F216 HydrophobicContact CG2-CE2 4.32Å; V210-F216 WeakPolarHBondContact O-CB 3.41Å; V210-F216 WeakPolarHBondContact O-CG 3.19Å; R211-F216 HydrophobicContact CB-CE1 4.49Å; R211-F216 HydrophobicContact CG-CE1 4.3Å; R211-F216 HydrophobicContact CG-CZ 4.49Å; R213-F216 WeakPolarHBondContact O-CA 3.25Å; R213-F216 WeakPolarHBondContact O-CB 3.32Å; R213-F216 PolarHBondContact O-N 2.85Å; S214-F216 PolarHBondContact O-N 2.77Å; F216-G219 PolarHBondContact O-N 2.8Å; F216-S220 WeakPolarHBondContact O-CB 2.98Å; F216-S220 PolarHBondContact O-N 2.83Å; F216-S220 PolarHBondContact O-OG 3.3Å; F216-H419 AromaticContact CD1-NE2 3.37Å; F216-H419 WeakPolarHBondContact CD1-NE2 3.41Å; F216-H419 AromaticContact CE1-NE2 3.05Å; F216-H419 WeakPolarHBondContact CE1-NE2 3.48Å; F216-F474 HydrophobicContact CE1-CE1 4.42Å; F216-F474 AromaticContact CZ-CE1 3.97Å; F216-F474 HydrophobicContact CZ-CE1 3.97Å; F216-F474 HydrophobicContact CZ-CZ 4.17Å; F216-L477 HydrophobicContact CB-CD1 4.29Å; F216-L477 HydrophobicContact CD2-CD1 3.77Å; F216-L477 HydrophobicContact CE2-CD1 4.23Å; F216-L477 HydrophobicContact CG-CD1 4.03Å
217	I	79.1	Confident	80.9	Confident	4 Å²	4	15.4 Å²	15.4	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-51.7	-179	-63.4	160.8	0	0	0	110.4	R212 R213 S214 S221 A254 D256 H419	R212-I217 WeakPolarHBondContact O-CD1 3.13Å; R213-I217 PolarHBondContact O-N 2.8Å; S214-I217 PolarHBondContact O-N 3.19Å; I217-S221 PolarHBondContact O-N 2.88Å; I217-S221 PolarHBondContact O-OG 3.44Å; I217-A254 WeakPolarHBondContact CD1-O 3.23Å; I217-D256 HydrophobicContact CB-CB 4.36Å; I217-D256 HydrophobicContact CG2-CB 3.82Å; I217-H419 VanDerWaalsContact CA-CE1 3.49Å; I217-H419 WeakPolarHBondContact CA-CE1 3.32Å; I217-H419 WeakPolarHBondContact CG1-CE1 3.36Å
218	Q	77.5	Confident	81.8	Confident	36 Å²	36	10.4 Å²	10.4	17%	0.168	5%	0.046	C	C	.	.	H	α-helix	trans	-61.4	-44.4	173.8	-67.5	177.8	15.6	0	0	111.4	S214 S220 D256 H441 W1421	S214-Q218 WeakPolarHBondContact O-CB 3.43Å; S214-Q218 WeakPolarHBondContact O-CG 2.98Å; S214-Q218 PolarHBondContact O-N 3.37Å; Q218-S220 PolarHBondContact O-N 3.49Å; Q218-D256 HydrophobicContact CG-CB 4.13Å; Q218-D256 WeakPolarHBondContact CG-OD2 3.21Å; Q218-D256 PolarHBondContact NE2-OD1 3.24Å; Q218-D256 PolarHBondContact NE2-OD2 3.1Å; Q218-H441 PolarHBondContact OE1-CE1 3.11Å; Q218-H441 PolarHBondContact OE1-ND1 3.36Å; Q218-W1421 WeakPolarHBondContact O-CZ2 3.36Å
219	G	76.7	Confident	82.5	Confident	1 Å²	1	10.3 Å²	10.3	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-65.2	-38.1	-178.7	0	0	0	0	0	113.8	W215 F216	W215-G219 WeakPolarHBondContact O-CA 3.48Å; W215-G219 PolarHBondContact O-N 2.88Å; F216-G219 PolarHBondContact O-N 2.8Å
220	S	75.7	Confident	83.1	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-91.2	-7.3	-174.4	65	0	0	0	0	114.5	F216 Q218 H419	F216-S220 WeakPolarHBondContact O-CB 2.98Å; F216-S220 PolarHBondContact O-N 2.83Å; F216-S220 PolarHBondContact O-OG 3.3Å; Q218-S220 PolarHBondContact O-N 3.49Å; S220-H419 VanDerWaalsContact CB-NE2 3.33Å; S220-H419 WeakPolarHBondContact CB-NE2 3.49Å; S220-H419 PolarHBondContact OG-NE2 3.16Å
221	S	73.8	Confident	83.5	Confident	3 Å²	3	10.2 Å²	10.2	2%	0.021	5%	0.045	C	C	.	.			trans	-159.4	148.8	-167.9	75.3	0	0	0	0	116.9	I217 K224	I217-S221 PolarHBondContact O-N 2.88Å; I217-S221 PolarHBondContact O-OG 3.44Å; S221-K224 PolarHBondContact OG-NZ 3.18Å
222	V	75.1	Confident	84.1	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.			trans	-62.3	145.8	166.8	-87.6	0	0	0	0	112.5	K224 N346 W1421 L1423	V222-K224 PolarHBondContact O-NZ 3.49Å; V222-N346 HydrophobicContact CG2-CB 4.25Å; V222-N346 WeakPolarHBondContact CG2-ND2 3.43Å; V222-W1421 HydrophobicContact CB-CE3 4.44Å; V222-W1421 HydrophobicContact CG1-CB 3.95Å; V222-W1421 HydrophobicContact CG1-CD2 3.73Å; V222-W1421 HydrophobicContact CG1-CE3 3.41Å; V222-W1421 VanDerWaalsContact CG1-CE3 3.41Å; V222-W1421 HydrophobicContact CG1-CG 3.99Å; V222-W1421 HydrophobicContact CG1-CZ3 4.14Å; V222-L1423 HydrophobicContact CB-CD2 4.44Å; V222-L1423 HydrophobicContact CG1-CD2 3.89Å; V222-L1423 HydrophobicContact CG2-CD2 4.07Å
223	P	81.5	Confident	84.7	Confident	6 Å²	6	4.9 Å²	4.9	4%	0.039	3%	0.026	C	C	.	.			trans	-57	147	170.6	-27.5	36.2	0	0	0	113.8	D258 D259 R345 N346	P223-D258 HydrophobicContact CB-CB 4.24Å; P223-D258 HydrophobicContact CG-CB 4Å; P223-D259 WeakPolarHBondContact CA-OD1 3.48Å; P223-R345 WeakPolarHBondContact O-CA 3.5Å; P223-N346 PolarHBondContact O-N 2.96Å
224	K	85.7	Confident	85.1	Confident	5 Å²	5	5.9 Å²	5.9	2%	0.022	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151	-167.7	-69.3	161.5	-84.7	-62.7	0	111.8	S221 V222 D259 Y260 R345 N346 I348	S221-K224 PolarHBondContact OG-NZ 3.18Å; V222-K224 PolarHBondContact O-NZ 3.49Å; K224-D259 HydrophobicContact CB-CB 4.49Å; K224-D259 WeakPolarHBondContact CB-OD1 3.42Å; K224-D259 WeakPolarHBondContact CE-OD1 3.1Å; K224-D259 VanDerWaalsContact CE-OD2 3.27Å; K224-D259 WeakPolarHBondContact CE-OD2 3.32Å; K224-D259 PolarHBondContact N-OD1 2.86Å; K224-D259 IonicContact NZ-OD1 3.49Å; K224-D259 IonicContact NZ-OD2 3.81Å; K224-Y260 PolarHBondContact O-N 3.21Å; K224-R345 PolarHBondContact O-NH1 2.86Å; K224-N346 WeakPolarHBondContact CA-O 3.11Å; K224-N346 HydrophobicContact CG-CB 4.14Å; K224-I348 HydrophobicContact CB-CD1 4.3Å; K224-I348 HydrophobicContact CD-CD1 3.78Å; K224-I348 HydrophobicContact CG-CD1 3.76Å
225	D	88.6	Confident	85.5	Confident	7 Å²	7	8.3 Å²	8.3	4%	0.037	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	98.4	160.6	-72.7	-59.2	0	0	0	107	Y260 F292 F329 L332 R340 R345 N346 K347 I348	D225-Y260 WeakPolarHBondContact CA-O 3.29Å; D225-F292 HydrophobicContact CB-CD1 4.27Å; D225-F292 HydrophobicContact CB-CE1 3.97Å; D225-F329 HydrophobicContact CB-CE1 4.02Å; D225-F329 WeakPolarHBondContact O-CE1 3.4Å; D225-L332 HydrophobicContact CB-CD1 4.44Å; D225-R340 IonicContact OD1-CZ 3.46Å; D225-R340 IonicContact OD1-NH1 2.68Å; D225-R340 PolarHBondContact OD1-NH1 3.31Å; D225-R340 IonicContact OD1-NH2 2.77Å; D225-R340 IonicContact OD2-NH1 3.47Å; D225-R345 WeakPolarHBondContact OD2-CB 3.43Å; D225-R345 VanDerWaalsContact OD2-CD 3.31Å; D225-R345 WeakPolarHBondContact OD2-CD 3.42Å; D225-N346 PolarHBondContact N-O 3Å; D225-K347 HydrophobicContact CB-CG 4.39Å; D225-I348 PolarHBondContact O-N 2.79Å
226	L	92.7	Very high	86.1	Confident	0 Å²	0	8 Å²	8	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.5	-179.1	-179.8	64.5	0	0	0	111	I228 I252 L255 Y260 F261 T262 F292 I348 V350 F418	L226-I228 HydrophobicContact CD1-CG1 4.38Å; L226-I228 HydrophobicContact CD2-CD1 4.05Å; L226-I228 HydrophobicContact CD2-CG1 4.04Å; L226-I228 HydrophobicContact CG-CG1 4.01Å; L226-I252 HydrophobicContact CD2-CG1 4.24Å; L226-L255 HydrophobicContact CB-CD1 4.39Å; L226-L255 HydrophobicContact CD2-CD1 3.97Å; L226-L255 HydrophobicContact CD2-CD2 4.25Å; L226-L255 HydrophobicContact CD2-CG 4.43Å; L226-Y260 PolarHBondContact N-O 2.96Å; L226-F261 CarbonylContact O-C 3.58Å; L226-F261 VanDerWaalsContact O-CA 3.28Å; L226-F261 WeakPolarHBondContact O-CA 3.3Å; L226-T262 PolarHBondContact O-N 2.95Å; L226-F292 WeakPolarHBondContact O-CE1 3.49Å; L226-I348 HydrophobicContact CD1-CB 4.14Å; L226-I348 HydrophobicContact CD1-CG2 3.92Å; L226-V350 HydrophobicContact CD1-CB 4.45Å; L226-V350 HydrophobicContact CD1-CG2 3.65Å; L226-F418 HydrophobicContact CD1-CE2 4.15Å; L226-F418 HydrophobicContact CD1-CZ 4.18Å
227	F	94.8	Very high	86.4	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123	167.3	-165.4	111.2	0	0	0	108.6	L229 T262 A264 F292 F324 A325 M328 F329 I348 L349 V350	F227-L229 HydrophobicContact CD2-CG 4.07Å; F227-L229 HydrophobicContact CE2-CD2 3.69Å; F227-L229 HydrophobicContact CE2-CG 3.7Å; F227-L229 HydrophobicContact CZ-CD2 4.46Å; F227-T262 HydrophobicContact CB-CG2 4.37Å; F227-T262 HydrophobicContact CD1-CG2 3.23Å; F227-T262 HydrophobicContact CE1-CG2 3.46Å; F227-T262 VanDerWaalsContact CE1-CG2 3.46Å; F227-T262 HydrophobicContact CG-CG2 3.85Å; F227-T262 HydrophobicContact CZ-CG2 4.23Å; F227-A264 HydrophobicContact CE2-CB 3.85Å; F227-A264 HydrophobicContact CZ-CB 3.65Å; F227-F292 HydrophobicContact CB-CE1 4.17Å; F227-F292 HydrophobicContact CB-CZ 3.86Å; F227-F292 AromaticContact CD1-CE2 3.82Å; F227-F292 HydrophobicContact CD1-CE2 3.82Å; F227-F292 AromaticContact CD1-CZ 3.62Å; F227-F292 HydrophobicContact CD1-CZ 3.62Å; F227-F292 HydrophobicContact CE1-CE2 4.49Å; F227-F292 HydrophobicContact CG-CZ 4.24Å; F227-F324 HydrophobicContact CZ-CD1 4.01Å; F227-F324 AromaticContact CZ-CE1 3.9Å; F227-F324 HydrophobicContact CZ-CE1 3.9Å; F227-A325 HydrophobicContact CD1-CB 4.34Å; F227-A325 HydrophobicContact CD2-CB 3.89Å; F227-A325 HydrophobicContact CE1-CB 4.24Å; F227-A325 HydrophobicContact CE2-CB 3.79Å; F227-A325 HydrophobicContact CG-CB 4.21Å; F227-A325 HydrophobicContact CZ-CB 3.97Å; F227-M328 HydrophobicContact CD1-CB 4.21Å; F227-M328 HydrophobicContact CE1-CB 3.7Å; F227-M328 HydrophobicContact CE1-CE 4.22Å; F227-M328 HydrophobicContact CE1-CG 3.91Å; F227-F329 HydrophobicContact CB-CE2 3.53Å; F227-F329 HydrophobicContact CB-CZ 3.53Å; F227-F329 HydrophobicContact CG-CE2 4.25Å; F227-I348 PolarHBondContact N-O 3.03Å; F227-L349 HydrophobicContact CB-CD1 3.98Å; F227-L349 HydrophobicContact CD2-CD1 3.64Å; F227-L349 HydrophobicContact CG-CD1 4.07Å; F227-V350 PolarHBondContact O-N 3.31Å
228	I	95.9	Very high	86.8	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.5	170	-50.4	-171.4	0	0	0	109.5	L226 A248 L251 I252 T262 V263 A264 V350 L352	L226-I228 HydrophobicContact CD1-CG1 4.38Å; L226-I228 HydrophobicContact CD2-CD1 4.05Å; L226-I228 HydrophobicContact CD2-CG1 4.04Å; L226-I228 HydrophobicContact CG-CG1 4.01Å; I228-A248 HydrophobicContact CD1-CB 3.99Å; I228-A248 HydrophobicContact CG2-CB 4.44Å; I228-L251 HydrophobicContact CD1-CB 4.21Å; I228-L251 HydrophobicContact CD1-CD1 4.17Å; I228-I252 HydrophobicContact CD1-CD1 3.79Å; I228-I252 HydrophobicContact CD1-CG1 3.96Å; I228-T262 PolarHBondContact N-O 2.67Å; I228-V263 HydrophobicContact CB-CB 4.41Å; I228-V263 HydrophobicContact CB-CG1 4.03Å; I228-V263 HydrophobicContact CB-CG2 4Å; I228-V263 HydrophobicContact CD1-CG2 4.33Å; I228-V263 HydrophobicContact CG1-CG2 4.27Å; I228-V263 HydrophobicContact CG2-CG1 4.32Å; I228-V263 WeakPolarHBondContact O-CA 3.45Å; I228-A264 PolarHBondContact O-N 2.85Å; I228-V350 CarbonylContact C-O 3.55Å; I228-V350 WeakPolarHBondContact CA-O 3.47Å; I228-V350 HydrophobicContact CG1-CB 4.32Å; I228-V350 HydrophobicContact CG2-CG1 4.42Å; I228-L352 HydrophobicContact CG2-CD1 3.79Å
229	L	94.4	Very high	87.2	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.1	162.2	-80.6	173.9	0	0	0	108.8	F227 A264 F266 S321 L322 A325 L349 V350 L351 L352	F227-L229 HydrophobicContact CD2-CG 4.07Å; F227-L229 HydrophobicContact CE2-CD2 3.69Å; F227-L229 HydrophobicContact CE2-CG 3.7Å; F227-L229 HydrophobicContact CZ-CD2 4.46Å; L229-A264 WeakPolarHBondContact CA-O 3.44Å; L229-F266 HydrophobicContact CB-CE1 4.08Å; L229-F266 HydrophobicContact CD2-CD1 4.17Å; L229-S321 WeakPolarHBondContact CD1-O 3.34Å; L229-L322 HydrophobicContact CD1-CD2 4.26Å; L229-A325 HydrophobicContact CD1-CB 4.01Å; L229-A325 HydrophobicContact CG-CB 4.25Å; L229-L349 HydrophobicContact CD1-CD1 4.02Å; L229-L349 HydrophobicContact CG-CD1 4.11Å; L229-V350 PolarHBondContact N-O 3.39Å; L229-L351 HydrophobicContact CB-CD1 3.62Å; L229-L351 HydrophobicContact CD1-CD1 4.26Å; L229-L351 WeakPolarHBondContact O-CA 3.21Å; L229-L352 PolarHBondContact O-N 3.19Å
230	L	94.3	Very high	87.8	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.1	-176.3	-146.2	157.8	0	0	0	109.5	T232 L241 A244 A248 V263 A264 H265 F266 L307 L352	L230-T232 HydrophobicContact CD2-CG2 4.23Å; L230-T232 PolarHBondContact O-N 3.34Å; L230-L241 HydrophobicContact CD2-CD1 3.97Å; L230-A244 HydrophobicContact CD2-CB 3.78Å; L230-A244 HydrophobicContact CG-CB 4.34Å; L230-A248 HydrophobicContact CD1-CB 3.91Å; L230-V263 HydrophobicContact CB-CG1 4.44Å; L230-V263 HydrophobicContact CD1-CG1 4.29Å; L230-A264 PolarHBondContact N-O 3.08Å; L230-H265 WeakPolarHBondContact O-CA 3.48Å; L230-H265 WeakPolarHBondContact O-CB 3.34Å; L230-F266 PolarHBondContact O-N 3.22Å; L230-L307 HydrophobicContact CD1-CD2 3.83Å; L230-L352 HydrophobicContact CG-CD1 4.48Å
231	D	92.9	Very high	88.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.1	176.6	-162	-32.3	0	0	0	109.5	S233 M236 F266 L352 T353	D231-S233 WeakPolarHBondContact OD1-CB 3.46Å; D231-S233 PolarHBondContact OD1-N 3.34Å; D231-S233 PolarHBondContact OD1-OG 2.89Å; D231-M236 HydrophobicContact CB-CE 4.3Å; D231-M236 HydrophobicContact CB-CG 3.99Å; D231-M236 HydrophobicContact CB-SD 4.26Å; D231-M236 VanDerWaalsContact O-CE 3.32Å; D231-M236 WeakPolarHBondContact O-CE 3.22Å; D231-M236 WeakPolarHBondContact O-CG 3.33Å; D231-F266 HydrophobicContact CB-CE1 4.17Å; D231-F266 HydrophobicContact CB-CE2 4.24Å; D231-F266 HydrophobicContact CB-CZ 3.7Å; D231-L352 WeakPolarHBondContact CB-O 3.45Å; D231-L352 PolarHBondContact N-O 2.98Å; D231-T353 WeakPolarHBondContact OD2-CB 3.05Å; D231-T353 PolarHBondContact OD2-OG1 3.4Å
232	T	91.5	Very high	89.2	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.182	C	C	.	.			trans	-125.6	20.6	177.5	50.7	0	0	0	0	110.9	L230 L241 H265 F266 P267 A312 R313	L230-T232 HydrophobicContact CD2-CG2 4.23Å; L230-T232 PolarHBondContact O-N 3.34Å; T232-L241 HydrophobicContact CG2-CD1 4.06Å; T232-H265 HydrophobicContact CG2-CB 3.83Å; T232-H265 PolarHBondContact OG1-ND1 3.3Å; T232-F266 WeakPolarHBondContact CA-O 3.38Å; T232-F266 PolarHBondContact N-O 2.77Å; T232-F266 VanDerWaalsContact OG1-C 3.27Å; T232-F266 PolarHBondContact OG1-O 2.97Å; T232-P267 PolarHBondContact OG1-O 3.31Å; T232-A312 CarbonylContact O-C 3.49Å; T232-A312 VanDerWaalsContact O-CA 3.26Å; T232-A312 WeakPolarHBondContact O-CA 3.49Å; T232-R313 PolarHBondContact O-N 2.91Å
233	S	90.3	Very high	89.9	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.014	19%	0.186	C	C	.	.	S	Bend	trans	-62.4	163	173.5	64.6	0	0	0	0	112.3	D231 S235 M236 R313	D231-S233 WeakPolarHBondContact OD1-CB 3.46Å; D231-S233 PolarHBondContact OD1-N 3.34Å; D231-S233 PolarHBondContact OD1-OG 2.89Å; S233-S235 PolarHBondContact O-N 3.3Å; S233-S235 VanDerWaalsContact O-N 3.1Å; S233-S235 PolarHBondContact OG-OG 3.31Å; S233-M236 WeakPolarHBondContact O-CB 3.39Å; S233-M236 PolarHBondContact O-N 3.37Å; S233-R313 CarbonylContact C-O 3.57Å; S233-R313 WeakPolarHBondContact CA-O 3.15Å
234	G	88.1	Confident	90.4	Very high	33 Å²	33	31.1 Å²	31.1	34%	0.34	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-58.9	-25.3	-174.7	0	0	0	0	0	115.3	M236 T237 R313 G314	G234-M236 VanDerWaalsContact C-N 3.31Å; G234-M236 PolarHBondContact O-N 3.24Å; G234-T237 WeakPolarHBondContact O-CB 3.11Å; G234-T237 PolarHBondContact O-N 2.7Å; G234-T237 PolarHBondContact O-OG1 2.91Å; G234-R313 PolarHBondContact N-O 3.49Å; G234-G314 PolarHBondContact N-O 3.02Å
235	S	86.2	Confident	90.7	Very high	68 Å²	68	32.2 Å²	32.2	48%	0.476	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-72.3	-22.7	176.5	56.9	0	0	0	0	113.4	S233 T237 D354	S233-S235 PolarHBondContact O-N 3.3Å; S233-S235 VanDerWaalsContact O-N 3.1Å; S233-S235 PolarHBondContact OG-OG 3.31Å; S235-T237 PolarHBondContact O-N 2.85Å; S235-D354 VanDerWaalsContact C-OD2 3.27Å; S235-D354 WeakPolarHBondContact CB-OD2 3.11Å; S235-D354 PolarHBondContact OG-OD2 2.94Å
236	M	90.6	Very high	90.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-71.4	-6.5	176.5	-69.6	-71.4	-72.6	0	0	113.8	D231 S233 G234 G238 L241 A244 A312 D354 L381	D231-M236 HydrophobicContact CB-CE 4.3Å; D231-M236 HydrophobicContact CB-CG 3.99Å; D231-M236 HydrophobicContact CB-SD 4.26Å; D231-M236 VanDerWaalsContact O-CE 3.32Å; D231-M236 WeakPolarHBondContact O-CE 3.22Å; D231-M236 WeakPolarHBondContact O-CG 3.33Å; S233-M236 WeakPolarHBondContact O-CB 3.39Å; S233-M236 PolarHBondContact O-N 3.37Å; G234-M236 VanDerWaalsContact C-N 3.31Å; G234-M236 PolarHBondContact O-N 3.24Å; M236-G238 PolarHBondContact O-N 2.9Å; M236-L241 HydrophobicContact CB-CB 4.43Å; M236-L241 VanDerWaalsContact O-CB 3.22Å; M236-L241 WeakPolarHBondContact O-CB 3.44Å; M236-L241 PolarHBondContact O-N 2.91Å; M236-A244 HydrophobicContact CE-CB 3.69Å; M236-A312 HydrophobicContact CB-CB 4.35Å; M236-D354 HydrophobicContact SD-CB 3.65Å; M236-L381 HydrophobicContact CE-CD1 4.02Å
237	T	88.8	Confident	90.7	Very high	96 Å²	96	34.2 Å²	34.2	59%	0.589	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	128	-174.7	-57.5	0	0	0	0	112.9	G234 S235 A312	G234-T237 WeakPolarHBondContact O-CB 3.11Å; G234-T237 PolarHBondContact O-N 2.7Å; G234-T237 PolarHBondContact O-OG1 2.91Å; S235-T237 PolarHBondContact O-N 2.85Å; T237-A312 WeakPolarHBondContact OG1-CB 3.44Å
238	G	87.2	Confident	90.7	Very high	51 Å²	51	34.2 Å²	34.2	53%	0.526	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-118.4	177.5	0	0	0	0	0	113	M236 K242	M236-G238 PolarHBondContact O-N 2.9Å; G238-K242 PolarHBondContact O-N 2.74Å
239	Q	86.2	Confident	90.5	Very high	177 Å²	177	36.1 Å²	36.1	83%	0.827	21%	0.209	S	C	*	.	H	α-helix	trans	-67.6	-39	-170.3	-67	-170.7	3.5	0	0	113.1	K242 L243	Q239-K242 PolarHBondContact O-N 2.99Å; Q239-L243 WeakPolarHBondContact O-CB 3.35Å; Q239-L243 PolarHBondContact O-N 3.37Å
240	S	89	Confident	90.1	Very high	22 Å²	22	39.4 Å²	39.4	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-46.8	-177.1	-49.7	0	0	0	0	112.2	K242 L243 A244	S240-K242 PolarHBondContact O-N 3.05Å; S240-L243 PolarHBondContact O-N 2.9Å; S240-A244 WeakPolarHBondContact O-CB 3.28Å; S240-A244 PolarHBondContact O-N 2.83Å
241	L	90.3	Very high	89.9	Confident	22 Å²	22	39.3 Å²	39.3	12%	0.115	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-39.5	174.9	-179.5	60.2	0	0	0	112.4	L230 T232 M236 L243 A244 N245 A312	L230-L241 HydrophobicContact CD2-CD1 3.97Å; T232-L241 HydrophobicContact CG2-CD1 4.06Å; M236-L241 HydrophobicContact CB-CB 4.43Å; M236-L241 VanDerWaalsContact O-CB 3.22Å; M236-L241 WeakPolarHBondContact O-CB 3.44Å; M236-L241 PolarHBondContact O-N 2.91Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L241-L243 PolarHBondContact O-N 3.19Å; L241-A244 PolarHBondContact O-N 2.74Å; L241-N245 WeakPolarHBondContact O-CB 3.09Å; L241-N245 PolarHBondContact O-N 2.91Å; L241-A312 HydrophobicContact CD2-CB 4.14Å
242	K	89.6	Confident	89.9	Confident	155 Å²	155	39.3 Å²	39.3	67%	0.674	22%	0.223	S	C	*	.	H	α-helix	trans	-65.3	-38.3	176.5	-169.5	170	-177.5	172.1	0	111.8	G238 Q239 S240 L246	G238-K242 PolarHBondContact O-N 2.74Å; Q239-K242 PolarHBondContact O-N 2.99Å; S240-K242 PolarHBondContact O-N 3.05Å; K242-L246 WeakPolarHBondContact O-CB 3.27Å; K242-L246 PolarHBondContact O-N 2.99Å; K242-L246 VanDerWaalsContact O-N 3.13Å
243	L	89.9	Confident	89.6	Confident	14 Å²	14	43 Å²	43	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-70.1	-37.8	174.4	-174.4	61.5	0	0	0	112	Q239 S240 L241 S247 L381 L405 V408 V411	Q239-L243 WeakPolarHBondContact O-CB 3.35Å; Q239-L243 PolarHBondContact O-N 3.37Å; S240-L243 PolarHBondContact O-N 2.9Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L241-L243 PolarHBondContact O-N 3.19Å; L243-S247 VanDerWaalsContact O-CB 3.27Å; L243-S247 WeakPolarHBondContact O-CB 3.49Å; L243-S247 PolarHBondContact O-N 3.09Å; L243-S247 PolarHBondContact O-OG 2.81Å; L243-L381 HydrophobicContact CD2-CB 4.45Å; L243-L381 HydrophobicContact CD2-CD2 4.17Å; L243-L381 HydrophobicContact CG-CD2 4.29Å; L243-L405 WeakPolarHBondContact CD2-O 3.48Å; L243-V408 HydrophobicContact CD1-CG2 4.11Å; L243-V411 HydrophobicContact CD1-CG2 3.8Å
244	A	91.6	Very high	89.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-47.9	175.5	0	0	0	0	0	111.8	L230 M236 S240 L241 S247 A248 L352 L381	L230-A244 HydrophobicContact CD2-CB 3.78Å; L230-A244 HydrophobicContact CG-CB 4.34Å; M236-A244 HydrophobicContact CE-CB 3.69Å; S240-A244 WeakPolarHBondContact O-CB 3.28Å; S240-A244 PolarHBondContact O-N 2.83Å; L241-A244 PolarHBondContact O-N 2.74Å; A244-S247 PolarHBondContact O-N 3.06Å; A244-A248 WeakPolarHBondContact O-CB 3.39Å; A244-A248 PolarHBondContact O-N 2.7Å; A244-L352 HydrophobicContact CB-CB 4.38Å; A244-L381 HydrophobicContact CB-CD1 3.52Å
245	N	91.4	Very high	89.1	Confident	27 Å²	27	42.4 Å²	42.4	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-51.9	176.3	-174.2	-9.8	0	0	0	110.7	L241 S247 A248 Q249 L307	L241-N245 WeakPolarHBondContact O-CB 3.09Å; L241-N245 PolarHBondContact O-N 2.91Å; N245-S247 VanDerWaalsContact C-N 3.28Å; N245-S247 PolarHBondContact O-N 2.86Å; N245-A248 PolarHBondContact O-N 2.8Å; N245-A248 VanDerWaalsContact O-N 3.13Å; N245-Q249 WeakPolarHBondContact O-CG 3.34Å; N245-Q249 PolarHBondContact O-N 2.73Å; N245-Q249 PolarHBondContact OD1-NE2 2.97Å; N245-L307 PolarHBondContact ND2-O 3.26Å; N245-L307 WeakPolarHBondContact OD1-CB 3.38Å
246	L	90.5	Very high	89	Confident	49 Å²	49	39.3 Å²	39.3	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-60	-36.5	177.3	-177.2	61.6	0	0	0	113	K242 K250 V408	K242-L246 WeakPolarHBondContact O-CB 3.27Å; K242-L246 PolarHBondContact O-N 2.99Å; K242-L246 VanDerWaalsContact O-N 3.13Å; L246-K250 HydrophobicContact CD1-CG 4.4Å; L246-K250 WeakPolarHBondContact O-CB 3.38Å; L246-K250 WeakPolarHBondContact O-CG 2.95Å; L246-K250 PolarHBondContact O-N 3.41Å; L246-V408 HydrophobicContact CD2-CB 4.42Å; L246-V408 HydrophobicContact CD2-CG1 3.64Å; L246-V408 HydrophobicContact CD2-CG2 4.1Å
247	S	91.4	Very high	88.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-41.8	175.7	-60.4	0	0	0	0	111.9	L243 A244 N245 K250 L251	L243-S247 VanDerWaalsContact O-CB 3.27Å; L243-S247 WeakPolarHBondContact O-CB 3.49Å; L243-S247 PolarHBondContact O-N 3.09Å; L243-S247 PolarHBondContact O-OG 2.81Å; A244-S247 PolarHBondContact O-N 3.06Å; N245-S247 VanDerWaalsContact C-N 3.28Å; N245-S247 PolarHBondContact O-N 2.86Å; S247-K250 PolarHBondContact O-N 2.86Å; S247-L251 WeakPolarHBondContact O-CB 3.34Å; S247-L251 VanDerWaalsContact O-CG 3.3Å; S247-L251 WeakPolarHBondContact O-CG 3.41Å; S247-L251 PolarHBondContact O-N 3.38Å
248	A	93.6	Very high	88.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-42.9	175.3	0	0	0	0	0	111.9	I228 L230 A244 N245 L251 I252 L307 L352	I228-A248 HydrophobicContact CD1-CB 3.99Å; I228-A248 HydrophobicContact CG2-CB 4.44Å; L230-A248 HydrophobicContact CD1-CB 3.91Å; A244-A248 WeakPolarHBondContact O-CB 3.39Å; A244-A248 PolarHBondContact O-N 2.7Å; N245-A248 PolarHBondContact O-N 2.8Å; N245-A248 VanDerWaalsContact O-N 3.13Å; A248-L251 PolarHBondContact O-N 2.93Å; A248-I252 WeakPolarHBondContact O-CB 3.46Å; A248-I252 WeakPolarHBondContact O-CG1 3.4Å; A248-I252 PolarHBondContact O-N 2.88Å; A248-I252 VanDerWaalsContact O-N 3.08Å; A248-L307 HydrophobicContact CB-CD1 4.47Å; A248-L352 HydrophobicContact CB-CD1 3.96Å
249	Q	92.2	Very high	88.5	Confident	41 Å²	41	33.5 Å²	33.5	19%	0.192	16%	0.163	C	C	.	.	H	α-helix	trans	-56.7	-51.1	173.3	-72.7	176.4	-14.9	0	0	110.8	N245 L251 I252 E253 F304 L307	N245-Q249 WeakPolarHBondContact O-CG 3.34Å; N245-Q249 PolarHBondContact O-N 2.73Å; N245-Q249 PolarHBondContact OD1-NE2 2.97Å; Q249-L251 PolarHBondContact O-N 2.71Å; Q249-I252 PolarHBondContact O-N 2.86Å; Q249-I252 VanDerWaalsContact O-N 3.09Å; Q249-E253 WeakPolarHBondContact O-CG 3.3Å; Q249-E253 PolarHBondContact O-N 3.12Å; Q249-F304 HydrophobicContact CB-CD1 4.4Å; Q249-F304 HydrophobicContact CB-CE1 4.22Å; Q249-F304 HydrophobicContact CB-CZ 4.42Å; Q249-F304 HydrophobicContact CG-CD1 3.84Å; Q249-F304 HydrophobicContact CG-CE1 4.15Å; Q249-F304 HydrophobicContact CG-CG 4.12Å; Q249-L307 HydrophobicContact CG-CD1 4.3Å
250	K	87.5	Confident	88.7	Confident	68 Å²	68	25.3 Å²	25.3	30%	0.296	13%	0.125	S	C	.	.	H	α-helix	trans	-63.9	-37.9	179.8	-69.6	-71.1	166.7	-136.1	0	113.5	L246 S247 I252 E253 A254 V411 M415	L246-K250 HydrophobicContact CD1-CG 4.4Å; L246-K250 WeakPolarHBondContact O-CB 3.38Å; L246-K250 WeakPolarHBondContact O-CG 2.95Å; L246-K250 PolarHBondContact O-N 3.41Å; S247-K250 PolarHBondContact O-N 2.86Å; K250-I252 VanDerWaalsContact C-N 3.27Å; K250-I252 PolarHBondContact O-N 2.79Å; K250-E253 WeakPolarHBondContact CD-OE2 3.29Å; K250-E253 IonicContact NZ-OE1 2.73Å; K250-E253 PolarHBondContact NZ-OE1 3.19Å; K250-E253 IonicContact NZ-OE2 3.19Å; K250-E253 PolarHBondContact NZ-OE2 3.33Å; K250-A254 PolarHBondContact O-N 3.33Å; K250-V411 HydrophobicContact CB-CG1 3.9Å; K250-V411 HydrophobicContact CG-CG1 3.81Å; K250-M415 HydrophobicContact CB-CE 4.11Å; K250-M415 HydrophobicContact CB-SD 4.19Å; K250-M415 VanDerWaalsContact O-SD 3.33Å
251	L	89.7	Confident	89	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-34.1	172.9	-76.2	165.7	0	0	0	112.9	I228 S247 A248 Q249 V350 L414 M415 F418	I228-L251 HydrophobicContact CD1-CB 4.21Å; I228-L251 HydrophobicContact CD1-CD1 4.17Å; S247-L251 WeakPolarHBondContact O-CB 3.34Å; S247-L251 VanDerWaalsContact O-CG 3.3Å; S247-L251 WeakPolarHBondContact O-CG 3.41Å; S247-L251 PolarHBondContact O-N 3.38Å; A248-L251 PolarHBondContact O-N 2.93Å; Q249-L251 PolarHBondContact O-N 2.71Å; L251-V350 HydrophobicContact CD1-CG1 3.89Å; L251-V350 HydrophobicContact CD1-CG2 4.4Å; L251-L414 HydrophobicContact CD1-CD2 4.4Å; L251-L414 HydrophobicContact CD2-CD1 4.35Å; L251-L414 HydrophobicContact CD2-CG 4.42Å; L251-L414 HydrophobicContact CG-CD2 4.2Å; L251-M415 HydrophobicContact CB-CE 4.37Å; L251-M415 HydrophobicContact CD2-CE 3.57Å; L251-M415 HydrophobicContact CG-CE 3.74Å; L251-F418 HydrophobicContact CD2-CB 3.91Å; L251-F418 HydrophobicContact CD2-CD1 3.75Å; L251-F418 HydrophobicContact CD2-CD2 3.53Å; L251-F418 HydrophobicContact CD2-CE1 4.11Å; L251-F418 HydrophobicContact CD2-CE2 3.89Å; L251-F418 HydrophobicContact CD2-CG 3.44Å; L251-F418 VanDerWaalsContact CD2-CG 3.44Å; L251-F418 HydrophobicContact CD2-CZ 4.17Å
252	I	91.5	Very high	89.1	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-90	-29.7	-176.1	-69.1	174.1	0	0	0	112.1	L226 I228 A248 Q249 K250 A254 L255 F261 V263 K300 L303 F304	L226-I252 HydrophobicContact CD2-CG1 4.24Å; I228-I252 HydrophobicContact CD1-CD1 3.79Å; I228-I252 HydrophobicContact CD1-CG1 3.96Å; A248-I252 WeakPolarHBondContact O-CB 3.46Å; A248-I252 WeakPolarHBondContact O-CG1 3.4Å; A248-I252 PolarHBondContact O-N 2.88Å; A248-I252 VanDerWaalsContact O-N 3.08Å; Q249-I252 PolarHBondContact O-N 2.86Å; Q249-I252 VanDerWaalsContact O-N 3.09Å; K250-I252 VanDerWaalsContact C-N 3.27Å; K250-I252 PolarHBondContact O-N 2.79Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 2.98Å; I252-L255 HydrophobicContact CG1-CD1 4.4Å; I252-L255 PolarHBondContact O-N 3.49Å; I252-F261 HydrophobicContact CD1-CD2 4.36Å; I252-F261 HydrophobicContact CD1-CG 4.4Å; I252-F261 HydrophobicContact CG2-CD1 3.91Å; I252-F261 HydrophobicContact CG2-CE1 4Å; I252-F261 HydrophobicContact CG2-CG 4.34Å; I252-V263 HydrophobicContact CD1-CG2 3.56Å; I252-K300 HydrophobicContact CG2-CB 4.36Å; I252-K300 HydrophobicContact CG2-CD 4.4Å; I252-K300 HydrophobicContact CG2-CG 3.87Å; I252-K300 WeakPolarHBondContact O-CD 3.38Å; I252-K300 WeakPolarHBondContact O-CE 3.4Å; I252-K300 PolarHBondContact O-NZ 3.49Å; I252-L303 HydrophobicContact CD1-CD2 3.33Å; I252-L303 HydrophobicContact CG2-CD2 4.46Å; I252-F304 HydrophobicContact CB-CE1 3.91Å; I252-F304 HydrophobicContact CB-CZ 4.26Å; I252-F304 HydrophobicContact CG2-CE1 3.65Å; I252-F304 HydrophobicContact CG2-CZ 3.99Å
253	E	85.6	Confident	89.4	Confident	78 Å²	78	16.1 Å²	16.1	36%	0.364	8%	0.081	S	C	.	.	H	α-helix	trans	-53.8	-48.2	164.5	-77.5	175.8	-156.1	0	0	110.4	Q249 K250 L255 K300 F304	Q249-E253 WeakPolarHBondContact O-CG 3.3Å; Q249-E253 PolarHBondContact O-N 3.12Å; K250-E253 WeakPolarHBondContact CD-OE2 3.29Å; K250-E253 IonicContact NZ-OE1 2.73Å; K250-E253 PolarHBondContact NZ-OE1 3.19Å; K250-E253 IonicContact NZ-OE2 3.19Å; K250-E253 PolarHBondContact NZ-OE2 3.33Å; E253-L255 PolarHBondContact O-N 3.37Å; E253-L255 VanDerWaalsContact O-N 3.09Å; E253-K300 PolarHBondContact O-NZ 2.32Å; E253-F304 HydrophobicContact CG-CE2 3.89Å; E253-F304 HydrophobicContact CG-CZ 3.86Å
254	A	82.3	Confident	89.5	Confident	19 Å²	19	15.4 Å²	15.4	16%	0.157	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	12.1	-177.5	0	0	0	0	0	116	I217 K250 I252 M415	I217-A254 WeakPolarHBondContact CD1-O 3.23Å; K250-A254 PolarHBondContact O-N 3.33Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 2.98Å; A254-M415 HydrophobicContact CB-SD 3.98Å
255	L	86.7	Confident	89.5	Confident	3 Å²	3	16.1 Å²	16.1	2%	0.016	8%	0.081	C	C	.	.			trans	-91.4	144.8	171.8	-66.4	-178.8	0	0	0	111.8	L226 I252 E253 D259 F261 A295 K300	L226-L255 HydrophobicContact CB-CD1 4.39Å; L226-L255 HydrophobicContact CD2-CD1 3.97Å; L226-L255 HydrophobicContact CD2-CD2 4.25Å; L226-L255 HydrophobicContact CD2-CG 4.43Å; I252-L255 HydrophobicContact CG1-CD1 4.4Å; I252-L255 PolarHBondContact O-N 3.49Å; E253-L255 PolarHBondContact O-N 3.37Å; E253-L255 VanDerWaalsContact O-N 3.09Å; L255-D259 HydrophobicContact CB-CB 3.99Å; L255-D259 HydrophobicContact CD2-CB 4.05Å; L255-D259 HydrophobicContact CG-CB 4.41Å; L255-F261 HydrophobicContact CD1-CB 3.78Å; L255-F261 HydrophobicContact CD1-CD1 4.17Å; L255-F261 HydrophobicContact CD1-CG 4.44Å; L255-A295 HydrophobicContact CB-CB 3.74Å; L255-A295 HydrophobicContact CD1-CB 4.13Å; L255-K300 WeakPolarHBondContact O-CE 3.36Å; L255-K300 PolarHBondContact O-NZ 2.7Å
256	D	84.3	Confident	89.5	Confident	3 Å²	3	15 Å²	15	2%	0.016	8%	0.075	C	C	.	.			trans	-86.9	162.5	173.1	176.9	64.7	0	0	0	112.8	S214 I217 Q218 D258 D259 A295	S214-D256 WeakPolarHBondContact CB-OD1 3.33Å; I217-D256 HydrophobicContact CB-CB 4.36Å; I217-D256 HydrophobicContact CG2-CB 3.82Å; Q218-D256 HydrophobicContact CG-CB 4.13Å; Q218-D256 WeakPolarHBondContact CG-OD2 3.21Å; Q218-D256 PolarHBondContact NE2-OD1 3.24Å; Q218-D256 PolarHBondContact NE2-OD2 3.1Å; D256-D258 PolarHBondContact O-N 3.34Å; D256-D258 VanDerWaalsContact O-N 3.14Å; D256-D258 PolarHBondContact OD2-N 2.78Å; D256-D259 PolarHBondContact N-OD2 2.93Å; D256-D259 WeakPolarHBondContact O-CA 3.19Å; D256-D259 VanDerWaalsContact O-CB 3.28Å; D256-D259 WeakPolarHBondContact O-CB 3.26Å; D256-D259 PolarHBondContact O-N 2.89Å; D256-A295 WeakPolarHBondContact O-CB 3.32Å
257	V	84.9	Confident	89.3	Confident	7 Å²	7	12.9 Å²	12.9	4%	0.042	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.7	174.7	-64.5	0	0	0	0	115.1	Q294 Y510 Y529	V257-Q294 WeakPolarHBondContact O-CG 3.29Å; V257-Q294 PolarHBondContact O-NE2 2.76Å; V257-Y510 HydrophobicContact CB-CE2 4.03Å; V257-Y510 HydrophobicContact CG1-CE2 4.26Å; V257-Y510 HydrophobicContact CG2-CE2 3.97Å; V257-Y529 HydrophobicContact CG1-CD1 4.02Å; V257-Y529 HydrophobicContact CG1-CD2 3.75Å; V257-Y529 HydrophobicContact CG1-CE1 4.08Å; V257-Y529 HydrophobicContact CG1-CE2 3.83Å; V257-Y529 HydrophobicContact CG1-CG 3.84Å; V257-Y529 HydrophobicContact CG2-CD1 4.13Å; V257-Y529 HydrophobicContact CG2-CE1 3.75Å
258	D	83.3	Confident	88.7	Confident	16 Å²	16	12.9 Å²	12.9	9%	0.086	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.3	171	-91.5	-14.6	0	0	0	113.7	P223 D256 R345 N508	P223-D258 HydrophobicContact CB-CB 4.24Å; P223-D258 HydrophobicContact CG-CB 4Å; D256-D258 PolarHBondContact O-N 3.34Å; D256-D258 VanDerWaalsContact O-N 3.14Å; D256-D258 PolarHBondContact OD2-N 2.78Å; D258-R345 VanDerWaalsContact O-CZ 3.27Å; D258-R345 PolarHBondContact O-NH1 2.94Å; D258-R345 PolarHBondContact O-NH2 3.28Å; D258-N508 PolarHBondContact OD1-ND2 3.38Å; D258-N508 PolarHBondContact OD1-OD1 2.85Å
259	D	87.5	Confident	87.6	Confident	2 Å²	2	13.9 Å²	13.9	1%	0.011	7%	0.072	C	C	.	.			trans	-76.4	156.3	176.1	-65.6	-38.2	0	0	0	111.6	P223 K224 L255 D256 A295	P223-D259 WeakPolarHBondContact CA-OD1 3.48Å; K224-D259 HydrophobicContact CB-CB 4.49Å; K224-D259 WeakPolarHBondContact CB-OD1 3.42Å; K224-D259 WeakPolarHBondContact CE-OD1 3.1Å; K224-D259 VanDerWaalsContact CE-OD2 3.27Å; K224-D259 WeakPolarHBondContact CE-OD2 3.32Å; K224-D259 PolarHBondContact N-OD1 2.86Å; K224-D259 IonicContact NZ-OD1 3.49Å; K224-D259 IonicContact NZ-OD2 3.81Å; L255-D259 HydrophobicContact CB-CB 3.99Å; L255-D259 HydrophobicContact CD2-CB 4.05Å; L255-D259 HydrophobicContact CG-CB 4.41Å; D256-D259 PolarHBondContact N-OD2 2.93Å; D256-D259 WeakPolarHBondContact O-CA 3.19Å; D256-D259 VanDerWaalsContact O-CB 3.28Å; D256-D259 WeakPolarHBondContact O-CB 3.26Å; D256-D259 PolarHBondContact O-N 2.89Å; D259-A295 HydrophobicContact CB-CB 4.43Å; D259-A295 WeakPolarHBondContact O-CB 3.26Å; D259-A295 PolarHBondContact O-N 3.42Å
260	Y	90.6	Very high	86.3	Confident	5 Å²	5	17.2 Å²	17.2	2%	0.02	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.1	175.6	-86.2	-111.4	0	0	0	110.5	K224 D225 L226 F292 V293 Q294 D339 R1415	K224-Y260 PolarHBondContact O-N 3.21Å; D225-Y260 WeakPolarHBondContact CA-O 3.29Å; L226-Y260 PolarHBondContact N-O 2.96Å; Y260-F292 HydrophobicContact CD1-CB 4.49Å; Y260-V293 CarbonylContact C-O 3.52Å; Y260-V293 VanDerWaalsContact CA-O 3.26Å; Y260-V293 WeakPolarHBondContact CA-O 3.29Å; Y260-V293 WeakPolarHBondContact CD1-O 3.29Å; Y260-Q294 HydrophobicContact CD1-CB 4.38Å; Y260-Q294 HydrophobicContact CD2-CB 4.38Å; Y260-Q294 HydrophobicContact CD2-CG 4.44Å; Y260-Q294 HydrophobicContact CE1-CB 3.88Å; Y260-Q294 VanDerWaalsContact CE1-N 3.26Å; Y260-Q294 HydrophobicContact CE2-CB 3.81Å; Y260-Q294 HydrophobicContact CE2-CG 3.8Å; Y260-D339 VanDerWaalsContact OH-CG 3.24Å; Y260-D339 PolarHBondContact OH-OD1 2.62Å; Y260-R1415 VanDerWaalsContact CE2-NH2 3.35Å; Y260-R1415 PolarHBondContact OH-NE 2.82Å; Y260-R1415 PolarHBondContact OH-NH2 3.23Å
261	F	93.8	Very high	85.1	Confident	1 Å²	1	18.2 Å²	18.2	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.2	176.9	70.4	-104.4	0	0	0	112.7	L226 I252 L255 F292 V293 A295 N299 K300 L303	L226-F261 CarbonylContact O-C 3.58Å; L226-F261 VanDerWaalsContact O-CA 3.28Å; L226-F261 WeakPolarHBondContact O-CA 3.3Å; I252-F261 HydrophobicContact CD1-CD2 4.36Å; I252-F261 HydrophobicContact CD1-CG 4.4Å; I252-F261 HydrophobicContact CG2-CD1 3.91Å; I252-F261 HydrophobicContact CG2-CE1 4Å; I252-F261 HydrophobicContact CG2-CG 4.34Å; L255-F261 HydrophobicContact CD1-CB 3.78Å; L255-F261 HydrophobicContact CD1-CD1 4.17Å; L255-F261 HydrophobicContact CD1-CG 4.44Å; F261-F292 CarbonylContact O-C 3.6Å; F261-F292 VanDerWaalsContact O-CA 3.25Å; F261-F292 WeakPolarHBondContact O-CA 3.15Å; F261-V293 HydrophobicContact CD2-CG2 4.18Å; F261-V293 HydrophobicContact CE1-CG2 4.35Å; F261-V293 HydrophobicContact CE2-CG2 3.65Å; F261-V293 HydrophobicContact CZ-CG2 3.76Å; F261-V293 PolarHBondContact N-O 2.66Å; F261-V293 PolarHBondContact O-N 3.19Å; F261-A295 HydrophobicContact CD1-CB 3.86Å; F261-A295 HydrophobicContact CE1-CB 4.24Å; F261-N299 HydrophobicContact CE1-CB 4.31Å; F261-N299 HydrophobicContact CZ-CB 4.1Å; F261-K300 HydrophobicContact CE1-CG 4.07Å; F261-L303 HydrophobicContact CD2-CD2 3.96Å; F261-L303 HydrophobicContact CE2-CB 4.06Å; F261-L303 HydrophobicContact CE2-CD1 4.33Å; F261-L303 HydrophobicContact CE2-CD2 3.6Å; F261-L303 HydrophobicContact CE2-CG 4.19Å; F261-L303 HydrophobicContact CZ-CB 4.22Å; F261-L303 HydrophobicContact CZ-CD2 4.21Å
262	T	93.8	Very high	83.4	Confident	4 Å²	4	24.1 Å²	24.1	3%	0.025	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.1	155	-158.2	0	0	0	0	109.2	L226 F227 I228 S291 F292 M328	L226-T262 PolarHBondContact O-N 2.95Å; F227-T262 HydrophobicContact CB-CG2 4.37Å; F227-T262 HydrophobicContact CD1-CG2 3.23Å; F227-T262 HydrophobicContact CE1-CG2 3.46Å; F227-T262 VanDerWaalsContact CE1-CG2 3.46Å; F227-T262 HydrophobicContact CG-CG2 3.85Å; F227-T262 HydrophobicContact CZ-CG2 4.23Å; I228-T262 PolarHBondContact N-O 2.67Å; T262-S291 PolarHBondContact OG1-O 3.22Å; T262-F292 HydrophobicContact CG2-CD1 4.04Å; T262-F292 HydrophobicContact CG2-CD2 3.65Å; T262-F292 HydrophobicContact CG2-CE1 4.01Å; T262-F292 HydrophobicContact CG2-CE2 3.61Å; T262-F292 HydrophobicContact CG2-CG 3.89Å; T262-F292 HydrophobicContact CG2-CZ 3.81Å; T262-M328 HydrophobicContact CG2-CE 4.27Å
263	V	94.7	Very high	82.2	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.8	175.7	-173.7	0	0	0	0	109.3	I228 L230 I252 I277 V278 L303 L307	I228-V263 HydrophobicContact CB-CB 4.41Å; I228-V263 HydrophobicContact CB-CG1 4.03Å; I228-V263 HydrophobicContact CB-CG2 4Å; I228-V263 HydrophobicContact CD1-CG2 4.33Å; I228-V263 HydrophobicContact CG1-CG2 4.27Å; I228-V263 HydrophobicContact CG2-CG1 4.32Å; I228-V263 WeakPolarHBondContact O-CA 3.45Å; L230-V263 HydrophobicContact CB-CG1 4.44Å; L230-V263 HydrophobicContact CD1-CG1 4.29Å; I252-V263 HydrophobicContact CD1-CG2 3.56Å; V263-I277 WeakPolarHBondContact O-CA 3.42Å; V263-I277 WeakPolarHBondContact O-CG2 3.16Å; V263-V278 HydrophobicContact CB-CG2 4.29Å; V263-V278 HydrophobicContact CG1-CG2 3.87Å; V263-V278 PolarHBondContact O-N 2.85Å; V263-L303 HydrophobicContact CB-CD1 4.23Å; V263-L303 HydrophobicContact CB-CD2 4.49Å; V263-L303 HydrophobicContact CG2-CD1 4.22Å; V263-L303 HydrophobicContact CG2-CD2 3.63Å; V263-L307 HydrophobicContact CG1-CD2 4.18Å
264	A	92.8	Very high	81.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.7	174.1	0	0	0	0	0	110.2	F227 I228 L229 L230 M276 F324	F227-A264 HydrophobicContact CE2-CB 3.85Å; F227-A264 HydrophobicContact CZ-CB 3.65Å; I228-A264 PolarHBondContact O-N 2.85Å; L229-A264 WeakPolarHBondContact CA-O 3.44Å; L230-A264 PolarHBondContact N-O 3.08Å; A264-M276 CarbonylContact C-O 3.57Å; A264-M276 WeakPolarHBondContact CA-O 3.5Å; A264-M276 VanDerWaalsContact CB-O 3.31Å; A264-M276 WeakPolarHBondContact CB-O 3.26Å; A264-F324 HydrophobicContact CB-CD1 4.42Å; A264-F324 HydrophobicContact CB-CE1 3.8Å
265	H	91.9	Very high	81.7	Confident	14 Å²	14	26.5 Å²	26.5	7%	0.065	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	156.2	178	78.6	98.4	0	0	0	111.5	L230 T232 P267 P275 M276 V278	L230-H265 WeakPolarHBondContact O-CA 3.48Å; L230-H265 WeakPolarHBondContact O-CB 3.34Å; T232-H265 HydrophobicContact CG2-CB 3.83Å; T232-H265 PolarHBondContact OG1-ND1 3.3Å; H265-P267 PolarHBondContact CE1-O 2.8Å; H265-P267 VanDerWaalsContact CE1-O 3.25Å; H265-P267 PolarHBondContact ND1-O 3.25Å; H265-P267 VanDerWaalsContact ND1-O 3.07Å; H265-P275 WeakPolarHBondContact O-CA 3.12Å; H265-M276 PolarHBondContact CD2-O 3.21Å; H265-M276 PolarHBondContact N-O 2.8Å; H265-M276 PolarHBondContact O-N 2.88Å; H265-M276 VanDerWaalsContact O-N 3.08Å; H265-V278 HydrophobicContact CB-CG2 4.22Å
266	F	90.9	Very high	81.7	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.013	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	140.1	177.2	63.1	-77.5	0	0	0	110.3	L229 L230 D231 T232 P275 F318 L351	L229-F266 HydrophobicContact CB-CE1 4.08Å; L229-F266 HydrophobicContact CD2-CD1 4.17Å; L230-F266 PolarHBondContact O-N 3.22Å; D231-F266 HydrophobicContact CB-CE1 4.17Å; D231-F266 HydrophobicContact CB-CE2 4.24Å; D231-F266 HydrophobicContact CB-CZ 3.7Å; T232-F266 WeakPolarHBondContact CA-O 3.38Å; T232-F266 PolarHBondContact N-O 2.77Å; T232-F266 VanDerWaalsContact OG1-C 3.27Å; T232-F266 PolarHBondContact OG1-O 2.97Å; F266-P275 HydrophobicContact CB-CB 4.11Å; F266-P275 HydrophobicContact CB-CG 4.17Å; F266-F318 AromaticContact CE2-CD1 3.64Å; F266-F318 HydrophobicContact CE2-CD1 3.64Å; F266-F318 AromaticContact CE2-CE1 3.55Å; F266-F318 HydrophobicContact CE2-CE1 3.55Å; F266-F318 HydrophobicContact CE2-CZ 4.41Å; F266-F318 AromaticContact CZ-CD1 3.79Å; F266-F318 HydrophobicContact CZ-CD1 3.79Å; F266-F318 AromaticContact CZ-CE1 3.65Å; F266-F318 HydrophobicContact CZ-CE1 3.65Å; F266-L351 HydrophobicContact CE1-CD1 3.75Å; F266-L351 HydrophobicContact CZ-CD1 3.74Å
267	P	85.8	Confident	81.9	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.032	16%	0.161	C	C	.	.	S	Bend	cis	-63.3	155.9	-7.1	30.5	-34.2	0	0	0	111.8	T232 H265 R313 Y315	T232-P267 PolarHBondContact OG1-O 3.31Å; H265-P267 PolarHBondContact CE1-O 2.8Å; H265-P267 VanDerWaalsContact CE1-O 3.25Å; H265-P267 PolarHBondContact ND1-O 3.25Å; H265-P267 VanDerWaalsContact ND1-O 3.07Å; P267-R313 VanDerWaalsContact CG-O 3.23Å; P267-R313 WeakPolarHBondContact CG-O 3.46Å; P267-Y315 WeakPolarHBondContact CD-O 3.47Å; P267-Y315 WeakPolarHBondContact CG-O 3.38Å
268	G	80.2	Confident	82	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.			trans	-77.1	-132.4	-172.2	0	0	0	0	0	114.3	K270 V273 A274 R313	G268-K270 VanDerWaalsContact C-N 3.3Å; G268-K270 PolarHBondContact O-N 3.31Å; G268-V273 PolarHBondContact N-O 2.61Å; G268-V273 VanDerWaalsContact N-O 3.16Å; G268-A274 WeakPolarHBondContact CA-O 3.25Å; G268-R313 PolarHBondContact O-NH2 2.55Å
269	A	69.9	Low	81.8	Confident	21 Å²	21	29.1 Å²	29.1	17%	0.174	16%	0.16	C	C	.	.	S	Bend	trans	-68.6	-22.5	-170.1	0	0	0	0	0	115	M276 E283 R313	A269-M276 HydrophobicContact CB-SD 3.87Å; A269-E283 HydrophobicContact CB-CG 4.21Å; A269-E283 WeakPolarHBondContact CB-OE1 3.49Å; A269-R313 PolarHBondContact O-NH1 2.9Å; A269-R313 PolarHBondContact O-NH2 3.5Å
270	K	65.1	Low	80.8	Confident	112 Å²	112	29 Å²	29	49%	0.487	16%	0.159	S	C	.	.	S	Bend	trans	-140.7	162.4	174.5	-57.6	-180	170.6	84.6	0	109.3	G268 H272 V273 E283	G268-K270 VanDerWaalsContact C-N 3.3Å; G268-K270 PolarHBondContact O-N 3.31Å; K270-H272 PolarHBondContact O-N 2.83Å; K270-V273 HydrophobicContact CB-CG2 3.72Å; K270-V273 VanDerWaalsContact O-CB 3.29Å; K270-V273 WeakPolarHBondContact O-CB 3.29Å; K270-V273 WeakPolarHBondContact O-CG2 3.42Å; K270-V273 PolarHBondContact O-N 3.32Å; K270-V273 VanDerWaalsContact O-N 3.11Å; K270-E283 IonicContact NZ-OE1 3.6Å; K270-E283 PolarHBondContact NZ-OE1 2.88Å; K270-E283 IonicContact NZ-OE2 3.9Å; K270-E283 PolarHBondContact NZ-OE2 3.06Å
271	D	60.9	Low	79.3	Confident	88 Å²	88	32.3 Å²	32.3	47%	0.471	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	138.4	178.7	-60.5	-50.5	0	0	0	110.5	V273 G314	D271-V273 PolarHBondContact O-N 3.49Å; D271-G314 WeakPolarHBondContact OD1-CA 3.45Å; D271-G314 PolarHBondContact OD1-N 3.46Å; D271-G314 VanDerWaalsContact OD1-N 3.15Å
272	H	56	Low	77.5	Confident	125 Å²	125	36.8 Å²	36.8	58%	0.579	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	6.6	-178.1	-41.1	4.5	0	0	0	114.6	K270 Y315	K270-H272 PolarHBondContact O-N 2.83Å; H272-Y315 HydrophobicContact CB-CE1 4.17Å; H272-Y315 AromaticContact CD2-CE1 3.59Å; H272-Y315 AromaticContact CE1-CD1 3.52Å; H272-Y315 AromaticContact CE1-CE1 3.29Å; H272-Y315 WeakPolarHBondContact CE1-CE1 3.37Å; H272-Y315 AromaticContact CG-CE1 3.36Å; H272-Y315 AromaticContact CG-CZ 3.61Å; H272-Y315 AromaticContact ND1-CD1 3.49Å; H272-Y315 WeakPolarHBondContact ND1-CD1 3.3Å; H272-Y315 AromaticContact ND1-CE1 3.15Å; H272-Y315 WeakPolarHBondContact ND1-CE1 3.49Å; H272-Y315 AromaticContact ND1-CZ 3.76Å; H272-Y315 AromaticContact NE2-CE1 3.55Å
273	V	64.6	Low	75.8	Confident	69 Å²	69	42 Å²	42	42%	0.418	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-81.8	145.9	173.3	178.2	0	0	0	0	111	G268 K270 D271	G268-V273 PolarHBondContact N-O 2.61Å; G268-V273 VanDerWaalsContact N-O 3.16Å; K270-V273 HydrophobicContact CB-CG2 3.72Å; K270-V273 VanDerWaalsContact O-CB 3.29Å; K270-V273 WeakPolarHBondContact O-CB 3.29Å; K270-V273 WeakPolarHBondContact O-CG2 3.42Å; K270-V273 PolarHBondContact O-N 3.32Å; K270-V273 VanDerWaalsContact O-N 3.11Å; D271-V273 PolarHBondContact O-N 3.49Å
274	A	74.9	Confident	74.3	Confident	65 Å²	65	46.6 Å²	46.6	54%	0.537	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-48	155.3	173.7	0	0	0	0	0	113	G268	G268-A274 WeakPolarHBondContact CA-O 3.25Å
275	P	83.5	Confident	73	Confident	13 Å²	13	50.1 Å²	50.1	8%	0.084	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-55.7	149.1	178.4	-15.1	22.1	0	0	0	112.6	H265 F266 F324	H265-P275 WeakPolarHBondContact O-CA 3.12Å; F266-P275 HydrophobicContact CB-CB 4.11Å; F266-P275 HydrophobicContact CB-CG 4.17Å; P275-F324 HydrophobicContact CB-CB 4.32Å; P275-F324 HydrophobicContact CB-CD1 3.75Å; P275-F324 HydrophobicContact CB-CE1 4.25Å; P275-F324 HydrophobicContact CB-CG 4.05Å; P275-F324 HydrophobicContact CG-CB 3.87Å; P275-F324 HydrophobicContact CG-CD1 4.24Å; P275-F324 HydrophobicContact CG-CG 4.14Å
276	M	86.6	Confident	72	Confident	45 Å²	45	54.3 Å²	54.3	22%	0.222	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.4	-178.7	-176.1	174.3	149.5	0	0	110.6	A264 H265 A269 T279	A264-M276 CarbonylContact C-O 3.57Å; A264-M276 WeakPolarHBondContact CA-O 3.5Å; A264-M276 VanDerWaalsContact CB-O 3.31Å; A264-M276 WeakPolarHBondContact CB-O 3.26Å; H265-M276 PolarHBondContact CD2-O 3.21Å; H265-M276 PolarHBondContact N-O 2.8Å; H265-M276 PolarHBondContact O-N 2.88Å; H265-M276 VanDerWaalsContact O-N 3.08Å; A269-M276 HydrophobicContact CB-SD 3.87Å; M276-T279 HydrophobicContact CE-CG2 4.32Å
277	I	87.7	Confident	71.3	Confident	22 Å²	22	58.5 Å²	58.5	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	138.3	171.6	-58.3	176.6	0	0	0	108.7	V263 T279 F289 F324 M328	V263-I277 WeakPolarHBondContact O-CA 3.42Å; V263-I277 WeakPolarHBondContact O-CG2 3.16Å; I277-T279 PolarHBondContact O-N 3.37Å; I277-F289 WeakPolarHBondContact CG2-O 3.34Å; I277-F324 HydrophobicContact CG1-CZ 4.43Å; I277-M328 HydrophobicContact CD1-CE 3.8Å; I277-M328 HydrophobicContact CG1-CE 4.5Å
278	V	86.8	Confident	71.3	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	32%	0.324	C	S	.	.			trans	-63.4	131.1	-178.3	173.4	0	0	0	0	110.8	V263 H265 D306 L307 L310	V263-V278 HydrophobicContact CB-CG2 4.29Å; V263-V278 HydrophobicContact CG1-CG2 3.87Å; V263-V278 PolarHBondContact O-N 2.85Å; H265-V278 HydrophobicContact CB-CG2 4.22Å; V278-D306 HydrophobicContact CG1-CB 3.84Å; V278-L307 HydrophobicContact CG1-CD2 4.19Å; V278-L307 HydrophobicContact CG1-CG 4.41Å; V278-L307 HydrophobicContact CG2-CD2 4.32Å; V278-L310 HydrophobicContact CG1-CD1 4.19Å; V278-L310 HydrophobicContact CG1-CD2 4.28Å; V278-L310 HydrophobicContact CG1-CG 4.35Å; V278-L310 HydrophobicContact CG2-CD1 4.05Å
279	T	79.3	Confident	71.7	Confident	15 Å²	15	58.8 Å²	58.8	9%	0.092	33%	0.325	C	S	.	.			trans	-142.2	143.8	174.7	56.8	0	0	0	0	108.5	M276 I277 I287	M276-T279 HydrophobicContact CE-CG2 4.32Å; I277-T279 PolarHBondContact O-N 3.37Å; T279-I287 HydrophobicContact CG2-CB 4.38Å; T279-I287 HydrophobicContact CG2-CG1 4.33Å; T279-I287 HydrophobicContact CG2-CG2 4.06Å
280	A	66.2	Low	72.3	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-57.9	153.3	170.9	0	0	0	0	0	112.7	N282 E285 Y305 D306 T309	A280-N282 PolarHBondContact O-N 2.82Å; A280-E285 WeakPolarHBondContact CB-OE2 3.43Å; A280-Y305 HydrophobicContact CB-CD1 4.22Å; A280-Y305 HydrophobicContact CB-CE1 3.76Å; A280-D306 VanDerWaalsContact CB-OD1 3.27Å; A280-D306 WeakPolarHBondContact CB-OD1 3.47Å; A280-D306 PolarHBondContact N-OD1 3.22Å; A280-T309 HydrophobicContact CB-CG2 4.04Å
281	N	60	Low	73.2	Confident	75 Å²	75	57.6 Å²	57.6	40%	0.401	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	47.3	160.4	-58.9	-27.3	0	0	0	116.8	E283 S284	N281-E283 PolarHBondContact O-N 3.03Å; N281-S284 PolarHBondContact O-N 2.91Å; N281-S284 VanDerWaalsContact O-N 3.09Å; N281-S284 PolarHBondContact O-OG 2.77Å; N281-S284 VanDerWaalsContact O-OG 3.06Å
282	N	56	Low	74.6	Confident	95 Å²	95	53.5 Å²	53.5	51%	0.508	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	36.8	75.4	157	-72.5	-16.8	0	0	0	116.1	A280 S284	A280-N282 PolarHBondContact O-N 2.82Å; N282-S284 VanDerWaalsContact C-N 3.31Å; N282-S284 PolarHBondContact O-N 2.93Å
283	E	57	Low	76.2	Confident	113 Å²	113	47.9 Å²	47.9	53%	0.528	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	-6.9	176.6	-48.3	-179.6	171.5	0	0	116.5	A269 K270 N281	A269-E283 HydrophobicContact CB-CG 4.21Å; A269-E283 WeakPolarHBondContact CB-OE1 3.49Å; K270-E283 IonicContact NZ-OE1 3.6Å; K270-E283 PolarHBondContact NZ-OE1 2.88Å; K270-E283 IonicContact NZ-OE2 3.9Å; K270-E283 PolarHBondContact NZ-OE2 3.06Å; N281-E283 PolarHBondContact O-N 3.03Å
284	S	64.1	Low	77.4	Confident	97 Å²	97	45.8 Å²	45.8	68%	0.678	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-32.5	-176.3	75.6	0	0	0	0	116.1	N281 N282	N281-S284 PolarHBondContact O-N 2.91Å; N281-S284 VanDerWaalsContact O-N 3.09Å; N281-S284 PolarHBondContact O-OG 2.77Å; N281-S284 VanDerWaalsContact O-OG 3.06Å; N282-S284 VanDerWaalsContact C-N 3.31Å; N282-S284 PolarHBondContact O-N 2.93Å
285	E	66.2	Low	78.1	Confident	74 Å²	74	42.7 Å²	42.7	35%	0.346	24%	0.236	S	C	.	.	S	Bend	trans	-86.2	146.8	170	-90.4	-168.4	133	0	0	111	A280 R302	A280-E285 WeakPolarHBondContact CB-OE2 3.43Å; E285-R302 IonicContact OE1-NH1 3.72Å; E285-R302 PolarHBondContact OE1-NH1 3.01Å; E285-R302 IonicContact OE1-NH2 2.65Å; E285-R302 IonicContact OE2-CZ 3.25Å; E285-R302 IonicContact OE2-NH1 2.73Å; E285-R302 IonicContact OE2-NH2 2.91Å; E285-R302 PolarHBondContact OE2-NH2 2.85Å
286	P	70.2	Confident	78.3	Confident	103 Å²	103	43.2 Å²	43.2	67%	0.669	24%	0.239	S	C	*	.			trans	-65.5	140	171.9	29.1	-34.5	0	0	0	110.6	C288	P286-C288 PolarHBondContact O-N 3.39Å
287	I	76.7	Confident	78.2	Confident	91 Å²	91	47 Å²	47	47%	0.467	25%	0.251	S	S	.	.			trans	-53.5	113.8	-177.1	-59.2	175.2	0	0	0	110.5	T279 F289 R1410	T279-I287 HydrophobicContact CG2-CB 4.38Å; T279-I287 HydrophobicContact CG2-CG1 4.33Å; T279-I287 HydrophobicContact CG2-CG2 4.06Å; I287-F289 WeakPolarHBondContact CG2-O 3.47Å; I287-R1410 PolarHBondContact O-NH2 2.81Å
288	C	85	Confident	78.1	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.034	26%	0.256	C	S	.	.	S	Bend	trans	-68.1	-67	179.1	-173	0	0	0	0	110.2	P286 C1406	P286-C288 PolarHBondContact O-N 3.39Å; C288-C1406 HydrophobicContact CB-CB 3.9Å; C288-C1406 WeakPolarHBondContact CB-SG 3.43Å; C288-C1406 WeakPolarHBondContact SG-CA 3.33Å; C288-C1406 WeakPolarHBondContact SG-CB 3.34Å; C288-C1406 CovalentContact SG-SG 2.03Å; C288-C1406 PolarHBondContact SG-SG 3.21Å
289	F	88.1	Confident	78.3	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.022	26%	0.259	C	S	.	.			trans	-98.4	116.1	178.8	-54.4	-37.8	0	0	0	111.1	I277 I287 V293 N299 R302 L303 V1405 S1409	I277-F289 WeakPolarHBondContact CG2-O 3.34Å; I287-F289 WeakPolarHBondContact CG2-O 3.47Å; F289-V293 HydrophobicContact CB-CG1 4.18Å; F289-V293 HydrophobicContact CD1-CB 4.42Å; F289-V293 HydrophobicContact CD1-CG1 3.63Å; F289-V293 HydrophobicContact CD1-CG2 4.19Å; F289-V293 HydrophobicContact CD2-CG2 4.2Å; F289-V293 HydrophobicContact CE1-CG1 4.21Å; F289-V293 HydrophobicContact CE1-CG2 4.29Å; F289-V293 HydrophobicContact CE2-CG2 4.31Å; F289-V293 HydrophobicContact CG-CG1 3.98Å; F289-V293 HydrophobicContact CG-CG2 4.13Å; F289-V293 HydrophobicContact CZ-CG2 4.35Å; F289-N299 HydrophobicContact CZ-CB 4.3Å; F289-R302 HydrophobicContact CE2-CB 4.48Å; F289-R302 HydrophobicContact CE2-CG 4.3Å; F289-R302 HydrophobicContact CZ-CB 4.17Å; F289-R302 HydrophobicContact CZ-CG 4.1Å; F289-L303 HydrophobicContact CE2-CB 4.32Å; F289-V1405 HydrophobicContact CE1-CG1 4.28Å; F289-V1405 HydrophobicContact CZ-CG1 4.15Å; F289-S1409 WeakPolarHBondContact CD1-OG 3.5Å
290	N	82.5	Confident	78.9	Confident	89 Å²	89	50.2 Å²	50.2	48%	0.476	26%	0.261	S	S	.	.	S	Bend	trans	-98.2	1.3	178.4	66.3	14.7	0	0	0	114.1	R337	N290-R337 PolarHBondContact OD1-NH2 3.45Å; N290-R337 VanDerWaalsContact OD1-NH2 3.12Å
291	S	85.8	Confident	80	Confident	20 Å²	20	54.9 Å²	54.9	14%	0.14	29%	0.286	C	S	.	.	S	Bend	trans	-162.9	-164.4	-174.7	-159.9	0	0	0	0	110	T262	T262-S291 PolarHBondContact OG1-O 3.22Å
292	F	89.4	Confident	81.4	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.275	C	S	.	.			trans	-73.9	130.7	168.9	-71	-118.1	0	0	0	111	D225 L226 F227 Y260 F261 T262 M328 F329 L332 R340	D225-F292 HydrophobicContact CB-CD1 4.27Å; D225-F292 HydrophobicContact CB-CE1 3.97Å; L226-F292 WeakPolarHBondContact O-CE1 3.49Å; F227-F292 HydrophobicContact CB-CE1 4.17Å; F227-F292 HydrophobicContact CB-CZ 3.86Å; F227-F292 AromaticContact CD1-CE2 3.82Å; F227-F292 HydrophobicContact CD1-CE2 3.82Å; F227-F292 AromaticContact CD1-CZ 3.62Å; F227-F292 HydrophobicContact CD1-CZ 3.62Å; F227-F292 HydrophobicContact CE1-CE2 4.49Å; F227-F292 HydrophobicContact CG-CZ 4.24Å; Y260-F292 HydrophobicContact CD1-CB 4.49Å; F261-F292 CarbonylContact O-C 3.6Å; F261-F292 VanDerWaalsContact O-CA 3.25Å; F261-F292 WeakPolarHBondContact O-CA 3.15Å; T262-F292 HydrophobicContact CG2-CD1 4.04Å; T262-F292 HydrophobicContact CG2-CD2 3.65Å; T262-F292 HydrophobicContact CG2-CE1 4.01Å; T262-F292 HydrophobicContact CG2-CE2 3.61Å; T262-F292 HydrophobicContact CG2-CG 3.89Å; T262-F292 HydrophobicContact CG2-CZ 3.81Å; F292-M328 HydrophobicContact CD2-CE 4.24Å; F292-M328 HydrophobicContact CE2-CB 4.38Å; F292-M328 HydrophobicContact CE2-CE 4.3Å; F292-F329 HydrophobicContact CE1-CD1 4.47Å; F292-F329 AromaticContact CE1-CE1 3.83Å; F292-F329 HydrophobicContact CE1-CE1 3.83Å; F292-F329 HydrophobicContact CE1-CZ 4.23Å; F292-F329 AromaticContact CZ-CD1 3.76Å; F292-F329 HydrophobicContact CZ-CD1 3.76Å; F292-F329 AromaticContact CZ-CE1 3.47Å; F292-F329 HydrophobicContact CZ-CE1 3.47Å; F292-F329 VanDerWaalsContact CZ-CE1 3.47Å; F292-F329 HydrophobicContact CZ-CE2 4.46Å; F292-F329 HydrophobicContact CZ-CG 4.39Å; F292-F329 AromaticContact CZ-CZ 3.86Å; F292-F329 HydrophobicContact CZ-CZ 3.86Å; F292-L332 HydrophobicContact CB-CD1 4.42Å; F292-L332 HydrophobicContact CB-CD2 4.31Å; F292-L332 HydrophobicContact CD1-CD1 4.07Å; F292-L332 HydrophobicContact CD2-CD1 3.43Å; F292-L332 VanDerWaalsContact CD2-CD1 3.43Å; F292-L332 HydrophobicContact CD2-CD2 4.24Å; F292-L332 HydrophobicContact CD2-CG 3.8Å; F292-L332 HydrophobicContact CE1-CD1 4.02Å; F292-L332 HydrophobicContact CE2-CD1 3.38Å; F292-L332 HydrophobicContact CE2-CG 3.99Å; F292-L332 HydrophobicContact CG-CD1 3.77Å; F292-L332 HydrophobicContact CG-CD2 4.47Å; F292-L332 HydrophobicContact CG-CG 4.37Å; F292-L332 HydrophobicContact CZ-CD1 3.67Å; F292-R340 PolarHBondContact O-NH2 2.89Å
293	V	90.1	Very high	83.1	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	154.9	179.1	-64.3	0	0	0	0	111.3	Y260 F261 F289 N299	Y260-V293 CarbonylContact C-O 3.52Å; Y260-V293 VanDerWaalsContact CA-O 3.26Å; Y260-V293 WeakPolarHBondContact CA-O 3.29Å; Y260-V293 WeakPolarHBondContact CD1-O 3.29Å; F261-V293 HydrophobicContact CD2-CG2 4.18Å; F261-V293 HydrophobicContact CE1-CG2 4.35Å; F261-V293 HydrophobicContact CE2-CG2 3.65Å; F261-V293 HydrophobicContact CZ-CG2 3.76Å; F261-V293 PolarHBondContact N-O 2.66Å; F261-V293 PolarHBondContact O-N 3.19Å; F289-V293 HydrophobicContact CB-CG1 4.18Å; F289-V293 HydrophobicContact CD1-CB 4.42Å; F289-V293 HydrophobicContact CD1-CG1 3.63Å; F289-V293 HydrophobicContact CD1-CG2 4.19Å; F289-V293 HydrophobicContact CD2-CG2 4.2Å; F289-V293 HydrophobicContact CE1-CG1 4.21Å; F289-V293 HydrophobicContact CE1-CG2 4.29Å; F289-V293 HydrophobicContact CE2-CG2 4.31Å; F289-V293 HydrophobicContact CG-CG1 3.98Å; F289-V293 HydrophobicContact CG-CG2 4.13Å; F289-V293 HydrophobicContact CZ-CG2 4.35Å; V293-N299 HydrophobicContact CG2-CB 4.41Å
294	Q	88.7	Confident	84.8	Confident	25 Å²	25	45.4 Å²	45.4	12%	0.117	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	142.1	-179.8	-169.4	-179.8	3.2	0	0	110	V257 Y260 T296 N299	V257-Q294 WeakPolarHBondContact O-CG 3.29Å; V257-Q294 PolarHBondContact O-NE2 2.76Å; Y260-Q294 HydrophobicContact CD1-CB 4.38Å; Y260-Q294 HydrophobicContact CD2-CB 4.38Å; Y260-Q294 HydrophobicContact CD2-CG 4.44Å; Y260-Q294 HydrophobicContact CE1-CB 3.88Å; Y260-Q294 VanDerWaalsContact CE1-N 3.26Å; Y260-Q294 HydrophobicContact CE2-CB 3.81Å; Y260-Q294 HydrophobicContact CE2-CG 3.8Å; Q294-T296 HydrophobicContact CB-CG2 4.1Å; Q294-T296 HydrophobicContact CG-CG2 3.91Å; Q294-T296 PolarHBondContact O-N 3.45Å; Q294-N299 WeakPolarHBondContact O-CB 3.14Å; Q294-N299 PolarHBondContact O-ND2 2.89Å
295	A	90.7	Very high	86	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.008	22%	0.224	C	C	.	.			trans	-78.3	46.7	-178.2	0	0	0	0	0	113.8	L255 D256 D259 F261 K300	L255-A295 HydrophobicContact CB-CB 3.74Å; L255-A295 HydrophobicContact CD1-CB 4.13Å; D256-A295 WeakPolarHBondContact O-CB 3.32Å; D259-A295 HydrophobicContact CB-CB 4.43Å; D259-A295 WeakPolarHBondContact O-CB 3.26Å; D259-A295 PolarHBondContact O-N 3.42Å; F261-A295 HydrophobicContact CD1-CB 3.86Å; F261-A295 HydrophobicContact CE1-CB 4.24Å; A295-K300 WeakPolarHBondContact O-CE 3.32Å
296	T	87.2	Confident	87	Confident	24 Å²	24	43 Å²	43	15%	0.147	21%	0.207	C	C	.	.			trans	-68.1	153.3	172	75.3	0	0	0	0	110.8	Q294 R298 N299 K300	Q294-T296 HydrophobicContact CB-CG2 4.1Å; Q294-T296 HydrophobicContact CG-CG2 3.91Å; Q294-T296 PolarHBondContact O-N 3.45Å; T296-R298 VanDerWaalsContact C-N 3.29Å; T296-R298 PolarHBondContact O-N 3.32Å; T296-N299 PolarHBondContact O-N 3.28Å; T296-N299 VanDerWaalsContact O-N 3.11Å; T296-N299 WeakPolarHBondContact OG1-CB 3.21Å; T296-N299 PolarHBondContact OG1-N 3.26Å; T296-N299 PolarHBondContact OG1-ND2 3.01Å; T296-K300 WeakPolarHBondContact O-CG 3.5Å; T296-K300 PolarHBondContact O-N 3.39Å
297	R	84.6	Confident	88	Confident	125 Å²	125	38 Å²	38	47%	0.472	18%	0.176	S	C	.	.	H	α-helix	trans	-54.7	-41.5	179.6	-176	175.9	173.1	-142.6	9.1	113	K300 L301	R297-K300 PolarHBondContact O-N 3.42Å; R297-L301 HydrophobicContact CG-CD1 4.03Å; R297-L301 WeakPolarHBondContact O-CB 3.29Å; R297-L301 VanDerWaalsContact O-CG 3.28Å; R297-L301 WeakPolarHBondContact O-CG 3.36Å; R297-L301 PolarHBondContact O-N 2.65Å
298	R	86.5	Confident	88.6	Confident	60 Å²	60	37.2 Å²	37.2	23%	0.226	18%	0.178	C	C	.	.	H	α-helix	trans	-67.2	-40.2	178.5	-59.3	-175.3	79.7	-146	-3.9	111.8	T296 L301 R302 V1401 G1402 T1403 V1405	T296-R298 VanDerWaalsContact C-N 3.29Å; T296-R298 PolarHBondContact O-N 3.32Å; R298-L301 PolarHBondContact O-N 3.22Å; R298-R302 PolarHBondContact O-N 3.48Å; R298-V1401 PolarHBondContact NH2-O 2.89Å; R298-G1402 PolarHBondContact NH2-O 2.91Å; R298-T1403 VanDerWaalsContact CZ-O 3.25Å; R298-T1403 PolarHBondContact NH1-O 3.4Å; R298-T1403 PolarHBondContact NH1-OG1 3.13Å; R298-T1403 PolarHBondContact NH2-O 3.31Å; R298-V1405 HydrophobicContact CB-CG2 4.02Å
299	N	90.6	Very high	88.6	Confident	13 Å²	13	38.4 Å²	38.4	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-44.8	174.8	-68.7	-5.9	0	0	0	112	F261 F289 V293 Q294 T296 L301 R302 L303 V1405	F261-N299 HydrophobicContact CE1-CB 4.31Å; F261-N299 HydrophobicContact CZ-CB 4.1Å; F289-N299 HydrophobicContact CZ-CB 4.3Å; V293-N299 HydrophobicContact CG2-CB 4.41Å; Q294-N299 WeakPolarHBondContact O-CB 3.14Å; Q294-N299 PolarHBondContact O-ND2 2.89Å; T296-N299 PolarHBondContact O-N 3.28Å; T296-N299 VanDerWaalsContact O-N 3.11Å; T296-N299 WeakPolarHBondContact OG1-CB 3.21Å; T296-N299 PolarHBondContact OG1-N 3.26Å; T296-N299 PolarHBondContact OG1-ND2 3.01Å; N299-L301 PolarHBondContact O-N 2.84Å; N299-R302 PolarHBondContact O-N 3.13Å; N299-L303 PolarHBondContact O-N 2.99Å; N299-L303 VanDerWaalsContact O-N 3.15Å; N299-V1405 WeakPolarHBondContact OD1-CG1 3.47Å
300	K	91.5	Very high	88.5	Confident	31 Å²	31	39.1 Å²	39.1	14%	0.135	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-49.6	175	-66.8	-176.5	-174.6	179.8	0	110.8	I252 E253 L255 F261 A295 T296 R297 L303 F304	I252-K300 HydrophobicContact CG2-CB 4.36Å; I252-K300 HydrophobicContact CG2-CD 4.4Å; I252-K300 HydrophobicContact CG2-CG 3.87Å; I252-K300 WeakPolarHBondContact O-CD 3.38Å; I252-K300 WeakPolarHBondContact O-CE 3.4Å; I252-K300 PolarHBondContact O-NZ 3.49Å; E253-K300 PolarHBondContact O-NZ 2.32Å; L255-K300 WeakPolarHBondContact O-CE 3.36Å; L255-K300 PolarHBondContact O-NZ 2.7Å; F261-K300 HydrophobicContact CE1-CG 4.07Å; A295-K300 WeakPolarHBondContact O-CE 3.32Å; T296-K300 WeakPolarHBondContact O-CG 3.5Å; T296-K300 PolarHBondContact O-N 3.39Å; R297-K300 PolarHBondContact O-N 3.42Å; K300-L303 PolarHBondContact O-N 2.62Å; K300-F304 HydrophobicContact CB-CE1 4.48Å; K300-F304 HydrophobicContact CB-CE2 4.32Å; K300-F304 HydrophobicContact CB-CZ 4.1Å; K300-F304 WeakPolarHBondContact O-CD1 3.47Å; K300-F304 WeakPolarHBondContact O-CG 3.16Å; K300-F304 PolarHBondContact O-N 3.02Å
301	L	88.5	Confident	88.7	Confident	98 Å²	98	42.2 Å²	42.2	51%	0.513	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-42.3	-177.9	-71.7	170.8	0	0	0	113.3	R297 R298 N299 L303 F304 Y305	R297-L301 HydrophobicContact CG-CD1 4.03Å; R297-L301 WeakPolarHBondContact O-CB 3.29Å; R297-L301 VanDerWaalsContact O-CG 3.28Å; R297-L301 WeakPolarHBondContact O-CG 3.36Å; R297-L301 PolarHBondContact O-N 2.65Å; R298-L301 PolarHBondContact O-N 3.22Å; N299-L301 PolarHBondContact O-N 2.84Å; L301-L303 PolarHBondContact O-N 2.72Å; L301-F304 HydrophobicContact CD2-CD2 4.48Å; L301-F304 PolarHBondContact O-N 3.13Å; L301-Y305 PolarHBondContact O-N 3.18Å; L301-Y305 VanDerWaalsContact O-N 3.09Å
302	R	89.9	Confident	88.9	Confident	48 Å²	48	42.5 Å²	42.5	18%	0.181	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-45.7	174.3	176.7	65	-148.7	-148.8	7.4	111.1	E285 F289 R298 N299 F304 Y305 D306 V1405	E285-R302 IonicContact OE1-NH1 3.72Å; E285-R302 PolarHBondContact OE1-NH1 3.01Å; E285-R302 IonicContact OE1-NH2 2.65Å; E285-R302 IonicContact OE2-CZ 3.25Å; E285-R302 IonicContact OE2-NH1 2.73Å; E285-R302 IonicContact OE2-NH2 2.91Å; E285-R302 PolarHBondContact OE2-NH2 2.85Å; F289-R302 HydrophobicContact CE2-CB 4.48Å; F289-R302 HydrophobicContact CE2-CG 4.3Å; F289-R302 HydrophobicContact CZ-CB 4.17Å; F289-R302 HydrophobicContact CZ-CG 4.1Å; R298-R302 PolarHBondContact O-N 3.48Å; N299-R302 PolarHBondContact O-N 3.13Å; R302-F304 VanDerWaalsContact C-N 3.33Å; R302-F304 PolarHBondContact O-N 3.05Å; R302-Y305 WeakPolarHBondContact O-CB 3.44Å; R302-Y305 PolarHBondContact O-N 3.44Å; R302-D306 IonicContact CZ-OD1 3.94Å; R302-D306 IonicContact NE-OD1 3.31Å; R302-D306 PolarHBondContact NE-OD1 2.83Å; R302-D306 VanDerWaalsContact NE-OD1 3.14Å; R302-D306 IonicContact NE-OD2 3.74Å; R302-D306 PolarHBondContact NE-OD2 3.49Å; R302-D306 IonicContact NH2-OD1 3.29Å; R302-D306 PolarHBondContact NH2-OD1 3.31Å; R302-D306 PolarHBondContact O-N 2.9Å; R302-V1405 HydrophobicContact CB-CG1 4.11Å
303	L	92.1	Very high	88.8	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-39.8	175.4	-176	80.4	0	0	0	112.2	I252 F261 V263 F289 N299 K300 L301 Y305 D306 L307	I252-L303 HydrophobicContact CD1-CD2 3.33Å; I252-L303 HydrophobicContact CG2-CD2 4.46Å; F261-L303 HydrophobicContact CD2-CD2 3.96Å; F261-L303 HydrophobicContact CE2-CB 4.06Å; F261-L303 HydrophobicContact CE2-CD1 4.33Å; F261-L303 HydrophobicContact CE2-CD2 3.6Å; F261-L303 HydrophobicContact CE2-CG 4.19Å; F261-L303 HydrophobicContact CZ-CB 4.22Å; F261-L303 HydrophobicContact CZ-CD2 4.21Å; V263-L303 HydrophobicContact CB-CD1 4.23Å; V263-L303 HydrophobicContact CB-CD2 4.49Å; V263-L303 HydrophobicContact CG2-CD1 4.22Å; V263-L303 HydrophobicContact CG2-CD2 3.63Å; F289-L303 HydrophobicContact CE2-CB 4.32Å; N299-L303 PolarHBondContact O-N 2.99Å; N299-L303 VanDerWaalsContact O-N 3.15Å; K300-L303 PolarHBondContact O-N 2.62Å; L301-L303 PolarHBondContact O-N 2.72Å; L303-Y305 VanDerWaalsContact C-N 3.27Å; L303-Y305 PolarHBondContact O-N 3.27Å; L303-D306 PolarHBondContact O-N 3.31Å; L303-D306 VanDerWaalsContact O-N 3.16Å; L303-L307 HydrophobicContact CD2-CD1 4Å; L303-L307 HydrophobicContact CG-CD1 3.96Å; L303-L307 HydrophobicContact CG-CG 4.15Å; L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 WeakPolarHBondContact O-CG 3.19Å; L303-L307 PolarHBondContact O-N 3.13Å
304	F	92.1	Very high	88.6	Confident	33 Å²	33	47 Å²	47	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-34.2	-179.7	-64	-7.2	0	0	0	111.9	Q249 I252 E253 K300 L301 R302 L307 S308	Q249-F304 HydrophobicContact CB-CD1 4.4Å; Q249-F304 HydrophobicContact CB-CE1 4.22Å; Q249-F304 HydrophobicContact CB-CZ 4.42Å; Q249-F304 HydrophobicContact CG-CD1 3.84Å; Q249-F304 HydrophobicContact CG-CE1 4.15Å; Q249-F304 HydrophobicContact CG-CG 4.12Å; I252-F304 HydrophobicContact CB-CE1 3.91Å; I252-F304 HydrophobicContact CB-CZ 4.26Å; I252-F304 HydrophobicContact CG2-CE1 3.65Å; I252-F304 HydrophobicContact CG2-CZ 3.99Å; E253-F304 HydrophobicContact CG-CE2 3.89Å; E253-F304 HydrophobicContact CG-CZ 3.86Å; K300-F304 HydrophobicContact CB-CE1 4.48Å; K300-F304 HydrophobicContact CB-CE2 4.32Å; K300-F304 HydrophobicContact CB-CZ 4.1Å; K300-F304 WeakPolarHBondContact O-CD1 3.47Å; K300-F304 WeakPolarHBondContact O-CG 3.16Å; K300-F304 PolarHBondContact O-N 3.02Å; L301-F304 HydrophobicContact CD2-CD2 4.48Å; L301-F304 PolarHBondContact O-N 3.13Å; R302-F304 VanDerWaalsContact C-N 3.33Å; R302-F304 PolarHBondContact O-N 3.05Å; F304-L307 HydrophobicContact CD1-CD1 4.37Å; F304-S308 PolarHBondContact O-N 3.31Å
305	Y	89	Confident	88.4	Confident	119 Å²	119	51.3 Å²	51.3	47%	0.467	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-53.7	166.7	175	-96.7	0	0	0	111.2	A280 L301 R302 L303 L307 S308	A280-Y305 HydrophobicContact CB-CD1 4.22Å; A280-Y305 HydrophobicContact CB-CE1 3.76Å; L301-Y305 PolarHBondContact O-N 3.18Å; L301-Y305 VanDerWaalsContact O-N 3.09Å; R302-Y305 WeakPolarHBondContact O-CB 3.44Å; R302-Y305 PolarHBondContact O-N 3.44Å; L303-Y305 VanDerWaalsContact C-N 3.27Å; L303-Y305 PolarHBondContact O-N 3.27Å; Y305-L307 VanDerWaalsContact C-N 3.33Å; Y305-L307 PolarHBondContact O-N 3.13Å; Y305-S308 WeakPolarHBondContact O-CB 3.42Å; Y305-S308 PolarHBondContact O-N 3.47Å; Y305-S308 PolarHBondContact O-OG 2.81Å
306	D	88.9	Confident	88.1	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-54.6	-47.1	-179.6	-62.8	-52.1	0	0	0	112.1	V278 A280 R302 L303 S308 T309	V278-D306 HydrophobicContact CG1-CB 3.84Å; A280-D306 VanDerWaalsContact CB-OD1 3.27Å; A280-D306 WeakPolarHBondContact CB-OD1 3.47Å; A280-D306 PolarHBondContact N-OD1 3.22Å; R302-D306 IonicContact CZ-OD1 3.94Å; R302-D306 IonicContact NE-OD1 3.31Å; R302-D306 PolarHBondContact NE-OD1 2.83Å; R302-D306 VanDerWaalsContact NE-OD1 3.14Å; R302-D306 IonicContact NE-OD2 3.74Å; R302-D306 PolarHBondContact NE-OD2 3.49Å; R302-D306 IonicContact NH2-OD1 3.29Å; R302-D306 PolarHBondContact NH2-OD1 3.31Å; R302-D306 PolarHBondContact O-N 2.9Å; L303-D306 PolarHBondContact O-N 3.31Å; L303-D306 VanDerWaalsContact O-N 3.16Å; D306-S308 VanDerWaalsContact C-N 3.27Å; D306-S308 PolarHBondContact O-N 3.06Å; D306-T309 PolarHBondContact O-N 3Å; D306-T309 VanDerWaalsContact O-N 3.14Å; D306-T309 PolarHBondContact O-OG1 2.88Å
307	L	90.5	Very high	88.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-34.7	176.3	-77.8	170.8	0	0	0	113.2	L230 N245 A248 Q249 V263 V278 L303 F304 Y305 T309 L310	L230-L307 HydrophobicContact CD1-CD2 3.83Å; N245-L307 PolarHBondContact ND2-O 3.26Å; N245-L307 WeakPolarHBondContact OD1-CB 3.38Å; A248-L307 HydrophobicContact CB-CD1 4.47Å; Q249-L307 HydrophobicContact CG-CD1 4.3Å; V263-L307 HydrophobicContact CG1-CD2 4.18Å; V278-L307 HydrophobicContact CG1-CD2 4.19Å; V278-L307 HydrophobicContact CG1-CG 4.41Å; V278-L307 HydrophobicContact CG2-CD2 4.32Å; L303-L307 HydrophobicContact CD2-CD1 4Å; L303-L307 HydrophobicContact CG-CD1 3.96Å; L303-L307 HydrophobicContact CG-CG 4.15Å; L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 WeakPolarHBondContact O-CG 3.19Å; L303-L307 PolarHBondContact O-N 3.13Å; F304-L307 HydrophobicContact CD1-CD1 4.37Å; Y305-L307 VanDerWaalsContact C-N 3.33Å; Y305-L307 PolarHBondContact O-N 3.13Å; L307-T309 PolarHBondContact O-N 2.95Å; L307-L310 HydrophobicContact CD2-CD1 3.85Å; L307-L310 PolarHBondContact O-N 3.4Å
308	S	88.2	Confident	88.5	Confident	74 Å²	74	49.6 Å²	49.6	52%	0.517	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-22.3	179.5	78.8	0	0	0	0	113.3	F304 Y305 D306	F304-S308 PolarHBondContact O-N 3.31Å; Y305-S308 WeakPolarHBondContact O-CB 3.42Å; Y305-S308 PolarHBondContact O-N 3.47Å; Y305-S308 PolarHBondContact O-OG 2.81Å; D306-S308 VanDerWaalsContact C-N 3.27Å; D306-S308 PolarHBondContact O-N 3.06Å
309	T	86.2	Confident	88.6	Confident	29 Å²	29	48.6 Å²	48.6	18%	0.178	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.6	-179.1	73.9	0	0	0	0	114.2	A280 D306 L307	A280-T309 HydrophobicContact CB-CG2 4.04Å; D306-T309 PolarHBondContact O-N 3Å; D306-T309 VanDerWaalsContact O-N 3.14Å; D306-T309 PolarHBondContact O-OG1 2.88Å; L307-T309 PolarHBondContact O-N 2.95Å
310	L	86.2	Confident	88.6	Confident	21 Å²	21	49.5 Å²	49.5	11%	0.11	26%	0.256	C	S	.	.			trans	-64.2	144.1	-172.7	-69.5	177.2	0	0	0	113.5	V278 L307	V278-L310 HydrophobicContact CG1-CD1 4.19Å; V278-L310 HydrophobicContact CG1-CD2 4.28Å; V278-L310 HydrophobicContact CG1-CG 4.35Å; V278-L310 HydrophobicContact CG2-CD1 4.05Å; L307-L310 HydrophobicContact CD2-CD1 3.85Å; L307-L310 PolarHBondContact O-N 3.4Å
311	K	87.2	Confident	88.5	Confident	154 Å²	154	48 Å²	48	67%	0.67	25%	0.249	S	C	*	.			trans	-134.1	137.2	-179.7	-65.3	174.7	-174.9	172.4	0	110.7
312	A	88.7	Confident	88.6	Confident	25 Å²	25	43.4 Å²	43.4	21%	0.207	23%	0.225	C	C	.	.			trans	-75.9	138.3	179.7	0	0	0	0	0	112.3	T232 M236 T237 L241	T232-A312 CarbonylContact O-C 3.49Å; T232-A312 VanDerWaalsContact O-CA 3.26Å; T232-A312 WeakPolarHBondContact O-CA 3.49Å; M236-A312 HydrophobicContact CB-CB 4.35Å; T237-A312 WeakPolarHBondContact OG1-CB 3.44Å; L241-A312 HydrophobicContact CD2-CB 4.14Å
313	R	87.2	Confident	88.7	Confident	69 Å²	69	45.6 Å²	45.6	26%	0.26	24%	0.236	S	C	.	.			trans	-169	165.1	-178.5	54.5	168.8	171.1	176.2	-5.5	112.5	T232 S233 G234 P267 G268 A269	T232-R313 PolarHBondContact O-N 2.91Å; S233-R313 CarbonylContact C-O 3.57Å; S233-R313 WeakPolarHBondContact CA-O 3.15Å; G234-R313 PolarHBondContact N-O 3.49Å; P267-R313 VanDerWaalsContact CG-O 3.23Å; P267-R313 WeakPolarHBondContact CG-O 3.46Å; G268-R313 PolarHBondContact O-NH2 2.55Å; A269-R313 PolarHBondContact O-NH1 2.9Å; A269-R313 PolarHBondContact O-NH2 3.5Å
314	G	85.4	Confident	88.6	Confident	34 Å²	34	47.8 Å²	47.8	35%	0.351	25%	0.245	S	C	.	.	S	Bend	trans	64.3	-158.3	171.5	0	0	0	0	0	114.9	G234 D271	G234-G314 PolarHBondContact N-O 3.02Å; D271-G314 WeakPolarHBondContact OD1-CA 3.45Å; D271-G314 PolarHBondContact OD1-N 3.46Å; D271-G314 VanDerWaalsContact OD1-N 3.15Å
315	Y	84.7	Confident	88.5	Confident	115 Å²	115	46.2 Å²	46.2	45%	0.451	24%	0.238	S	C	.	.			trans	-114.1	158.3	176.3	66.8	-120.3	0	0	0	112	P267 H272 D317	P267-Y315 WeakPolarHBondContact CD-O 3.47Å; P267-Y315 WeakPolarHBondContact CG-O 3.38Å; H272-Y315 HydrophobicContact CB-CE1 4.17Å; H272-Y315 AromaticContact CD2-CE1 3.59Å; H272-Y315 AromaticContact CE1-CD1 3.52Å; H272-Y315 AromaticContact CE1-CE1 3.29Å; H272-Y315 WeakPolarHBondContact CE1-CE1 3.37Å; H272-Y315 AromaticContact CG-CE1 3.36Å; H272-Y315 AromaticContact CG-CZ 3.61Å; H272-Y315 AromaticContact ND1-CD1 3.49Å; H272-Y315 WeakPolarHBondContact ND1-CD1 3.3Å; H272-Y315 AromaticContact ND1-CE1 3.15Å; H272-Y315 WeakPolarHBondContact ND1-CE1 3.49Å; H272-Y315 AromaticContact ND1-CZ 3.76Å; H272-Y315 AromaticContact NE2-CE1 3.55Å; Y315-D317 HydrophobicContact CE2-CB 4.33Å
316	S	86.2	Confident	88.6	Confident	29 Å²	29	40.7 Å²	40.7	20%	0.203	22%	0.217	C	C	.	.			trans	-86.9	135.3	173.6	31.5	0	0	0	0	111.9
317	D	89.2	Confident	88.5	Confident	68 Å²	68	44.2 Å²	44.2	36%	0.364	23%	0.233	S	C	.	.			trans	-122.6	91	173.2	-173.9	-29.2	0	0	0	108.6	Y315 P319 A320 S321	Y315-D317 HydrophobicContact CE2-CB 4.33Å; D317-P319 WeakPolarHBondContact OD1-CD 3.35Å; D317-A320 HydrophobicContact CB-CB 4.18Å; D317-A320 VanDerWaalsContact CG-CB 3.41Å; D317-A320 VanDerWaalsContact OD1-CB 3.22Å; D317-A320 WeakPolarHBondContact OD1-CB 3.38Å; D317-A320 PolarHBondContact OD1-N 3.1Å; D317-S321 WeakPolarHBondContact O-CB 3.05Å; D317-S321 PolarHBondContact O-N 2.68Å; D317-S321 PolarHBondContact O-OG 2.83Å
318	F	90.1	Very high	88.4	Confident	17 Å²	17	45.2 Å²	45.2	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-39	-177.8	-55.6	-71.7	0	0	0	113.7	F266 S321 L322 L351 T353 A356 F357 V363	F266-F318 AromaticContact CE2-CD1 3.64Å; F266-F318 HydrophobicContact CE2-CD1 3.64Å; F266-F318 AromaticContact CE2-CE1 3.55Å; F266-F318 HydrophobicContact CE2-CE1 3.55Å; F266-F318 HydrophobicContact CE2-CZ 4.41Å; F266-F318 AromaticContact CZ-CD1 3.79Å; F266-F318 HydrophobicContact CZ-CD1 3.79Å; F266-F318 AromaticContact CZ-CE1 3.65Å; F266-F318 HydrophobicContact CZ-CE1 3.65Å; F318-S321 WeakPolarHBondContact CA-OG 3.33Å; F318-S321 PolarHBondContact O-N 2.9Å; F318-S321 PolarHBondContact O-OG 3.46Å; F318-L322 WeakPolarHBondContact O-CB 3.21Å; F318-L322 WeakPolarHBondContact O-CG 3.49Å; F318-L322 PolarHBondContact O-N 3.47Å; F318-L351 HydrophobicContact CD1-CD2 4.39Å; F318-T353 HydrophobicContact CE1-CG2 4.41Å; F318-T353 WeakPolarHBondContact CE1-OG1 3.17Å; F318-T353 WeakPolarHBondContact CZ-OG1 3.33Å; F318-A356 HydrophobicContact CE2-CB 4.48Å; F318-A356 HydrophobicContact CZ-CB 4.35Å; F318-F357 HydrophobicContact CB-CD2 4.43Å; F318-F357 HydrophobicContact CB-CE2 4.21Å; F318-F357 AromaticContact CD1-CD2 3.56Å; F318-F357 HydrophobicContact CD1-CD2 3.56Å; F318-F357 AromaticContact CD1-CE2 4Å; F318-F357 HydrophobicContact CD1-CE2 4Å; F318-F357 HydrophobicContact CD2-CD2 4.18Å; F318-F357 HydrophobicContact CE1-CB 4.45Å; F318-F357 AromaticContact CE1-CD2 3.73Å; F318-F357 HydrophobicContact CE1-CD2 3.73Å; F318-F357 HydrophobicContact CE2-CB 4.49Å; F318-F357 HydrophobicContact CE2-CD2 4.33Å; F318-F357 AromaticContact CG-CD2 3.8Å; F318-F357 HydrophobicContact CG-CD2 3.8Å; F318-F357 HydrophobicContact CG-CE2 4.07Å; F318-F357 HydrophobicContact CZ-CB 4.17Å; F318-F357 HydrophobicContact CZ-CD2 4.11Å; F318-V363 HydrophobicContact CB-CG2 3.98Å
319	P	89.4	Confident	88.3	Confident	39 Å²	39	41.8 Å²	41.8	25%	0.253	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-43.2	174.3	-27	37.5	0	0	0	113.4	D317 K323 S362 V363	D317-P319 WeakPolarHBondContact OD1-CD 3.35Å; P319-K323 WeakPolarHBondContact O-CB 3.49Å; P319-K323 PolarHBondContact O-N 3.38Å; P319-S362 WeakPolarHBondContact CG-OG 3.34Å; P319-V363 HydrophobicContact CG-CG2 4.11Å
320	A	88.9	Confident	88.1	Confident	33 Å²	33	45.8 Å²	45.8	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-68.5	-37.6	175.2	0	0	0	0	0	112.1	D317 K323 F324	D317-A320 HydrophobicContact CB-CB 4.18Å; D317-A320 VanDerWaalsContact CG-CB 3.41Å; D317-A320 VanDerWaalsContact OD1-CB 3.22Å; D317-A320 WeakPolarHBondContact OD1-CB 3.38Å; D317-A320 PolarHBondContact OD1-N 3.1Å; A320-K323 PolarHBondContact O-N 2.99Å; A320-F324 PolarHBondContact O-N 3.48Å
321	S	90	Very high	87.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-42	-178.5	79.7	0	0	0	0	113.7	L229 D317 F318 F324 A325	L229-S321 WeakPolarHBondContact CD1-O 3.34Å; D317-S321 WeakPolarHBondContact O-CB 3.05Å; D317-S321 PolarHBondContact O-N 2.68Å; D317-S321 PolarHBondContact O-OG 2.83Å; F318-S321 WeakPolarHBondContact CA-OG 3.33Å; F318-S321 PolarHBondContact O-N 2.9Å; F318-S321 PolarHBondContact O-OG 3.46Å; S321-F324 PolarHBondContact O-N 2.68Å; S321-A325 PolarHBondContact O-N 2.7Å; S321-A325 VanDerWaalsContact O-N 3.14Å
322	L	91.4	Very high	87.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-45.1	171.2	-68.4	174.2	0	0	0	111.6	L229 F318 F324 A325 Y326 L349 V363 Q366 L367	L229-L322 HydrophobicContact CD1-CD2 4.26Å; F318-L322 WeakPolarHBondContact O-CB 3.21Å; F318-L322 WeakPolarHBondContact O-CG 3.49Å; F318-L322 PolarHBondContact O-N 3.47Å; L322-F324 PolarHBondContact O-N 3.26Å; L322-A325 PolarHBondContact O-N 2.95Å; L322-Y326 HydrophobicContact CB-CE2 4.12Å; L322-Y326 WeakPolarHBondContact O-CD2 3.44Å; L322-Y326 PolarHBondContact O-N 3.34Å; L322-L349 HydrophobicContact CD2-CD2 3.9Å; L322-V363 HydrophobicContact CD1-CG1 4.03Å; L322-Q366 HydrophobicContact CB-CB 4.04Å; L322-Q366 HydrophobicContact CD1-CB 4.14Å; L322-L367 HydrophobicContact CD1-CD2 4.01Å; L322-L367 HydrophobicContact CD1-CG 4.1Å; L322-L367 HydrophobicContact CD2-CD2 4.21Å
323	K	90.3	Very high	86.1	Confident	93 Å²	93	45.3 Å²	45.3	40%	0.404	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-45.9	178	-179.1	177.5	178.8	-73.9	0	112.1	P319 A320 Y326 E327	P319-K323 WeakPolarHBondContact O-CB 3.49Å; P319-K323 PolarHBondContact O-N 3.38Å; A320-K323 PolarHBondContact O-N 2.99Å; K323-Y326 PolarHBondContact O-N 3.47Å; K323-E327 WeakPolarHBondContact CE-OE1 2.96Å; K323-E327 IonicContact NZ-OE1 2.62Å; K323-E327 PolarHBondContact NZ-OE1 3.35Å; K323-E327 IonicContact NZ-OE2 2.82Å; K323-E327 PolarHBondContact NZ-OE2 3.01Å; K323-E327 WeakPolarHBondContact O-CG 3.48Å; K323-E327 PolarHBondContact O-N 3.46Å
324	F	90.5	Very high	84.6	Confident	49 Å²	49	47.9 Å²	47.9	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-46.1	177.5	175.7	-102.5	0	0	0	112.4	F227 A264 P275 I277 A320 S321 L322 Y326 E327 M328	F227-F324 HydrophobicContact CZ-CD1 4.01Å; F227-F324 AromaticContact CZ-CE1 3.9Å; F227-F324 HydrophobicContact CZ-CE1 3.9Å; A264-F324 HydrophobicContact CB-CD1 4.42Å; A264-F324 HydrophobicContact CB-CE1 3.8Å; P275-F324 HydrophobicContact CB-CB 4.32Å; P275-F324 HydrophobicContact CB-CD1 3.75Å; P275-F324 HydrophobicContact CB-CE1 4.25Å; P275-F324 HydrophobicContact CB-CG 4.05Å; P275-F324 HydrophobicContact CG-CB 3.87Å; P275-F324 HydrophobicContact CG-CD1 4.24Å; P275-F324 HydrophobicContact CG-CG 4.14Å; I277-F324 HydrophobicContact CG1-CZ 4.43Å; A320-F324 PolarHBondContact O-N 3.48Å; S321-F324 PolarHBondContact O-N 2.68Å; L322-F324 PolarHBondContact O-N 3.26Å; F324-Y326 VanDerWaalsContact C-N 3.33Å; F324-Y326 PolarHBondContact O-N 2.79Å; F324-E327 PolarHBondContact O-N 3.13Å; F324-M328 HydrophobicContact CE1-CG 4.18Å; F324-M328 HydrophobicContact CE2-CG 4.37Å; F324-M328 HydrophobicContact CZ-CG 4.08Å; F324-M328 WeakPolarHBondContact O-CG 3.48Å; F324-M328 PolarHBondContact O-N 2.8Å
325	A	91.2	Very high	83	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-40	177.9	0	0	0	0	0	112.2	F227 L229 S321 L322 M328 F329 L349	F227-A325 HydrophobicContact CD1-CB 4.34Å; F227-A325 HydrophobicContact CD2-CB 3.89Å; F227-A325 HydrophobicContact CE1-CB 4.24Å; F227-A325 HydrophobicContact CE2-CB 3.79Å; F227-A325 HydrophobicContact CG-CB 4.21Å; F227-A325 HydrophobicContact CZ-CB 3.97Å; L229-A325 HydrophobicContact CD1-CB 4.01Å; L229-A325 HydrophobicContact CG-CB 4.25Å; S321-A325 PolarHBondContact O-N 2.7Å; S321-A325 VanDerWaalsContact O-N 3.14Å; L322-A325 PolarHBondContact O-N 2.95Å; A325-M328 WeakPolarHBondContact O-CB 3.48Å; A325-M328 PolarHBondContact O-N 2.79Å; A325-F329 VanDerWaalsContact O-CD2 3.26Å; A325-F329 WeakPolarHBondContact O-CD2 3.34Å; A325-F329 PolarHBondContact O-N 3.24Å; A325-L349 HydrophobicContact CB-CD1 3.73Å; A325-L349 HydrophobicContact CB-CD2 4.19Å
326	Y	89.5	Confident	81.3	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-38.3	175.2	-62.6	-42.8	0	0	0	113.2	L322 K323 F324 M328 F329 R330 L349 Q366 Q370 I374	L322-Y326 HydrophobicContact CB-CE2 4.12Å; L322-Y326 WeakPolarHBondContact O-CD2 3.44Å; L322-Y326 PolarHBondContact O-N 3.34Å; K323-Y326 PolarHBondContact O-N 3.47Å; F324-Y326 VanDerWaalsContact C-N 3.33Å; F324-Y326 PolarHBondContact O-N 2.79Å; Y326-M328 VanDerWaalsContact C-N 3.32Å; Y326-M328 PolarHBondContact O-N 2.99Å; Y326-F329 PolarHBondContact O-N 2.84Å; Y326-R330 PolarHBondContact O-N 3.45Å; Y326-L349 HydrophobicContact CE1-CD2 3.93Å; Y326-Q366 HydrophobicContact CE2-CB 4.32Å; Y326-Q366 WeakPolarHBondContact CE2-O 3.21Å; Y326-Q370 HydrophobicContact CD1-CB 4.04Å; Y326-Q370 HydrophobicContact CD2-CB 3.88Å; Y326-Q370 HydrophobicContact CD2-CG 3.89Å; Y326-Q370 HydrophobicContact CE1-CB 4.39Å; Y326-Q370 HydrophobicContact CE2-CB 4.24Å; Y326-Q370 HydrophobicContact CG-CB 3.78Å; Y326-Q370 HydrophobicContact CG-CG 3.97Å; Y326-I374 HydrophobicContact CD1-CD1 3.67Å; Y326-I374 HydrophobicContact CE1-CD1 4Å; Y326-I374 HydrophobicContact CE1-CG2 4.41Å
327	E	87.8	Confident	79.7	Confident	75 Å²	75	50.4 Å²	50.4	35%	0.35	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-38	173.7	-74.9	176.9	153.8	0	0	111.7	K323 F324 R330 N331	K323-E327 WeakPolarHBondContact CE-OE1 2.96Å; K323-E327 IonicContact NZ-OE1 2.62Å; K323-E327 PolarHBondContact NZ-OE1 3.35Å; K323-E327 IonicContact NZ-OE2 2.82Å; K323-E327 PolarHBondContact NZ-OE2 3.01Å; K323-E327 WeakPolarHBondContact O-CG 3.48Å; K323-E327 PolarHBondContact O-N 3.46Å; F324-E327 PolarHBondContact O-N 3.13Å; E327-R330 PolarHBondContact O-N 2.88Å; E327-N331 WeakPolarHBondContact O-CB 3.33Å; E327-N331 PolarHBondContact O-N 3.29Å; E327-N331 PolarHBondContact O-OD1 3.49Å
328	M	87.6	Confident	77.8	Confident	21 Å²	21	50.2 Å²	50.2	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-45.9	171.2	-78.8	-76.4	-71	0	0	112.7	F227 T262 I277 F292 F324 A325 Y326 R330 N331 L332	F227-M328 HydrophobicContact CD1-CB 4.21Å; F227-M328 HydrophobicContact CE1-CB 3.7Å; F227-M328 HydrophobicContact CE1-CE 4.22Å; F227-M328 HydrophobicContact CE1-CG 3.91Å; T262-M328 HydrophobicContact CG2-CE 4.27Å; I277-M328 HydrophobicContact CD1-CE 3.8Å; I277-M328 HydrophobicContact CG1-CE 4.5Å; F292-M328 HydrophobicContact CD2-CE 4.24Å; F292-M328 HydrophobicContact CE2-CB 4.38Å; F292-M328 HydrophobicContact CE2-CE 4.3Å; F324-M328 HydrophobicContact CE1-CG 4.18Å; F324-M328 HydrophobicContact CE2-CG 4.37Å; F324-M328 HydrophobicContact CZ-CG 4.08Å; F324-M328 WeakPolarHBondContact O-CG 3.48Å; F324-M328 PolarHBondContact O-N 2.8Å; A325-M328 WeakPolarHBondContact O-CB 3.48Å; A325-M328 PolarHBondContact O-N 2.79Å; Y326-M328 VanDerWaalsContact C-N 3.32Å; Y326-M328 PolarHBondContact O-N 2.99Å; M328-R330 VanDerWaalsContact C-N 3.26Å; M328-R330 PolarHBondContact O-N 3.38Å; M328-N331 PolarHBondContact O-N 3.19Å; M328-L332 PolarHBondContact O-N 2.85Å; M328-L332 VanDerWaalsContact O-N 3.1Å
329	F	86.1	Confident	76.2	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.013	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-26.3	174.4	-84.5	-60.6	0	0	0	114	D225 F227 F292 A325 Y326 L332 T333 K347 I348 L349 I374	D225-F329 HydrophobicContact CB-CE1 4.02Å; D225-F329 WeakPolarHBondContact O-CE1 3.4Å; F227-F329 HydrophobicContact CB-CE2 3.53Å; F227-F329 HydrophobicContact CB-CZ 3.53Å; F227-F329 HydrophobicContact CG-CE2 4.25Å; F292-F329 HydrophobicContact CE1-CD1 4.47Å; F292-F329 AromaticContact CE1-CE1 3.83Å; F292-F329 HydrophobicContact CE1-CE1 3.83Å; F292-F329 HydrophobicContact CE1-CZ 4.23Å; F292-F329 AromaticContact CZ-CD1 3.76Å; F292-F329 HydrophobicContact CZ-CD1 3.76Å; F292-F329 AromaticContact CZ-CE1 3.47Å; F292-F329 HydrophobicContact CZ-CE1 3.47Å; F292-F329 VanDerWaalsContact CZ-CE1 3.47Å; F292-F329 HydrophobicContact CZ-CE2 4.46Å; F292-F329 HydrophobicContact CZ-CG 4.39Å; F292-F329 AromaticContact CZ-CZ 3.86Å; F292-F329 HydrophobicContact CZ-CZ 3.86Å; A325-F329 VanDerWaalsContact O-CD2 3.26Å; A325-F329 WeakPolarHBondContact O-CD2 3.34Å; A325-F329 PolarHBondContact O-N 3.24Å; Y326-F329 PolarHBondContact O-N 2.84Å; F329-L332 HydrophobicContact CD1-CD1 4.24Å; F329-T333 PolarHBondContact O-OG1 3.1Å; F329-K347 HydrophobicContact CD1-CB 4.05Å; F329-K347 HydrophobicContact CD1-CD 3.71Å; F329-K347 HydrophobicContact CD1-CG 3.94Å; F329-K347 HydrophobicContact CE1-CB 3.74Å; F329-K347 HydrophobicContact CE1-CD 4.24Å; F329-K347 HydrophobicContact CE1-CG 3.95Å; F329-K347 HydrophobicContact CG-CD 4.38Å; F329-K347 HydrophobicContact CZ-CB 4.3Å; F329-K347 PolarHBondContact O-NZ 2.78Å; F329-I348 WeakPolarHBondContact CZ-O 3.45Å; F329-L349 HydrophobicContact CE2-CB 4.2Å; F329-I374 HydrophobicContact CB-CD1 3.95Å; F329-I374 HydrophobicContact CD2-CD1 3.85Å; F329-I374 HydrophobicContact CE2-CG2 4.24Å; F329-I374 HydrophobicContact CG-CD1 3.99Å
330	R	81.5	Confident	74.6	Confident	112 Å²	112	49.7 Å²	49.7	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-74.6	-52.6	173.1	-171	-172	68	87.4	13	110.8	Y326 E327 M328 L332 T333 E334	Y326-R330 PolarHBondContact O-N 3.45Å; E327-R330 PolarHBondContact O-N 2.88Å; M328-R330 VanDerWaalsContact C-N 3.26Å; M328-R330 PolarHBondContact O-N 3.38Å; R330-L332 PolarHBondContact O-N 3.02Å; R330-T333 WeakPolarHBondContact O-CA 3.08Å; R330-T333 WeakPolarHBondContact O-CB 3.21Å; R330-T333 PolarHBondContact O-N 3.01Å; R330-T333 PolarHBondContact O-OG1 3.43Å; R330-E334 WeakPolarHBondContact CG-OE1 3.29Å; R330-E334 IonicContact CZ-OE1 3.61Å; R330-E334 IonicContact CZ-OE2 2.83Å; R330-E334 IonicContact NE-OE1 3.87Å; R330-E334 IonicContact NH1-OE1 2.68Å; R330-E334 PolarHBondContact NH1-OE1 3.03Å; R330-E334 IonicContact NH1-OE2 3.21Å; R330-E334 PolarHBondContact NH1-OE2 3.42Å; R330-E334 IonicContact NH2-OE2 3.79Å; R330-E334 PolarHBondContact O-N 3.2Å
331	N	80.1	Confident	72.8	Confident	75 Å²	75	49.9 Å²	49.9	40%	0.401	28%	0.282	S	S	.	.	H	α-helix	trans	-53.7	-41.7	179.5	-67.6	-8.6	0	0	0	111.5	E327 M328 T333 E334 S335	E327-N331 WeakPolarHBondContact O-CB 3.33Å; E327-N331 PolarHBondContact O-N 3.29Å; E327-N331 PolarHBondContact O-OD1 3.49Å; M328-N331 PolarHBondContact O-N 3.19Å; N331-T333 PolarHBondContact O-N 3.15Å; N331-T333 VanDerWaalsContact O-N 3.17Å; N331-E334 PolarHBondContact O-N 3.43Å; N331-E334 VanDerWaalsContact O-N 3.14Å; N331-S335 WeakPolarHBondContact O-CB 3.24Å; N331-S335 PolarHBondContact O-N 3.14Å; N331-S335 PolarHBondContact O-OG 2.78Å; N331-S335 VanDerWaalsContact O-OG 3.11Å
332	L	74.1	Confident	71	Confident	15 Å²	15	60.5 Å²	60.5	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-50.3	-35.6	171.9	-99.8	-174.3	0	0	0	115	D225 F292 M328 F329 R330 S335	D225-L332 HydrophobicContact CB-CD1 4.44Å; F292-L332 HydrophobicContact CB-CD1 4.42Å; F292-L332 HydrophobicContact CB-CD2 4.31Å; F292-L332 HydrophobicContact CD1-CD1 4.07Å; F292-L332 HydrophobicContact CD2-CD1 3.43Å; F292-L332 VanDerWaalsContact CD2-CD1 3.43Å; F292-L332 HydrophobicContact CD2-CD2 4.24Å; F292-L332 HydrophobicContact CD2-CG 3.8Å; F292-L332 HydrophobicContact CE1-CD1 4.02Å; F292-L332 HydrophobicContact CE2-CD1 3.38Å; F292-L332 HydrophobicContact CE2-CG 3.99Å; F292-L332 HydrophobicContact CG-CD1 3.77Å; F292-L332 HydrophobicContact CG-CD2 4.47Å; F292-L332 HydrophobicContact CG-CG 4.37Å; F292-L332 HydrophobicContact CZ-CD1 3.67Å; M328-L332 PolarHBondContact O-N 2.85Å; M328-L332 VanDerWaalsContact O-N 3.1Å; F329-L332 HydrophobicContact CD1-CD1 4.24Å; R330-L332 PolarHBondContact O-N 3.02Å; L332-S335 PolarHBondContact O-OG 3.25Å
333	T	66.2	Low	69.4	Low	100 Å²	100	63.6 Å²	63.6	61%	0.613	34%	0.343	S	S	*	.	H	α-helix	trans	-86.5	-22.2	-174.2	-36	0	0	0	0	111.7	F329 R330 N331 K347	F329-T333 PolarHBondContact O-OG1 3.1Å; R330-T333 WeakPolarHBondContact O-CA 3.08Å; R330-T333 WeakPolarHBondContact O-CB 3.21Å; R330-T333 PolarHBondContact O-N 3.01Å; R330-T333 PolarHBondContact O-OG1 3.43Å; N331-T333 PolarHBondContact O-N 3.15Å; N331-T333 VanDerWaalsContact O-N 3.17Å; T333-K347 PolarHBondContact OG1-NZ 2.72Å
334	E	55.4	Low	68.2	Low	123 Å²	123	63.2 Å²	63.2	58%	0.575	35%	0.345	S	S	*	.	H	α-helix	trans	-93.2	-29.2	178.9	-68.7	170.1	-164	0	0	111.4	R330 N331 A336	R330-E334 WeakPolarHBondContact CG-OE1 3.29Å; R330-E334 IonicContact CZ-OE1 3.61Å; R330-E334 IonicContact CZ-OE2 2.83Å; R330-E334 IonicContact NE-OE1 3.87Å; R330-E334 IonicContact NH1-OE1 2.68Å; R330-E334 PolarHBondContact NH1-OE1 3.03Å; R330-E334 IonicContact NH1-OE2 3.21Å; R330-E334 PolarHBondContact NH1-OE2 3.42Å; R330-E334 IonicContact NH2-OE2 3.79Å; R330-E334 PolarHBondContact O-N 3.2Å; N331-E334 PolarHBondContact O-N 3.43Å; N331-E334 VanDerWaalsContact O-N 3.14Å; E334-A336 PolarHBondContact O-N 3.41Å
335	S	53.6	Low	67.4	Low	52 Å²	52	62 Å²	62	36%	0.364	34%	0.339	S	S	.	.			trans	-79	100	176.5	64.1	0	0	0	0	112.2	N331 L332 R337	N331-S335 WeakPolarHBondContact O-CB 3.24Å; N331-S335 PolarHBondContact O-N 3.14Å; N331-S335 PolarHBondContact O-OG 2.78Å; N331-S335 VanDerWaalsContact O-OG 3.11Å; L332-S335 PolarHBondContact O-OG 3.25Å; S335-R337 PolarHBondContact O-N 3.07Å
336	A	49.2	Very low	66.8	Low	103 Å²	103	62.5 Å²	62.5	85%	0.851	34%	0.341	S	S	*	.			trans	-71.8	61.3	170.1	0	0	0	0	0	112.5	E334 G338	E334-A336 PolarHBondContact O-N 3.41Å; A336-G338 PolarHBondContact O-N 3.03Å
337	R	52.3	Low	66.7	Low	76 Å²	76	64.2 Å²	64.2	29%	0.287	35%	0.349	S	S	.	.			trans	-63.9	125.6	168.3	-84	-170.8	173.5	-179.6	1.2	108.7	N290 S335 D339 R340	N290-R337 PolarHBondContact OD1-NH2 3.45Å; N290-R337 VanDerWaalsContact OD1-NH2 3.12Å; S335-R337 PolarHBondContact O-N 3.07Å; R337-D339 PolarHBondContact O-N 2.9Å; R337-R340 PolarHBondContact O-N 3.19Å
338	G	49.3	Very low	66.7	Low	64 Å²	64	60.7 Å²	60.7	66%	0.66	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-13	-171.2	0	0	0	0	0	117	A336 R340	A336-G338 PolarHBondContact O-N 3.03Å; G338-R340 VanDerWaalsContact C-N 3.33Å
339	D	55.8	Low	66.9	Low	11 Å²	11	59.7 Å²	59.7	6%	0.059	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.2	169.4	91.8	61.1	0	0	0	112.2	Y260 R337 R1415	Y260-D339 VanDerWaalsContact OH-CG 3.24Å; Y260-D339 PolarHBondContact OH-OD1 2.62Å; R337-D339 PolarHBondContact O-N 2.9Å; D339-R1415 HydrophobicContact CB-CG 4.15Å; D339-R1415 PolarHBondContact O-NH2 3.31Å; D339-R1415 VanDerWaalsContact O-NH2 3.14Å; D339-R1415 IonicContact OD1-CZ 2.7Å; D339-R1415 IonicContact OD1-NE 3.25Å; D339-R1415 PolarHBondContact OD1-NE 2.87Å; D339-R1415 IonicContact OD1-NH2 2.88Å; D339-R1415 PolarHBondContact OD1-NH2 2.85Å
340	R	56.4	Low	67.3	Low	34 Å²	34	59.6 Å²	59.6	13%	0.128	33%	0.327	C	S	.	.	S	Bend	trans	-95.2	101.6	-177.4	-61.1	-174.5	177.9	-114.3	7.9	109	D225 F292 R337 G338	D225-R340 IonicContact OD1-CZ 3.46Å; D225-R340 IonicContact OD1-NH1 2.68Å; D225-R340 PolarHBondContact OD1-NH1 3.31Å; D225-R340 IonicContact OD1-NH2 2.77Å; D225-R340 IonicContact OD2-NH1 3.47Å; F292-R340 PolarHBondContact O-NH2 2.89Å; R337-R340 PolarHBondContact O-N 3.19Å; G338-R340 VanDerWaalsContact C-N 3.33Å
341	G	50.1	Low	67.8	Low	37 Å²	37	54.3 Å²	54.3	38%	0.381	31%	0.307	S	S	.	.			trans	-53.3	161.7	162.5	0	0	0	0	0	111.4	E343	G341-E343 PolarHBondContact O-N 2.97Å
342	K	52.3	Low	68.4	Low	223 Å²	223	50.7 Å²	50.7	97%	0.97	29%	0.288	S	S	*	.	S	Bend	trans	-73.8	42.9	179.7	-64.4	-178.3	176.7	178.1	0	112.5
343	E	57.9	Low	69.3	Low	67 Å²	67	50 Å²	50	31%	0.313	28%	0.284	S	S	.	.			trans	-116.5	159.3	-155.4	-69.1	179.4	-164.2	0	0	113.1	G341 Q1417	G341-E343 PolarHBondContact O-N 2.97Å; E343-Q1417 WeakPolarHBondContact OE2-CB 3.45Å; E343-Q1417 WeakPolarHBondContact OE2-CG 3.28Å
344	L	64.4	Low	70.3	Confident	85 Å²	85	45.9 Å²	45.9	45%	0.445	26%	0.258	S	S	.	.			trans	-89.2	121.4	-161.9	-71.3	159.2	0	0	0	110.9	L1423	L344-L1423 HydrophobicContact CB-CB 3.94Å; L344-L1423 HydrophobicContact CB-CD1 3.92Å; L344-L1423 HydrophobicContact CB-CG 3.8Å; L344-L1423 HydrophobicContact CD1-CB 4.17Å; L344-L1423 HydrophobicContact CD2-CB 4.41Å; L344-L1423 HydrophobicContact CG-CB 4.4Å
345	R	75.1	Confident	71.2	Confident	24 Å²	24	42.7 Å²	42.7	9%	0.091	25%	0.246	C	C	.	.			trans	-125.5	147.5	-177.2	-70.4	178.1	165.8	-103.7	-13	111.5	P223 K224 D225 D258 K347 Q1417	P223-R345 WeakPolarHBondContact O-CA 3.5Å; K224-R345 PolarHBondContact O-NH1 2.86Å; D225-R345 WeakPolarHBondContact OD2-CB 3.43Å; D225-R345 VanDerWaalsContact OD2-CD 3.31Å; D225-R345 WeakPolarHBondContact OD2-CD 3.42Å; D258-R345 VanDerWaalsContact O-CZ 3.27Å; D258-R345 PolarHBondContact O-NH1 2.94Å; D258-R345 PolarHBondContact O-NH2 3.28Å; R345-K347 PolarHBondContact O-N 2.88Å; R345-Q1417 VanDerWaalsContact NE-OE1 3.08Å
346	N	79	Confident	72	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.053	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	107.4	171.9	-94.1	-4.3	0	0	0	109.5	V222 P223 K224 D225 S422 R426	V222-N346 HydrophobicContact CG2-CB 4.25Å; V222-N346 WeakPolarHBondContact CG2-ND2 3.43Å; P223-N346 PolarHBondContact O-N 2.96Å; K224-N346 WeakPolarHBondContact CA-O 3.11Å; K224-N346 HydrophobicContact CG-CB 4.14Å; D225-N346 PolarHBondContact N-O 3Å; N346-S422 PolarHBondContact ND2-O 2.84Å; N346-R426 PolarHBondContact OD1-NE 2.64Å
347	K	85.6	Confident	73.3	Confident	38 Å²	38	37.4 Å²	37.4	17%	0.165	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.7	174.7	-66.6	-174.5	175	-170.2	0	110.2	D225 F329 T333 R345 I374 T375	D225-K347 HydrophobicContact CB-CG 4.39Å; F329-K347 HydrophobicContact CD1-CB 4.05Å; F329-K347 HydrophobicContact CD1-CD 3.71Å; F329-K347 HydrophobicContact CD1-CG 3.94Å; F329-K347 HydrophobicContact CE1-CB 3.74Å; F329-K347 HydrophobicContact CE1-CD 4.24Å; F329-K347 HydrophobicContact CE1-CG 3.95Å; F329-K347 HydrophobicContact CG-CD 4.38Å; F329-K347 HydrophobicContact CZ-CB 4.3Å; F329-K347 PolarHBondContact O-NZ 2.78Å; T333-K347 PolarHBondContact OG1-NZ 2.72Å; R345-K347 PolarHBondContact O-N 2.88Å; K347-I374 HydrophobicContact CB-CG1 3.99Å; K347-I374 HydrophobicContact CD-CG1 4.29Å; K347-T375 PolarHBondContact O-N 3.36Å
348	I	88.3	Confident	74.7	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.6	-173.2	-58.7	168.5	0	0	0	109.7	K224 D225 L226 F227 F329 V350 T375 F377 F418	K224-I348 HydrophobicContact CB-CD1 4.3Å; K224-I348 HydrophobicContact CD-CD1 3.78Å; K224-I348 HydrophobicContact CG-CD1 3.76Å; D225-I348 PolarHBondContact O-N 2.79Å; L226-I348 HydrophobicContact CD1-CB 4.14Å; L226-I348 HydrophobicContact CD1-CG2 3.92Å; F227-I348 PolarHBondContact N-O 3.03Å; F329-I348 WeakPolarHBondContact CZ-O 3.45Å; I348-V350 HydrophobicContact CG2-CG2 4.23Å; I348-T375 WeakPolarHBondContact CA-O 3.42Å; I348-F377 HydrophobicContact CG2-CD2 3.68Å; I348-F377 HydrophobicContact CG2-CE2 3.65Å; I348-F418 HydrophobicContact CD1-CZ 4.43Å; I348-F418 HydrophobicContact CG2-CE2 4.05Å
349	L	92	Very high	76.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.1	172.4	-179.6	56.3	0	0	0	109.1	F227 L229 L322 A325 Y326 F329 I374 T375 T376 F377	F227-L349 HydrophobicContact CB-CD1 3.98Å; F227-L349 HydrophobicContact CD2-CD1 3.64Å; F227-L349 HydrophobicContact CG-CD1 4.07Å; L229-L349 HydrophobicContact CD1-CD1 4.02Å; L229-L349 HydrophobicContact CG-CD1 4.11Å; L322-L349 HydrophobicContact CD2-CD2 3.9Å; A325-L349 HydrophobicContact CB-CD1 3.73Å; A325-L349 HydrophobicContact CB-CD2 4.19Å; Y326-L349 HydrophobicContact CE1-CD2 3.93Å; F329-L349 HydrophobicContact CE2-CB 4.2Å; L349-I374 HydrophobicContact CB-CG2 4.06Å; L349-T375 PolarHBondContact N-O 3.42Å; L349-T376 HydrophobicContact CB-CG2 4.12Å; L349-T376 HydrophobicContact CD2-CG2 4.07Å; L349-T376 HydrophobicContact CG-CG2 4.01Å; L349-T376 CarbonylContact O-C 3.6Å; L349-T376 VanDerWaalsContact O-CA 3.29Å; L349-T376 WeakPolarHBondContact O-CA 3.4Å; L349-F377 PolarHBondContact O-N 3.19Å
350	V	93.7	Very high	77.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.7	171.5	175.3	0	0	0	0	108.8	L226 F227 I228 L229 L251 I348 L352 F377 Y379 F418	L226-V350 HydrophobicContact CD1-CB 4.45Å; L226-V350 HydrophobicContact CD1-CG2 3.65Å; F227-V350 PolarHBondContact O-N 3.31Å; I228-V350 CarbonylContact C-O 3.55Å; I228-V350 WeakPolarHBondContact CA-O 3.47Å; I228-V350 HydrophobicContact CG1-CB 4.32Å; I228-V350 HydrophobicContact CG2-CG1 4.42Å; L229-V350 PolarHBondContact N-O 3.39Å; L251-V350 HydrophobicContact CD1-CG1 3.89Å; L251-V350 HydrophobicContact CD1-CG2 4.4Å; I348-V350 HydrophobicContact CG2-CG2 4.23Å; V350-L352 HydrophobicContact CG1-CG 4.25Å; V350-F377 CarbonylContact C-O 3.54Å; V350-F377 WeakPolarHBondContact CA-O 3.48Å; V350-F377 HydrophobicContact CG2-CB 4.25Å; V350-Y379 HydrophobicContact CG1-CD2 3.73Å; V350-Y379 HydrophobicContact CG1-CE2 3.87Å; V350-F418 HydrophobicContact CG2-CE2 4.16Å
351	L	93.3	Very high	79.2	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.1	172.5	179	62.3	0	0	0	109.3	L229 F266 F318 T353 F357 F377 I378 Y379	L229-L351 HydrophobicContact CB-CD1 3.62Å; L229-L351 HydrophobicContact CD1-CD1 4.26Å; L229-L351 WeakPolarHBondContact O-CA 3.21Å; F266-L351 HydrophobicContact CE1-CD1 3.75Å; F266-L351 HydrophobicContact CZ-CD1 3.74Å; F318-L351 HydrophobicContact CD1-CD2 4.39Å; L351-T353 HydrophobicContact CD2-CG2 4.38Å; L351-T353 HydrophobicContact CG-CG2 4.12Å; L351-F357 HydrophobicContact CD2-CD2 3.57Å; L351-F357 HydrophobicContact CD2-CE2 3.3Å; L351-F357 HydrophobicContact CD2-CZ 4.13Å; L351-F377 PolarHBondContact N-O 3.08Å; L351-I378 HydrophobicContact CB-CG1 4.46Å; L351-I378 HydrophobicContact CD2-CG1 4.48Å; L351-I378 HydrophobicContact CD2-CG2 4.42Å; L351-Y379 PolarHBondContact O-N 2.89Å
352	L	93.2	Very high	81	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.9	174.4	-74.4	160	0	0	0	108.6	I228 L229 L230 D231 A244 A248 V350 Y379 L381	I228-L352 HydrophobicContact CG2-CD1 3.79Å; L229-L352 PolarHBondContact O-N 3.19Å; L230-L352 HydrophobicContact CG-CD1 4.48Å; D231-L352 WeakPolarHBondContact CB-O 3.45Å; D231-L352 PolarHBondContact N-O 2.98Å; A244-L352 HydrophobicContact CB-CB 4.38Å; A248-L352 HydrophobicContact CB-CD1 3.96Å; V350-L352 HydrophobicContact CG1-CG 4.25Å; L352-Y379 HydrophobicContact CD2-CD2 4.37Å; L352-Y379 HydrophobicContact CD2-CG 4.47Å; L352-L381 HydrophobicContact CB-CD1 4.32Å; L352-L381 HydrophobicContact CD2-CD1 4.17Å; L352-L381 HydrophobicContact CD2-CD2 4.22Å
353	T	91.8	Very high	82.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	167.3	-174.2	179.5	0	0	0	0	109.7	D231 F318 L351 F357 Y379 S380 L381	D231-T353 WeakPolarHBondContact OD2-CB 3.05Å; D231-T353 PolarHBondContact OD2-OG1 3.4Å; F318-T353 HydrophobicContact CE1-CG2 4.41Å; F318-T353 WeakPolarHBondContact CE1-OG1 3.17Å; F318-T353 WeakPolarHBondContact CZ-OG1 3.33Å; L351-T353 HydrophobicContact CD2-CG2 4.38Å; L351-T353 HydrophobicContact CG-CG2 4.12Å; T353-F357 HydrophobicContact CG2-CB 3.72Å; T353-F357 HydrophobicContact CG2-CD2 4.29Å; T353-F357 HydrophobicContact CG2-CG 4.23Å; T353-Y379 PolarHBondContact N-O 3.45Å; T353-Y379 VanDerWaalsContact N-O 3.12Å; T353-Y379 VanDerWaalsContact O-O 3.08Å; T353-S380 CarbonylContact O-C 3.6Å; T353-S380 VanDerWaalsContact O-CA 3.32Å; T353-S380 WeakPolarHBondContact O-CA 3.43Å; T353-L381 WeakPolarHBondContact O-CB 3.49Å; T353-L381 VanDerWaalsContact O-CG 3.29Å; T353-L381 WeakPolarHBondContact O-CG 3.35Å; T353-L381 PolarHBondContact O-N 3.08Å
354	D	86.7	Confident	84	Confident	13 Å²	13	32.9 Å²	32.9	7%	0.07	18%	0.178	C	C	.	.			trans	-85.9	-121.5	-179	58.3	28	0	0	0	112.3	S235 M236 A356 S380 L381	S235-D354 VanDerWaalsContact C-OD2 3.27Å; S235-D354 WeakPolarHBondContact CB-OD2 3.11Å; S235-D354 PolarHBondContact OG-OD2 2.94Å; M236-D354 HydrophobicContact SD-CB 3.65Å; D354-A356 WeakPolarHBondContact OD1-CB 3.29Å; D354-A356 PolarHBondContact OD1-N 2.7Å; D354-S380 WeakPolarHBondContact O-CB 3.35Å; D354-S380 PolarHBondContact O-OG 3.09Å; D354-L381 WeakPolarHBondContact CA-O 3.3Å
355	N	73.9	Confident	85	Confident	57 Å²	57	31.2 Å²	31.2	31%	0.305	17%	0.173	S	C	.	.	S	Bend	trans	-105.4	-0.7	176.9	-71.2	-33.7	0	0	0	112.3	F357 S380 E383 V385	N355-F357 VanDerWaalsContact C-N 3.3Å; N355-F357 PolarHBondContact O-N 3.09Å; N355-S380 PolarHBondContact OD1-OG 3.48Å; N355-E383 PolarHBondContact ND2-O 3.36Å; N355-E383 PolarHBondContact OD1-O 3.17Å; N355-V385 HydrophobicContact CB-CG1 3.76Å; N355-V385 HydrophobicContact CB-CG2 4.41Å; N355-V385 WeakPolarHBondContact OD1-CG2 3.41Å
356	A	71	Confident	85.5	Confident	40 Å²	40	31.6 Å²	31.6	33%	0.331	18%	0.176	S	C	.	.			trans	-73	-16.5	178.4	0	0	0	0	0	114	F318 D354 V358	F318-A356 HydrophobicContact CE2-CB 4.48Å; F318-A356 HydrophobicContact CZ-CB 4.35Å; D354-A356 WeakPolarHBondContact OD1-CB 3.29Å; D354-A356 PolarHBondContact OD1-N 2.7Å; A356-V358 PolarHBondContact O-N 2.8Å
357	F	77.9	Confident	85.6	Confident	3 Å²	3	31.2 Å²	31.2	1%	0.013	17%	0.174	C	C	.	.			trans	-70	114.5	-179.2	-171	-91.6	0	0	0	112.3	F318 L351 T353 N355 F359 V363 I378 H391	F318-F357 HydrophobicContact CB-CD2 4.43Å; F318-F357 HydrophobicContact CB-CE2 4.21Å; F318-F357 AromaticContact CD1-CD2 3.56Å; F318-F357 HydrophobicContact CD1-CD2 3.56Å; F318-F357 AromaticContact CD1-CE2 4Å; F318-F357 HydrophobicContact CD1-CE2 4Å; F318-F357 HydrophobicContact CD2-CD2 4.18Å; F318-F357 HydrophobicContact CE1-CB 4.45Å; F318-F357 AromaticContact CE1-CD2 3.73Å; F318-F357 HydrophobicContact CE1-CD2 3.73Å; F318-F357 HydrophobicContact CE2-CB 4.49Å; F318-F357 HydrophobicContact CE2-CD2 4.33Å; F318-F357 AromaticContact CG-CD2 3.8Å; F318-F357 HydrophobicContact CG-CD2 3.8Å; F318-F357 HydrophobicContact CG-CE2 4.07Å; F318-F357 HydrophobicContact CZ-CB 4.17Å; F318-F357 HydrophobicContact CZ-CD2 4.11Å; L351-F357 HydrophobicContact CD2-CD2 3.57Å; L351-F357 HydrophobicContact CD2-CE2 3.3Å; L351-F357 HydrophobicContact CD2-CZ 4.13Å; T353-F357 HydrophobicContact CG2-CB 3.72Å; T353-F357 HydrophobicContact CG2-CD2 4.29Å; T353-F357 HydrophobicContact CG2-CG 4.23Å; N355-F357 VanDerWaalsContact C-N 3.3Å; N355-F357 PolarHBondContact O-N 3.09Å; F357-F359 HydrophobicContact CD1-CD2 4.12Å; F357-F359 AromaticContact CD1-CE2 3.92Å; F357-F359 HydrophobicContact CD1-CE2 3.92Å; F357-F359 HydrophobicContact CD1-CZ 4.39Å; F357-F359 HydrophobicContact CE1-CD1 4.14Å; F357-F359 AromaticContact CE1-CD2 3.77Å; F357-F359 HydrophobicContact CE1-CD2 3.77Å; F357-F359 AromaticContact CE1-CE1 3.93Å; F357-F359 HydrophobicContact CE1-CE1 3.93Å; F357-F359 AromaticContact CE1-CE2 3.53Å; F357-F359 HydrophobicContact CE1-CE2 3.53Å; F357-F359 HydrophobicContact CE1-CG 4.06Å; F357-F359 AromaticContact CE1-CZ 3.61Å; F357-F359 HydrophobicContact CE1-CZ 3.61Å; F357-V363 HydrophobicContact CE1-CG1 4.35Å; F357-V363 HydrophobicContact CE2-CG1 4.11Å; F357-V363 HydrophobicContact CZ-CG1 3.56Å; F357-I378 HydrophobicContact CD1-CG2 4.17Å; F357-I378 HydrophobicContact CE1-CD1 4.01Å; F357-I378 HydrophobicContact CE1-CG2 4.23Å; F357-I378 HydrophobicContact CG-CG2 4.46Å; F357-I378 HydrophobicContact CZ-CD1 3.98Å; F357-H391 PolarHBondContact O-CE1 3.21Å
358	V	80.5	Confident	85.4	Confident	79 Å²	79	35.5 Å²	35.5	48%	0.479	19%	0.192	S	C	.	.			trans	-116.5	129	177.6	180	0	0	0	0	110.2	A356 D360	A356-V358 PolarHBondContact O-N 2.8Å; V358-D360 VanDerWaalsContact C-N 3.27Å; V358-D360 PolarHBondContact O-N 2.77Å
359	F	83.1	Confident	84.6	Confident	7 Å²	7	42.4 Å²	42.4	3%	0.031	22%	0.224	C	C	.	.			trans	-76.5	76.4	170	-72.5	-92	0	0	0	110.8	F357 L364 L367 I378 H391 K394 A395 Y402	F357-F359 HydrophobicContact CD1-CD2 4.12Å; F357-F359 AromaticContact CD1-CE2 3.92Å; F357-F359 HydrophobicContact CD1-CE2 3.92Å; F357-F359 HydrophobicContact CD1-CZ 4.39Å; F357-F359 HydrophobicContact CE1-CD1 4.14Å; F357-F359 AromaticContact CE1-CD2 3.77Å; F357-F359 HydrophobicContact CE1-CD2 3.77Å; F357-F359 AromaticContact CE1-CE1 3.93Å; F357-F359 HydrophobicContact CE1-CE1 3.93Å; F357-F359 AromaticContact CE1-CE2 3.53Å; F357-F359 HydrophobicContact CE1-CE2 3.53Å; F357-F359 HydrophobicContact CE1-CG 4.06Å; F357-F359 AromaticContact CE1-CZ 3.61Å; F357-F359 HydrophobicContact CE1-CZ 3.61Å; F359-L364 HydrophobicContact CB-CD1 4.42Å; F359-L364 HydrophobicContact CD1-CD2 4.45Å; F359-L367 HydrophobicContact CD1-CD1 4.33Å; F359-L367 HydrophobicContact CE1-CD1 4.01Å; F359-I378 HydrophobicContact CE1-CD1 4.04Å; F359-I378 HydrophobicContact CZ-CD1 3.68Å; F359-H391 HydrophobicContact CD2-CB 4.05Å; F359-H391 AromaticContact CD2-CD2 3.99Å; F359-H391 AromaticContact CD2-CG 3.94Å; F359-H391 HydrophobicContact CE2-CB 3.78Å; F359-H391 VanDerWaalsContact CE2-O 3.32Å; F359-H391 WeakPolarHBondContact CE2-O 3.47Å; F359-K394 HydrophobicContact CB-CB 4.14Å; F359-K394 HydrophobicContact CB-CD 3.49Å; F359-K394 VanDerWaalsContact CB-CD 3.49Å; F359-K394 HydrophobicContact CB-CG 4.42Å; F359-K394 HydrophobicContact CD1-CB 3.89Å; F359-K394 HydrophobicContact CD2-CB 4.11Å; F359-K394 HydrophobicContact CD2-CD 4.39Å; F359-K394 HydrophobicContact CE1-CB 4.28Å; F359-K394 HydrophobicContact CE2-CB 4.48Å; F359-K394 HydrophobicContact CG-CB 3.8Å; F359-K394 HydrophobicContact CG-CD 4.03Å; F359-A395 HydrophobicContact CE1-CB 4.19Å; F359-A395 HydrophobicContact CZ-CB 3.75Å; F359-Y402 HydrophobicContact CE2-CD2 4.11Å; F359-Y402 HydrophobicContact CE2-CE2 4.35Å; F359-Y402 HydrophobicContact CZ-CD2 4.36Å
360	D	86.8	Confident	83.3	Confident	72 Å²	72	45.8 Å²	45.8	39%	0.385	24%	0.24	S	C	.	.			trans	-85.6	176.9	167.9	74.9	28	0	0	0	112.2	V358 S362 V363 L364	V358-D360 VanDerWaalsContact C-N 3.27Å; V358-D360 PolarHBondContact O-N 2.77Å; D360-S362 VanDerWaalsContact C-N 3.3Å; D360-S362 PolarHBondContact O-N 2.85Å; D360-S362 WeakPolarHBondContact OD1-CA 3.33Å; D360-S362 WeakPolarHBondContact OD1-CB 3.4Å; D360-S362 PolarHBondContact OD1-N 3.29Å; D360-S362 PolarHBondContact OD1-OG 2.71Å; D360-S362 PolarHBondContact OD2-OG 3.48Å; D360-V363 PolarHBondContact OD1-N 3.45Å; D360-L364 VanDerWaalsContact O-CB 3.25Å; D360-L364 WeakPolarHBondContact O-CB 3.15Å; D360-L364 WeakPolarHBondContact O-CD1 3.26Å; D360-L364 WeakPolarHBondContact O-CG 3.22Å; D360-L364 PolarHBondContact O-N 3.31Å
361	E	86.6	Confident	81.8	Confident	177 Å²	177	49 Å²	49	83%	0.827	25%	0.254	S	S	*	.	H	α-helix	trans	-64.9	-29.9	179.8	-68.8	-160	132.7	0	0	113.7	S365	E361-S365 VanDerWaalsContact O-CB 3.32Å; E361-S365 WeakPolarHBondContact O-CB 3.11Å; E361-S365 PolarHBondContact O-N 3.04Å
362	S	87.3	Confident	80.2	Confident	47 Å²	47	54.4 Å²	54.4	33%	0.329	29%	0.292	S	S	.	.	H	α-helix	trans	-71.4	-45.9	180	76.7	0	0	0	0	111.2	P319 D360 S365 Q366	P319-S362 WeakPolarHBondContact CG-OG 3.34Å; D360-S362 VanDerWaalsContact C-N 3.3Å; D360-S362 PolarHBondContact O-N 2.85Å; D360-S362 WeakPolarHBondContact OD1-CA 3.33Å; D360-S362 WeakPolarHBondContact OD1-CB 3.4Å; D360-S362 PolarHBondContact OD1-N 3.29Å; D360-S362 PolarHBondContact OD1-OG 2.71Å; D360-S362 PolarHBondContact OD2-OG 3.48Å; S362-S365 WeakPolarHBondContact O-CB 3.13Å; S362-S365 PolarHBondContact O-N 2.91Å; S362-S365 PolarHBondContact O-OG 2.92Å; S362-Q366 PolarHBondContact O-N 3.38Å
363	V	87.4	Confident	79.3	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-47.5	171.8	173	0	0	0	0	110.6	F318 P319 L322 F357 D360 S365 Q366 L367	F318-V363 HydrophobicContact CB-CG2 3.98Å; P319-V363 HydrophobicContact CG-CG2 4.11Å; L322-V363 HydrophobicContact CD1-CG1 4.03Å; F357-V363 HydrophobicContact CE1-CG1 4.35Å; F357-V363 HydrophobicContact CE2-CG1 4.11Å; F357-V363 HydrophobicContact CZ-CG1 3.56Å; D360-V363 PolarHBondContact OD1-N 3.45Å; V363-S365 PolarHBondContact O-N 2.88Å; V363-Q366 PolarHBondContact O-N 3.25Å; V363-L367 HydrophobicContact CG1-CD1 4Å; V363-L367 HydrophobicContact CG1-CG 4.44Å; V363-L367 WeakPolarHBondContact O-CG 3.43Å; V363-L367 PolarHBondContact O-N 2.79Å; V363-L367 VanDerWaalsContact O-N 3.08Å
364	L	85.8	Confident	78.8	Confident	34 Å²	34	59.4 Å²	59.4	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-26.9	176.9	-83.3	160.4	0	0	0	113.2	F359 D360 K368 T398	F359-L364 HydrophobicContact CB-CD1 4.42Å; F359-L364 HydrophobicContact CD1-CD2 4.45Å; D360-L364 VanDerWaalsContact O-CB 3.25Å; D360-L364 WeakPolarHBondContact O-CB 3.15Å; D360-L364 WeakPolarHBondContact O-CD1 3.26Å; D360-L364 WeakPolarHBondContact O-CG 3.22Å; D360-L364 PolarHBondContact O-N 3.31Å; L364-K368 WeakPolarHBondContact O-CB 3.23Å; L364-K368 VanDerWaalsContact O-CD 3.32Å; L364-K368 WeakPolarHBondContact O-CD 3.26Å; L364-K368 WeakPolarHBondContact O-CG 3.49Å; L364-K368 PolarHBondContact O-N 2.99Å; L364-T398 HydrophobicContact CD2-CG2 3.86Å
365	S	86.1	Confident	78.6	Confident	50 Å²	50	60.6 Å²	60.6	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-68	-49.1	172.5	80.3	0	0	0	0	111.3	E361 S362 V363 K368 Q369	E361-S365 VanDerWaalsContact O-CB 3.32Å; E361-S365 WeakPolarHBondContact O-CB 3.11Å; E361-S365 PolarHBondContact O-N 3.04Å; S362-S365 WeakPolarHBondContact O-CB 3.13Å; S362-S365 PolarHBondContact O-N 2.91Å; S362-S365 PolarHBondContact O-OG 2.92Å; V363-S365 PolarHBondContact O-N 2.88Å; S365-K368 PolarHBondContact O-N 3.43Å; S365-Q369 VanDerWaalsContact O-CB 3.26Å; S365-Q369 WeakPolarHBondContact O-CB 3.48Å; S365-Q369 PolarHBondContact O-N 3.23Å
366	Q	84.7	Confident	79.2	Confident	31 Å²	31	58 Å²	58	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-48.6	-178.1	-65.3	-54	-55.2	0	0	110.9	L322 Y326 S362 V363 K368 Q369	L322-Q366 HydrophobicContact CB-CB 4.04Å; L322-Q366 HydrophobicContact CD1-CB 4.14Å; Y326-Q366 HydrophobicContact CE2-CB 4.32Å; Y326-Q366 WeakPolarHBondContact CE2-O 3.21Å; S362-Q366 PolarHBondContact O-N 3.38Å; V363-Q366 PolarHBondContact O-N 3.25Å; Q366-K368 PolarHBondContact O-N 2.86Å; Q366-Q369 PolarHBondContact O-N 2.53Å
367	L	82.2	Confident	80.1	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-32.9	178	-67.6	174.9	0	0	0	112.9	L322 F359 V363 T376	L322-L367 HydrophobicContact CD1-CD2 4.01Å; L322-L367 HydrophobicContact CD1-CG 4.1Å; L322-L367 HydrophobicContact CD2-CD2 4.21Å; F359-L367 HydrophobicContact CD1-CD1 4.33Å; F359-L367 HydrophobicContact CE1-CD1 4.01Å; V363-L367 HydrophobicContact CG1-CD1 4Å; V363-L367 HydrophobicContact CG1-CG 4.44Å; V363-L367 WeakPolarHBondContact O-CG 3.43Å; V363-L367 PolarHBondContact O-N 2.79Å; V363-L367 VanDerWaalsContact O-N 3.08Å; L367-T376 HydrophobicContact CD2-CG2 4.35Å
368	K	80.4	Confident	80.6	Confident	129 Å²	129	56.1 Å²	56.1	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-84.3	-32.1	178.6	-71.1	172.3	-172.3	171	0	113.4	L364 S365 Q366 T398	L364-K368 WeakPolarHBondContact O-CB 3.23Å; L364-K368 VanDerWaalsContact O-CD 3.32Å; L364-K368 WeakPolarHBondContact O-CD 3.26Å; L364-K368 WeakPolarHBondContact O-CG 3.49Å; L364-K368 PolarHBondContact O-N 2.99Å; S365-K368 PolarHBondContact O-N 3.43Å; Q366-K368 PolarHBondContact O-N 2.86Å; K368-T398 HydrophobicContact CG-CG2 4.1Å
369	Q	70.9	Confident	81	Confident	146 Å²	146	52.5 Å²	52.5	68%	0.682	28%	0.275	S	S	*	.	H	α-helix	trans	-77.2	-29.3	-165.5	-169.2	170.9	20.5	0	0	114.2	S365 Q366	S365-Q369 VanDerWaalsContact O-CB 3.26Å; S365-Q369 WeakPolarHBondContact O-CB 3.48Å; S365-Q369 PolarHBondContact O-N 3.23Å; Q366-Q369 PolarHBondContact O-N 2.53Å
370	Q	65.1	Low	81.3	Confident	72 Å²	72	52.3 Å²	52.3	34%	0.336	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	12.7	-175.5	-64.3	-115.9	21.5	0	0	113.7	Y326 S372	Y326-Q370 HydrophobicContact CD1-CB 4.04Å; Y326-Q370 HydrophobicContact CD2-CB 3.88Å; Y326-Q370 HydrophobicContact CD2-CG 3.89Å; Y326-Q370 HydrophobicContact CE1-CB 4.39Å; Y326-Q370 HydrophobicContact CE2-CB 4.24Å; Y326-Q370 HydrophobicContact CG-CB 3.78Å; Y326-Q370 HydrophobicContact CG-CG 3.97Å; Q370-S372 PolarHBondContact O-N 2.89Å
371	K	62.2	Low	81.3	Confident	67 Å²	67	48.9 Å²	48.9	29%	0.291	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-68	-20.7	-158	-171.8	177.4	160	-175.8	0	117	N373 I374 T398	K371-N373 PolarHBondContact O-N 2.88Å; K371-I374 PolarHBondContact O-N 2.86Å; K371-T398 WeakPolarHBondContact CE-O 3.5Å; K371-T398 VanDerWaalsContact NZ-C 3.25Å; K371-T398 PolarHBondContact NZ-O 3.47Å
372	S	60.2	Low	80.8	Confident	115 Å²	115	41.4 Å²	41.4	80%	0.804	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-62.3	-5	-157	60.3	0	0	0	0	118	Q370	Q370-S372 PolarHBondContact O-N 2.89Å
373	N	73.9	Confident	79.9	Confident	85 Å²	85	47 Å²	47	46%	0.455	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-149.6	6.7	172.1	-100.3	-49.5	0	0	0	116.1	K371 R426	K371-N373 PolarHBondContact O-N 2.88Å; N373-R426 PolarHBondContact O-NH2 3.25Å; N373-R426 PolarHBondContact OD1-NH1 3.09Å
374	I	81.7	Confident	78.7	Confident	20 Å²	20	51 Å²	51	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.9	-172.9	-55.4	173.1	0	0	0	109.8	Y326 F329 K347 L349 K371	Y326-I374 HydrophobicContact CD1-CD1 3.67Å; Y326-I374 HydrophobicContact CE1-CD1 4Å; Y326-I374 HydrophobicContact CE1-CG2 4.41Å; F329-I374 HydrophobicContact CB-CD1 3.95Å; F329-I374 HydrophobicContact CD2-CD1 3.85Å; F329-I374 HydrophobicContact CE2-CG2 4.24Å; F329-I374 HydrophobicContact CG-CD1 3.99Å; K347-I374 HydrophobicContact CB-CG1 3.99Å; K347-I374 HydrophobicContact CD-CG1 4.29Å; L349-I374 HydrophobicContact CB-CG2 4.06Å; K371-I374 PolarHBondContact O-N 2.86Å
375	T	82.4	Confident	77.4	Confident	38 Å²	38	51.7 Å²	51.7	23%	0.233	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.4	174.1	-56.2	0	0	0	0	109.8	K347 I348 L349 F377 Y401	K347-T375 PolarHBondContact O-N 3.36Å; I348-T375 WeakPolarHBondContact CA-O 3.42Å; L349-T375 PolarHBondContact N-O 3.42Å; T375-F377 HydrophobicContact CG2-CD2 4.28Å; T375-F377 HydrophobicContact CG2-CE2 3.73Å; T375-F377 HydrophobicContact CG2-CZ 4.36Å; T375-Y401 HydrophobicContact CG2-CD2 4Å; T375-Y401 HydrophobicContact CG2-CE2 3.73Å
376	T	87.2	Confident	76.4	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.5	176.6	-31	0	0	0	0	111.9	L349 L367 I378 D400 Y401	L349-T376 HydrophobicContact CB-CG2 4.12Å; L349-T376 HydrophobicContact CD2-CG2 4.07Å; L349-T376 HydrophobicContact CG-CG2 4.01Å; L349-T376 CarbonylContact O-C 3.6Å; L349-T376 VanDerWaalsContact O-CA 3.29Å; L349-T376 WeakPolarHBondContact O-CA 3.4Å; L367-T376 HydrophobicContact CD2-CG2 4.35Å; T376-I378 HydrophobicContact CG2-CG1 4.23Å; T376-D400 WeakPolarHBondContact CB-OD1 3.18Å; T376-D400 PolarHBondContact N-OD1 3.16Å; T376-D400 WeakPolarHBondContact O-CA 3.34Å; T376-D400 PolarHBondContact OG1-OD1 3.11Å; T376-Y401 PolarHBondContact O-N 3.41Å
377	F	89.3	Confident	75.8	Confident	1 Å²	1	54 Å²	54	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.7	167.5	-65.7	-105.2	0	0	0	108.9	I348 L349 V350 L351 T375 Y379 Y401 F418 K421	I348-F377 HydrophobicContact CG2-CD2 3.68Å; I348-F377 HydrophobicContact CG2-CE2 3.65Å; L349-F377 PolarHBondContact O-N 3.19Å; V350-F377 CarbonylContact C-O 3.54Å; V350-F377 WeakPolarHBondContact CA-O 3.48Å; V350-F377 HydrophobicContact CG2-CB 4.25Å; L351-F377 PolarHBondContact N-O 3.08Å; T375-F377 HydrophobicContact CG2-CD2 4.28Å; T375-F377 HydrophobicContact CG2-CE2 3.73Å; T375-F377 HydrophobicContact CG2-CZ 4.36Å; F377-Y379 HydrophobicContact CB-CD2 4.34Å; F377-Y379 HydrophobicContact CB-CE2 3.61Å; F377-Y379 HydrophobicContact CD1-CE2 4.4Å; F377-Y379 AromaticContact CD1-CZ 3.96Å; F377-Y379 WeakPolarHBondContact CD1-OH 3.32Å; F377-Y379 HydrophobicContact CG-CE2 4.35Å; F377-Y401 CarbonylContact C-O 3.51Å; F377-Y401 WeakPolarHBondContact CA-O 3.41Å; F377-Y401 AromaticContact CD1-CD2 3.85Å; F377-Y401 HydrophobicContact CD1-CD2 3.85Å; F377-Y401 HydrophobicContact CD1-CG 4.18Å; F377-Y401 HydrophobicContact CD2-CD2 4.44Å; F377-Y401 AromaticContact CE1-CD2 3.57Å; F377-Y401 HydrophobicContact CE1-CD2 3.57Å; F377-Y401 HydrophobicContact CE1-CE2 4.25Å; F377-Y401 HydrophobicContact CE1-CG 4.14Å; F377-Y401 HydrophobicContact CE2-CD2 4.18Å; F377-Y401 HydrophobicContact CG-CD2 4.29Å; F377-Y401 AromaticContact CZ-CD2 3.75Å; F377-Y401 HydrophobicContact CZ-CD2 3.75Å; F377-Y401 HydrophobicContact CZ-CE2 4.1Å; F377-F418 HydrophobicContact CE1-CD2 4.49Å; F377-F418 HydrophobicContact CE2-CD2 4.48Å; F377-F418 HydrophobicContact CZ-CD2 4.35Å; F377-K421 HydrophobicContact CE1-CB 3.66Å; F377-K421 HydrophobicContact CE1-CD 3.99Å; F377-K421 HydrophobicContact CE1-CG 4.48Å; F377-K421 HydrophobicContact CZ-CB 3.58Å
378	I	89.4	Confident	75.4	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.1	-179.2	-59.1	166.4	0	0	0	107.5	L351 F357 F359 T376 Y401 Y402 Q403	L351-I378 HydrophobicContact CB-CG1 4.46Å; L351-I378 HydrophobicContact CD2-CG1 4.48Å; L351-I378 HydrophobicContact CD2-CG2 4.42Å; F357-I378 HydrophobicContact CD1-CG2 4.17Å; F357-I378 HydrophobicContact CE1-CD1 4.01Å; F357-I378 HydrophobicContact CE1-CG2 4.23Å; F357-I378 HydrophobicContact CG-CG2 4.46Å; F357-I378 HydrophobicContact CZ-CD1 3.98Å; F359-I378 HydrophobicContact CE1-CD1 4.04Å; F359-I378 HydrophobicContact CZ-CD1 3.68Å; T376-I378 HydrophobicContact CG2-CG1 4.23Å; I378-Y401 PolarHBondContact N-O 3.5Å; I378-Y402 HydrophobicContact CB-CD2 4.02Å; I378-Y402 HydrophobicContact CG2-CD2 3.71Å; I378-Y402 HydrophobicContact CG2-CE2 3.99Å; I378-Y402 WeakPolarHBondContact O-CA 2.91Å; I378-Q403 PolarHBondContact O-N 2.96Å
379	Y	89	Confident	75.3	Confident	3 Å²	3	56.5 Å²	56.5	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.9	180	-64.9	-68.2	0	0	0	110	V350 L351 L352 T353 F377 Q403 L405 L414	V350-Y379 HydrophobicContact CG1-CD2 3.73Å; V350-Y379 HydrophobicContact CG1-CE2 3.87Å; L351-Y379 PolarHBondContact O-N 2.89Å; L352-Y379 HydrophobicContact CD2-CD2 4.37Å; L352-Y379 HydrophobicContact CD2-CG 4.47Å; T353-Y379 PolarHBondContact N-O 3.45Å; T353-Y379 VanDerWaalsContact N-O 3.12Å; T353-Y379 VanDerWaalsContact O-O 3.08Å; F377-Y379 HydrophobicContact CB-CD2 4.34Å; F377-Y379 HydrophobicContact CB-CE2 3.61Å; F377-Y379 HydrophobicContact CD1-CE2 4.4Å; F377-Y379 AromaticContact CD1-CZ 3.96Å; F377-Y379 WeakPolarHBondContact CD1-OH 3.32Å; F377-Y379 HydrophobicContact CG-CE2 4.35Å; Y379-Q403 WeakPolarHBondContact CA-O 3.44Å; Y379-Q403 HydrophobicContact CD1-CB 3.85Å; Y379-Q403 HydrophobicContact CE1-CB 3.83Å; Y379-Q403 HydrophobicContact CE1-CG 4.49Å; Y379-L405 HydrophobicContact CD1-CD1 4.14Å; Y379-L405 HydrophobicContact CD1-CG 4.47Å; Y379-L405 HydrophobicContact CG-CD1 4.32Å; Y379-L414 HydrophobicContact CD1-CD1 3.76Å; Y379-L414 HydrophobicContact CD2-CD1 3.85Å; Y379-L414 HydrophobicContact CE1-CD1 3.33Å; Y379-L414 HydrophobicContact CE2-CD1 3.41Å; Y379-L414 VanDerWaalsContact CE2-CD1 3.41Å; Y379-L414 HydrophobicContact CG-CD1 4.02Å; Y379-L414 WeakPolarHBondContact OH-CD1 3.44Å
380	S	87.9	Confident	75.8	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.4	174.9	173.6	0	0	0	0	110.2	T353 D354 N355 Y402 Q403 Y404 L405	T353-S380 CarbonylContact O-C 3.6Å; T353-S380 VanDerWaalsContact O-CA 3.32Å; T353-S380 WeakPolarHBondContact O-CA 3.43Å; D354-S380 WeakPolarHBondContact O-CB 3.35Å; D354-S380 PolarHBondContact O-OG 3.09Å; N355-S380 PolarHBondContact OD1-OG 3.48Å; S380-Y402 WeakPolarHBondContact CB-OH 3.24Å; S380-Q403 PolarHBondContact N-O 3.02Å; S380-Y404 CarbonylContact O-C 3.17Å; S380-Y404 WeakPolarHBondContact O-CA 3.27Å; S380-Y404 WeakPolarHBondContact O-CD2 3.39Å; S380-L405 PolarHBondContact O-N 2.75Å
381	L	87.2	Confident	76.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.9	-168.9	-55	176.7	0	0	0	111.4	M236 L243 A244 L352 T353 D354 L405	M236-L381 HydrophobicContact CE-CD1 4.02Å; L243-L381 HydrophobicContact CD2-CB 4.45Å; L243-L381 HydrophobicContact CD2-CD2 4.17Å; L243-L381 HydrophobicContact CG-CD2 4.29Å; A244-L381 HydrophobicContact CB-CD1 3.52Å; L352-L381 HydrophobicContact CB-CD1 4.32Å; L352-L381 HydrophobicContact CD2-CD1 4.17Å; L352-L381 HydrophobicContact CD2-CD2 4.22Å; T353-L381 WeakPolarHBondContact O-CB 3.49Å; T353-L381 VanDerWaalsContact O-CG 3.29Å; T353-L381 WeakPolarHBondContact O-CG 3.35Å; T353-L381 PolarHBondContact O-N 3.08Å; D354-L381 WeakPolarHBondContact CA-O 3.3Å; L381-L405 HydrophobicContact CD2-CB 3.85Å; L381-L405 HydrophobicContact CD2-CD1 3.81Å; L381-L405 HydrophobicContact CD2-CG 4.3Å
382	G	76.3	Confident	77.8	Confident	20 Å²	20	51.5 Å²	51.5	21%	0.206	30%	0.304	C	S	.	.	S	Bend	trans	104.8	-147.4	178.3	0	0	0	0	0	112.8	Y404	G382-Y404 WeakPolarHBondContact O-CE2 3.48Å; G382-Y404 VanDerWaalsContact O-CZ 3.23Å; G382-Y404 PolarHBondContact O-OH 2.89Å
383	E	68.1	Low	78.9	Confident	164 Å²	164	51 Å²	51	77%	0.766	29%	0.291	S	S	*	.	S	Bend	trans	-81.2	155.8	177.2	-73	-162.2	147.7	0	0	113	N355 V385 Y404	N355-E383 PolarHBondContact ND2-O 3.36Å; N355-E383 PolarHBondContact OD1-O 3.17Å; E383-V385 PolarHBondContact O-N 2.97Å; E383-Y404 VanDerWaalsContact C-OH 3.27Å; E383-Y404 WeakPolarHBondContact CA-OH 3.38Å
384	P	62.3	Low	79.4	Confident	87 Å²	87	50 Å²	50	57%	0.565	28%	0.282	S	S	*	.			trans	-82.7	115.6	-167.5	8.1	5.7	0	0	0	112.5	Y404	P384-Y404 HydrophobicContact CB-CD1 4.35Å; P384-Y404 HydrophobicContact CB-CE1 3.68Å; P384-Y404 HydrophobicContact CB-CE2 4.12Å; P384-Y404 WeakPolarHBondContact CD-OH 3.32Å; P384-Y404 HydrophobicContact CG-CE1 3.83Å; P384-Y404 WeakPolarHBondContact CG-OH 3.36Å; P384-Y404 VanDerWaalsContact N-OH 3.11Å
385	V	59	Low	79.5	Confident	49 Å²	49	49 Å²	49	30%	0.297	28%	0.277	S	S	.	.			trans	-68.5	139.4	167.2	-82.3	0	0	0	0	112.3	N355 E383 A387 A388	N355-V385 HydrophobicContact CB-CG1 3.76Å; N355-V385 HydrophobicContact CB-CG2 4.41Å; N355-V385 WeakPolarHBondContact OD1-CG2 3.41Å; E383-V385 PolarHBondContact O-N 2.97Å; V385-A387 PolarHBondContact O-N 2.85Å; V385-A388 VanDerWaalsContact O-CB 3.31Å; V385-A388 WeakPolarHBondContact O-CB 3.34Å; V385-A388 PolarHBondContact O-N 3.42Å
386	G	64.6	Low	79.5	Confident	91 Å²	91	48.5 Å²	48.5	94%	0.938	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.7	176.3	0	0	0	0	0	114.9	A388	G386-A388 VanDerWaalsContact C-N 3.35Å
387	A	71.5	Confident	79.1	Confident	38 Å²	38	52.4 Å²	52.4	31%	0.314	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6	175.3	0	0	0	0	0	114.4	V385 Y389 E390 H391	V385-A387 PolarHBondContact O-N 2.85Å; A387-Y389 PolarHBondContact O-N 2.8Å; A387-E390 WeakPolarHBondContact O-CA 3.5Å; A387-E390 WeakPolarHBondContact O-CB 3.36Å; A387-E390 PolarHBondContact O-N 3.49Å; A387-H391 PolarHBondContact O-N 3.18Å
388	A	73.8	Confident	78.5	Confident	25 Å²	25	52.4 Å²	52.4	21%	0.207	31%	0.307	C	S	.	.	H	α-helix	trans	-56.2	-30.7	-173	0	0	0	0	0	114.3	V385 G386 K392 Y402	V385-A388 VanDerWaalsContact O-CB 3.31Å; V385-A388 WeakPolarHBondContact O-CB 3.34Å; V385-A388 PolarHBondContact O-N 3.42Å; G386-A388 VanDerWaalsContact C-N 3.35Å; A388-K392 WeakPolarHBondContact O-CB 3.36Å; A388-K392 PolarHBondContact O-N 3.06Å; A388-Y402 HydrophobicContact CB-CE1 4.35Å
389	Y	79.4	Confident	77.8	Confident	159 Å²	159	54.7 Å²	54.7	62%	0.624	32%	0.319	S	S	*	.	H	α-helix	trans	-68.5	-42.2	172.9	179.2	-104.5	0	0	0	112.6	A387 K392 M393	A387-Y389 PolarHBondContact O-N 2.8Å; Y389-K392 WeakPolarHBondContact O-CB 3.03Å; Y389-K392 PolarHBondContact O-N 3.01Å; Y389-M393 HydrophobicContact CD1-CG 4.34Å; Y389-M393 HydrophobicContact CE1-CG 3.87Å; Y389-M393 HydrophobicContact CE2-CG 4.14Å; Y389-M393 HydrophobicContact CE2-SD 4.2Å; Y389-M393 VanDerWaalsContact O-CG 3.3Å; Y389-M393 WeakPolarHBondContact O-CG 3.37Å; Y389-M393 PolarHBondContact O-N 2.91Å
390	E	82.2	Confident	77.3	Confident	102 Å²	102	54.6 Å²	54.6	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-68.1	-42.4	178.7	-166	-169.8	136.3	0	0	111.1	A387 K392 M393 K394	A387-E390 WeakPolarHBondContact O-CA 3.5Å; A387-E390 WeakPolarHBondContact O-CB 3.36Å; A387-E390 PolarHBondContact O-N 3.49Å; E390-K392 VanDerWaalsContact C-N 3.3Å; E390-K392 PolarHBondContact O-N 3.01Å; E390-M393 PolarHBondContact O-N 2.93Å; E390-K394 WeakPolarHBondContact O-CG 3.35Å; E390-K394 PolarHBondContact O-N 3Å; E390-K394 WeakPolarHBondContact OE1-CE 3.45Å; E390-K394 IonicContact OE1-NZ 2.69Å; E390-K394 PolarHBondContact OE1-NZ 3.34Å
391	H	84.9	Confident	77.1	Confident	18 Å²	18	55.3 Å²	55.3	8%	0.083	32%	0.322	C	S	.	.	H	α-helix	trans	-58.2	-42.8	173.2	-74.3	-165.8	0	0	0	111.4	F357 F359 A387 K394 A395 Y402	F357-H391 PolarHBondContact O-CE1 3.21Å; F359-H391 HydrophobicContact CD2-CB 4.05Å; F359-H391 AromaticContact CD2-CD2 3.99Å; F359-H391 AromaticContact CD2-CG 3.94Å; F359-H391 HydrophobicContact CE2-CB 3.78Å; F359-H391 VanDerWaalsContact CE2-O 3.32Å; F359-H391 WeakPolarHBondContact CE2-O 3.47Å; A387-H391 PolarHBondContact O-N 3.18Å; H391-K394 PolarHBondContact O-N 3.28Å; H391-A395 PolarHBondContact O-N 3.06Å; H391-Y402 HydrophobicContact CB-CD1 4.32Å; H391-Y402 HydrophobicContact CB-CD2 4.14Å; H391-Y402 HydrophobicContact CB-CE1 3.91Å; H391-Y402 HydrophobicContact CB-CE2 3.69Å; H391-Y402 HydrophobicContact CB-CG 4.43Å
392	K	83	Confident	77	Confident	59 Å²	59	55.8 Å²	55.8	26%	0.257	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-51.7	172.4	-164.2	177.1	-165.8	-178.5	0	111.9	A388 Y389 E390 K394 A395 C396 Y402 S1435	A388-K392 WeakPolarHBondContact O-CB 3.36Å; A388-K392 PolarHBondContact O-N 3.06Å; Y389-K392 WeakPolarHBondContact O-CB 3.03Å; Y389-K392 PolarHBondContact O-N 3.01Å; E390-K392 VanDerWaalsContact C-N 3.3Å; E390-K392 PolarHBondContact O-N 3.01Å; K392-K394 VanDerWaalsContact C-N 3.25Å; K392-K394 PolarHBondContact O-N 2.98Å; K392-A395 PolarHBondContact O-N 3.38Å; K392-C396 PolarHBondContact O-N 3.21Å; K392-C396 PolarHBondContact O-SG 3.32Å; K392-Y402 HydrophobicContact CB-CD1 3.99Å; K392-S1435 VanDerWaalsContact NZ-CB 3.33Å; K392-S1435 PolarHBondContact NZ-OG 3.11Å
393	M	83.7	Confident	77.3	Confident	106 Å²	106	57 Å²	57	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-33.9	179.7	-65.6	-68.6	-78.3	0	0	112.7	Y389 E390 A397	Y389-M393 HydrophobicContact CD1-CG 4.34Å; Y389-M393 HydrophobicContact CE1-CG 3.87Å; Y389-M393 HydrophobicContact CE2-CG 4.14Å; Y389-M393 HydrophobicContact CE2-SD 4.2Å; Y389-M393 VanDerWaalsContact O-CG 3.3Å; Y389-M393 WeakPolarHBondContact O-CG 3.37Å; Y389-M393 PolarHBondContact O-N 2.91Å; E390-M393 PolarHBondContact O-N 2.93Å; M393-A397 PolarHBondContact O-N 3.02Å; M393-A397 VanDerWaalsContact O-N 3.14Å
394	K	85.4	Confident	78	Confident	63 Å²	63	51.8 Å²	51.8	27%	0.274	30%	0.297	S	S	.	.	H	α-helix	trans	-70.2	-44.2	175.9	-72.7	177	176.6	170.7	0	113	F359 E390 H391 K392 C396 A397 T398	F359-K394 HydrophobicContact CB-CB 4.14Å; F359-K394 HydrophobicContact CB-CD 3.49Å; F359-K394 VanDerWaalsContact CB-CD 3.49Å; F359-K394 HydrophobicContact CB-CG 4.42Å; F359-K394 HydrophobicContact CD1-CB 3.89Å; F359-K394 HydrophobicContact CD2-CB 4.11Å; F359-K394 HydrophobicContact CD2-CD 4.39Å; F359-K394 HydrophobicContact CE1-CB 4.28Å; F359-K394 HydrophobicContact CE2-CB 4.48Å; F359-K394 HydrophobicContact CG-CB 3.8Å; F359-K394 HydrophobicContact CG-CD 4.03Å; E390-K394 WeakPolarHBondContact O-CG 3.35Å; E390-K394 PolarHBondContact O-N 3Å; E390-K394 WeakPolarHBondContact OE1-CE 3.45Å; E390-K394 IonicContact OE1-NZ 2.69Å; E390-K394 PolarHBondContact OE1-NZ 3.34Å; H391-K394 PolarHBondContact O-N 3.28Å; K392-K394 VanDerWaalsContact C-N 3.25Å; K392-K394 PolarHBondContact O-N 2.98Å; K394-C396 VanDerWaalsContact C-N 3.34Å; K394-C396 PolarHBondContact O-N 3.12Å; K394-A397 WeakPolarHBondContact O-CB 3.37Å; K394-A397 PolarHBondContact O-N 3.44Å; K394-T398 PolarHBondContact O-N 3.28Å
395	A	83.2	Confident	78.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-43.6	173.3	0	0	0	0	0	112	F359 H391 K392 A397 T398 N399 D400	F359-A395 HydrophobicContact CE1-CB 4.19Å; F359-A395 HydrophobicContact CZ-CB 3.75Å; H391-A395 PolarHBondContact O-N 3.06Å; K392-A395 PolarHBondContact O-N 3.38Å; A395-A397 VanDerWaalsContact C-N 3.26Å; A395-A397 PolarHBondContact O-N 2.92Å; A395-T398 CarbonylContact O-C 3.52Å; A395-T398 WeakPolarHBondContact O-CA 3.14Å; A395-T398 PolarHBondContact O-N 3.36Å; A395-T398 PolarHBondContact O-OG1 2.91Å; A395-N399 PolarHBondContact O-N 2.65Å; A395-D400 CarbonylContact C-O 3.35Å; A395-D400 HydrophobicContact CB-CB 4.24Å; A395-D400 WeakPolarHBondContact CB-O 3.35Å; A395-D400 PolarHBondContact O-N 2.94Å; A395-D400 VanDerWaalsContact O-O 3.14Å
396	C	81.3	Confident	79.8	Confident	26 Å²	26	48.4 Å²	48.4	18%	0.176	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-31.7	179.1	-56.7	0	0	0	0	112.3	K392 K394 T398 N399 C1434	K392-C396 PolarHBondContact O-N 3.21Å; K392-C396 PolarHBondContact O-SG 3.32Å; K394-C396 VanDerWaalsContact C-N 3.34Å; K394-C396 PolarHBondContact O-N 3.12Å; C396-T398 PolarHBondContact O-N 3.28Å; C396-N399 PolarHBondContact O-N 3.27Å; C396-N399 VanDerWaalsContact O-N 3.15Å; C396-C1434 HydrophobicContact CB-CB 3.87Å; C396-C1434 WeakPolarHBondContact CB-SG 3.43Å; C396-C1434 WeakPolarHBondContact SG-CB 3.03Å; C396-C1434 CovalentContact SG-SG 2.01Å; C396-C1434 PolarHBondContact SG-SG 3.43Å
397	A	79.9	Confident	80.5	Confident	84 Å²	84	48 Å²	48	69%	0.694	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.2	170.8	0	0	0	0	0	113.5	M393 K394 A395	M393-A397 PolarHBondContact O-N 3.02Å; M393-A397 VanDerWaalsContact O-N 3.14Å; K394-A397 WeakPolarHBondContact O-CB 3.37Å; K394-A397 PolarHBondContact O-N 3.44Å; A395-A397 VanDerWaalsContact C-N 3.26Å; A395-A397 PolarHBondContact O-N 2.92Å
398	T	76.4	Confident	80.7	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	12.7	169.7	54.4	0	0	0	0	113.7	L364 K368 K371 K394 A395 C396 D400	L364-T398 HydrophobicContact CD2-CG2 3.86Å; K368-T398 HydrophobicContact CG-CG2 4.1Å; K371-T398 WeakPolarHBondContact CE-O 3.5Å; K371-T398 VanDerWaalsContact NZ-C 3.25Å; K371-T398 PolarHBondContact NZ-O 3.47Å; K394-T398 PolarHBondContact O-N 3.28Å; A395-T398 CarbonylContact O-C 3.52Å; A395-T398 WeakPolarHBondContact O-CA 3.14Å; A395-T398 PolarHBondContact O-N 3.36Å; A395-T398 PolarHBondContact O-OG1 2.91Å; C396-T398 PolarHBondContact O-N 3.28Å; T398-D400 WeakPolarHBondContact CB-OD2 3.34Å; T398-D400 PolarHBondContact O-N 3.19Å; T398-D400 PolarHBondContact OG1-OD2 3.28Å
399	N	74.2	Confident	80.5	Confident	49 Å²	49	52.1 Å²	52.1	26%	0.262	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	13.3	-170	-64.6	-1.1	0	0	0	114.5	A395 C396 P1432	A395-N399 PolarHBondContact O-N 2.65Å; C396-N399 PolarHBondContact O-N 3.27Å; C396-N399 VanDerWaalsContact O-N 3.15Å; N399-P1432 HydrophobicContact CB-CG 4.17Å
400	D	79.7	Confident	80.4	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.011	26%	0.261	C	S	.	.			trans	-89.6	153	177.7	-58.8	-53.9	0	0	0	110.1	T376 A395 T398	T376-D400 WeakPolarHBondContact CB-OD1 3.18Å; T376-D400 PolarHBondContact N-OD1 3.16Å; T376-D400 WeakPolarHBondContact O-CA 3.34Å; T376-D400 PolarHBondContact OG1-OD1 3.11Å; A395-D400 CarbonylContact C-O 3.35Å; A395-D400 HydrophobicContact CB-CB 4.24Å; A395-D400 WeakPolarHBondContact CB-O 3.35Å; A395-D400 PolarHBondContact O-N 2.94Å; A395-D400 VanDerWaalsContact O-O 3.14Å; T398-D400 WeakPolarHBondContact CB-OD2 3.34Å; T398-D400 PolarHBondContact O-N 3.19Å; T398-D400 PolarHBondContact OG1-OD2 3.28Å
401	Y	83.3	Confident	79.9	Confident	18 Å²	18	40.7 Å²	40.7	7%	0.071	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.9	178.4	-60.2	-67.8	0	0	0	110.5	T375 T376 F377 I378 K421 P1432	T375-Y401 HydrophobicContact CG2-CD2 4Å; T375-Y401 HydrophobicContact CG2-CE2 3.73Å; T376-Y401 PolarHBondContact O-N 3.41Å; F377-Y401 CarbonylContact C-O 3.51Å; F377-Y401 WeakPolarHBondContact CA-O 3.41Å; F377-Y401 AromaticContact CD1-CD2 3.85Å; F377-Y401 HydrophobicContact CD1-CD2 3.85Å; F377-Y401 HydrophobicContact CD1-CG 4.18Å; F377-Y401 HydrophobicContact CD2-CD2 4.44Å; F377-Y401 AromaticContact CE1-CD2 3.57Å; F377-Y401 HydrophobicContact CE1-CD2 3.57Å; F377-Y401 HydrophobicContact CE1-CE2 4.25Å; F377-Y401 HydrophobicContact CE1-CG 4.14Å; F377-Y401 HydrophobicContact CE2-CD2 4.18Å; F377-Y401 HydrophobicContact CG-CD2 4.29Å; F377-Y401 AromaticContact CZ-CD2 3.75Å; F377-Y401 HydrophobicContact CZ-CD2 3.75Å; F377-Y401 HydrophobicContact CZ-CE2 4.1Å; I378-Y401 PolarHBondContact N-O 3.5Å; Y401-K421 HydrophobicContact CD1-CD 3.63Å; Y401-K421 HydrophobicContact CD1-CG 4.39Å; Y401-K421 HydrophobicContact CD2-CB 4.19Å; Y401-K421 HydrophobicContact CD2-CD 4.01Å; Y401-K421 HydrophobicContact CD2-CG 4.44Å; Y401-K421 HydrophobicContact CE1-CD 3.66Å; Y401-K421 HydrophobicContact CE1-CG 3.93Å; Y401-K421 HydrophobicContact CE2-CB 3.7Å; Y401-K421 HydrophobicContact CE2-CD 4.05Å; Y401-K421 HydrophobicContact CE2-CG 4Å; Y401-K421 HydrophobicContact CG-CD 3.79Å; Y401-P1432 HydrophobicContact CE1-CB 4.01Å; Y401-P1432 HydrophobicContact CE1-CG 4.41Å; Y401-P1432 WeakPolarHBondContact OH-CB 3.28Å
402	Y	85.7	Confident	79.1	Confident	10 Å²	10	42.1 Å²	42.1	4%	0.039	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.4	172	-178.1	-86.3	0	0	0	110.4	F359 I378 S380 A388 H391 K392	F359-Y402 HydrophobicContact CE2-CD2 4.11Å; F359-Y402 HydrophobicContact CE2-CE2 4.35Å; F359-Y402 HydrophobicContact CZ-CD2 4.36Å; I378-Y402 HydrophobicContact CB-CD2 4.02Å; I378-Y402 HydrophobicContact CG2-CD2 3.71Å; I378-Y402 HydrophobicContact CG2-CE2 3.99Å; I378-Y402 WeakPolarHBondContact O-CA 2.91Å; S380-Y402 WeakPolarHBondContact CB-OH 3.24Å; A388-Y402 HydrophobicContact CB-CE1 4.35Å; H391-Y402 HydrophobicContact CB-CD1 4.32Å; H391-Y402 HydrophobicContact CB-CD2 4.14Å; H391-Y402 HydrophobicContact CB-CE1 3.91Å; H391-Y402 HydrophobicContact CB-CE2 3.69Å; H391-Y402 HydrophobicContact CB-CG 4.43Å; K392-Y402 HydrophobicContact CB-CD1 3.99Å
403	Q	82.1	Confident	78.3	Confident	44 Å²	44	43.7 Å²	43.7	21%	0.206	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	161	179.5	-164.4	146.7	-19.6	0	0	110.8	I378 Y379 S380 D417	I378-Q403 PolarHBondContact O-N 2.96Å; Y379-Q403 WeakPolarHBondContact CA-O 3.44Å; Y379-Q403 HydrophobicContact CD1-CB 3.85Å; Y379-Q403 HydrophobicContact CE1-CB 3.83Å; Y379-Q403 HydrophobicContact CE1-CG 4.49Å; S380-Q403 PolarHBondContact N-O 3.02Å; Q403-D417 PolarHBondContact NE2-OD2 2.74Å; Q403-D417 VanDerWaalsContact OE1-CG 3.23Å; Q403-D417 PolarHBondContact OE1-OD1 2.99Å; Q403-D417 PolarHBondContact OE1-OD2 3.14Å
404	Y	82.1	Confident	78.1	Confident	56 Å²	56	38.6 Å²	38.6	22%	0.22	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.9	-171.3	162	-102.6	0	0	0	109.4	S380 G382 E383 P384 P406	S380-Y404 CarbonylContact O-C 3.17Å; S380-Y404 WeakPolarHBondContact O-CA 3.27Å; S380-Y404 WeakPolarHBondContact O-CD2 3.39Å; G382-Y404 WeakPolarHBondContact O-CE2 3.48Å; G382-Y404 VanDerWaalsContact O-CZ 3.23Å; G382-Y404 PolarHBondContact O-OH 2.89Å; E383-Y404 VanDerWaalsContact C-OH 3.27Å; E383-Y404 WeakPolarHBondContact CA-OH 3.38Å; P384-Y404 HydrophobicContact CB-CD1 4.35Å; P384-Y404 HydrophobicContact CB-CE1 3.68Å; P384-Y404 HydrophobicContact CB-CE2 4.12Å; P384-Y404 WeakPolarHBondContact CD-OH 3.32Å; P384-Y404 HydrophobicContact CG-CE1 3.83Å; P384-Y404 WeakPolarHBondContact CG-OH 3.36Å; P384-Y404 VanDerWaalsContact N-OH 3.11Å; Y404-P406 HydrophobicContact CE1-CB 3.87Å; Y404-P406 HydrophobicContact CE1-CG 4.18Å; Y404-P406 WeakPolarHBondContact OH-CA 3.28Å; Y404-P406 WeakPolarHBondContact OH-CB 3.11Å
405	L	81.5	Confident	77.4	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	99.6	-172.7	-58.9	173.9	0	0	0	110.1	L243 Y379 S380 L381 A410 L414	L243-L405 WeakPolarHBondContact CD2-O 3.48Å; Y379-L405 HydrophobicContact CD1-CD1 4.14Å; Y379-L405 HydrophobicContact CD1-CG 4.47Å; Y379-L405 HydrophobicContact CG-CD1 4.32Å; S380-L405 PolarHBondContact O-N 2.75Å; L381-L405 HydrophobicContact CD2-CB 3.85Å; L381-L405 HydrophobicContact CD2-CD1 3.81Å; L381-L405 HydrophobicContact CD2-CG 4.3Å; L405-A410 HydrophobicContact CD2-CB 4.07Å; L405-L414 HydrophobicContact CD1-CB 4.27Å; L405-L414 HydrophobicContact CD1-CD1 4.27Å; L405-L414 HydrophobicContact CD1-CD2 4.26Å; L405-L414 HydrophobicContact CD1-CG 4.5Å; L405-L414 HydrophobicContact CD2-CB 4.14Å
406	P	78.4	Confident	76.8	Confident	62 Å²	62	40.8 Å²	40.8	40%	0.403	25%	0.249	S	C	.	.			trans	-73.7	-33.2	-175.4	26.6	-35.2	0	0	0	114.2	Y404 A410	Y404-P406 HydrophobicContact CE1-CB 3.87Å; Y404-P406 HydrophobicContact CE1-CG 4.18Å; Y404-P406 WeakPolarHBondContact OH-CA 3.28Å; Y404-P406 WeakPolarHBondContact OH-CB 3.11Å; P406-A410 HydrophobicContact CG-CB 4.22Å
407	T	79.8	Confident	76.4	Confident	83 Å²	83	41.2 Å²	41.2	51%	0.509	25%	0.249	S	C	.	.	S	Bend	trans	-150.8	167.4	-169.4	65.5	0	0	0	0	111.5	G409 A410	T407-G409 PolarHBondContact O-N 2.91Å; T407-G409 PolarHBondContact OG1-N 2.82Å; T407-A410 WeakPolarHBondContact O-CB 3.47Å; T407-A410 PolarHBondContact O-N 2.83Å
408	V	74.2	Confident	76.3	Confident	92 Å²	92	37.5 Å²	37.5	56%	0.558	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-52.8	-37.3	172.7	172.5	0	0	0	0	112.5	L243 L246 A410 V411	L243-V408 HydrophobicContact CD1-CG2 4.11Å; L246-V408 HydrophobicContact CD2-CB 4.42Å; L246-V408 HydrophobicContact CD2-CG1 3.64Å; L246-V408 HydrophobicContact CD2-CG2 4.1Å; V408-A410 PolarHBondContact O-N 2.86Å; V408-V411 VanDerWaalsContact O-CB 3.31Å; V408-V411 WeakPolarHBondContact O-CB 3.21Å; V408-V411 VanDerWaalsContact O-CG2 3.28Å; V408-V411 WeakPolarHBondContact O-CG2 3.4Å; V408-V411 PolarHBondContact O-N 3.19Å; V408-V411 VanDerWaalsContact O-N 3.09Å
409	G	70.7	Confident	76.1	Confident	58 Å²	58	38.8 Å²	38.8	60%	0.598	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-65.9	-17.4	177.4	0	0	0	0	0	114.5	T407 V411	T407-G409 PolarHBondContact O-N 2.91Å; T407-G409 PolarHBondContact OG1-N 2.82Å; G409-V411 VanDerWaalsContact C-N 3.3Å
410	A	76.2	Confident	75.9	Confident	11 Å²	11	40.9 Å²	40.9	9%	0.091	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-79.4	-11.5	174.5	0	0	0	0	0	113.3	L405 P406 T407 V408 S412 N413 L414	L405-A410 HydrophobicContact CD2-CB 4.07Å; P406-A410 HydrophobicContact CG-CB 4.22Å; T407-A410 WeakPolarHBondContact O-CB 3.47Å; T407-A410 PolarHBondContact O-N 2.83Å; V408-A410 PolarHBondContact O-N 2.86Å; A410-S412 VanDerWaalsContact C-N 3.25Å; A410-S412 PolarHBondContact O-N 3.08Å; A410-N413 WeakPolarHBondContact O-CB 3.25Å; A410-N413 PolarHBondContact O-N 3.42Å; A410-L414 PolarHBondContact O-N 2.85Å; A410-L414 VanDerWaalsContact O-N 3.15Å
411	V	72.4	Confident	75.5	Confident	10 Å²	10	42.4 Å²	42.4	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-68.3	-22.9	-178.1	-177.6	0	0	0	0	112.1	L243 K250 V408 G409 L414 M415	L243-V411 HydrophobicContact CD1-CG2 3.8Å; K250-V411 HydrophobicContact CB-CG1 3.9Å; K250-V411 HydrophobicContact CG-CG1 3.81Å; V408-V411 VanDerWaalsContact O-CB 3.31Å; V408-V411 WeakPolarHBondContact O-CB 3.21Å; V408-V411 VanDerWaalsContact O-CG2 3.28Å; V408-V411 WeakPolarHBondContact O-CG2 3.4Å; V408-V411 PolarHBondContact O-N 3.19Å; V408-V411 VanDerWaalsContact O-N 3.09Å; G409-V411 VanDerWaalsContact C-N 3.3Å; V411-L414 HydrophobicContact CG1-CD2 4.08Å; V411-L414 WeakPolarHBondContact O-CB 3.5Å; V411-L414 PolarHBondContact O-N 3.4Å; V411-M415 PolarHBondContact O-N 2.73Å
412	S	67.4	Low	74.9	Confident	48 Å²	48	41.7 Å²	41.7	34%	0.336	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-34.9	167.9	-61.7	0	0	0	0	112.9	E152 A410 M415 K416	E152-S412 WeakPolarHBondContact OE2-CB 3.16Å; E152-S412 PolarHBondContact OE2-OG 2.91Å; A410-S412 VanDerWaalsContact C-N 3.25Å; A410-S412 PolarHBondContact O-N 3.08Å; S412-M415 PolarHBondContact O-N 2.78Å; S412-K416 PolarHBondContact O-N 2.94Å
413	N	67.6	Low	73.7	Confident	91 Å²	91	41.9 Å²	41.9	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-73.1	-35	175.5	-65.7	-39.3	0	0	0	111.6	A410 M415 K416 D417	A410-N413 WeakPolarHBondContact O-CB 3.25Å; A410-N413 PolarHBondContact O-N 3.42Å; N413-M415 VanDerWaalsContact C-N 3.25Å; N413-M415 PolarHBondContact O-N 2.91Å; N413-K416 PolarHBondContact O-N 2.92Å; N413-D417 PolarHBondContact O-N 2.91Å
414	L	78.5	Confident	72.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-51.4	-45	169	166.6	71.5	0	0	0	111.2	L251 Y379 L405 A410 V411 F418	L251-L414 HydrophobicContact CD1-CD2 4.4Å; L251-L414 HydrophobicContact CD2-CD1 4.35Å; L251-L414 HydrophobicContact CD2-CG 4.42Å; L251-L414 HydrophobicContact CG-CD2 4.2Å; Y379-L414 HydrophobicContact CD1-CD1 3.76Å; Y379-L414 HydrophobicContact CD2-CD1 3.85Å; Y379-L414 HydrophobicContact CE1-CD1 3.33Å; Y379-L414 HydrophobicContact CE2-CD1 3.41Å; Y379-L414 VanDerWaalsContact CE2-CD1 3.41Å; Y379-L414 HydrophobicContact CG-CD1 4.02Å; Y379-L414 WeakPolarHBondContact OH-CD1 3.44Å; L405-L414 HydrophobicContact CD1-CB 4.27Å; L405-L414 HydrophobicContact CD1-CD1 4.27Å; L405-L414 HydrophobicContact CD1-CD2 4.26Å; L405-L414 HydrophobicContact CD1-CG 4.5Å; L405-L414 HydrophobicContact CD2-CB 4.14Å; A410-L414 PolarHBondContact O-N 2.85Å; A410-L414 VanDerWaalsContact O-N 3.15Å; V411-L414 HydrophobicContact CG1-CD2 4.08Å; V411-L414 WeakPolarHBondContact O-CB 3.5Å; V411-L414 PolarHBondContact O-N 3.4Å; L414-F418 WeakPolarHBondContact O-CB 3.38Å; L414-F418 PolarHBondContact O-N 3.31Å
415	M	71.7	Confident	71.1	Confident	24 Å²	24	42.8 Å²	42.8	12%	0.118	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-45	177.1	-64.8	-61.2	93	0	0	112.8	K250 L251 A254 V411 S412 N413 F418 H419	K250-M415 HydrophobicContact CB-CE 4.11Å; K250-M415 HydrophobicContact CB-SD 4.19Å; K250-M415 VanDerWaalsContact O-SD 3.33Å; L251-M415 HydrophobicContact CB-CE 4.37Å; L251-M415 HydrophobicContact CD2-CE 3.57Å; L251-M415 HydrophobicContact CG-CE 3.74Å; A254-M415 HydrophobicContact CB-SD 3.98Å; V411-M415 PolarHBondContact O-N 2.73Å; S412-M415 PolarHBondContact O-N 2.78Å; N413-M415 VanDerWaalsContact C-N 3.25Å; N413-M415 PolarHBondContact O-N 2.91Å; M415-F418 PolarHBondContact O-N 2.98Å; M415-H419 WeakPolarHBondContact O-CB 3.43Å; M415-H419 PolarHBondContact O-N 3.29Å
416	K	70.5	Confident	69.6	Low	85 Å²	85	44.1 Å²	44.1	37%	0.37	25%	0.25	S	C	.	.	H	α-helix	trans	-58.3	-51.9	178	-175.8	-177.4	176.7	179.4	0	111.2	S412 N413 H419 E420	S412-K416 PolarHBondContact O-N 2.94Å; N413-K416 PolarHBondContact O-N 2.92Å; K416-H419 PolarHBondContact O-N 2.98Å; K416-E420 WeakPolarHBondContact O-CB 3.29Å; K416-E420 PolarHBondContact O-N 3.18Å
417	D	71.4	Confident	68.3	Low	34 Å²	34	44.3 Å²	44.3	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-39.5	-179.5	-84.8	-75.8	0	0	0	112.5	Q403 N413 K421	Q403-D417 PolarHBondContact NE2-OD2 2.74Å; Q403-D417 VanDerWaalsContact OE1-CG 3.23Å; Q403-D417 PolarHBondContact OE1-OD1 2.99Å; Q403-D417 PolarHBondContact OE1-OD2 3.14Å; N413-D417 PolarHBondContact O-N 2.91Å; D417-K421 WeakPolarHBondContact O-CB 3.33Å; D417-K421 WeakPolarHBondContact O-CD 3.48Å; D417-K421 WeakPolarHBondContact O-CG 3.42Å; D417-K421 PolarHBondContact O-N 3.4Å; D417-K421 IonicContact OD1-NZ 3.23Å; D417-K421 PolarHBondContact OD1-NZ 3.3Å
418	F	79.2	Confident	66.8	Low	6 Å²	6	40.7 Å²	40.7	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-46.6	175.2	178.9	-101.5	0	0	0	111.4	L226 L251 I348 V350 F377 L414 M415 K421 S422	L226-F418 HydrophobicContact CD1-CE2 4.15Å; L226-F418 HydrophobicContact CD1-CZ 4.18Å; L251-F418 HydrophobicContact CD2-CB 3.91Å; L251-F418 HydrophobicContact CD2-CD1 3.75Å; L251-F418 HydrophobicContact CD2-CD2 3.53Å; L251-F418 HydrophobicContact CD2-CE1 4.11Å; L251-F418 HydrophobicContact CD2-CE2 3.89Å; L251-F418 HydrophobicContact CD2-CG 3.44Å; L251-F418 VanDerWaalsContact CD2-CG 3.44Å; L251-F418 HydrophobicContact CD2-CZ 4.17Å; I348-F418 HydrophobicContact CD1-CZ 4.43Å; I348-F418 HydrophobicContact CG2-CE2 4.05Å; V350-F418 HydrophobicContact CG2-CE2 4.16Å; F377-F418 HydrophobicContact CE1-CD2 4.49Å; F377-F418 HydrophobicContact CE2-CD2 4.48Å; F377-F418 HydrophobicContact CZ-CD2 4.35Å; L414-F418 WeakPolarHBondContact O-CB 3.38Å; L414-F418 PolarHBondContact O-N 3.31Å; M415-F418 PolarHBondContact O-N 2.98Å; F418-K421 PolarHBondContact O-N 3.48Å; F418-S422 WeakPolarHBondContact O-CB 3.48Å; F418-S422 PolarHBondContact O-N 2.9Å; F418-S422 PolarHBondContact O-OG 3.27Å
419	H	71.5	Confident	65.2	Low	30 Å²	30	39.7 Å²	39.7	14%	0.139	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-57.5	178.8	-153.8	85.5	0	0	0	110.4	F216 I217 S220 M415 K416 K421 S422 T423	F216-H419 AromaticContact CD1-NE2 3.37Å; F216-H419 WeakPolarHBondContact CD1-NE2 3.41Å; F216-H419 AromaticContact CE1-NE2 3.05Å; F216-H419 WeakPolarHBondContact CE1-NE2 3.48Å; I217-H419 VanDerWaalsContact CA-CE1 3.49Å; I217-H419 WeakPolarHBondContact CA-CE1 3.32Å; I217-H419 WeakPolarHBondContact CG1-CE1 3.36Å; S220-H419 VanDerWaalsContact CB-NE2 3.33Å; S220-H419 WeakPolarHBondContact CB-NE2 3.49Å; S220-H419 PolarHBondContact OG-NE2 3.16Å; M415-H419 WeakPolarHBondContact O-CB 3.43Å; M415-H419 PolarHBondContact O-N 3.29Å; K416-H419 PolarHBondContact O-N 2.98Å; H419-K421 PolarHBondContact O-N 3.15Å; H419-S422 PolarHBondContact O-N 2.89Å; H419-S422 PolarHBondContact O-OG 2.83Å; H419-T423 WeakPolarHBondContact O-CB 3.17Å; H419-T423 WeakPolarHBondContact O-CG2 3.27Å; H419-T423 PolarHBondContact O-N 2.97Å; H419-T423 PolarHBondContact O-OG1 3.14Å
420	E	70.4	Confident	64	Low	93 Å²	93	44.6 Å²	44.6	44%	0.435	23%	0.232	S	C	.	.	H	α-helix	trans	-53.6	-28.6	-176.5	-169.3	-178.7	141.6	0	0	114	K416	K416-E420 WeakPolarHBondContact O-CB 3.29Å; K416-E420 PolarHBondContact O-N 3.18Å
421	K	71.7	Confident	62.8	Low	33 Å²	33	47.4 Å²	47.4	14%	0.143	25%	0.254	C	S	.	.	H	α-helix	trans	-103.4	-24.9	-176.7	-67.5	161.4	-177.8	154.8	0	114.2	F377 Y401 D417 F418 H419	F377-K421 HydrophobicContact CE1-CB 3.66Å; F377-K421 HydrophobicContact CE1-CD 3.99Å; F377-K421 HydrophobicContact CE1-CG 4.48Å; F377-K421 HydrophobicContact CZ-CB 3.58Å; Y401-K421 HydrophobicContact CD1-CD 3.63Å; Y401-K421 HydrophobicContact CD1-CG 4.39Å; Y401-K421 HydrophobicContact CD2-CB 4.19Å; Y401-K421 HydrophobicContact CD2-CD 4.01Å; Y401-K421 HydrophobicContact CD2-CG 4.44Å; Y401-K421 HydrophobicContact CE1-CD 3.66Å; Y401-K421 HydrophobicContact CE1-CG 3.93Å; Y401-K421 HydrophobicContact CE2-CB 3.7Å; Y401-K421 HydrophobicContact CE2-CD 4.05Å; Y401-K421 HydrophobicContact CE2-CG 4Å; Y401-K421 HydrophobicContact CG-CD 3.79Å; D417-K421 WeakPolarHBondContact O-CB 3.33Å; D417-K421 WeakPolarHBondContact O-CD 3.48Å; D417-K421 WeakPolarHBondContact O-CG 3.42Å; D417-K421 PolarHBondContact O-N 3.4Å; D417-K421 IonicContact OD1-NZ 3.23Å; D417-K421 PolarHBondContact OD1-NZ 3.3Å; F418-K421 PolarHBondContact O-N 3.48Å; H419-K421 PolarHBondContact O-N 3.15Å
422	S	70.9	Confident	61.6	Low	3 Å²	3	49.5 Å²	49.5	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-84.8	-27.5	175.8	64.4	0	0	0	0	113	N346 F418 H419 Q424	N346-S422 PolarHBondContact ND2-O 2.84Å; F418-S422 WeakPolarHBondContact O-CB 3.48Å; F418-S422 PolarHBondContact O-N 2.9Å; F418-S422 PolarHBondContact O-OG 3.27Å; H419-S422 PolarHBondContact O-N 2.89Å; H419-S422 PolarHBondContact O-OG 2.83Å; S422-Q424 VanDerWaalsContact C-N 3.31Å; S422-Q424 PolarHBondContact O-N 2.9Å
423	T	60	Low	60.7	Low	15 Å²	15	49.4 Å²	49.4	9%	0.092	27%	0.268	C	S	.	.			trans	-88.9	15.1	-179.9	66.7	0	0	0	0	114.1	H419 I425	H419-T423 WeakPolarHBondContact O-CB 3.17Å; H419-T423 WeakPolarHBondContact O-CG2 3.27Å; H419-T423 PolarHBondContact O-N 2.97Å; H419-T423 PolarHBondContact O-OG1 3.14Å; T423-I425 VanDerWaalsContact C-N 3.33Å; T423-I425 PolarHBondContact O-N 3.45Å
424	Q	56.5	Low	59.9	Low	91 Å²	91	46.1 Å²	46.1	43%	0.425	25%	0.25	S	S	.	.			trans	-62.4	95.3	172.1	-71.2	-172.1	11.4	0	0	110.4	S422 R426	S422-Q424 VanDerWaalsContact C-N 3.31Å; S422-Q424 PolarHBondContact O-N 2.9Å; Q424-R426 PolarHBondContact O-N 2.68Å
425	I	53.1	Low	58.5	Low	27 Å²	27	50.1 Å²	50.1	14%	0.138	28%	0.276	C	S	.	.			trans	-59.6	105.3	171.9	-61.8	174.2	0	0	0	106.5	T423 F427 L434 Y466	T423-I425 VanDerWaalsContact C-N 3.33Å; T423-I425 PolarHBondContact O-N 3.45Å; I425-F427 PolarHBondContact O-N 2.78Å; I425-L434 HydrophobicContact CG2-CD1 3.85Å; I425-L434 HydrophobicContact CG2-CG 4.42Å; I425-Y466 HydrophobicContact CD1-CE1 4.33Å; I425-Y466 WeakPolarHBondContact CD1-OH 3.48Å
426	R	50.5	Low	57.6	Low	31 Å²	31	50.7 Å²	50.7	12%	0.117	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-65.6	133.4	178.9	-58.8	-170.7	-163.7	-175.9	0.9	108.5	N346 N373 Q424 L1423 F1424	N346-R426 PolarHBondContact OD1-NE 2.64Å; N373-R426 PolarHBondContact O-NH2 3.25Å; N373-R426 PolarHBondContact OD1-NH1 3.09Å; Q424-R426 PolarHBondContact O-N 2.68Å; R426-L1423 HydrophobicContact CB-CD2 3.87Å; R426-L1423 HydrophobicContact CG-CD2 3.87Å; R426-F1424 WeakPolarHBondContact CB-O 3.18Å; R426-F1424 VanDerWaalsContact CD-O 3.29Å; R426-F1424 WeakPolarHBondContact CD-O 3.37Å
427	F	49.5	Very low	57	Low	66 Å²	66	50.5 Å²	50.5	29%	0.289	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-60.2	161.4	-172.3	-58	-89.7	0	0	0	112.7	I425 A431 L472 F1424	I425-F427 PolarHBondContact O-N 2.78Å; F427-A431 HydrophobicContact CD1-CB 4.34Å; F427-A431 WeakPolarHBondContact CD1-O 3.15Å; F427-A431 HydrophobicContact CG-CB 4.46Å; F427-L472 HydrophobicContact CD1-CD2 4.12Å; F427-L472 HydrophobicContact CE1-CB 3.89Å; F427-L472 HydrophobicContact CE1-CD2 3.72Å; F427-L472 HydrophobicContact CE1-CG 4.46Å; F427-F1424 VanDerWaalsContact O-CB 3.29Å; F427-F1424 WeakPolarHBondContact O-CB 3.45Å; F427-F1424 VanDerWaalsContact O-CD2 3.26Å; F427-F1424 WeakPolarHBondContact O-CD2 3.31Å
428	G	48.1	Very low	56.6	Low	7 Å²	7	49.3 Å²	49.3	7%	0.072	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-64	171.9	155.5	0	0	0	0	0	111.7	A431 S432	G428-A431 PolarHBondContact O-N 2.94Å; G428-S432 PolarHBondContact N-O 3.2Å
429	P	40.8	Very low	56.2	Low	71 Å²	71	50.1 Å²	50.1	46%	0.461	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-58.7	146.2	173.4	27.7	-32.9	0	0	0	109.6	A431 S432 F1424	P429-A431 VanDerWaalsContact C-N 3.33Å; P429-A431 PolarHBondContact O-N 3.02Å; P429-S432 PolarHBondContact O-OG 3.46Å; P429-F1424 HydrophobicContact CB-CD1 4.35Å; P429-F1424 HydrophobicContact CB-CE1 4.48Å; P429-F1424 HydrophobicContact CG-CD1 4.39Å; P429-F1424 HydrophobicContact CG-CE1 4.09Å; P429-F1424 HydrophobicContact CG-CZ 4.34Å
430	N	47.2	Very low	56.1	Low	161 Å²	161	49.4 Å²	49.4	86%	0.861	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	63.6	28.2	-173.4	-45.5	-45.4	0	0	0	115.1	S432	N430-S432 PolarHBondContact O-N 3.4Å
431	A	49.7	Very low	56	Low	69 Å²	69	45.5 Å²	45.5	57%	0.57	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	61.4	18.8	-178.7	0	0	0	0	0	114.8	F427 G428 P429	F427-A431 HydrophobicContact CD1-CB 4.34Å; F427-A431 WeakPolarHBondContact CD1-O 3.15Å; F427-A431 HydrophobicContact CG-CB 4.46Å; G428-A431 PolarHBondContact O-N 2.94Å; P429-A431 VanDerWaalsContact C-N 3.33Å; P429-A431 PolarHBondContact O-N 3.02Å
432	S	46.7	Very low	55.5	Low	54 Å²	54	44.6 Å²	44.6	38%	0.378	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-61.3	136.7	174.5	-49	0	0	0	0	109.8	G428 P429 N430 L434	G428-S432 PolarHBondContact N-O 3.2Å; P429-S432 PolarHBondContact O-OG 3.46Å; N430-S432 PolarHBondContact O-N 3.4Å; S432-L434 PolarHBondContact O-N 3.43Å
433	P	49.5	Very low	54.9	Low	47 Å²	47	44.8 Å²	44.8	31%	0.305	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-58.6	139.3	165.5	25.5	-32	0	0	0	109	L472	P433-L472 HydrophobicContact CB-CD1 4.19Å; P433-L472 HydrophobicContact CB-CD2 3.9Å
434	L	50.4	Low	54.8	Low	21 Å²	21	44.6 Å²	44.6	11%	0.11	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-58.5	150.3	169.1	-70	-179.7	0	0	0	109.3	I425 S432 T436 F1424	I425-L434 HydrophobicContact CG2-CD1 3.85Å; I425-L434 HydrophobicContact CG2-CG 4.42Å; S432-L434 PolarHBondContact O-N 3.43Å; L434-T436 PolarHBondContact O-N 2.92Å; L434-F1424 HydrophobicContact CD2-CE2 4.35Å
435	P	49.5	Very low	55.2	Low	84 Å²	84	43 Å²	43	55%	0.545	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-53.2	140	178.1	22.3	-33.6	0	0	0	110.7	E437	P435-E437 HydrophobicContact CB-CG 3.99Å; P435-E437 HydrophobicContact CG-CG 3.97Å; P435-E437 WeakPolarHBondContact CG-OE1 3.34Å; P435-E437 PolarHBondContact O-N 3Å
436	T	51.7	Low	55.7	Low	37 Å²	37	41.7 Å²	41.7	23%	0.227	25%	0.248	C	C	.	.			trans	-72.5	71	173.5	35.3	0	0	0	0	109.6	K91 L434 I463	K91-T436 WeakPolarHBondContact CE-O 3.31Å; K91-T436 PolarHBondContact NZ-O 2.79Å; K91-T436 VanDerWaalsContact NZ-O 3.17Å; L434-T436 PolarHBondContact O-N 2.92Å; T436-I463 HydrophobicContact CG2-CG2 3.79Å
437	E	58.8	Low	56.6	Low	80 Å²	80	40.2 Å²	40.2	37%	0.374	24%	0.242	S	C	.	.			trans	-75.3	134.1	176.1	-63.6	-166.7	-170.9	0	0	109.7	P435 I439 K1420	P435-E437 HydrophobicContact CB-CG 3.99Å; P435-E437 HydrophobicContact CG-CG 3.97Å; P435-E437 WeakPolarHBondContact CG-OE1 3.34Å; P435-E437 PolarHBondContact O-N 3Å; E437-I439 PolarHBondContact O-N 2.73Å; E437-K1420 HydrophobicContact CB-CD 4.29Å; E437-K1420 WeakPolarHBondContact OE2-CB 3.48Å; E437-K1420 WeakPolarHBondContact OE2-CG 3.45Å
438	V	63.3	Low	57.4	Low	10 Å²	10	38 Å²	38	6%	0.061	23%	0.233	C	C	.	.			trans	-69.9	130.6	179.2	166.9	0	0	0	0	109.2	E87 L440 I461 I463 K1420	E87-V438 HydrophobicContact CB-CG2 3.88Å; E87-V438 HydrophobicContact CG-CG2 3.54Å; V438-L440 HydrophobicContact CG1-CD1 3.81Å; V438-L440 HydrophobicContact CG1-CG 4.09Å; V438-I461 HydrophobicContact CG1-CG2 3.53Å; V438-I463 HydrophobicContact CG2-CD1 3.74Å; V438-I463 HydrophobicContact CG2-CG1 3.78Å; V438-K1420 PolarHBondContact O-NZ 2.92Å
439	I	70.4	Confident	58.2	Low	22 Å²	22	38.3 Å²	38.3	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130	172.9	-53.1	167.8	0	0	0	106.8	E437 H441 S462 W1421	E437-I439 PolarHBondContact O-N 2.73Å; I439-H441 WeakPolarHBondContact CG2-CE1 3.28Å; I439-S462 PolarHBondContact N-O 2.67Å; I439-S462 PolarHBondContact O-N 3.14Å; I439-W1421 HydrophobicContact CD1-CH2 3.78Å; I439-W1421 HydrophobicContact CD1-CZ2 3.82Å
440	L	70.3	Confident	58.9	Low	16 Å²	16	38 Å²	38	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.7	-179.2	-66.2	99.3	0	0	0	108.8	I83 V438 V459 S460 I461 T587 F589	I83-L440 HydrophobicContact CD1-CD2 4.23Å; I83-L440 HydrophobicContact CG2-CD2 3.94Å; V438-L440 HydrophobicContact CG1-CD1 3.81Å; V438-L440 HydrophobicContact CG1-CG 4.09Å; L440-V459 HydrophobicContact CB-CG1 4.26Å; L440-V459 HydrophobicContact CD2-CG1 4Å; L440-S460 CarbonylContact C-O 3.37Å; L440-S460 WeakPolarHBondContact CA-O 3.49Å; L440-I461 HydrophobicContact CD2-CG1 4.21Å; L440-I461 HydrophobicContact CG-CG1 4.47Å; L440-T587 HydrophobicContact CD1-CG2 4.4Å; L440-T587 HydrophobicContact CD2-CG2 3.84Å; L440-F589 HydrophobicContact CB-CE1 4.26Å; L440-F589 HydrophobicContact CB-CE2 4.01Å; L440-F589 HydrophobicContact CB-CZ 3.54Å; L440-F589 HydrophobicContact CD2-CE2 4.43Å; L440-F589 WeakPolarHBondContact O-CZ 3.36Å
441	H	68.5	Low	59.3	Low	10 Å²	10	33.4 Å²	33.4	5%	0.046	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	101.4	177.2	-42.7	-77.9	0	0	0	108	W215 Q218 I439 V459 S460 S462	W215-H441 HydrophobicContact CB-CB 3.96Å; W215-H441 VanDerWaalsContact CB-CD2 3.48Å; W215-H441 WeakPolarHBondContact CB-CD2 3.25Å; W215-H441 PolarHBondContact O-CE1 2.96Å; W215-H441 PolarHBondContact O-NE2 3.17Å; Q218-H441 PolarHBondContact OE1-CE1 3.11Å; Q218-H441 PolarHBondContact OE1-ND1 3.36Å; I439-H441 WeakPolarHBondContact CG2-CE1 3.28Å; H441-V459 WeakPolarHBondContact O-CA 3.45Å; H441-S460 PolarHBondContact N-O 2.98Å; H441-S460 PolarHBondContact O-N 3.33Å; H441-S462 PolarHBondContact NE2-OG 3.14Å
442	G	60.9	Low	59.7	Low	15 Å²	15	30.8 Å²	30.8	16%	0.155	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	152	173.7	0	0	0	0	0	111.9	S444	G442-S444 VanDerWaalsContact C-N 3.27Å; G442-S444 PolarHBondContact O-N 3.24Å
443	A	57.1	Low	59.6	Low	7 Å²	7	31.9 Å²	31.9	6%	0.058	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.1	38.8	-179.2	0	0	0	0	0	113.8	L457 M458 S527	A443-L457 HydrophobicContact CB-CD1 4.37Å; A443-L457 HydrophobicContact CB-CD2 4.16Å; A443-M458 PolarHBondContact N-O 2.98Å; A443-S527 WeakPolarHBondContact O-CB 3.16Å; A443-S527 PolarHBondContact O-OG 3.34Å
444	S	58	Low	59.3	Low	10 Å²	10	30.7 Å²	30.7	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142.9	176.7	-167.4	0	0	0	0	111.4	W215 G442 V446 M458	W215-S444 VanDerWaalsContact CD1-OG 3.22Å; G442-S444 VanDerWaalsContact C-N 3.27Å; G442-S444 PolarHBondContact O-N 3.24Å; S444-V446 WeakPolarHBondContact OG-CG2 3.26Å; S444-M458 PolarHBondContact N-O 2.82Å; S444-M458 PolarHBondContact O-N 2.96Å
445	D	65.5	Low	59.1	Low	58 Å²	58	32.3 Å²	32.3	31%	0.31	18%	0.182	S	C	.	.			trans	-113.9	109.6	157.7	-176.2	4.3	0	0	0	109	L447 H448	D445-L447 PolarHBondContact OD1-N 2.77Å; D445-H448 PolarHBondContact O-CD2 3.17Å; D445-H448 PolarHBondContact O-NE2 3.29Å; D445-H448 IonicContact OD1-CD2 2.71Å; D445-H448 PolarHBondContact OD1-N 3.01Å; D445-H448 WeakPolarHBondContact OD2-CA 3.19Å; D445-H448 IonicContact OD2-CD2 2.73Å; D445-H448 IonicContact OD2-CG 3.9Å; D445-H448 PolarHBondContact OD2-N 2.85Å
446	V	63.1	Low	59.2	Low	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-100.6	-16	173.9	-173.4	0	0	0	0	111.3	Y184 W215 S444 E481	Y184-V446 HydrophobicContact CD1-CG1 3.94Å; Y184-V446 HydrophobicContact CD2-CG1 4.28Å; Y184-V446 HydrophobicContact CE1-CG1 3.95Å; Y184-V446 HydrophobicContact CE1-CG2 4.46Å; Y184-V446 HydrophobicContact CE2-CG1 4.3Å; Y184-V446 HydrophobicContact CG-CG1 4.11Å; W215-V446 HydrophobicContact CD2-CG2 4.29Å; W215-V446 HydrophobicContact CG-CG2 4.34Å; W215-V446 HydrophobicContact CH2-CG1 4.34Å; W215-V446 HydrophobicContact CZ2-CG1 3.91Å; W215-V446 HydrophobicContact CZ2-CG2 4.44Å; S444-V446 WeakPolarHBondContact OG-CG2 3.26Å; V446-E481 HydrophobicContact CB-CG 4.48Å; V446-E481 WeakPolarHBondContact CG2-OE1 3.33Å
447	L	69.8	Low	59.8	Low	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-105.1	-16	-165.5	-57.2	179.9	0	0	0	113.4	F182 V194 F198 D445 T449 Y452 M458	F182-L447 HydrophobicContact CB-CD1 4.09Å; F182-L447 HydrophobicContact CB-CD2 4.07Å; F182-L447 HydrophobicContact CD1-CD1 4.3Å; F182-L447 HydrophobicContact CD1-CD2 4.1Å; F182-L447 HydrophobicContact CD2-CD1 3.42Å; F182-L447 VanDerWaalsContact CD2-CD1 3.42Å; F182-L447 HydrophobicContact CE2-CD1 3.88Å; F182-L447 HydrophobicContact CG-CD1 3.67Å; F182-L447 HydrophobicContact CG-CD2 4Å; V194-L447 HydrophobicContact CG1-CD2 3.96Å; F198-L447 HydrophobicContact CE1-CD2 3.98Å; F198-L447 WeakPolarHBondContact CE2-O 3.45Å; F198-L447 HydrophobicContact CZ-CB 4.12Å; F198-L447 HydrophobicContact CZ-CD2 4.08Å; F198-L447 VanDerWaalsContact CZ-O 3.3Å; F198-L447 WeakPolarHBondContact CZ-O 3.45Å; D445-L447 PolarHBondContact OD1-N 2.77Å; L447-T449 VanDerWaalsContact C-N 3.26Å; L447-T449 PolarHBondContact O-N 2.88Å; L447-Y452 HydrophobicContact CD1-CD2 4.19Å; L447-Y452 HydrophobicContact CD1-CE2 3.74Å; L447-M458 HydrophobicContact CD1-CE 3.86Å; L447-M458 HydrophobicContact CD1-SD 3.89Å
448	H	66.9	Low	60.5	Low	19 Å²	19	25.4 Å²	25.4	9%	0.088	14%	0.144	C	C	.	.			trans	38.9	51.9	165.7	-87.3	-102.7	0	0	0	112.9	W200 R201 F208 R213 D445 L524 D525	W200-H448 HydrophobicContact CH2-CB 3.81Å; W200-H448 HydrophobicContact CZ2-CB 3.61Å; W200-H448 HydrophobicContact CZ3-CB 4.44Å; R201-H448 WeakPolarHBondContact CB-O 3.49Å; R201-H448 PolarHBondContact N-O 3.44Å; F208-H448 HydrophobicContact CD2-CB 4.34Å; F208-H448 AromaticContact CD2-CD2 3.72Å; F208-H448 AromaticContact CD2-CG 3.68Å; F208-H448 AromaticContact CD2-ND1 3.84Å; F208-H448 HydrophobicContact CE2-CB 4.45Å; F208-H448 AromaticContact CE2-CD2 3.43Å; F208-H448 VanDerWaalsContact CE2-CD2 3.43Å; F208-H448 WeakPolarHBondContact CE2-CD2 3.46Å; F208-H448 AromaticContact CE2-CG 3.82Å; R213-H448 PolarHBondContact NE-NE2 3.37Å; R213-H448 PolarHBondContact NH2-CE1 3.12Å; D445-H448 PolarHBondContact O-CD2 3.17Å; D445-H448 PolarHBondContact O-NE2 3.29Å; D445-H448 IonicContact OD1-CD2 2.71Å; D445-H448 PolarHBondContact OD1-N 3.01Å; D445-H448 WeakPolarHBondContact OD2-CA 3.19Å; D445-H448 IonicContact OD2-CD2 2.73Å; D445-H448 IonicContact OD2-CG 3.9Å; D445-H448 PolarHBondContact OD2-N 2.85Å; H448-L524 PolarHBondContact CE1-O 3.26Å; H448-D525 PolarHBondContact CE1-O 2.77Å
449	T	63.3	Low	61.4	Low	13 Å²	13	25 Å²	25	8%	0.08	14%	0.142	C	C	.	.			trans	-123.1	138.7	-175.2	-176.3	0	0	0	0	112.3	F138 F198 P199 L447 Q451 Y452	F138-T449 HydrophobicContact CD2-CG2 4.48Å; F138-T449 HydrophobicContact CE2-CG2 3.9Å; F138-T449 HydrophobicContact CZ-CG2 4.18Å; F198-T449 HydrophobicContact CE2-CG2 4.45Å; P199-T449 PolarHBondContact O-OG1 2.96Å; P199-T449 VanDerWaalsContact O-OG1 3.1Å; L447-T449 VanDerWaalsContact C-N 3.26Å; L447-T449 PolarHBondContact O-N 2.88Å; T449-Q451 PolarHBondContact O-N 3.44Å; T449-Y452 HydrophobicContact CG2-CD2 3.77Å; T449-Y452 HydrophobicContact CG2-CG 4.39Å; T449-Y452 PolarHBondContact O-N 2.97Å
450	N	56.2	Low	62	Low	66 Å²	66	23.9 Å²	23.9	35%	0.353	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10	178.6	-80.9	-29.4	0	0	0	113.7	K453	N450-K453 WeakPolarHBondContact O-CD 3.2Å; N450-K453 VanDerWaalsContact O-CG 3.32Å; N450-K453 WeakPolarHBondContact O-CG 3.49Å; N450-K453 WeakPolarHBondContact OD1-CE 3.28Å
451	Q	56	Low	62.9	Low	64 Å²	64	23.1 Å²	23.1	30%	0.299	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-15.3	-177.5	-56.1	-167.1	-101.2	0	0	114.2	F138 T449	F138-Q451 HydrophobicContact CB-CB 3.71Å; F138-Q451 HydrophobicContact CB-CG 4.26Å; F138-Q451 HydrophobicContact CD2-CB 4.23Å; F138-Q451 HydrophobicContact CG-CB 4.13Å; T449-Q451 PolarHBondContact O-N 3.44Å
452	Y	57.3	Low	63.8	Low	13 Å²	13	22.7 Å²	22.7	5%	0.051	13%	0.13	C	C	.	.	S	Bend	trans	-89.2	2.3	175.9	-101.4	-57.4	0	0	0	114.3	H137 F138 F182 L447 T449 G454 T455 G456 M458	H137-Y452 HydrophobicContact CB-CE1 4.44Å; H137-Y452 AromaticContact CD2-CE1 3.6Å; H137-Y452 AromaticContact CD2-CZ 4Å; F138-Y452 HydrophobicContact CD1-CD2 4.45Å; F138-Y452 HydrophobicContact CD1-CE2 4.03Å; F138-Y452 AromaticContact CE1-CD2 3.8Å; F138-Y452 HydrophobicContact CE1-CD2 3.8Å; F138-Y452 AromaticContact CE1-CE2 3.18Å; F138-Y452 HydrophobicContact CE1-CE2 3.18Å; F138-Y452 AromaticContact CE1-CZ 3.76Å; F138-Y452 HydrophobicContact CZ-CD2 4Å; F138-Y452 AromaticContact CZ-CE2 3.64Å; F138-Y452 HydrophobicContact CZ-CE2 3.64Å; F182-Y452 HydrophobicContact CE2-CE2 4.04Å; L447-Y452 HydrophobicContact CD1-CD2 4.19Å; L447-Y452 HydrophobicContact CD1-CE2 3.74Å; T449-Y452 HydrophobicContact CG2-CD2 3.77Å; T449-Y452 HydrophobicContact CG2-CG 4.39Å; T449-Y452 PolarHBondContact O-N 2.97Å; Y452-G454 PolarHBondContact O-N 2.81Å; Y452-T455 PolarHBondContact O-N 2.89Å; Y452-T455 VanDerWaalsContact O-N 3.16Å; Y452-G456 WeakPolarHBondContact O-CA 3.38Å; Y452-G456 PolarHBondContact O-N 3.5Å; Y452-M458 HydrophobicContact CD1-CE 3.93Å; Y452-M458 HydrophobicContact CD2-CE 3.9Å; Y452-M458 HydrophobicContact CE1-CE 3.52Å; Y452-M458 HydrophobicContact CE2-CE 3.46Å; Y452-M458 VanDerWaalsContact CE2-CE 3.46Å; Y452-M458 HydrophobicContact CG-CE 4.14Å
453	K	44.7	Very low	65	Low	77 Å²	77	22 Å²	22	34%	0.335	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-5.8	-170.7	-72.8	-176	-178.4	-170.6	0	117.8	N450 P522	N450-K453 WeakPolarHBondContact O-CD 3.2Å; N450-K453 VanDerWaalsContact O-CG 3.32Å; N450-K453 WeakPolarHBondContact O-CG 3.49Å; N450-K453 WeakPolarHBondContact OD1-CE 3.28Å; K453-P522 HydrophobicContact CD-CG 3.71Å; K453-P522 VanDerWaalsContact CE-CG 3.42Å; K453-P522 HydrophobicContact CG-CG 4.08Å
454	G	43.5	Very low	66.4	Low	22 Å²	22	22.1 Å²	22.1	23%	0.227	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-18.8	179.2	0	0	0	0	0	115.5	Y452 P519 L871	Y452-G454 PolarHBondContact O-N 2.81Å; G454-P519 VanDerWaalsContact O-CG 3.29Å; G454-P519 WeakPolarHBondContact O-CG 3.36Å; G454-L871 WeakPolarHBondContact O-CD1 3.5Å
455	T	45.6	Very low	67.7	Low	55 Å²	55	21.7 Å²	21.7	34%	0.337	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.1	6.8	-175.7	54.8	0	0	0	0	113.8	Y452 L457	Y452-T455 PolarHBondContact O-N 2.89Å; Y452-T455 VanDerWaalsContact O-N 3.16Å; T455-L457 PolarHBondContact O-N 3.2Å
456	G	52.4	Low	68.6	Low	14 Å²	14	19.4 Å²	19.4	14%	0.144	11%	0.107	C	C	.	.			trans	-65.6	10.1	-158.5	0	0	0	0	0	119.3	Y452	Y452-G456 WeakPolarHBondContact O-CA 3.38Å; Y452-G456 PolarHBondContact O-N 3.5Å
457	L	63.6	Low	69.6	Low	39 Å²	39	20.7 Å²	20.7	20%	0.204	11%	0.114	C	C	.	.			trans	-75.7	128.1	169	-63.6	-178.5	0	0	0	109.7	A443 T455 I484 P519	A443-L457 HydrophobicContact CB-CD1 4.37Å; A443-L457 HydrophobicContact CB-CD2 4.16Å; T455-L457 PolarHBondContact O-N 3.2Å; L457-I484 HydrophobicContact CB-CD1 3.68Å; L457-I484 WeakPolarHBondContact O-CB 3.39Å; L457-I484 WeakPolarHBondContact O-CD1 3.5Å; L457-I484 WeakPolarHBondContact O-CG1 3.37Å; L457-I484 PolarHBondContact O-N 2.93Å; L457-P519 HydrophobicContact CG-CB 4.46Å
458	M	74.7	Confident	69.9	Low	4 Å²	4	26.5 Å²	26.5	2%	0.02	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	161.9	-178.9	-57.8	-166.3	175.1	0	0	112.1	A443 S444 L447 Y452 E481	A443-M458 PolarHBondContact N-O 2.98Å; S444-M458 PolarHBondContact N-O 2.82Å; S444-M458 PolarHBondContact O-N 2.96Å; L447-M458 HydrophobicContact CD1-CE 3.86Å; L447-M458 HydrophobicContact CD1-SD 3.89Å; Y452-M458 HydrophobicContact CD1-CE 3.93Å; Y452-M458 HydrophobicContact CD2-CE 3.9Å; Y452-M458 HydrophobicContact CE1-CE 3.52Å; Y452-M458 HydrophobicContact CE2-CE 3.46Å; Y452-M458 VanDerWaalsContact CE2-CE 3.46Å; Y452-M458 HydrophobicContact CG-CE 4.14Å; M458-E481 HydrophobicContact CB-CB 4.28Å; M458-E481 HydrophobicContact CB-CG 4.5Å; M458-E481 VanDerWaalsContact CB-OE2 3.25Å; M458-E481 WeakPolarHBondContact CB-OE2 3.37Å; M458-E481 HydrophobicContact SD-CB 3.51Å; M458-E481 VanDerWaalsContact SD-CB 3.51Å; M458-E481 HydrophobicContact SD-CG 3.78Å
459	V	81.4	Confident	70.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	101.9	166.3	-177.7	0	0	0	0	108	L440 H441 L482 I484 M487 V512 F589	L440-V459 HydrophobicContact CB-CG1 4.26Å; L440-V459 HydrophobicContact CD2-CG1 4Å; H441-V459 WeakPolarHBondContact O-CA 3.45Å; V459-L482 HydrophobicContact CB-CB 4.19Å; V459-L482 HydrophobicContact CB-CG 4.49Å; V459-L482 PolarHBondContact N-O 3.21Å; V459-L482 PolarHBondContact O-N 2.84Å; V459-I484 HydrophobicContact CG2-CG1 4.23Å; V459-M487 HydrophobicContact CG2-SD 3.68Å; V459-V512 HydrophobicContact CG2-CG1 3.48Å; V459-V512 VanDerWaalsContact CG2-CG1 3.48Å; V459-F589 HydrophobicContact CG1-CE2 4.08Å
460	S	84.1	Confident	70.4	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.6	178.9	-165.7	0	0	0	0	110.1	Y184 L440 H441 E481	Y184-S460 PolarHBondContact OH-OG 2.95Å; L440-S460 CarbonylContact C-O 3.37Å; L440-S460 WeakPolarHBondContact CA-O 3.49Å; H441-S460 PolarHBondContact N-O 2.98Å; H441-S460 PolarHBondContact O-N 3.33Å; S460-E481 WeakPolarHBondContact CA-OE1 3.16Å; S460-E481 WeakPolarHBondContact CA-OE2 3.28Å; S460-E481 WeakPolarHBondContact CB-OE1 3.48Å; S460-E481 VanDerWaalsContact CB-OE2 3.28Å; S460-E481 WeakPolarHBondContact CB-OE2 3.21Å; S460-E481 PolarHBondContact N-OE2 2.81Å; S460-E481 PolarHBondContact OG-OE1 3.16Å
461	I	88	Confident	70.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107.6	-179	-61.6	178.6	0	0	0	106.9	I83 M86 L90 V438 L440 G479 T480 L482	I83-I461 HydrophobicContact CG2-CD1 4.39Å; M86-I461 HydrophobicContact CB-CD1 4.1Å; M86-I461 HydrophobicContact CE-CD1 4.17Å; M86-I461 HydrophobicContact SD-CD1 4.01Å; L90-I461 HydrophobicContact CD2-CG2 4.06Å; L90-I461 VanDerWaalsContact CD2-O 3.29Å; L90-I461 WeakPolarHBondContact CD2-O 3.42Å; V438-I461 HydrophobicContact CG1-CG2 3.53Å; L440-I461 HydrophobicContact CD2-CG1 4.21Å; L440-I461 HydrophobicContact CG-CG1 4.47Å; I461-G479 CarbonylContact O-C 3.46Å; I461-G479 WeakPolarHBondContact O-CA 3.43Å; I461-T480 HydrophobicContact CB-CG2 3.8Å; I461-T480 HydrophobicContact CD1-CG2 4.45Å; I461-T480 HydrophobicContact CG2-CG2 4.14Å; I461-T480 PolarHBondContact N-O 3.36Å; I461-T480 PolarHBondContact O-N 3.42Å; I461-L482 HydrophobicContact CD1-CB 4.28Å
462	S	87.2	Confident	71.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	151	-171.5	79.1	0	0	0	0	114	I439 H441 M478	I439-S462 PolarHBondContact N-O 2.67Å; I439-S462 PolarHBondContact O-N 3.14Å; H441-S462 PolarHBondContact NE2-OG 3.14Å; S462-M478 CarbonylContact C-O 3.54Å; S462-M478 WeakPolarHBondContact CA-O 3.43Å
463	I	86.8	Confident	72.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.2	176.9	-61.9	-179.5	0	0	0	110.2	L90 K91 V94 T436 V438 M478	L90-I463 HydrophobicContact CB-CD1 4.17Å; L90-I463 HydrophobicContact CD2-CB 4.33Å; L90-I463 HydrophobicContact CD2-CD1 3.79Å; L90-I463 HydrophobicContact CD2-CG1 3.72Å; L90-I463 HydrophobicContact CG-CD1 3.85Å; L90-I463 HydrophobicContact CG-CG1 4.21Å; K91-I463 HydrophobicContact CD-CD1 4.39Å; K91-I463 HydrophobicContact CG-CD1 3.47Å; K91-I463 VanDerWaalsContact CG-CD1 3.47Å; V94-I463 HydrophobicContact CG1-CG2 4.28Å; V94-I463 HydrophobicContact CG2-CB 4.06Å; V94-I463 HydrophobicContact CG2-CG2 3.89Å; T436-I463 HydrophobicContact CG2-CG2 3.79Å; V438-I463 HydrophobicContact CG2-CD1 3.74Å; V438-I463 HydrophobicContact CG2-CG1 3.78Å; I463-M478 PolarHBondContact N-O 3.32Å; I463-M478 PolarHBondContact O-N 3.31Å
464	P	85.3	Confident	74.1	Confident	11 Å²	11	42.8 Å²	42.8	7%	0.071	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.3	177.6	29	-35.4	0	0	0	112.9	Y466 F474 L477	P464-Y466 HydrophobicContact CB-CE2 3.87Å; P464-Y466 HydrophobicContact CG-CE2 3.94Å; P464-F474 HydrophobicContact CB-CD2 4.16Å; P464-F474 HydrophobicContact CB-CE2 3.84Å; P464-L477 HydrophobicContact CB-CD2 4.15Å
465	V	87.2	Confident	76.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.1	-177.4	-170.1	0	0	0	0	109.9	V94 T97 E98 F185 L475 G476 M478	V94-V465 HydrophobicContact CG1-CG2 4.32Å; V94-V465 HydrophobicContact CG2-CG2 4.21Å; T97-V465 HydrophobicContact CG2-CG1 3.94Å; E98-V465 HydrophobicContact CG-CG1 3.75Å; F185-V465 HydrophobicContact CD2-CG2 4.29Å; F185-V465 HydrophobicContact CE2-CB 4.14Å; F185-V465 HydrophobicContact CE2-CG2 3.95Å; V465-L475 HydrophobicContact CG1-CD1 4.31Å; V465-L475 PolarHBondContact O-N 3.46Å; V465-G476 PolarHBondContact N-O 3Å; V465-M478 HydrophobicContact CG2-CB 3.83Å
466	Y	83.2	Confident	78.1	Confident	10 Å²	10	39.6 Å²	39.6	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.3	-176.3	-54.9	-92.5	0	0	0	113.5	E98 I425 P464 L472 Q473 F474	E98-Y466 VanDerWaalsContact CG-O 3.27Å; E98-Y466 WeakPolarHBondContact CG-O 3.43Å; E98-Y466 PolarHBondContact OE1-N 3.1Å; I425-Y466 HydrophobicContact CD1-CE1 4.33Å; I425-Y466 WeakPolarHBondContact CD1-OH 3.48Å; P464-Y466 HydrophobicContact CB-CE2 3.87Å; P464-Y466 HydrophobicContact CG-CE2 3.94Å; Y466-L472 HydrophobicContact CD1-CD1 4.35Å; Y466-L472 HydrophobicContact CD1-CD2 4.07Å; Y466-L472 HydrophobicContact CD1-CG 3.96Å; Y466-L472 HydrophobicContact CE1-CD2 4.34Å; Y466-L472 HydrophobicContact CG-CD1 4.19Å; Y466-L472 HydrophobicContact CG-CG 4.31Å; Y466-Q473 CarbonylContact C-O 3.59Å; Y466-Q473 VanDerWaalsContact CA-O 3.26Å; Y466-Q473 WeakPolarHBondContact CA-O 3.15Å; Y466-F474 HydrophobicContact CD1-CB 4.28Å; Y466-F474 HydrophobicContact CE1-CB 4.25Å; Y466-F474 HydrophobicContact CE1-CD2 4.28Å
467	N	83.5	Confident	79.8	Confident	28 Å²	28	39 Å²	39	15%	0.15	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.5	158.3	-172.4	1.9	0	0	0	108.8	V101 T469 L472 Q473 L475	V101-N467 HydrophobicContact CG1-CB 4.43Å; N467-T469 WeakPolarHBondContact OD1-CG2 3.34Å; N467-T469 PolarHBondContact OD1-N 2.82Å; N467-T469 PolarHBondContact OD1-OG1 3.26Å; N467-T469 VanDerWaalsContact OD1-OG1 3.1Å; N467-L472 WeakPolarHBondContact O-CA 3.44Å; N467-Q473 HydrophobicContact CB-CB 4.36Å; N467-Q473 PolarHBondContact N-O 3.01Å; N467-Q473 PolarHBondContact O-N 3.14Å; N467-Q473 VanDerWaalsContact O-N 3.13Å; N467-L475 HydrophobicContact CB-CD1 4.07Å; N467-L475 HydrophobicContact CB-CD2 4.13Å; N467-L475 HydrophobicContact CB-CG 4.22Å
468	R	76.5	Confident	81.2	Confident	122 Å²	122	37.1 Å²	37.1	46%	0.46	17%	0.174	S	C	.	.			trans	-119	8.2	-176.6	-49.9	-167.4	-171.6	-150	0.6	114.1	E98 L472	E98-R468 VanDerWaalsContact CD-NE 3.31Å; E98-R468 VanDerWaalsContact CD-NH2 3.28Å; E98-R468 IonicContact OE1-CZ 3.93Å; E98-R468 IonicContact OE1-NE 3.61Å; E98-R468 PolarHBondContact OE1-NE 2.84Å; E98-R468 IonicContact OE1-NH2 2.78Å; E98-R468 PolarHBondContact OE1-NH2 3.29Å; E98-R468 IonicContact OE2-CZ 3.77Å; E98-R468 IonicContact OE2-NE 2.87Å; E98-R468 PolarHBondContact OE2-NE 3.04Å; E98-R468 IonicContact OE2-NH2 2.84Å; E98-R468 PolarHBondContact OE2-NH2 3.42Å; R468-L472 HydrophobicContact CG-CD1 4.04Å
469	T	74.7	Confident	81.9	Confident	81 Å²	81	36.9 Å²	36.9	50%	0.497	17%	0.173	S	C	.	.	S	Bend	trans	-67.2	-51.7	-170.8	51.2	0	0	0	0	114.8	N467	N467-T469 WeakPolarHBondContact OD1-CG2 3.34Å; N467-T469 PolarHBondContact OD1-N 2.82Å; N467-T469 PolarHBondContact OD1-OG1 3.26Å; N467-T469 VanDerWaalsContact OD1-OG1 3.1Å
470	E	66.9	Low	82.4	Confident	193 Å²	193	36.9 Å²	36.9	90%	0.902	17%	0.173	S	C	*	.	S	Bend	trans	-125.9	-43.9	-178	-64.7	-171.1	165.7	0	0	112.6
471	K	66.4	Low	82.4	Confident	140 Å²	140	36.9 Å²	36.9	61%	0.609	17%	0.173	S	C	*	.	S	Bend	trans	-140.2	133	179.6	-173.3	-178.7	-179.3	-173.9	0	107.9	Q473	K471-Q473 PolarHBondContact O-N 3.37Å; K471-Q473 VanDerWaalsContact O-N 3.16Å
472	L	69.6	Low	82.1	Confident	47 Å²	47	37 Å²	37	25%	0.246	17%	0.174	C	C	.	.			trans	-60.1	120.6	178.5	-161.6	80.1	0	0	0	109.7	F427 P433 Y466 N467 R468	F427-L472 HydrophobicContact CD1-CD2 4.12Å; F427-L472 HydrophobicContact CE1-CB 3.89Å; F427-L472 HydrophobicContact CE1-CD2 3.72Å; F427-L472 HydrophobicContact CE1-CG 4.46Å; P433-L472 HydrophobicContact CB-CD1 4.19Å; P433-L472 HydrophobicContact CB-CD2 3.9Å; Y466-L472 HydrophobicContact CD1-CD1 4.35Å; Y466-L472 HydrophobicContact CD1-CD2 4.07Å; Y466-L472 HydrophobicContact CD1-CG 3.96Å; Y466-L472 HydrophobicContact CE1-CD2 4.34Å; Y466-L472 HydrophobicContact CG-CD1 4.19Å; Y466-L472 HydrophobicContact CG-CG 4.31Å; N467-L472 WeakPolarHBondContact O-CA 3.44Å; R468-L472 HydrophobicContact CG-CD1 4.04Å
473	Q	75.5	Confident	81.6	Confident	95 Å²	95	37.9 Å²	37.9	44%	0.444	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.7	178.8	179.2	-178	3.1	0	0	109.2	Y466 N467 K471	Y466-Q473 CarbonylContact C-O 3.59Å; Y466-Q473 VanDerWaalsContact CA-O 3.26Å; Y466-Q473 WeakPolarHBondContact CA-O 3.15Å; N467-Q473 HydrophobicContact CB-CB 4.36Å; N467-Q473 PolarHBondContact N-O 3.01Å; N467-Q473 PolarHBondContact O-N 3.14Å; N467-Q473 VanDerWaalsContact O-N 3.13Å; K471-Q473 PolarHBondContact O-N 3.37Å; K471-Q473 VanDerWaalsContact O-N 3.16Å
474	F	79.4	Confident	81.2	Confident	37 Å²	37	38.4 Å²	38.4	16%	0.162	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.1	171.5	174.4	-103.6	0	0	0	110.4	F188 F216 P464 Y466 G476 L477	F188-F474 HydrophobicContact CB-CD1 4.13Å; F188-F474 HydrophobicContact CB-CE1 4.1Å; F216-F474 HydrophobicContact CE1-CE1 4.42Å; F216-F474 AromaticContact CZ-CE1 3.97Å; F216-F474 HydrophobicContact CZ-CE1 3.97Å; F216-F474 HydrophobicContact CZ-CZ 4.17Å; P464-F474 HydrophobicContact CB-CD2 4.16Å; P464-F474 HydrophobicContact CB-CE2 3.84Å; Y466-F474 HydrophobicContact CD1-CB 4.28Å; Y466-F474 HydrophobicContact CE1-CB 4.25Å; Y466-F474 HydrophobicContact CE1-CD2 4.28Å; F474-G476 WeakPolarHBondContact CE2-O 3.09Å; F474-G476 VanDerWaalsContact CZ-C 3.44Å; F474-G476 VanDerWaalsContact CZ-CA 3.46Å; F474-L477 HydrophobicContact CE2-CG 4.42Å; F474-L477 HydrophobicContact CZ-CG 4.24Å
475	L	86.3	Confident	80.6	Confident	11 Å²	11	39.1 Å²	39.1	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-25.6	-178.4	-63.8	172.6	0	0	0	112.9	V101 F185 S187 F188 V465 N467	V101-L475 HydrophobicContact CB-CD1 4.19Å; V101-L475 HydrophobicContact CG1-CD1 3.73Å; V101-L475 HydrophobicContact CG2-CD1 4.03Å; F185-L475 HydrophobicContact CZ-CB 4.31Å; S187-L475 WeakPolarHBondContact CA-O 3.41Å; S187-L475 PolarHBondContact OG-O 3.1Å; F188-L475 WeakPolarHBondContact CD1-O 3.33Å; F188-L475 PolarHBondContact N-O 2.71Å; F188-L475 VanDerWaalsContact N-O 3.09Å; V465-L475 HydrophobicContact CG1-CD1 4.31Å; V465-L475 PolarHBondContact O-N 3.46Å; N467-L475 HydrophobicContact CB-CD1 4.07Å; N467-L475 HydrophobicContact CB-CD2 4.13Å; N467-L475 HydrophobicContact CB-CG 4.22Å
476	G	88	Confident	80	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.9	-175.4	-168.7	0	0	0	0	0	112.9	A186 V465 F474	A186-G476 CarbonylContact O-C 3.52Å; A186-G476 WeakPolarHBondContact O-CA 3.46Å; V465-G476 PolarHBondContact N-O 3Å; F474-G476 WeakPolarHBondContact CE2-O 3.09Å; F474-G476 VanDerWaalsContact CZ-C 3.44Å; F474-G476 VanDerWaalsContact CZ-CA 3.46Å
477	L	88.2	Confident	79.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.9	174.2	-74.4	154.9	0	0	0	109.5	F185 A186 F216 P464 F474	F185-L477 CarbonylContact C-O 3.51Å; F185-L477 WeakPolarHBondContact CA-O 3.36Å; F185-L477 WeakPolarHBondContact CD2-O 3.16Å; A186-L477 PolarHBondContact N-O 2.92Å; A186-L477 PolarHBondContact O-N 2.67Å; F216-L477 HydrophobicContact CB-CD1 4.29Å; F216-L477 HydrophobicContact CD2-CD1 3.77Å; F216-L477 HydrophobicContact CE2-CD1 4.23Å; F216-L477 HydrophobicContact CG-CD1 4.03Å; P464-L477 HydrophobicContact CB-CD2 4.15Å; F474-L477 HydrophobicContact CE2-CG 4.42Å; F474-L477 HydrophobicContact CZ-CG 4.24Å
478	M	91.9	Very high	79.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.7	160.5	-160.9	71.2	78.4	0	0	107.9	L90 V94 T97 L170 F174 Y184 F185 S462 I463 V465	L90-M478 HydrophobicContact CD1-CB 4.16Å; L90-M478 HydrophobicContact CD1-CG 3.62Å; V94-M478 HydrophobicContact CG2-CB 3.57Å; V94-M478 HydrophobicContact CG2-CG 4.11Å; T97-M478 HydrophobicContact CG2-CE 3.81Å; T97-M478 WeakPolarHBondContact OG1-CE 3.31Å; L170-M478 HydrophobicContact CD2-CE 4.32Å; F174-M478 HydrophobicContact CE1-CE 4.43Å; F174-M478 HydrophobicContact CE1-SD 3.69Å; F174-M478 HydrophobicContact CZ-SD 4.4Å; Y184-M478 CarbonylContact O-C 3.52Å; Y184-M478 WeakPolarHBondContact O-CA 3.31Å; Y184-M478 VanDerWaalsContact O-SD 3.35Å; F185-M478 HydrophobicContact CB-CE 4.42Å; F185-M478 HydrophobicContact CB-SD 3.82Å; F185-M478 HydrophobicContact CD2-CE 4.12Å; F185-M478 HydrophobicContact CD2-SD 4.17Å; F185-M478 HydrophobicContact CG-SD 4.46Å; S462-M478 CarbonylContact C-O 3.54Å; S462-M478 WeakPolarHBondContact CA-O 3.43Å; I463-M478 PolarHBondContact N-O 3.32Å; I463-M478 PolarHBondContact O-N 3.31Å; V465-M478 HydrophobicContact CG2-CB 3.83Å
479	G	90.8	Very high	79.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	173	174.4	0	0	0	0	0	114.7	T183 Y184 I461	T183-G479 CarbonylContact C-O 3.55Å; T183-G479 WeakPolarHBondContact CA-O 3.35Å; Y184-G479 WeakPolarHBondContact CD1-O 3.34Å; Y184-G479 VanDerWaalsContact CE1-C 3.42Å; Y184-G479 PolarHBondContact N-O 2.92Å; Y184-G479 PolarHBondContact O-N 3.15Å; I461-G479 CarbonylContact O-C 3.46Å; I461-G479 WeakPolarHBondContact O-CA 3.43Å
480	T	90.7	Very high	79.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.6	175.9	-177.6	0	0	0	0	108.3	M86 L90 L180 H181 F182 I461	M86-T480 HydrophobicContact CB-CG2 4.41Å; M86-T480 HydrophobicContact CE-CG2 3.86Å; L90-T480 HydrophobicContact CD2-CG2 4.37Å; L180-T480 HydrophobicContact CD2-CG2 3.86Å; H181-T480 PolarHBondContact N-OG1 3.32Å; H181-T480 PolarHBondContact O-OG1 3.41Å; F182-T480 WeakPolarHBondContact O-CA 3.36Å; I461-T480 HydrophobicContact CB-CG2 3.8Å; I461-T480 HydrophobicContact CD1-CG2 4.45Å; I461-T480 HydrophobicContact CG2-CG2 4.14Å; I461-T480 PolarHBondContact N-O 3.36Å; I461-T480 PolarHBondContact O-N 3.42Å
481	E	84.3	Confident	80.4	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.3	176.7	-63.6	-51.5	125.5	0	0	111.8	H181 F182 Y184 V446 M458 S460 P483	H181-E481 PolarHBondContact O-N 3.04Å; F182-E481 HydrophobicContact CB-CB 4.45Å; F182-E481 HydrophobicContact CB-CG 4.46Å; F182-E481 PolarHBondContact O-N 2.87Å; Y184-E481 WeakPolarHBondContact CE1-OE1 3.29Å; V446-E481 HydrophobicContact CB-CG 4.48Å; V446-E481 WeakPolarHBondContact CG2-OE1 3.33Å; M458-E481 HydrophobicContact CB-CB 4.28Å; M458-E481 HydrophobicContact CB-CG 4.5Å; M458-E481 VanDerWaalsContact CB-OE2 3.25Å; M458-E481 WeakPolarHBondContact CB-OE2 3.37Å; M458-E481 HydrophobicContact SD-CB 3.51Å; M458-E481 VanDerWaalsContact SD-CB 3.51Å; M458-E481 HydrophobicContact SD-CG 3.78Å; S460-E481 WeakPolarHBondContact CA-OE1 3.16Å; S460-E481 WeakPolarHBondContact CA-OE2 3.28Å; S460-E481 WeakPolarHBondContact CB-OE1 3.48Å; S460-E481 VanDerWaalsContact CB-OE2 3.28Å; S460-E481 WeakPolarHBondContact CB-OE2 3.21Å; S460-E481 PolarHBondContact N-OE2 2.81Å; S460-E481 PolarHBondContact OG-OE1 3.16Å; E481-P483 WeakPolarHBondContact O-CD 3.39Å
482	L	82.3	Confident	81.1	Confident	3 Å²	3	20.8 Å²	20.8	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.3	164.4	168.5	59.5	0	0	0	108.3	I83 M86 V459 I461 I484 L486 M487	I83-L482 HydrophobicContact CD1-CD2 4.05Å; I83-L482 HydrophobicContact CG1-CD2 3.73Å; M86-L482 HydrophobicContact CE-CB 4.14Å; M86-L482 HydrophobicContact SD-CB 4.31Å; M86-L482 HydrophobicContact SD-CD1 4.41Å; V459-L482 HydrophobicContact CB-CB 4.19Å; V459-L482 HydrophobicContact CB-CG 4.49Å; V459-L482 PolarHBondContact N-O 3.21Å; V459-L482 PolarHBondContact O-N 2.84Å; I461-L482 HydrophobicContact CD1-CB 4.28Å; L482-I484 PolarHBondContact O-N 2.86Å; L482-L486 HydrophobicContact CD1-CB 3.96Å; L482-L486 HydrophobicContact CD1-CD2 3.52Å; L482-L486 HydrophobicContact CD1-CG 4.32Å; L482-M487 HydrophobicContact CD2-CG 4.09Å; L482-M487 HydrophobicContact CD2-SD 4.18Å; L482-M487 HydrophobicContact CG-CG 4.22Å
483	P	76.9	Confident	81.3	Confident	18 Å²	18	23.3 Å²	23.3	12%	0.117	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.2	176.8	-23.8	35	0	0	0	110.8	H181 E481 E485 L486	H181-P483 VanDerWaalsContact CD2-CG 3.43Å; H181-P483 WeakPolarHBondContact CD2-CG 3.28Å; E481-P483 WeakPolarHBondContact O-CD 3.39Å; P483-E485 PolarHBondContact O-N 2.68Å; P483-L486 WeakPolarHBondContact O-CB 3.24Å; P483-L486 PolarHBondContact O-N 3.1Å
484	I	76.9	Confident	81.1	Confident	11 Å²	11	20.9 Å²	20.9	6%	0.056	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-28.1	176.9	-76.4	170	0	0	0	111.4	L457 V459 L482 L486 M487 M488 V512 F513	L457-I484 HydrophobicContact CB-CD1 3.68Å; L457-I484 WeakPolarHBondContact O-CB 3.39Å; L457-I484 WeakPolarHBondContact O-CD1 3.5Å; L457-I484 WeakPolarHBondContact O-CG1 3.37Å; L457-I484 PolarHBondContact O-N 2.93Å; V459-I484 HydrophobicContact CG2-CG1 4.23Å; L482-I484 PolarHBondContact O-N 2.86Å; I484-L486 PolarHBondContact O-N 3.11Å; I484-M487 CarbonylContact O-C 3.52Å; I484-M487 WeakPolarHBondContact O-CA 3.47Å; I484-M487 WeakPolarHBondContact O-CB 3.22Å; I484-M487 PolarHBondContact O-N 2.91Å; I484-M488 HydrophobicContact CG2-CG 4.04Å; I484-M488 HydrophobicContact CG2-SD 3.88Å; I484-M488 WeakPolarHBondContact O-CG 3.48Å; I484-M488 PolarHBondContact O-N 3.14Å; I484-V512 HydrophobicContact CD1-CG1 4.35Å; I484-V512 WeakPolarHBondContact CD1-O 3.3Å; I484-F513 HydrophobicContact CD1-CB 4.16Å; I484-F513 HydrophobicContact CG1-CB 4.48Å; I484-F513 HydrophobicContact CG2-CB 3.48Å; I484-F513 VanDerWaalsContact CG2-CB 3.48Å; I484-F513 HydrophobicContact CG2-CD1 4.3Å; I484-F513 HydrophobicContact CG2-CG 4.03Å
485	E	72.9	Confident	81.1	Confident	25 Å²	25	21.2 Å²	21.2	12%	0.117	11%	0.112	C	C	.	.	H	α-helix	trans	-55.4	-34.5	171.2	-168.9	168.3	155.1	0	0	112.7	H137 P483 M488 N489 K649	H137-E485 IonicContact CE1-OE1 2.97Å; H137-E485 IonicContact CE1-OE2 3.85Å; H137-E485 PolarHBondContact CE1-OE2 3.47Å; H137-E485 IonicContact NE2-OE2 2.66Å; P483-E485 PolarHBondContact O-N 2.68Å; E485-M488 PolarHBondContact O-N 3.44Å; E485-N489 VanDerWaalsContact O-CB 3.27Å; E485-N489 WeakPolarHBondContact O-CB 3.44Å; E485-N489 PolarHBondContact O-N 3.29Å; E485-N489 PolarHBondContact O-ND2 2.78Å; E485-K649 VanDerWaalsContact OE1-CD 3.28Å; E485-K649 WeakPolarHBondContact OE1-CD 3.38Å; E485-K649 VanDerWaalsContact OE1-CE 3.24Å; E485-K649 WeakPolarHBondContact OE1-CE 3.48Å; E485-K649 IonicContact OE1-NZ 2.78Å; E485-K649 PolarHBondContact OE1-NZ 3.17Å; E485-K649 IonicContact OE2-NZ 3.75Å
486	L	76	Confident	80.7	Confident	35 Å²	35	20.7 Å²	20.7	18%	0.183	11%	0.109	C	C	.	.	H	α-helix	trans	-69.7	-37.4	174.1	-159.3	80.5	0	0	0	111.8	I82 L482 P483 I484 G490 H653 V654	I82-L486 HydrophobicContact CG2-CD2 4.37Å; L482-L486 HydrophobicContact CD1-CB 3.96Å; L482-L486 HydrophobicContact CD1-CD2 3.52Å; L482-L486 HydrophobicContact CD1-CG 4.32Å; P483-L486 WeakPolarHBondContact O-CB 3.24Å; P483-L486 PolarHBondContact O-N 3.1Å; I484-L486 PolarHBondContact O-N 3.11Å; L486-G490 PolarHBondContact O-N 3.34Å; L486-H653 WeakPolarHBondContact CD1-O 3.46Å; L486-V654 HydrophobicContact CD1-CG2 3.94Å
487	M	81.4	Confident	80.1	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-37.9	174.7	-60.4	-177	77	0	0	111.5	Y75 I79 V459 L482 I484 G490 V504 F513 L584	Y75-M487 WeakPolarHBondContact CE2-O 3.34Å; Y75-M487 PolarHBondContact OH-O 3.06Å; I79-M487 HydrophobicContact CG2-CE 4.06Å; I79-M487 HydrophobicContact CG2-CG 4.49Å; V459-M487 HydrophobicContact CG2-SD 3.68Å; L482-M487 HydrophobicContact CD2-CG 4.09Å; L482-M487 HydrophobicContact CD2-SD 4.18Å; L482-M487 HydrophobicContact CG-CG 4.22Å; I484-M487 CarbonylContact O-C 3.52Å; I484-M487 WeakPolarHBondContact O-CA 3.47Å; I484-M487 WeakPolarHBondContact O-CB 3.22Å; I484-M487 PolarHBondContact O-N 2.91Å; M487-G490 PolarHBondContact O-N 3.31Å; M487-V504 HydrophobicContact CE-CG2 4.45Å; M487-F513 HydrophobicContact CB-CD1 4.44Å; M487-F513 HydrophobicContact CB-CE1 4.05Å; M487-F513 HydrophobicContact CE-CD1 4.42Å; M487-F513 HydrophobicContact CE-CE1 4.05Å; M487-F513 HydrophobicContact SD-CD1 4.42Å; M487-F513 HydrophobicContact SD-CE1 4.47Å; M487-L584 HydrophobicContact CE-CD2 3.97Å
488	M	77.2	Confident	79.5	Confident	92 Å²	92	22.7 Å²	22.7	45%	0.453	12%	0.121	S	C	.	.	H	α-helix	trans	-72.2	-41.7	177.1	-67.2	178.8	73.7	0	0	112.1	I484 E485 G490 L491 F513	I484-M488 HydrophobicContact CG2-CG 4.04Å; I484-M488 HydrophobicContact CG2-SD 3.88Å; I484-M488 WeakPolarHBondContact O-CG 3.48Å; I484-M488 PolarHBondContact O-N 3.14Å; E485-M488 PolarHBondContact O-N 3.44Å; M488-G490 PolarHBondContact O-N 3.32Å; M488-G490 VanDerWaalsContact O-N 3.16Å; M488-L491 VanDerWaalsContact O-CB 3.24Å; M488-L491 WeakPolarHBondContact O-CB 3.35Å; M488-L491 WeakPolarHBondContact O-CG 3.33Å; M488-L491 PolarHBondContact O-N 3.06Å; M488-F513 HydrophobicContact CG-CD2 4.37Å; M488-F513 HydrophobicContact CG-CE2 4.5Å
489	N	72.7	Confident	79.1	Confident	18 Å²	18	23.4 Å²	23.4	10%	0.096	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-15.9	173	-69.7	-15.9	0	0	0	112.8	E485 L491 I650 V654	E485-N489 VanDerWaalsContact O-CB 3.27Å; E485-N489 WeakPolarHBondContact O-CB 3.44Å; E485-N489 PolarHBondContact O-N 3.29Å; E485-N489 PolarHBondContact O-ND2 2.78Å; N489-L491 VanDerWaalsContact C-N 3.32Å; N489-I650 HydrophobicContact CB-CG1 3.96Å; N489-V654 HydrophobicContact CB-CG2 4.45Å
490	G	77.9	Confident	79	Confident	6 Å²	6	23.7 Å²	23.7	6%	0.062	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.5	169.7	0	0	0	0	0	114.9	Y75 R78 L486 M487 M488	Y75-G490 WeakPolarHBondContact CD2-O 3.22Å; R78-G490 PolarHBondContact NH1-O 3.09Å; R78-G490 VanDerWaalsContact NH1-O 3.13Å; L486-G490 PolarHBondContact O-N 3.34Å; M487-G490 PolarHBondContact O-N 3.31Å; M488-G490 PolarHBondContact O-N 3.32Å; M488-G490 VanDerWaalsContact O-N 3.16Å
491	L	82.5	Confident	78.9	Confident	17 Å²	17	25.7 Å²	25.7	9%	0.089	14%	0.136	C	C	.	.	S	Bend	trans	-78.9	143.8	-175.5	-62.2	170.6	0	0	0	112.3	Y75 M488 N489 Q493 L496 A502 F513 F593	Y75-L491 HydrophobicContact CD2-CD2 3.87Å; Y75-L491 HydrophobicContact CE1-CD2 4.24Å; Y75-L491 HydrophobicContact CE2-CD2 3.45Å; Y75-L491 VanDerWaalsContact CE2-CD2 3.45Å; Y75-L491 HydrophobicContact CE2-CG 3.97Å; Y75-L491 HydrophobicContact CG-CD2 4.41Å; M488-L491 VanDerWaalsContact O-CB 3.24Å; M488-L491 WeakPolarHBondContact O-CB 3.35Å; M488-L491 WeakPolarHBondContact O-CG 3.33Å; M488-L491 PolarHBondContact O-N 3.06Å; N489-L491 VanDerWaalsContact C-N 3.32Å; L491-Q493 PolarHBondContact O-N 2.71Å; L491-L496 HydrophobicContact CB-CD1 4.17Å; L491-A502 HydrophobicContact CD1-CB 3.89Å; L491-A502 HydrophobicContact CD2-CB 3.46Å; L491-A502 VanDerWaalsContact CD2-CB 3.46Å; L491-A502 HydrophobicContact CG-CB 4.36Å; L491-F513 HydrophobicContact CD1-CE2 4.37Å; L491-F593 HydrophobicContact CD2-CE1 3.53Å; L491-F593 HydrophobicContact CD2-CZ 3.61Å
492	P	81.6	Confident	79.3	Confident	21 Å²	21	25.9 Å²	25.9	14%	0.136	14%	0.137	C	C	.	.			trans	-79.3	63.8	175.6	34.4	-36.4	0	0	0	110.9	F66 E71 S494 K495 L496 F593	F66-P492 HydrophobicContact CE2-CG 4.41Å; F66-P492 HydrophobicContact CZ-CG 4.08Å; E71-P492 HydrophobicContact CG-CG 3.78Å; P492-S494 VanDerWaalsContact C-N 3.25Å; P492-S494 PolarHBondContact O-N 2.8Å; P492-S494 VanDerWaalsContact O-N 3.13Å; P492-K495 HydrophobicContact CB-CB 4.37Å; P492-K495 PolarHBondContact O-N 2.87Å; P492-L496 HydrophobicContact CG-CD1 4.13Å; P492-L496 HydrophobicContact CG-CG 4.19Å; P492-L496 PolarHBondContact O-N 3.29Å; P492-F593 HydrophobicContact CG-CE2 4.35Å
493	Q	73	Confident	79.8	Confident	100 Å²	100	25.7 Å²	25.7	47%	0.467	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.6	-168.9	-162.4	69	11.2	0	0	113.9	L491 K495	L491-Q493 PolarHBondContact O-N 2.71Å; Q493-K495 VanDerWaalsContact C-N 3.31Å; Q493-K495 PolarHBondContact O-N 3.14Å
494	S	71.9	Confident	80.5	Confident	44 Å²	44	24.9 Å²	24.9	31%	0.308	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.3	175.1	52.6	0	0	0	0	113.8	P492	P492-S494 VanDerWaalsContact C-N 3.25Å; P492-S494 PolarHBondContact O-N 2.8Å; P492-S494 VanDerWaalsContact O-N 3.13Å
495	K	80.7	Confident	81.2	Confident	43 Å²	43	24.3 Å²	24.3	19%	0.187	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-25	-177.2	-51.1	-170.7	-179.3	-175.9	0	112.7	F66 P492 Q493 Y497 F602 E926	F66-K495 HydrophobicContact CD2-CB 3.63Å; F66-K495 HydrophobicContact CE2-CB 3.42Å; F66-K495 VanDerWaalsContact CE2-CB 3.42Å; F66-K495 HydrophobicContact CE2-CD 4.37Å; F66-K495 HydrophobicContact CE2-CG 4.47Å; F66-K495 HydrophobicContact CZ-CB 4.17Å; P492-K495 HydrophobicContact CB-CB 4.37Å; P492-K495 PolarHBondContact O-N 2.87Å; Q493-K495 VanDerWaalsContact C-N 3.31Å; Q493-K495 PolarHBondContact O-N 3.14Å; K495-Y497 PolarHBondContact O-N 2.86Å; K495-F602 HydrophobicContact CB-CB 4.25Å; K495-F602 HydrophobicContact CB-CD2 4.45Å; K495-F602 HydrophobicContact CB-CG 4.21Å; K495-F602 HydrophobicContact CD-CD2 3.73Å; K495-F602 HydrophobicContact CD-CE2 3.72Å; K495-F602 HydrophobicContact CD-CG 4.21Å; K495-F602 HydrophobicContact CD-CZ 4.17Å; K495-F602 HydrophobicContact CG-CB 4.38Å; K495-F602 HydrophobicContact CG-CD2 3.79Å; K495-F602 HydrophobicContact CG-CE2 4.31Å; K495-F602 HydrophobicContact CG-CG 4.06Å; K495-E926 WeakPolarHBondContact CE-OE2 3.49Å; K495-E926 VanDerWaalsContact NZ-CD 3.29Å; K495-E926 IonicContact NZ-OE1 2.73Å; K495-E926 PolarHBondContact NZ-OE1 3.2Å; K495-E926 IonicContact NZ-OE2 3.64Å; K495-E926 PolarHBondContact NZ-OE2 3.22Å
496	L	78	Confident	81.9	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-67.3	-12.8	177	-87.6	165.3	0	0	0	114.7	F66 L68 L491 P492 G500 F593	F66-L496 HydrophobicContact CE1-CD2 4.05Å; F66-L496 HydrophobicContact CE1-CG 4.44Å; F66-L496 HydrophobicContact CZ-CD2 4.33Å; F66-L496 HydrophobicContact CZ-CG 4.31Å; L68-L496 HydrophobicContact CD1-CD2 4.27Å; L491-L496 HydrophobicContact CB-CD1 4.17Å; P492-L496 HydrophobicContact CG-CD1 4.13Å; P492-L496 HydrophobicContact CG-CG 4.19Å; P492-L496 PolarHBondContact O-N 3.29Å; L496-G500 VanDerWaalsContact O-CA 3.31Å; L496-G500 WeakPolarHBondContact O-CA 3.48Å; L496-F593 HydrophobicContact CD2-CB 4.39Å; L496-F593 HydrophobicContact CD2-CD2 3.95Å; L496-F593 HydrophobicContact CD2-CG 4.31Å
497	Y	74.6	Confident	82.4	Confident	12 Å²	12	23.2 Å²	23.2	5%	0.047	12%	0.124	C	C	.	.			trans	68.9	148.8	-179.2	-178.8	-90.2	0	0	0	113.6	K495 T499 G500 P596 Q599 Y995 K1154	K495-Y497 PolarHBondContact O-N 2.86Å; Y497-T499 HydrophobicContact CE1-CG2 4.37Å; Y497-T499 WeakPolarHBondContact CE1-OG1 3.27Å; Y497-T499 PolarHBondContact O-N 2.7Å; Y497-G500 PolarHBondContact O-N 2.92Å; Y497-P596 HydrophobicContact CD1-CG 4.12Å; Y497-P596 HydrophobicContact CE1-CG 4.13Å; Y497-Q599 HydrophobicContact CD2-CB 4.37Å; Y497-Q599 HydrophobicContact CE1-CB 4.42Å; Y497-Q599 HydrophobicContact CE1-CG 4.37Å; Y497-Q599 HydrophobicContact CE2-CB 4.22Å; Y497-Q599 HydrophobicContact CE2-CG 4.01Å; Y497-Y995 HydrophobicContact CE1-CG 4.34Å; Y497-Y995 HydrophobicContact CE2-CE1 4.48Å; Y497-Y995 AromaticContact CZ-CD1 3.82Å; Y497-Y995 WeakPolarHBondContact OH-CD1 3.31Å; Y497-Y995 WeakPolarHBondContact OH-CE1 3.06Å; Y497-Y995 VanDerWaalsContact OH-CG 3.29Å; Y497-K1154 HydrophobicContact CE2-CB 4.1Å; Y497-K1154 WeakPolarHBondContact OH-CB 3.38Å; Y497-K1154 WeakPolarHBondContact OH-CD 3.34Å
498	P	76.4	Confident	82.7	Confident	30 Å²	30	23.5 Å²	23.5	20%	0.195	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17	-169.1	-28.6	37.4	0	0	0	116.9	N963 W985 P986 Y995	P498-N963 HydrophobicContact CG-CB 4.27Å; P498-W985 HydrophobicContact CB-CZ2 4.23Å; P498-W985 HydrophobicContact CG-CZ2 4.08Å; P498-P986 HydrophobicContact CB-CB 4.23Å; P498-Y995 HydrophobicContact CB-CE2 3.92Å; P498-Y995 HydrophobicContact CG-CE2 4.13Å
499	T	82.3	Confident	83.3	Confident	15 Å²	15	19.1 Å²	19.1	9%	0.092	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	9.1	174.3	74.1	0	0	0	0	113.8	Y497 R577 P596 Q992 Y995	Y497-T499 HydrophobicContact CE1-CG2 4.37Å; Y497-T499 WeakPolarHBondContact CE1-OG1 3.27Å; Y497-T499 PolarHBondContact O-N 2.7Å; T499-R577 PolarHBondContact O-NH1 2.03Å; T499-P596 VanDerWaalsContact OG1-CG 3.31Å; T499-P596 WeakPolarHBondContact OG1-CG 3.49Å; T499-Q992 HydrophobicContact CG2-CB 4.27Å; T499-Q992 HydrophobicContact CG2-CG 4Å; T499-Y995 HydrophobicContact CG2-CD2 3.93Å; T499-Y995 HydrophobicContact CG2-CG 4.46Å
500	G	87.9	Confident	84	Confident	6 Å²	6	19.3 Å²	19.3	6%	0.062	10%	0.103	C	C	.	.			trans	-97.1	152.9	168.9	0	0	0	0	0	111.4	L496 Y497 V594	L496-G500 VanDerWaalsContact O-CA 3.31Å; L496-G500 WeakPolarHBondContact O-CA 3.48Å; Y497-G500 PolarHBondContact O-N 2.92Å; G500-V594 CarbonylContact C-O 3.54Å; G500-V594 WeakPolarHBondContact CA-O 3.27Å
501	Y	89.3	Confident	84.5	Confident	42 Å²	42	19.5 Å²	19.5	17%	0.165	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	171	-171.6	60.1	-82.2	0	0	0	112.5	F503 H514 P515 E536 F593 V594	Y501-F503 HydrophobicContact CD2-CD1 4.33Å; Y501-F503 AromaticContact CE2-CD1 3.98Å; Y501-F503 HydrophobicContact CE2-CD1 3.98Å; Y501-F503 HydrophobicContact CE2-CE1 4.46Å; Y501-H514 AromaticContact CE2-NE2 3.54Å; Y501-P515 HydrophobicContact CD2-CG 3.99Å; Y501-P515 HydrophobicContact CG-CG 3.98Å; Y501-E536 WeakPolarHBondContact CE2-OE1 3.46Å; Y501-E536 VanDerWaalsContact OH-CD 3.27Å; Y501-E536 PolarHBondContact OH-OE1 3.41Å; Y501-F593 CarbonylContact O-C 3.57Å; Y501-F593 WeakPolarHBondContact O-CA 3.46Å; Y501-V594 HydrophobicContact CD1-CB 4.08Å; Y501-V594 HydrophobicContact CD2-CB 4.33Å; Y501-V594 HydrophobicContact CD2-CG2 4.24Å; Y501-V594 HydrophobicContact CE1-CB 3.71Å; Y501-V594 HydrophobicContact CE1-CG1 3.81Å; Y501-V594 HydrophobicContact CE1-CG2 4.33Å; Y501-V594 HydrophobicContact CE2-CB 4Å; Y501-V594 HydrophobicContact CE2-CG2 3.73Å; Y501-V594 HydrophobicContact CG-CB 4.37Å; Y501-V594 PolarHBondContact N-O 3.41Å; Y501-V594 PolarHBondContact O-N 3.34Å
502	A	92.4	Very high	84.6	Confident	4 Å²	4	18.7 Å²	18.7	3%	0.033	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.1	171.6	0	0	0	0	0	110.5	L491 F513 A592 F593	L491-A502 HydrophobicContact CD1-CB 3.89Å; L491-A502 HydrophobicContact CD2-CB 3.46Å; L491-A502 VanDerWaalsContact CD2-CB 3.46Å; L491-A502 HydrophobicContact CG-CB 4.36Å; A502-F513 HydrophobicContact CB-CE2 4.13Å; A502-F513 HydrophobicContact CB-CZ 4.34Å; A502-F513 WeakPolarHBondContact O-CE2 3.07Å; A502-A592 CarbonylContact C-O 3.44Å; A502-A592 VanDerWaalsContact CA-O 3.3Å; A502-A592 WeakPolarHBondContact CA-O 3.28Å; A502-F593 HydrophobicContact CB-CD1 3.36Å; A502-F593 HydrophobicContact CB-CE1 3.5Å; A502-F593 HydrophobicContact CB-CG 4.33Å
503	F	92.7	Very high	84.7	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.1	168.9	70	-91.2	0	0	0	111.4	Y501 V505 L511 F513 H514 F532 L550 Y579 A592 V594	Y501-F503 HydrophobicContact CD2-CD1 4.33Å; Y501-F503 AromaticContact CE2-CD1 3.98Å; Y501-F503 HydrophobicContact CE2-CD1 3.98Å; Y501-F503 HydrophobicContact CE2-CE1 4.46Å; F503-V505 HydrophobicContact CD2-CG1 4.15Å; F503-V505 HydrophobicContact CE2-CG1 4.14Å; F503-L511 HydrophobicContact CB-CD2 4.32Å; F503-L511 HydrophobicContact CD2-CD2 3.77Å; F503-L511 HydrophobicContact CE2-CD2 4.49Å; F503-L511 HydrophobicContact CG-CD2 4.38Å; F503-F513 VanDerWaalsContact CA-O 3.27Å; F503-F513 WeakPolarHBondContact CA-O 3.49Å; F503-F513 VanDerWaalsContact CB-O 3.27Å; F503-F513 WeakPolarHBondContact CB-O 3.38Å; F503-H514 HydrophobicContact CB-CB 4.08Å; F503-H514 AromaticContact CG-CD2 3.95Å; F503-F532 HydrophobicContact CD2-CD2 4.29Å; F503-F532 HydrophobicContact CE1-CD2 4.3Å; F503-F532 AromaticContact CE1-CE2 3.8Å; F503-F532 HydrophobicContact CE1-CE2 3.8Å; F503-F532 HydrophobicContact CE1-CZ 4.46Å; F503-F532 AromaticContact CE2-CD2 3.62Å; F503-F532 HydrophobicContact CE2-CD2 3.62Å; F503-F532 AromaticContact CE2-CE2 3.82Å; F503-F532 HydrophobicContact CE2-CE2 3.82Å; F503-F532 HydrophobicContact CE2-CG 4.07Å; F503-F532 HydrophobicContact CE2-CZ 4.42Å; F503-F532 AromaticContact CZ-CD2 3.62Å; F503-F532 HydrophobicContact CZ-CD2 3.62Å; F503-F532 HydrophobicContact CZ-CE1 4.44Å; F503-F532 AromaticContact CZ-CE2 3.29Å; F503-F532 HydrophobicContact CZ-CE2 3.29Å; F503-F532 HydrophobicContact CZ-CG 4.33Å; F503-F532 AromaticContact CZ-CZ 3.75Å; F503-F532 HydrophobicContact CZ-CZ 3.75Å; F503-L550 HydrophobicContact CE2-CD1 3.74Å; F503-L550 HydrophobicContact CZ-CD1 3.96Å; F503-Y579 HydrophobicContact CE1-CD1 4.11Å; F503-Y579 HydrophobicContact CE1-CE1 4.01Å; F503-Y579 HydrophobicContact CZ-CD1 4.4Å; F503-Y579 HydrophobicContact CZ-CE1 4.39Å; F503-A592 HydrophobicContact CD1-CB 4.05Å; F503-A592 HydrophobicContact CD2-CB 4.47Å; F503-A592 HydrophobicContact CE1-CB 3.58Å; F503-A592 HydrophobicContact CE2-CB 4.05Å; F503-A592 HydrophobicContact CG-CB 4.48Å; F503-A592 HydrophobicContact CZ-CB 3.58Å; F503-A592 PolarHBondContact N-O 3.33Å; F503-A592 PolarHBondContact O-N 2.86Å; F503-V594 HydrophobicContact CD1-CG2 4.05Å; F503-V594 HydrophobicContact CE1-CG2 3.68Å
504	V	92.1	Very high	85.3	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.2	178.2	173.7	0	0	0	0	108.9	M487 L511 V512 F513 L584 F589 G590 V591	M487-V504 HydrophobicContact CE-CG2 4.45Å; V504-L511 WeakPolarHBondContact O-CA 3.04Å; V504-V512 HydrophobicContact CB-CB 4.04Å; V504-V512 HydrophobicContact CB-CG2 4.48Å; V504-V512 HydrophobicContact CG1-CB 3.89Å; V504-V512 HydrophobicContact CG1-CG1 4.49Å; V504-V512 HydrophobicContact CG1-CG2 3.85Å; V504-V512 PolarHBondContact O-N 3.14Å; V504-F513 HydrophobicContact CB-CD1 4.08Å; V504-F513 HydrophobicContact CB-CE1 4Å; V504-F513 HydrophobicContact CG2-CD1 3.96Å; V504-F513 HydrophobicContact CG2-CE1 3.36Å; V504-F513 HydrophobicContact CG2-CZ 3.87Å; V504-F513 PolarHBondContact N-O 2.81Å; V504-F513 VanDerWaalsContact N-O 3.17Å; V504-L584 HydrophobicContact CG1-CD2 4.45Å; V504-F589 HydrophobicContact CG1-CB 3.79Å; V504-F589 HydrophobicContact CG1-CD2 3.99Å; V504-F589 HydrophobicContact CG1-CG 4.23Å; V504-G590 CarbonylContact C-O 3.34Å; V504-G590 WeakPolarHBondContact CA-O 3.3Å; V504-V591 HydrophobicContact CG2-CB 3.92Å; V504-V591 HydrophobicContact CG2-CG2 3.83Å
505	V	92	Very high	85.7	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.3	175	-71	0	0	0	0	111.9	F503 Y510 L511 F532 L550 F589 G590	F503-V505 HydrophobicContact CD2-CG1 4.15Å; F503-V505 HydrophobicContact CE2-CG1 4.14Å; V505-Y510 CarbonylContact C-O 3.5Å; V505-Y510 VanDerWaalsContact CA-O 3.3Å; V505-Y510 WeakPolarHBondContact CA-O 3.1Å; V505-L511 HydrophobicContact CG1-CD2 3.78Å; V505-F532 HydrophobicContact CG1-CB 4.13Å; V505-L550 HydrophobicContact CG2-CB 3.64Å; V505-L550 HydrophobicContact CG2-CD1 4.01Å; V505-L550 HydrophobicContact CG2-CD2 4.28Å; V505-L550 HydrophobicContact CG2-CG 4.21Å; V505-F589 VanDerWaalsContact O-CA 3.3Å; V505-F589 WeakPolarHBondContact O-CA 2.99Å; V505-F589 WeakPolarHBondContact O-CB 3.29Å; V505-G590 PolarHBondContact N-O 2.7Å; V505-G590 PolarHBondContact O-N 3.21Å
506	N	87.8	Confident	85.5	Confident	25 Å²	25	16 Å²	16	13%	0.134	10%	0.097	C	C	.	.			trans	-81.9	179	168	73.1	22.7	0	0	0	111.9	N508 G509 Y510 F589	N506-N508 PolarHBondContact O-N 2.8Å; N506-N508 WeakPolarHBondContact OD1-CB 3.4Å; N506-N508 PolarHBondContact OD1-N 3.34Å; N506-G509 PolarHBondContact O-N 2.81Å; N506-G509 PolarHBondContact OD1-N 3.49Å; N506-Y510 PolarHBondContact N-O 2.78Å; N506-Y510 PolarHBondContact OD1-N 3.49Å; N506-Y510 VanDerWaalsContact OD1-N 3.14Å; N506-F589 HydrophobicContact CB-CD1 3.91Å; N506-F589 HydrophobicContact CB-CE1 3.82Å
507	T	86.3	Confident	85.3	Confident	11 Å²	11	17.1 Å²	17.1	7%	0.067	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.1	-175.1	64.6	0	0	0	0	114.6	I551 D588 R1416	T507-I551 VanDerWaalsContact O-CG2 3.27Å; T507-I551 WeakPolarHBondContact O-CG2 3.47Å; T507-D588 HydrophobicContact CG2-CB 3.75Å; T507-D588 VanDerWaalsContact CG2-O 3.3Å; T507-D588 WeakPolarHBondContact CG2-O 3.19Å; T507-R1416 CarbonylContact C-O 3.57Å; T507-R1416 WeakPolarHBondContact CB-O 3.4Å; T507-R1416 PolarHBondContact O-N 3.34Å; T507-R1416 PolarHBondContact OG1-O 2.82Å
508	N	86.8	Confident	84.9	Confident	8 Å²	8	20.4 Å²	20.4	4%	0.043	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.8	168.8	-74.6	-42.1	0	0	0	112.7	D258 N506 Y510 R547 R1415	D258-N508 PolarHBondContact OD1-ND2 3.38Å; D258-N508 PolarHBondContact OD1-OD1 2.85Å; N506-N508 PolarHBondContact O-N 2.8Å; N506-N508 WeakPolarHBondContact OD1-CB 3.4Å; N506-N508 PolarHBondContact OD1-N 3.34Å; N508-Y510 HydrophobicContact CB-CD2 3.64Å; N508-Y510 HydrophobicContact CB-CE2 3.65Å; N508-Y510 HydrophobicContact CB-CG 4.47Å; N508-R547 PolarHBondContact O-NH2 3.04Å; N508-R1415 WeakPolarHBondContact OD1-CD 3.46Å
509	G	89.9	Confident	83.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	90.2	5	-175.4	0	0	0	0	0	114.3	N506 F532	N506-G509 PolarHBondContact O-N 2.81Å; N506-G509 PolarHBondContact OD1-N 3.49Å; G509-F532 PolarHBondContact O-N 3.46Å
510	Y	88.7	Confident	82.6	Confident	21 Å²	21	23.5 Å²	23.5	8%	0.082	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-73.7	140.7	172.7	-54.6	-53.7	0	0	0	110.3	V257 V505 N506 N508 Y529 L530	V257-Y510 HydrophobicContact CB-CE2 4.03Å; V257-Y510 HydrophobicContact CG1-CE2 4.26Å; V257-Y510 HydrophobicContact CG2-CE2 3.97Å; V505-Y510 CarbonylContact C-O 3.5Å; V505-Y510 VanDerWaalsContact CA-O 3.3Å; V505-Y510 WeakPolarHBondContact CA-O 3.1Å; N506-Y510 PolarHBondContact N-O 2.78Å; N506-Y510 PolarHBondContact OD1-N 3.49Å; N506-Y510 VanDerWaalsContact OD1-N 3.14Å; N508-Y510 HydrophobicContact CB-CD2 3.64Å; N508-Y510 HydrophobicContact CB-CE2 3.65Å; N508-Y510 HydrophobicContact CB-CG 4.47Å; Y510-Y529 WeakPolarHBondContact CD1-O 3.44Å; Y510-Y529 AromaticContact CD2-CD1 3.71Å; Y510-Y529 HydrophobicContact CD2-CD1 3.71Å; Y510-Y529 HydrophobicContact CD2-CG 4.42Å; Y510-Y529 WeakPolarHBondContact CE1-O 3.42Å; Y510-Y529 HydrophobicContact CE2-CD1 4.03Å; Y510-Y529 HydrophobicContact CE2-CG 4.45Å; Y510-Y529 HydrophobicContact CG-CD1 4.18Å; Y510-L530 CarbonylContact C-O 3.51Å; Y510-L530 VanDerWaalsContact CA-O 3.29Å; Y510-L530 WeakPolarHBondContact CA-O 3.07Å
511	L	87.9	Confident	80.9	Confident	10 Å²	10	25.3 Å²	25.3	5%	0.052	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137.9	178.6	-68	167.2	0	0	0	110.8	F503 V504 V505 H514 L517 L530 F532 V535	F503-L511 HydrophobicContact CB-CD2 4.32Å; F503-L511 HydrophobicContact CD2-CD2 3.77Å; F503-L511 HydrophobicContact CE2-CD2 4.49Å; F503-L511 HydrophobicContact CG-CD2 4.38Å; V504-L511 WeakPolarHBondContact O-CA 3.04Å; V505-L511 HydrophobicContact CG1-CD2 3.78Å; L511-H514 HydrophobicContact CD1-CB 3.83Å; L511-H514 HydrophobicContact CD2-CB 4.06Å; L511-H514 HydrophobicContact CG-CB 4.42Å; L511-L517 HydrophobicContact CB-CD1 3.74Å; L511-L517 HydrophobicContact CB-CG 4.38Å; L511-L517 HydrophobicContact CD1-CD1 4.36Å; L511-L517 HydrophobicContact CD1-CD2 4.2Å; L511-L517 HydrophobicContact CD1-CG 4.13Å; L511-L530 PolarHBondContact N-O 3.29Å; L511-F532 HydrophobicContact CD2-CB 4.03Å; L511-F532 HydrophobicContact CG-CB 4.35Å; L511-V535 HydrophobicContact CD1-CB 3.92Å; L511-V535 HydrophobicContact CD1-CG2 3.57Å
512	V	84	Confident	78.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-48.7	167.5	179.8	0	0	0	0	108.9	V459 I484 V504 F589	V459-V512 HydrophobicContact CG2-CG1 3.48Å; V459-V512 VanDerWaalsContact CG2-CG1 3.48Å; I484-V512 HydrophobicContact CD1-CG1 4.35Å; I484-V512 WeakPolarHBondContact CD1-O 3.3Å; V504-V512 HydrophobicContact CB-CB 4.04Å; V504-V512 HydrophobicContact CB-CG2 4.48Å; V504-V512 HydrophobicContact CG1-CB 3.89Å; V504-V512 HydrophobicContact CG1-CG1 4.49Å; V504-V512 HydrophobicContact CG1-CG2 3.85Å; V504-V512 PolarHBondContact O-N 3.14Å; V512-F589 HydrophobicContact CG2-CD2 4.08Å; V512-F589 HydrophobicContact CG2-CE2 4Å; V512-F589 HydrophobicContact CG2-CG 4.49Å; V512-F589 HydrophobicContact CG2-CZ 4.33Å
513	F	83.3	Confident	76.8	Confident	9 Å²	9	29.2 Å²	29.2	4%	0.039	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	151.3	167.6	76.7	-101.9	0	0	0	110.8	I484 M487 M488 L491 A502 F503 V504	I484-F513 HydrophobicContact CD1-CB 4.16Å; I484-F513 HydrophobicContact CG1-CB 4.48Å; I484-F513 HydrophobicContact CG2-CB 3.48Å; I484-F513 VanDerWaalsContact CG2-CB 3.48Å; I484-F513 HydrophobicContact CG2-CD1 4.3Å; I484-F513 HydrophobicContact CG2-CG 4.03Å; M487-F513 HydrophobicContact CB-CD1 4.44Å; M487-F513 HydrophobicContact CB-CE1 4.05Å; M487-F513 HydrophobicContact CE-CD1 4.42Å; M487-F513 HydrophobicContact CE-CE1 4.05Å; M487-F513 HydrophobicContact SD-CD1 4.42Å; M487-F513 HydrophobicContact SD-CE1 4.47Å; M488-F513 HydrophobicContact CG-CD2 4.37Å; M488-F513 HydrophobicContact CG-CE2 4.5Å; L491-F513 HydrophobicContact CD1-CE2 4.37Å; A502-F513 HydrophobicContact CB-CE2 4.13Å; A502-F513 HydrophobicContact CB-CZ 4.34Å; A502-F513 WeakPolarHBondContact O-CE2 3.07Å; F503-F513 VanDerWaalsContact CA-O 3.27Å; F503-F513 WeakPolarHBondContact CA-O 3.49Å; F503-F513 VanDerWaalsContact CB-O 3.27Å; F503-F513 WeakPolarHBondContact CB-O 3.38Å; V504-F513 HydrophobicContact CB-CD1 4.08Å; V504-F513 HydrophobicContact CB-CE1 4Å; V504-F513 HydrophobicContact CG2-CD1 3.96Å; V504-F513 HydrophobicContact CG2-CE1 3.36Å; V504-F513 HydrophobicContact CG2-CZ 3.87Å; V504-F513 PolarHBondContact N-O 2.81Å; V504-F513 VanDerWaalsContact N-O 3.17Å
514	H	86.2	Confident	74.6	Confident	22 Å²	22	30.8 Å²	30.8	10%	0.102	17%	0.167	C	C	.	.			trans	-163.5	149.4	176.2	-178.9	-94.3	0	0	0	108.1	Y501 F503 L511 G516 L517 V535 E536	Y501-H514 AromaticContact CE2-NE2 3.54Å; F503-H514 HydrophobicContact CB-CB 4.08Å; F503-H514 AromaticContact CG-CD2 3.95Å; L511-H514 HydrophobicContact CD1-CB 3.83Å; L511-H514 HydrophobicContact CD2-CB 4.06Å; L511-H514 HydrophobicContact CG-CB 4.42Å; H514-G516 PolarHBondContact ND1-N 3.05Å; H514-G516 PolarHBondContact O-N 2.95Å; H514-L517 HydrophobicContact CB-CD1 4.33Å; H514-L517 HydrophobicContact CB-CG 4.16Å; H514-L517 PolarHBondContact O-N 3.28Å; H514-L517 VanDerWaalsContact O-N 3.13Å; H514-V535 WeakPolarHBondContact ND1-CG1 3.46Å; H514-E536 IonicContact NE2-OE1 2.71Å; H514-E536 PolarHBondContact NE2-OE1 2.83Å
515	P	80.1	Confident	72.6	Confident	85 Å²	85	34.6 Å²	34.6	55%	0.552	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.8	-178.9	-21.3	31.2	0	0	0	114.8	Y501	Y501-P515 HydrophobicContact CD2-CG 3.99Å; Y501-P515 HydrophobicContact CG-CG 3.98Å
516	G	76.6	Confident	70.8	Confident	37 Å²	37	38 Å²	38	38%	0.381	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	17.1	176.5	0	0	0	0	0	115.1	H514 V535	H514-G516 PolarHBondContact ND1-N 3.05Å; H514-G516 PolarHBondContact O-N 2.95Å; G516-V535 VanDerWaalsContact O-CG1 3.31Å; G516-V535 WeakPolarHBondContact O-CG1 3.4Å
517	L	74.3	Confident	69.6	Low	23 Å²	23	38.3 Å²	38.3	12%	0.12	21%	0.21	C	C	.	.			trans	-90.3	130.1	160.4	-77.7	175.3	0	0	0	108.5	L511 H514 L530 V535	L511-L517 HydrophobicContact CB-CD1 3.74Å; L511-L517 HydrophobicContact CB-CG 4.38Å; L511-L517 HydrophobicContact CD1-CD1 4.36Å; L511-L517 HydrophobicContact CD1-CD2 4.2Å; L511-L517 HydrophobicContact CD1-CG 4.13Å; H514-L517 HydrophobicContact CB-CD1 4.33Å; H514-L517 HydrophobicContact CB-CG 4.16Å; H514-L517 PolarHBondContact O-N 3.28Å; H514-L517 VanDerWaalsContact O-N 3.13Å; L517-L530 HydrophobicContact CD2-CB 3.86Å; L517-L530 HydrophobicContact CD2-CD1 3.45Å; L517-L530 VanDerWaalsContact CD2-CD1 3.45Å; L517-L530 HydrophobicContact CD2-CG 4.3Å; L517-V535 HydrophobicContact CD2-CG2 4.1Å
518	I	66	Low	68.4	Low	81 Å²	81	39.6 Å²	39.6	42%	0.415	22%	0.218	S	C	.	.			trans	-92.5	120.2	175.6	-56.9	177.1	0	0	0	108.5	E520 E1237	I518-E520 HydrophobicContact CG2-CB 4.02Å; I518-E520 HydrophobicContact CG2-CG 3.95Å; I518-E520 PolarHBondContact O-N 3.11Å; I518-E1237 WeakPolarHBondContact CB-OE2 3.4Å; I518-E1237 PolarHBondContact N-OE1 2.86Å; I518-E1237 PolarHBondContact N-OE2 2.88Å
519	P	53.6	Low	68	Low	48 Å²	48	41.6 Å²	41.6	31%	0.312	23%	0.226	S	C	.	.			trans	-77.7	48.8	-179.3	33.5	-36.6	0	0	0	113	G454 L457	G454-P519 VanDerWaalsContact O-CG 3.29Å; G454-P519 WeakPolarHBondContact O-CG 3.36Å; L457-P519 HydrophobicContact CG-CB 4.46Å
520	E	55.5	Low	67.8	Low	62 Å²	62	42.2 Å²	42.2	29%	0.29	23%	0.229	S	C	.	.			trans	-130.1	145.5	177.7	-59.3	-167.8	152.2	0	0	109	I518	I518-E520 HydrophobicContact CG2-CB 4.02Å; I518-E520 HydrophobicContact CG2-CG 3.95Å; I518-E520 PolarHBondContact O-N 3.11Å
521	Y	53.2	Low	67.8	Low	43 Å²	43	41.2 Å²	41.2	17%	0.169	23%	0.225	C	C	.	.			cis	-136.7	158	34.1	-70.1	-78.5	0	0	0	113.9	W523 L524 E1237 T1239	Y521-W523 VanDerWaalsContact CB-CE2 3.48Å; Y521-W523 AromaticContact CD1-CH2 3.46Å; Y521-W523 HydrophobicContact CD1-CH2 3.46Å; Y521-W523 VanDerWaalsContact CD1-CH2 3.46Å; Y521-W523 AromaticContact CD1-CZ2 3.35Å; Y521-W523 HydrophobicContact CD1-CZ2 3.35Å; Y521-W523 HydrophobicContact CD1-CZ3 4.36Å; Y521-W523 HydrophobicContact CD2-CZ2 4.22Å; Y521-W523 HydrophobicContact CE1-CH2 4.19Å; Y521-W523 HydrophobicContact CE1-CZ2 4.11Å; Y521-W523 AromaticContact CG-CE2 3.83Å; Y521-W523 AromaticContact CG-CH2 3.99Å; Y521-W523 HydrophobicContact CG-CH2 3.99Å; Y521-W523 AromaticContact CG-CZ2 3.42Å; Y521-W523 HydrophobicContact CG-CZ2 3.42Å; Y521-W523 VanDerWaalsContact CG-CZ2 3.42Å; Y521-W523 PolarHBondContact O-N 3Å; Y521-L524 PolarHBondContact O-N 3.14Å; Y521-E1237 WeakPolarHBondContact CE2-O 3.46Å; Y521-T1239 HydrophobicContact CD1-CG2 4.33Å; Y521-T1239 HydrophobicContact CD2-CG2 4.1Å; Y521-T1239 HydrophobicContact CE1-CG2 3.82Å; Y521-T1239 HydrophobicContact CE2-CG2 3.53Å; Y521-T1239 HydrophobicContact CG-CG2 4.46Å; Y521-T1239 PolarHBondContact OH-OG1 2.98Å; Y521-T1239 VanDerWaalsContact OH-OG1 3.05Å
522	P	47.7	Very low	68	Low	34 Å²	34	40.8 Å²	40.8	22%	0.221	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.4	-177.8	-25.4	34.5	0	0	0	115	R201 K453	R201-P522 PolarHBondContact NH1-O 3.27Å; R201-P522 VanDerWaalsContact NH2-C 3.33Å; R201-P522 PolarHBondContact NH2-O 3.25Å; K453-P522 HydrophobicContact CD-CG 3.71Å; K453-P522 VanDerWaalsContact CE-CG 3.42Å; K453-P522 HydrophobicContact CG-CG 4.08Å
523	W	48.2	Very low	68.3	Low	94 Å²	94	41.9 Å²	41.9	36%	0.356	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4.6	-173.2	54.1	74	0	0	0	114.5	Y521 D525 T1239 P1315	Y521-W523 VanDerWaalsContact CB-CE2 3.48Å; Y521-W523 AromaticContact CD1-CH2 3.46Å; Y521-W523 HydrophobicContact CD1-CH2 3.46Å; Y521-W523 VanDerWaalsContact CD1-CH2 3.46Å; Y521-W523 AromaticContact CD1-CZ2 3.35Å; Y521-W523 HydrophobicContact CD1-CZ2 3.35Å; Y521-W523 HydrophobicContact CD1-CZ3 4.36Å; Y521-W523 HydrophobicContact CD2-CZ2 4.22Å; Y521-W523 HydrophobicContact CE1-CH2 4.19Å; Y521-W523 HydrophobicContact CE1-CZ2 4.11Å; Y521-W523 AromaticContact CG-CE2 3.83Å; Y521-W523 AromaticContact CG-CH2 3.99Å; Y521-W523 HydrophobicContact CG-CH2 3.99Å; Y521-W523 AromaticContact CG-CZ2 3.42Å; Y521-W523 HydrophobicContact CG-CZ2 3.42Å; Y521-W523 VanDerWaalsContact CG-CZ2 3.42Å; Y521-W523 PolarHBondContact O-N 3Å; W523-D525 PolarHBondContact O-N 3.11Å; W523-T1239 HydrophobicContact CZ2-CG2 3.92Å; W523-P1315 HydrophobicContact CH2-CG 3.82Å; W523-P1315 HydrophobicContact CZ2-CB 4.4Å; W523-P1315 HydrophobicContact CZ2-CG 4.05Å; W523-P1315 HydrophobicContact CZ3-CG 4.43Å
524	L	47	Very low	68.6	Low	33 Å²	33	42.9 Å²	42.9	17%	0.173	23%	0.234	C	C	.	.			trans	-79.1	120.7	171.7	-66.8	177.5	0	0	0	109.5	H448 Y521 Q1317	H448-L524 PolarHBondContact CE1-O 3.26Å; Y521-L524 PolarHBondContact O-N 3.14Å; L524-Q1317 HydrophobicContact CD2-CB 4.03Å; L524-Q1317 VanDerWaalsContact CD2-OE1 3.27Å
525	D	50.1	Low	68.8	Low	80 Å²	80	42.4 Å²	42.4	43%	0.428	23%	0.233	S	C	.	.	S	Bend	trans	-68.8	-39.1	178	-105.5	-63.3	0	0	0	111.9	R213 H448 W523	R213-D525 IonicContact CZ-OD1 3.96Å; R213-D525 PolarHBondContact NE-O 3.1Å; R213-D525 PolarHBondContact NH1-O 2.66Å; R213-D525 IonicContact NH1-OD1 2.69Å; R213-D525 PolarHBondContact NH1-OD1 3.07Å; R213-D525 IonicContact NH2-OD1 3.69Å; R213-D525 PolarHBondContact NH2-OD1 3.12Å; H448-D525 PolarHBondContact CE1-O 2.77Å; W523-D525 PolarHBondContact O-N 3.11Å
526	D	53.3	Low	69.3	Low	72 Å²	72	39 Å²	39	39%	0.385	21%	0.209	S	C	.	.	S	Bend	trans	-129.3	152.6	-179.1	-54.8	-44.7	0	0	0	110.9	R213	R213-D526 IonicContact NH1-OD1 3.72Å; R213-D526 PolarHBondContact NH1-OD1 2.87Å
527	S	62	Low	70	Confident	32 Å²	32	38 Å²	38	22%	0.224	20%	0.195	C	C	.	.			trans	-56.4	141.1	176.8	-166.1	0	0	0	0	111.9	A443 Y529	A443-S527 WeakPolarHBondContact O-CB 3.16Å; A443-S527 PolarHBondContact O-OG 3.34Å; S527-Y529 WeakPolarHBondContact O-CD2 3.37Å; S527-Y529 PolarHBondContact O-N 2.9Å; S527-Y529 VanDerWaalsContact O-N 3.14Å
528	P	62.1	Low	70.9	Confident	37 Å²	37	38.7 Å²	38.7	24%	0.24	20%	0.199	C	C	.	.			trans	-69.8	-11.1	-172.6	27.2	-35.6	0	0	0	115	L530	P528-L530 HydrophobicContact CB-CD1 4.12Å; P528-L530 HydrophobicContact CB-CG 4.11Å; P528-L530 HydrophobicContact CG-CD1 3.7Å; P528-L530 HydrophobicContact CG-CG 4.1Å
529	Y	77.9	Confident	71.9	Confident	50 Å²	50	37 Å²	37	20%	0.196	19%	0.192	C	C	.	.			trans	52	56.9	-177.7	-67.9	-76.2	0	0	0	113.7	S214 V257 Y510 S527	S214-Y529 WeakPolarHBondContact CB-OH 3.33Å; S214-Y529 PolarHBondContact OG-OH 2.83Å; V257-Y529 HydrophobicContact CG1-CD1 4.02Å; V257-Y529 HydrophobicContact CG1-CD2 3.75Å; V257-Y529 HydrophobicContact CG1-CE1 4.08Å; V257-Y529 HydrophobicContact CG1-CE2 3.83Å; V257-Y529 HydrophobicContact CG1-CG 3.84Å; V257-Y529 HydrophobicContact CG2-CD1 4.13Å; V257-Y529 HydrophobicContact CG2-CE1 3.75Å; Y510-Y529 WeakPolarHBondContact CD1-O 3.44Å; Y510-Y529 AromaticContact CD2-CD1 3.71Å; Y510-Y529 HydrophobicContact CD2-CD1 3.71Å; Y510-Y529 HydrophobicContact CD2-CG 4.42Å; Y510-Y529 WeakPolarHBondContact CE1-O 3.42Å; Y510-Y529 HydrophobicContact CE2-CD1 4.03Å; Y510-Y529 HydrophobicContact CE2-CG 4.45Å; Y510-Y529 HydrophobicContact CG-CD1 4.18Å; S527-Y529 WeakPolarHBondContact O-CD2 3.37Å; S527-Y529 PolarHBondContact O-N 2.9Å; S527-Y529 VanDerWaalsContact O-N 3.14Å
530	L	84.9	Confident	73.5	Confident	13 Å²	13	37.6 Å²	37.6	7%	0.068	19%	0.189	C	C	.	.			trans	-78.1	130.4	-179.8	-69	157.1	0	0	0	111.3	Y510 L511 L517 P528 D534 V535 F1236 E1237	Y510-L530 CarbonylContact C-O 3.51Å; Y510-L530 VanDerWaalsContact CA-O 3.29Å; Y510-L530 WeakPolarHBondContact CA-O 3.07Å; L511-L530 PolarHBondContact N-O 3.29Å; L517-L530 HydrophobicContact CD2-CB 3.86Å; L517-L530 HydrophobicContact CD2-CD1 3.45Å; L517-L530 VanDerWaalsContact CD2-CD1 3.45Å; L517-L530 HydrophobicContact CD2-CG 4.3Å; P528-L530 HydrophobicContact CB-CD1 4.12Å; P528-L530 HydrophobicContact CB-CG 4.11Å; P528-L530 HydrophobicContact CG-CD1 3.7Å; P528-L530 HydrophobicContact CG-CG 4.1Å; L530-D534 HydrophobicContact CD2-CB 4.45Å; L530-V535 HydrophobicContact CB-CG2 4.26Å; L530-F1236 HydrophobicContact CD2-CB 3.49Å; L530-F1236 VanDerWaalsContact CD2-CB 3.49Å; L530-F1236 HydrophobicContact CD2-CG 4.31Å; L530-E1237 HydrophobicContact CD1-CG 3.45Å; L530-E1237 VanDerWaalsContact CD1-CG 3.45Å; L530-E1237 WeakPolarHBondContact CD1-OE1 3.38Å; L530-E1237 HydrophobicContact CD2-CG 4.49Å
531	D	89.6	Confident	75	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-78	152.6	173.4	-159.7	-55	0	0	0	111	L533 D534 V535 R547 R1413	D531-L533 PolarHBondContact O-N 3.45Å; D531-L533 PolarHBondContact OD1-N 3.25Å; D531-D534 HydrophobicContact CB-CB 4.15Å; D531-D534 WeakPolarHBondContact CB-OD2 3.01Å; D531-D534 PolarHBondContact N-OD2 2.03Å; D531-D534 PolarHBondContact O-N 2.91Å; D531-V535 PolarHBondContact O-N 3.45Å; D531-R547 VanDerWaalsContact CG-NE 3.28Å; D531-R547 WeakPolarHBondContact OD1-CD 3.2Å; D531-R547 IonicContact OD1-CZ 3.36Å; D531-R547 IonicContact OD1-NE 2.67Å; D531-R547 PolarHBondContact OD1-NE 3.45Å; D531-R547 IonicContact OD1-NH2 3.87Å; D531-R547 IonicContact OD2-CZ 2.73Å; D531-R547 VanDerWaalsContact OD2-CZ 3.24Å; D531-R547 IonicContact OD2-NE 3.64Å; D531-R547 PolarHBondContact OD2-NE 2.95Å; D531-R547 IonicContact OD2-NH2 3.49Å; D531-R547 PolarHBondContact OD2-NH2 2.81Å; D531-R1413 WeakPolarHBondContact OD2-CD 3.41Å; D531-R1413 IonicContact OD2-CZ 2.85Å; D531-R1413 IonicContact OD2-NE 3.53Å; D531-R1413 IonicContact OD2-NH1 3.8Å; D531-R1413 PolarHBondContact OD2-NH1 2.95Å
532	F	91.2	Very high	76.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-50.5	-36.4	164.6	165.2	-120	0	0	0	112.6	F503 V505 G509 L511 D534 E536 K543 R547 Y579	F503-F532 HydrophobicContact CD2-CD2 4.29Å; F503-F532 HydrophobicContact CE1-CD2 4.3Å; F503-F532 AromaticContact CE1-CE2 3.8Å; F503-F532 HydrophobicContact CE1-CE2 3.8Å; F503-F532 HydrophobicContact CE1-CZ 4.46Å; F503-F532 AromaticContact CE2-CD2 3.62Å; F503-F532 HydrophobicContact CE2-CD2 3.62Å; F503-F532 AromaticContact CE2-CE2 3.82Å; F503-F532 HydrophobicContact CE2-CE2 3.82Å; F503-F532 HydrophobicContact CE2-CG 4.07Å; F503-F532 HydrophobicContact CE2-CZ 4.42Å; F503-F532 AromaticContact CZ-CD2 3.62Å; F503-F532 HydrophobicContact CZ-CD2 3.62Å; F503-F532 HydrophobicContact CZ-CE1 4.44Å; F503-F532 AromaticContact CZ-CE2 3.29Å; F503-F532 HydrophobicContact CZ-CE2 3.29Å; F503-F532 HydrophobicContact CZ-CG 4.33Å; F503-F532 AromaticContact CZ-CZ 3.75Å; F503-F532 HydrophobicContact CZ-CZ 3.75Å; V505-F532 HydrophobicContact CG1-CB 4.13Å; G509-F532 PolarHBondContact O-N 3.46Å; L511-F532 HydrophobicContact CD2-CB 4.03Å; L511-F532 HydrophobicContact CG-CB 4.35Å; F532-D534 VanDerWaalsContact C-N 3.35Å; F532-E536 HydrophobicContact CE2-CB 4.35Å; F532-E536 HydrophobicContact CE2-CG 4.23Å; F532-E536 WeakPolarHBondContact CE2-OE1 3.5Å; F532-E536 PolarHBondContact O-N 2.74Å; F532-K543 HydrophobicContact CE1-CB 3.78Å; F532-K543 HydrophobicContact CZ-CB 4.03Å; F532-K543 HydrophobicContact CZ-CD 4Å; F532-K543 HydrophobicContact CZ-CG 4.39Å; F532-R547 HydrophobicContact CD1-CB 3.93Å; F532-R547 HydrophobicContact CD1-CG 4.27Å; F532-R547 HydrophobicContact CE1-CB 4.29Å; F532-Y579 HydrophobicContact CE2-CE1 4.22Å; F532-Y579 AromaticContact CZ-CE1 3.99Å; F532-Y579 HydrophobicContact CZ-CE1 3.99Å
533	L	92.1	Very high	78.9	Confident	23 Å²	23	34.8 Å²	34.8	12%	0.12	19%	0.186	C	C	.	.	H	α-helix	trans	-84.1	-2.7	177.4	-51	177.3	0	0	0	114.7	D531 N538 K543 T544	D531-L533 PolarHBondContact O-N 3.45Å; D531-L533 PolarHBondContact OD1-N 3.25Å; L533-N538 HydrophobicContact CD2-CB 3.94Å; L533-K543 HydrophobicContact CD2-CB 3.76Å; L533-T544 HydrophobicContact CD1-CG2 4.36Å
534	D	89.4	Confident	81.1	Confident	30 Å²	30	33.5 Å²	33.5	16%	0.16	19%	0.189	C	C	.	.	H	α-helix	trans	-93.9	-27.7	171.2	-61.5	-32.3	0	0	0	110.7	L530 D531 F532 F1236 R1413	L530-D534 HydrophobicContact CD2-CB 4.45Å; D531-D534 HydrophobicContact CB-CB 4.15Å; D531-D534 WeakPolarHBondContact CB-OD2 3.01Å; D531-D534 PolarHBondContact N-OD2 2.03Å; D531-D534 PolarHBondContact O-N 2.91Å; F532-D534 VanDerWaalsContact C-N 3.35Å; D534-F1236 HydrophobicContact CB-CD2 3.81Å; D534-F1236 HydrophobicContact CB-CE2 3.83Å; D534-R1413 VanDerWaalsContact CG-NH1 3.29Å; D534-R1413 IonicContact OD1-CZ 2.73Å; D534-R1413 VanDerWaalsContact OD1-CZ 3.25Å; D534-R1413 IonicContact OD1-NH1 3.95Å; D534-R1413 PolarHBondContact OD1-NH1 3.29Å; D534-R1413 IonicContact OD1-NH2 3.74Å; D534-R1413 PolarHBondContact OD1-NH2 2.89Å; D534-R1413 IonicContact OD2-NH1 3.9Å; D534-R1413 PolarHBondContact OD2-NH1 3.42Å
535	V	89.2	Confident	83.3	Confident	13 Å²	13	35.8 Å²	35.8	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-90.4	-38.4	176.4	-178.6	0	0	0	0	112.5	L511 H514 G516 L517 L530 D531 K565	L511-V535 HydrophobicContact CD1-CB 3.92Å; L511-V535 HydrophobicContact CD1-CG2 3.57Å; H514-V535 WeakPolarHBondContact ND1-CG1 3.46Å; G516-V535 VanDerWaalsContact O-CG1 3.31Å; G516-V535 WeakPolarHBondContact O-CG1 3.4Å; L517-V535 HydrophobicContact CD2-CG2 4.1Å; L530-V535 HydrophobicContact CB-CG2 4.26Å; D531-V535 PolarHBondContact O-N 3.45Å; V535-K565 VanDerWaalsContact O-CD 3.26Å; V535-K565 WeakPolarHBondContact O-CD 3.04Å
536	E	91.9	Very high	85.4	Confident	12 Å²	12	32 Å²	32	6%	0.056	18%	0.181	C	C	.	.	S	Bend	trans	-107.8	137	177.9	-76.2	-165.4	-147.7	0	0	113.7	Y501 H514 F532 K543 Y579	Y501-E536 WeakPolarHBondContact CE2-OE1 3.46Å; Y501-E536 VanDerWaalsContact OH-CD 3.27Å; Y501-E536 PolarHBondContact OH-OE1 3.41Å; H514-E536 IonicContact NE2-OE1 2.71Å; H514-E536 PolarHBondContact NE2-OE1 2.83Å; F532-E536 HydrophobicContact CE2-CB 4.35Å; F532-E536 HydrophobicContact CE2-CG 4.23Å; F532-E536 WeakPolarHBondContact CE2-OE1 3.5Å; F532-E536 PolarHBondContact O-N 2.74Å; E536-K543 HydrophobicContact CB-CD 4.34Å; E536-K543 WeakPolarHBondContact OE2-CE 3.39Å; E536-K543 IonicContact OE2-NZ 3.78Å; E536-K543 PolarHBondContact OE2-NZ 3.04Å; E536-Y579 PolarHBondContact OE2-OH 3.34Å
537	F	91.7	Very high	87.4	Confident	17 Å²	17	29 Å²	29	8%	0.075	16%	0.164	C	C	.	.			trans	-56.5	140.5	170	-62.4	-49.2	0	0	0	112.8	V539 K543 F563 K565 L1231 D1233	F537-V539 HydrophobicContact CB-CG2 4.38Å; F537-K543 WeakPolarHBondContact O-CD 3.41Å; F537-K543 WeakPolarHBondContact O-CE 3.42Å; F537-K543 PolarHBondContact O-NZ 3.47Å; F537-F563 HydrophobicContact CB-CB 4.02Å; F537-F563 HydrophobicContact CD2-CB 3.75Å; F537-F563 HydrophobicContact CG-CB 4.2Å; F537-K565 HydrophobicContact CD2-CB 3.84Å; F537-K565 HydrophobicContact CD2-CG 4.49Å; F537-K565 HydrophobicContact CE2-CB 3.62Å; F537-K565 HydrophobicContact CE2-CD 4.41Å; F537-K565 HydrophobicContact CE2-CG 3.87Å; F537-K565 HydrophobicContact CZ-CB 4.28Å; F537-K565 HydrophobicContact CZ-CD 4.26Å; F537-K565 HydrophobicContact CZ-CG 4.04Å; F537-L1231 HydrophobicContact CD1-CD2 3.83Å; F537-L1231 HydrophobicContact CD1-CG 4.4Å; F537-L1231 HydrophobicContact CD2-CD2 3.82Å; F537-L1231 HydrophobicContact CE1-CD2 3.72Å; F537-L1231 HydrophobicContact CE1-CG 4.11Å; F537-L1231 HydrophobicContact CE2-CD2 3.7Å; F537-L1231 HydrophobicContact CG-CD2 3.89Å; F537-L1231 HydrophobicContact CZ-CD2 3.66Å; F537-L1231 HydrophobicContact CZ-CG 4.32Å; F537-D1233 HydrophobicContact CE1-CB 3.64Å; F537-D1233 WeakPolarHBondContact CE1-OD1 3.43Å; F537-D1233 HydrophobicContact CZ-CB 3.75Å; F537-D1233 VanDerWaalsContact CZ-CG 3.49Å
538	N	91.4	Very high	88.9	Confident	38 Å²	38	31.6 Å²	31.6	20%	0.203	17%	0.171	C	C	.	.			trans	-138	48.4	-177.2	177.7	45.8	0	0	0	110.1	L533 Y540 G541 S542 K543 T544 D562	L533-N538 HydrophobicContact CD2-CB 3.94Å; N538-Y540 VanDerWaalsContact C-N 3.26Å; N538-Y540 PolarHBondContact O-N 2.83Å; N538-G541 PolarHBondContact O-N 2.85Å; N538-G541 VanDerWaalsContact O-N 3.11Å; N538-G541 VanDerWaalsContact OD1-CA 3.31Å; N538-G541 WeakPolarHBondContact OD1-CA 2.93Å; N538-G541 PolarHBondContact OD1-O 2.97Å; N538-S542 PolarHBondContact OD1-N 3.2Å; N538-K543 HydrophobicContact CB-CB 4.24Å; N538-K543 WeakPolarHBondContact OD1-CA 3.38Å; N538-K543 VanDerWaalsContact OD1-CB 3.31Å; N538-K543 WeakPolarHBondContact OD1-CB 3.27Å; N538-K543 PolarHBondContact OD1-N 3.16Å; N538-T544 PolarHBondContact ND2-OG1 2.81Å; N538-T544 PolarHBondContact OD1-N 2.77Å; N538-D562 WeakPolarHBondContact CA-OD2 3.29Å
539	V	88.8	Confident	90.5	Very high	45 Å²	45	32 Å²	32	27%	0.273	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32	-165.7	-177.8	0	0	0	0	111.8	F537 D562 F563 L1231	F537-V539 HydrophobicContact CB-CG2 4.38Å; V539-D562 PolarHBondContact N-OD1 2.82Å; V539-D562 VanDerWaalsContact N-OD1 3.13Å; V539-D562 PolarHBondContact N-OD2 3.44Å; V539-F563 HydrophobicContact CB-CD2 3.88Å; V539-F563 HydrophobicContact CB-CE2 4.15Å; V539-F563 HydrophobicContact CG1-CD2 4.34Å; V539-F563 HydrophobicContact CG1-CE2 4.11Å; V539-F563 HydrophobicContact CG2-CD2 3.51Å; V539-F563 HydrophobicContact CG2-CE2 4.03Å; V539-F563 HydrophobicContact CG2-CG 4.34Å; V539-L1231 HydrophobicContact CG2-CD1 3.76Å; V539-L1231 HydrophobicContact CG2-CD2 4.4Å
540	Y	85.7	Confident	91.3	Very high	61 Å²	61	29.7 Å²	29.7	24%	0.239	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11.6	179.3	-50.6	-66.6	0	0	0	113.2	N538 S542 I561 D562 F563 V574 I1340	N538-Y540 VanDerWaalsContact C-N 3.26Å; N538-Y540 PolarHBondContact O-N 2.83Å; Y540-S542 PolarHBondContact O-N 3.38Å; Y540-I561 WeakPolarHBondContact CD2-O 3.49Å; Y540-D562 HydrophobicContact CD2-CB 4.39Å; Y540-F563 HydrophobicContact CE2-CD2 4.13Å; Y540-F563 HydrophobicContact CE2-CE2 4.09Å; Y540-F563 AromaticContact CZ-CE2 3.91Å; Y540-F563 VanDerWaalsContact OH-CE2 3.23Å; Y540-F563 WeakPolarHBondContact OH-CE2 3.34Å; Y540-V574 HydrophobicContact CE2-CG1 4.46Å; Y540-I1340 HydrophobicContact CE1-CD1 3.74Å; Y540-I1340 HydrophobicContact CE1-CG1 4.01Å; Y540-I1340 HydrophobicContact CE2-CD1 4.1Å; Y540-I1340 VanDerWaalsContact CZ-CD1 3.44Å; Y540-I1340 VanDerWaalsContact OH-CD1 3.26Å; Y540-I1340 WeakPolarHBondContact OH-CD1 3.41Å; Y540-I1340 WeakPolarHBondContact OH-CG1 3.2Å
541	G	87.9	Confident	91.7	Very high	27 Å²	27	29.2 Å²	29.2	28%	0.278	16%	0.158	S	C	.	.	S	Bend	trans	68.8	-11.2	-179.3	0	0	0	0	0	115.8	N538 K543 T544	N538-G541 PolarHBondContact O-N 2.85Å; N538-G541 VanDerWaalsContact O-N 3.11Å; N538-G541 VanDerWaalsContact OD1-CA 3.31Å; N538-G541 WeakPolarHBondContact OD1-CA 2.93Å; N538-G541 PolarHBondContact OD1-O 2.97Å; G541-K543 VanDerWaalsContact C-N 3.31Å; G541-K543 PolarHBondContact O-N 3.23Å; G541-T544 WeakPolarHBondContact O-CB 3.25Å; G541-T544 PolarHBondContact O-N 3.05Å; G541-T544 PolarHBondContact O-OG1 2.85Å
542	S	89.2	Confident	91.7	Very high	48 Å²	48	32 Å²	32	34%	0.336	17%	0.173	S	C	.	.	H	α-helix	trans	-54.1	-38.5	-175.8	-61.6	0	0	0	0	114.3	N538 Y540 T544 L545	N538-S542 PolarHBondContact OD1-N 3.2Å; Y540-S542 PolarHBondContact O-N 3.38Å; S542-T544 PolarHBondContact O-N 3.28Å; S542-L545 WeakPolarHBondContact O-CB 3.29Å; S542-L545 PolarHBondContact O-N 3.42Å
543	K	94	Very high	91.7	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-70.1	-23.3	-179.5	-56.7	-167.7	-172.4	169.3	0	112.3	F532 L533 E536 F537 N538 G541 L545 I546 R547 I560 Y579	F532-K543 HydrophobicContact CE1-CB 3.78Å; F532-K543 HydrophobicContact CZ-CB 4.03Å; F532-K543 HydrophobicContact CZ-CD 4Å; F532-K543 HydrophobicContact CZ-CG 4.39Å; L533-K543 HydrophobicContact CD2-CB 3.76Å; E536-K543 HydrophobicContact CB-CD 4.34Å; E536-K543 WeakPolarHBondContact OE2-CE 3.39Å; E536-K543 IonicContact OE2-NZ 3.78Å; E536-K543 PolarHBondContact OE2-NZ 3.04Å; F537-K543 WeakPolarHBondContact O-CD 3.41Å; F537-K543 WeakPolarHBondContact O-CE 3.42Å; F537-K543 PolarHBondContact O-NZ 3.47Å; N538-K543 HydrophobicContact CB-CB 4.24Å; N538-K543 WeakPolarHBondContact OD1-CA 3.38Å; N538-K543 VanDerWaalsContact OD1-CB 3.31Å; N538-K543 WeakPolarHBondContact OD1-CB 3.27Å; N538-K543 PolarHBondContact OD1-N 3.16Å; G541-K543 VanDerWaalsContact C-N 3.31Å; G541-K543 PolarHBondContact O-N 3.23Å; K543-L545 PolarHBondContact O-N 2.96Å; K543-I546 PolarHBondContact O-N 3.42Å; K543-R547 WeakPolarHBondContact O-CB 3.47Å; K543-R547 PolarHBondContact O-N 2.92Å; K543-I560 HydrophobicContact CG-CD1 3.89Å; K543-I560 HydrophobicContact CG-CG2 4.24Å; K543-Y579 WeakPolarHBondContact CE-OH 3.4Å; K543-Y579 PolarHBondContact NZ-OH 3.42Å
544	T	93.4	Very high	91.8	Very high	67 Å²	67	34 Å²	34	41%	0.411	19%	0.189	S	C	.	.	H	α-helix	trans	-56.8	-37.5	171.1	-33.6	0	0	0	0	112.1	L533 N538 G541 S542 K548	L533-T544 HydrophobicContact CD1-CG2 4.36Å; N538-T544 PolarHBondContact ND2-OG1 2.81Å; N538-T544 PolarHBondContact OD1-N 2.77Å; G541-T544 WeakPolarHBondContact O-CB 3.25Å; G541-T544 PolarHBondContact O-N 3.05Å; G541-T544 PolarHBondContact O-OG1 2.85Å; S542-T544 PolarHBondContact O-N 3.28Å; T544-K548 PolarHBondContact O-N 3.21Å
545	L	92.9	Very high	92.1	Very high	81 Å²	81	40.4 Å²	40.4	42%	0.424	21%	0.211	S	C	.	.	H	α-helix	trans	-71.4	-39.5	179	-176.7	60.1	0	0	0	111.9	S542 K543 K548 K549	S542-L545 WeakPolarHBondContact O-CB 3.29Å; S542-L545 PolarHBondContact O-N 3.42Å; K543-L545 PolarHBondContact O-N 2.96Å; L545-K548 PolarHBondContact O-N 3.41Å; L545-K549 HydrophobicContact CG-CD 4.4Å; L545-K549 WeakPolarHBondContact O-CG 3.33Å; L545-K549 PolarHBondContact O-N 3.12Å
546	I	94.4	Very high	92.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-43.9	175	-57.2	-53.9	0	0	0	111.1	K543 K548 K549 L550 E558 I560 Y579 F581	K543-I546 PolarHBondContact O-N 3.42Å; I546-K548 VanDerWaalsContact C-N 3.28Å; I546-K548 PolarHBondContact O-N 3.27Å; I546-K549 PolarHBondContact O-N 3.28Å; I546-K549 VanDerWaalsContact O-N 3.09Å; I546-L550 HydrophobicContact CG2-CD1 4.04Å; I546-L550 WeakPolarHBondContact O-CB 3.4Å; I546-L550 PolarHBondContact O-N 2.98Å; I546-E558 HydrophobicContact CD1-CB 3.91Å; I546-E558 HydrophobicContact CD1-CG 4.32Å; I546-E558 WeakPolarHBondContact CD1-OE2 3.28Å; I546-I560 HydrophobicContact CB-CD1 4.46Å; I546-I560 HydrophobicContact CG1-CD1 3.56Å; I546-I560 HydrophobicContact CG1-CG1 4.22Å; I546-Y579 HydrophobicContact CG2-CD1 4.5Å; I546-F581 HydrophobicContact CD1-CE1 3.87Å; I546-F581 HydrophobicContact CD1-CZ 4.35Å; I546-F581 HydrophobicContact CG2-CD1 4.22Å; I546-F581 HydrophobicContact CG2-CE1 4.46Å
547	R	95.3	Very high	92.5	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-55	-44.3	173.1	-175	-179.1	174.3	-67.3	1.4	111.7	N508 D531 F532 K543 I551 Y1414	N508-R547 PolarHBondContact O-NH2 3.04Å; D531-R547 VanDerWaalsContact CG-NE 3.28Å; D531-R547 WeakPolarHBondContact OD1-CD 3.2Å; D531-R547 IonicContact OD1-CZ 3.36Å; D531-R547 IonicContact OD1-NE 2.67Å; D531-R547 PolarHBondContact OD1-NE 3.45Å; D531-R547 IonicContact OD1-NH2 3.87Å; D531-R547 IonicContact OD2-CZ 2.73Å; D531-R547 VanDerWaalsContact OD2-CZ 3.24Å; D531-R547 IonicContact OD2-NE 3.64Å; D531-R547 PolarHBondContact OD2-NE 2.95Å; D531-R547 IonicContact OD2-NH2 3.49Å; D531-R547 PolarHBondContact OD2-NH2 2.81Å; F532-R547 HydrophobicContact CD1-CB 3.93Å; F532-R547 HydrophobicContact CD1-CG 4.27Å; F532-R547 HydrophobicContact CE1-CB 4.29Å; K543-R547 WeakPolarHBondContact O-CB 3.47Å; K543-R547 PolarHBondContact O-N 2.92Å; R547-I551 HydrophobicContact CG-CD1 4.03Å; R547-I551 WeakPolarHBondContact O-CB 3.43Å; R547-I551 VanDerWaalsContact O-CG1 3.29Å; R547-I551 WeakPolarHBondContact O-CG1 3.24Å; R547-I551 PolarHBondContact O-N 2.93Å; R547-Y1414 PolarHBondContact NH1-O 2.89Å
548	K	94.2	Very high	92.7	Very high	88 Å²	88	45 Å²	45	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-49.8	173.4	174.2	166.7	-176.6	-174.9	0	111.6	T544 L545 I546 L550 I551 D552 Y1414	T544-K548 PolarHBondContact O-N 3.21Å; L545-K548 PolarHBondContact O-N 3.41Å; I546-K548 VanDerWaalsContact C-N 3.28Å; I546-K548 PolarHBondContact O-N 3.27Å; K548-L550 VanDerWaalsContact C-N 3.31Å; K548-L550 PolarHBondContact O-N 3.36Å; K548-I551 PolarHBondContact O-N 3.37Å; K548-D552 WeakPolarHBondContact CE-OD2 3.43Å; K548-D552 VanDerWaalsContact CG-OD2 3.27Å; K548-D552 WeakPolarHBondContact CG-OD2 3.38Å; K548-D552 WeakPolarHBondContact O-CB 3.39Å; K548-D552 PolarHBondContact O-N 3.09Å; K548-Y1414 HydrophobicContact CB-CD1 4.07Å; K548-Y1414 HydrophobicContact CD-CD1 3.99Å; K548-Y1414 HydrophobicContact CD-CE1 4.16Å; K548-Y1414 HydrophobicContact CD-CG 4.37Å; K548-Y1414 HydrophobicContact CG-CD1 3.65Å; K548-Y1414 HydrophobicContact CG-CE1 3.79Å; K548-Y1414 HydrophobicContact CG-CG 4.47Å
549	K	95.1	Very high	92.7	Very high	46 Å²	46	49 Å²	49	20%	0.2	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-38.4	-179.9	-72.1	169	-172.8	172.3	0	112.7	L545 I546 D552 N553 A554 E558 F581	L545-K549 HydrophobicContact CG-CD 4.4Å; L545-K549 WeakPolarHBondContact O-CG 3.33Å; L545-K549 PolarHBondContact O-N 3.12Å; I546-K549 PolarHBondContact O-N 3.28Å; I546-K549 VanDerWaalsContact O-N 3.09Å; K549-D552 PolarHBondContact O-N 3.35Å; K549-N553 PolarHBondContact O-N 3.27Å; K549-A554 HydrophobicContact CB-CB 4.19Å; K549-A554 WeakPolarHBondContact O-CB 3.41Å; K549-A554 PolarHBondContact O-N 3.47Å; K549-E558 IonicContact NZ-OE1 2.7Å; K549-E558 PolarHBondContact NZ-OE1 2.68Å; K549-E558 IonicContact NZ-OE2 3.36Å; K549-E558 PolarHBondContact NZ-OE2 2.85Å; K549-F581 HydrophobicContact CB-CD2 4.32Å; K549-F581 HydrophobicContact CB-CE2 3.72Å; K549-F581 HydrophobicContact CB-CZ 4.19Å; K549-F581 HydrophobicContact CD-CE2 4.15Å; K549-F581 HydrophobicContact CD-CZ 3.86Å; K549-F581 HydrophobicContact CG-CE2 4.44Å
550	L	94.8	Very high	92.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-50.4	172.1	-80.8	163.5	0	0	0	112	F503 V505 I546 K548 D552 N553 F581 A592	F503-L550 HydrophobicContact CE2-CD1 3.74Å; F503-L550 HydrophobicContact CZ-CD1 3.96Å; V505-L550 HydrophobicContact CG2-CB 3.64Å; V505-L550 HydrophobicContact CG2-CD1 4.01Å; V505-L550 HydrophobicContact CG2-CD2 4.28Å; V505-L550 HydrophobicContact CG2-CG 4.21Å; I546-L550 HydrophobicContact CG2-CD1 4.04Å; I546-L550 WeakPolarHBondContact O-CB 3.4Å; I546-L550 PolarHBondContact O-N 2.98Å; K548-L550 VanDerWaalsContact C-N 3.31Å; K548-L550 PolarHBondContact O-N 3.36Å; L550-D552 VanDerWaalsContact C-N 3.26Å; L550-D552 PolarHBondContact O-N 3.02Å; L550-N553 WeakPolarHBondContact O-CA 3.44Å; L550-N553 PolarHBondContact O-N 3.11Å; L550-N553 PolarHBondContact O-OD1 2.89Å; L550-F581 HydrophobicContact CD2-CB 3.7Å; L550-F581 HydrophobicContact CG-CB 4.17Å; L550-A592 HydrophobicContact CD1-CB 4.19Å; L550-A592 HydrophobicContact CD2-CB 4.12Å
551	I	92.7	Very high	93	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-39	176.1	-74.4	169	0	0	0	111.4	T507 R547 K548 N553 Y1414 R1416	T507-I551 VanDerWaalsContact O-CG2 3.27Å; T507-I551 WeakPolarHBondContact O-CG2 3.47Å; R547-I551 HydrophobicContact CG-CD1 4.03Å; R547-I551 WeakPolarHBondContact O-CB 3.43Å; R547-I551 VanDerWaalsContact O-CG1 3.29Å; R547-I551 WeakPolarHBondContact O-CG1 3.24Å; R547-I551 PolarHBondContact O-N 2.93Å; K548-I551 PolarHBondContact O-N 3.37Å; I551-N553 PolarHBondContact O-N 3.26Å; I551-Y1414 WeakPolarHBondContact CD1-O 3.45Å; I551-Y1414 HydrophobicContact CG2-CD1 4.16Å; I551-Y1414 HydrophobicContact CG2-CE1 3.84Å; I551-R1416 HydrophobicContact CG2-CB 3.61Å; I551-R1416 PolarHBondContact O-NE 3.46Å; I551-R1416 PolarHBondContact O-NH1 2.9Å; I551-R1416 PolarHBondContact O-NH2 3.39Å
552	D	91.3	Very high	93.2	Very high	60 Å²	60	46.5 Å²	46.5	32%	0.321	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-4.9	176.5	-74	-29.5	0	0	0	113	K548 K549 L550 A554 Y1414 R1416	K548-D552 WeakPolarHBondContact CE-OD2 3.43Å; K548-D552 VanDerWaalsContact CG-OD2 3.27Å; K548-D552 WeakPolarHBondContact CG-OD2 3.38Å; K548-D552 WeakPolarHBondContact O-CB 3.39Å; K548-D552 PolarHBondContact O-N 3.09Å; K549-D552 PolarHBondContact O-N 3.35Å; L550-D552 VanDerWaalsContact C-N 3.26Å; L550-D552 PolarHBondContact O-N 3.02Å; D552-A554 PolarHBondContact O-N 3.33Å; D552-Y1414 WeakPolarHBondContact OD1-CE1 3.5Å; D552-Y1414 PolarHBondContact OD1-OH 3.41Å; D552-R1416 PolarHBondContact O-NH1 3.16Å; D552-R1416 VanDerWaalsContact O-NH1 3.09Å
553	N	90.7	Very high	93.3	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.139	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	33	-174.1	-77.4	-26.1	0	0	0	113.8	K549 L550 I551 R583 D588 F589 R1416	K549-N553 PolarHBondContact O-N 3.27Å; L550-N553 WeakPolarHBondContact O-CA 3.44Å; L550-N553 PolarHBondContact O-N 3.11Å; L550-N553 PolarHBondContact O-OD1 2.89Å; I551-N553 PolarHBondContact O-N 3.26Å; N553-R583 HydrophobicContact CB-CB 3.97Å; N553-R583 HydrophobicContact CB-CG 4.02Å; N553-D588 PolarHBondContact ND2-O 3.22Å; N553-D588 PolarHBondContact OD1-O 2.94Å; N553-F589 PolarHBondContact OD1-O 2.79Å; N553-R1416 PolarHBondContact ND2-NH2 2.89Å
554	A	93.9	Very high	93.1	Very high	38 Å²	38	44.9 Å²	44.9	31%	0.314	23%	0.23	S	C	.	.			trans	-70.4	155.7	172.1	0	0	0	0	0	111.6	K549 D552	K549-A554 HydrophobicContact CB-CB 4.19Å; K549-A554 WeakPolarHBondContact O-CB 3.41Å; K549-A554 PolarHBondContact O-N 3.47Å; D552-A554 PolarHBondContact O-N 3.33Å
555	R	95.4	Very high	92.9	Very high	165 Å²	165	44.7 Å²	44.7	62%	0.623	22%	0.223	S	C	*	.			trans	-108.3	132.9	168	-179.6	179.7	175.2	-176.6	2.6	109.2	S69 F581	S69-R555 PolarHBondContact O-NH2 2.96Å; S69-R555 VanDerWaalsContact O-NH2 3.08Å; R555-F581 VanDerWaalsContact CA-O 3.31Å; R555-F581 WeakPolarHBondContact CA-O 3.29Å
556	G	95.5	Very high	92.7	Very high	21 Å²	21	40.9 Å²	40.9	22%	0.216	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	175.7	180	0	0	0	0	0	113.3	S580 F581	G556-S580 PolarHBondContact O-OG 3.33Å; G556-F581 PolarHBondContact N-O 3.02Å; G556-F581 WeakPolarHBondContact O-CD1 3.47Å; G556-F581 PolarHBondContact O-N 2.92Å
557	S	95.3	Very high	92.1	Very high	49 Å²	49	44.4 Å²	44.4	34%	0.343	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	124.4	176.4	-57.8	0	0	0	0	109.4	S69 Y579 S580	S69-S557 PolarHBondContact OG-OG 3.06Å; S557-Y579 CarbonylContact C-O 3.52Å; S557-Y579 VanDerWaalsContact CA-O 3.3Å; S557-Y579 WeakPolarHBondContact CA-O 3.27Å; S557-S580 WeakPolarHBondContact OG-CB 3.09Å; S557-S580 PolarHBondContact OG-OG 2.89Å
558	E	94.2	Very high	91.5	Very high	69 Å²	69	46.2 Å²	46.2	32%	0.322	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.1	-172.6	-62.5	-171.1	168.3	0	0	111.2	I546 K549 Y579 F581	I546-E558 HydrophobicContact CD1-CB 3.91Å; I546-E558 HydrophobicContact CD1-CG 4.32Å; I546-E558 WeakPolarHBondContact CD1-OE2 3.28Å; K549-E558 IonicContact NZ-OE1 2.7Å; K549-E558 PolarHBondContact NZ-OE1 2.68Å; K549-E558 IonicContact NZ-OE2 3.36Å; K549-E558 PolarHBondContact NZ-OE2 2.85Å; E558-Y579 PolarHBondContact N-O 3.32Å; E558-Y579 PolarHBondContact O-N 2.91Å; E558-F581 HydrophobicContact CB-CE1 4.42Å; E558-F581 HydrophobicContact CG-CE1 4.18Å; E558-F581 HydrophobicContact CG-CZ 4.28Å
559	Q	93.1	Very high	91	Very high	121 Å²	121	45.1 Å²	45.1	57%	0.565	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	118	177	178.2	176.4	6	0	0	109.4	P576 R577 T597	Q559-P576 HydrophobicContact CG-CB 4.45Å; Q559-R577 WeakPolarHBondContact CA-O 3.39Å; Q559-T597 HydrophobicContact CG-CG2 3.9Å
560	I	91.5	Very high	90.8	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.046	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.9	174.3	-48.5	179.2	0	0	0	109	K543 I546 D562 P576 R577 Y579	K543-I560 HydrophobicContact CG-CD1 3.89Å; K543-I560 HydrophobicContact CG-CG2 4.24Å; I546-I560 HydrophobicContact CB-CD1 4.46Å; I546-I560 HydrophobicContact CG1-CD1 3.56Å; I546-I560 HydrophobicContact CG1-CG1 4.22Å; I560-D562 HydrophobicContact CG2-CB 4.09Å; I560-P576 CarbonylContact O-C 3.58Å; I560-P576 WeakPolarHBondContact O-CA 3.48Å; I560-R577 PolarHBondContact N-O 2.88Å; I560-R577 PolarHBondContact O-N 3.33Å; I560-Y579 HydrophobicContact CB-CD2 4.1Å; I560-Y579 HydrophobicContact CB-CE2 3.93Å; I560-Y579 HydrophobicContact CD1-CD1 4.15Å; I560-Y579 HydrophobicContact CD1-CD2 3.34Å; I560-Y579 HydrophobicContact CD1-CE1 4.18Å; I560-Y579 HydrophobicContact CD1-CE2 3.36Å; I560-Y579 HydrophobicContact CD1-CG 3.77Å; I560-Y579 HydrophobicContact CG1-CD2 3.61Å; I560-Y579 HydrophobicContact CG1-CE2 3.84Å; I560-Y579 HydrophobicContact CG1-CG 4.33Å
561	I	89.2	Confident	90.6	Very high	69 Å²	69	43.6 Å²	43.6	35%	0.354	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.6	166.4	-58.6	174.1	0	0	0	106.5	Y540 V574 P576 T1335	Y540-I561 WeakPolarHBondContact CD2-O 3.49Å; I561-V574 HydrophobicContact CG2-CG1 3.58Å; I561-P576 HydrophobicContact CG1-CB 4.12Å; I561-T1335 HydrophobicContact CG2-CG2 4.29Å
562	D	90.7	Very high	90.6	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	179.3	179.3	-145.2	-43.2	0	0	0	109.5	N538 V539 Y540 I560 V574 K575	N538-D562 WeakPolarHBondContact CA-OD2 3.29Å; V539-D562 PolarHBondContact N-OD1 2.82Å; V539-D562 VanDerWaalsContact N-OD1 3.13Å; V539-D562 PolarHBondContact N-OD2 3.44Å; Y540-D562 HydrophobicContact CD2-CB 4.39Å; I560-D562 HydrophobicContact CG2-CB 4.09Å; D562-V574 WeakPolarHBondContact O-CA 3.39Å; D562-K575 PolarHBondContact O-N 2.97Å; D562-K575 VanDerWaalsContact O-N 3.12Å
563	F	91.5	Very high	90.5	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.3	174.1	-74.1	-93.6	0	0	0	112.3	F537 V539 Y540 T572 Y573 V574 L1231 Y1326	F537-F563 HydrophobicContact CB-CB 4.02Å; F537-F563 HydrophobicContact CD2-CB 3.75Å; F537-F563 HydrophobicContact CG-CB 4.2Å; V539-F563 HydrophobicContact CB-CD2 3.88Å; V539-F563 HydrophobicContact CB-CE2 4.15Å; V539-F563 HydrophobicContact CG1-CD2 4.34Å; V539-F563 HydrophobicContact CG1-CE2 4.11Å; V539-F563 HydrophobicContact CG2-CD2 3.51Å; V539-F563 HydrophobicContact CG2-CE2 4.03Å; V539-F563 HydrophobicContact CG2-CG 4.34Å; Y540-F563 HydrophobicContact CE2-CD2 4.13Å; Y540-F563 HydrophobicContact CE2-CE2 4.09Å; Y540-F563 AromaticContact CZ-CE2 3.91Å; Y540-F563 VanDerWaalsContact OH-CE2 3.23Å; Y540-F563 WeakPolarHBondContact OH-CE2 3.34Å; F563-T572 HydrophobicContact CD1-CG2 4.05Å; F563-T572 HydrophobicContact CE1-CG2 4.47Å; F563-Y573 WeakPolarHBondContact CA-O 3.42Å; F563-V574 HydrophobicContact CD1-CG2 3.83Å; F563-V574 HydrophobicContact CD2-CG2 3.96Å; F563-V574 HydrophobicContact CE1-CG2 3.6Å; F563-V574 HydrophobicContact CE2-CG2 3.75Å; F563-V574 HydrophobicContact CG-CG2 4.01Å; F563-V574 HydrophobicContact CZ-CG2 3.56Å; F563-L1231 HydrophobicContact CB-CD2 4.15Å; F563-L1231 HydrophobicContact CD1-CD2 4.11Å; F563-L1231 HydrophobicContact CD2-CD2 4.48Å; F563-L1231 HydrophobicContact CG-CD2 4.01Å; F563-Y1326 AromaticContact CE1-CD1 3.92Å; F563-Y1326 HydrophobicContact CE1-CD1 3.92Å; F563-Y1326 AromaticContact CE1-CD2 3.82Å; F563-Y1326 HydrophobicContact CE1-CD2 3.82Å; F563-Y1326 AromaticContact CE1-CE1 3.82Å; F563-Y1326 HydrophobicContact CE1-CE1 3.82Å; F563-Y1326 AromaticContact CE1-CE2 3.74Å; F563-Y1326 HydrophobicContact CE1-CE2 3.74Å; F563-Y1326 AromaticContact CE1-CG 3.92Å; F563-Y1326 HydrophobicContact CE1-CG 3.92Å; F563-Y1326 AromaticContact CE1-CZ 3.74Å; F563-Y1326 HydrophobicContact CZ-CD1 4.49Å; F563-Y1326 HydrophobicContact CZ-CD2 4.28Å; F563-Y1326 AromaticContact CZ-CE1 3.94Å; F563-Y1326 HydrophobicContact CZ-CE1 3.94Å; F563-Y1326 AromaticContact CZ-CE2 3.71Å; F563-Y1326 HydrophobicContact CZ-CE2 3.71Å; F563-Y1326 AromaticContact CZ-CZ 3.52Å
564	I	90	Very high	90.4	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.087	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.3	171.1	-55	-56.8	0	0	0	108.8	T572 Y573 K575 R577	I564-T572 WeakPolarHBondContact O-CA 3.46Å; I564-T572 WeakPolarHBondContact O-CB 3Å; I564-T572 PolarHBondContact O-OG1 2.85Å; I564-Y573 HydrophobicContact CB-CD2 4.49Å; I564-Y573 HydrophobicContact CB-CE2 4.11Å; I564-Y573 HydrophobicContact CG1-CD2 4.32Å; I564-Y573 HydrophobicContact CG1-CE2 3.91Å; I564-Y573 PolarHBondContact N-O 3.47Å; I564-K575 HydrophobicContact CD1-CB 4.22Å; I564-K575 HydrophobicContact CG1-CB 3.77Å; I564-R577 HydrophobicContact CD1-CG 3.86Å
565	K	89.1	Confident	90.1	Very high	64 Å²	64	39 Å²	39	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.7	169.1	-166.7	169.5	174.6	157.8	0	108.1	V535 F537 D1233	V535-K565 VanDerWaalsContact O-CD 3.26Å; V535-K565 WeakPolarHBondContact O-CD 3.04Å; F537-K565 HydrophobicContact CD2-CB 3.84Å; F537-K565 HydrophobicContact CD2-CG 4.49Å; F537-K565 HydrophobicContact CE2-CB 3.62Å; F537-K565 HydrophobicContact CE2-CD 4.41Å; F537-K565 HydrophobicContact CE2-CG 3.87Å; F537-K565 HydrophobicContact CZ-CB 4.28Å; F537-K565 HydrophobicContact CZ-CD 4.26Å; F537-K565 HydrophobicContact CZ-CG 4.04Å; K565-D1233 VanDerWaalsContact CE-OD1 3.25Å; K565-D1233 WeakPolarHBondContact CE-OD1 3.4Å; K565-D1233 VanDerWaalsContact CE-OD2 3.29Å; K565-D1233 WeakPolarHBondContact CE-OD2 3.39Å; K565-D1233 IonicContact NZ-OD1 3.48Å; K565-D1233 PolarHBondContact NZ-OD1 2.66Å; K565-D1233 IonicContact NZ-OD2 2.67Å
566	V	88	Confident	89.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-94.4	143.5	178.9	-174.2	0	0	0	0	109.1	D568 N569 H571 Y573 P989 R1324	V566-D568 PolarHBondContact O-N 3.29Å; V566-D568 VanDerWaalsContact O-N 3.09Å; V566-N569 PolarHBondContact O-N 3.39Å; V566-H571 HydrophobicContact CB-CB 4.19Å; V566-H571 WeakPolarHBondContact CB-O 3.34Å; V566-H571 HydrophobicContact CG1-CB 4.44Å; V566-H571 HydrophobicContact CG2-CB 4.07Å; V566-H571 WeakPolarHBondContact CG2-O 3.28Å; V566-Y573 HydrophobicContact CG2-CD1 4.39Å; V566-Y573 HydrophobicContact CG2-CE1 3.76Å; V566-P989 HydrophobicContact CG1-CB 3.68Å; V566-P989 HydrophobicContact CG1-CG 4.49Å; V566-R1324 PolarHBondContact O-NH1 3.32Å; V566-R1324 PolarHBondContact O-NH2 3.13Å
567	S	82.1	Confident	89.6	Confident	75 Å²	75	31.4 Å²	31.4	52%	0.524	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.5	-174.4	44.1	0	0	0	0	115.7	D987 P989	S567-D987 PolarHBondContact OG-O 2.69Å; S567-D987 VanDerWaalsContact OG-O 3.13Å; S567-P989 WeakPolarHBondContact OG-CG 3.45Å
568	D	83.2	Confident	89.6	Confident	45 Å²	45	30.6 Å²	30.6	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.7	179	55.7	27.4	0	0	0	115.5	V566 V570 H571 P989 R1324	V566-D568 PolarHBondContact O-N 3.29Å; V566-D568 VanDerWaalsContact O-N 3.09Å; D568-V570 PolarHBondContact O-N 3.39Å; D568-V570 VanDerWaalsContact O-N 3.11Å; D568-V570 PolarHBondContact OD1-N 3.24Å; D568-H571 PolarHBondContact OD1-N 2.62Å; D568-H571 IonicContact OD1-ND1 3.19Å; D568-H571 IonicContact OD2-CE1 2.84Å; D568-H571 IonicContact OD2-CG 2.68Å; D568-H571 IonicContact OD2-ND1 3.92Å; D568-H571 PolarHBondContact OD2-ND1 2.78Å; D568-P989 HydrophobicContact CB-CB 3.78Å; D568-P989 HydrophobicContact CB-CG 3.64Å; D568-P989 WeakPolarHBondContact OD2-CB 3.5Å; D568-R1324 IonicContact OD1-NH1 2.86Å
569	N	84.6	Confident	89.6	Confident	66 Å²	66	27.4 Å²	27.4	35%	0.353	15%	0.145	S	C	.	.	S	Bend	trans	58.2	15	-173.4	-66.5	-20.2	0	0	0	116	V566 I1322 R1324	V566-N569 PolarHBondContact O-N 3.39Å; N569-I1322 HydrophobicContact CB-CD1 4.16Å; N569-R1324 PolarHBondContact OD1-NH2 2.9Å
570	V	89.1	Confident	89.8	Confident	9 Å²	9	21.8 Å²	21.8	6%	0.055	12%	0.118	C	C	.	.	S	Bend	trans	-117.1	-49.7	179.3	173.2	0	0	0	0	111	D568 L1006 A1192	D568-V570 PolarHBondContact O-N 3.39Å; D568-V570 VanDerWaalsContact O-N 3.11Å; D568-V570 PolarHBondContact OD1-N 3.24Å; V570-L1006 HydrophobicContact CG1-CD1 4.43Å; V570-L1006 HydrophobicContact CG2-CD1 3.99Å; V570-A1192 HydrophobicContact CG1-CB 3.77Å
571	H	91.2	Very high	90	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.023	12%	0.117	C	C	.	.			trans	-91.8	147.3	-170.8	-62.7	95.1	0	0	0	112.7	V566 D568 R993 E1190 D1191 A1192 R1324	V566-H571 HydrophobicContact CB-CB 4.19Å; V566-H571 WeakPolarHBondContact CB-O 3.34Å; V566-H571 HydrophobicContact CG1-CB 4.44Å; V566-H571 HydrophobicContact CG2-CB 4.07Å; V566-H571 WeakPolarHBondContact CG2-O 3.28Å; D568-H571 PolarHBondContact OD1-N 2.62Å; D568-H571 IonicContact OD1-ND1 3.19Å; D568-H571 IonicContact OD2-CE1 2.84Å; D568-H571 IonicContact OD2-CG 2.68Å; D568-H571 IonicContact OD2-ND1 3.92Å; D568-H571 PolarHBondContact OD2-ND1 2.78Å; H571-R993 VanDerWaalsContact CD2-CZ 3.4Å; H571-R993 PolarHBondContact CD2-NH1 3.43Å; H571-R993 PolarHBondContact CE1-NH1 3.12Å; H571-R993 PolarHBondContact NE2-NH1 2.88Å; H571-E1190 IonicContact CE1-OE1 2.68Å; H571-E1190 VanDerWaalsContact NE2-CD 3.32Å; H571-E1190 IonicContact NE2-OE1 2.74Å; H571-E1190 PolarHBondContact NE2-OE1 3.06Å; H571-E1190 IonicContact NE2-OE2 3.83Å; H571-E1190 PolarHBondContact NE2-OE2 2.99Å; H571-D1191 IonicContact CD2-OD1 2.66Å; H571-D1191 PolarHBondContact CD2-OD1 2.82Å; H571-D1191 VanDerWaalsContact CD2-OD1 3.23Å; H571-D1191 IonicContact NE2-OD1 3.42Å; H571-A1192 WeakPolarHBondContact CD2-CB 3.43Å; H571-R1324 PolarHBondContact O-NH1 2.98Å
572	T	92.2	Very high	90.4	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.037	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	152.4	162.6	-169.2	0	0	0	0	109.9	F563 I564 L1231 R1324 Y1326	F563-T572 HydrophobicContact CD1-CG2 4.05Å; F563-T572 HydrophobicContact CE1-CG2 4.47Å; I564-T572 WeakPolarHBondContact O-CA 3.46Å; I564-T572 WeakPolarHBondContact O-CB 3Å; I564-T572 PolarHBondContact O-OG1 2.85Å; T572-L1231 HydrophobicContact CG2-CD2 4.12Å; T572-R1324 HydrophobicContact CG2-CB 3.83Å; T572-Y1326 HydrophobicContact CG2-CD1 4.05Å; T572-Y1326 HydrophobicContact CG2-CG 4.31Å; T572-Y1326 WeakPolarHBondContact O-CB 3.4Å
573	Y	90.1	Very high	90.6	Very high	12 Å²	12	23.8 Å²	23.8	5%	0.047	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	155.3	179.7	53.2	-92	0	0	0	110	F563 I564 V566 K575 R993 D996 Y1333	F563-Y573 WeakPolarHBondContact CA-O 3.42Å; I564-Y573 HydrophobicContact CB-CD2 4.49Å; I564-Y573 HydrophobicContact CB-CE2 4.11Å; I564-Y573 HydrophobicContact CG1-CD2 4.32Å; I564-Y573 HydrophobicContact CG1-CE2 3.91Å; I564-Y573 PolarHBondContact N-O 3.47Å; V566-Y573 HydrophobicContact CG2-CD1 4.39Å; V566-Y573 HydrophobicContact CG2-CE1 3.76Å; Y573-K575 HydrophobicContact CD2-CB 4.14Å; Y573-K575 HydrophobicContact CE2-CB 4.04Å; Y573-R993 HydrophobicContact CE1-CG 3.88Å; Y573-D996 HydrophobicContact CE2-CB 3.76Å; Y573-D996 WeakPolarHBondContact CE2-OD2 3.3Å; Y573-D996 PolarHBondContact OH-OD2 3.31Å; Y573-Y1333 HydrophobicContact CD1-CE1 4.21Å; Y573-Y1333 HydrophobicContact CD1-CE2 4.14Å; Y573-Y1333 AromaticContact CD1-CZ 3.89Å; Y573-Y1333 AromaticContact CD2-CD1 3.6Å; Y573-Y1333 HydrophobicContact CD2-CD1 3.6Å; Y573-Y1333 HydrophobicContact CD2-CD2 4.03Å; Y573-Y1333 AromaticContact CD2-CE1 3.85Å; Y573-Y1333 HydrophobicContact CD2-CE1 3.85Å; Y573-Y1333 HydrophobicContact CD2-CE2 4.25Å; Y573-Y1333 AromaticContact CD2-CG 3.7Å; Y573-Y1333 HydrophobicContact CD2-CG 3.7Å; Y573-Y1333 HydrophobicContact CE1-CE1 4.22Å; Y573-Y1333 AromaticContact CE2-CD1 3.78Å; Y573-Y1333 HydrophobicContact CE2-CD1 3.78Å; Y573-Y1333 AromaticContact CE2-CE1 3.86Å; Y573-Y1333 HydrophobicContact CE2-CE1 3.86Å; Y573-Y1333 HydrophobicContact CE2-CG 4.34Å; Y573-Y1333 HydrophobicContact CG-CD1 4.13Å; Y573-Y1333 AromaticContact CG-CD2 3.9Å; Y573-Y1333 HydrophobicContact CG-CD2 3.9Å; Y573-Y1333 HydrophobicContact CG-CE1 4.04Å; Y573-Y1333 AromaticContact CG-CE2 3.8Å; Y573-Y1333 HydrophobicContact CG-CE2 3.8Å; Y573-Y1333 HydrophobicContact CG-CG 4.07Å; Y573-Y1333 AromaticContact CG-CZ 3.88Å
574	V	88.3	Confident	90.6	Very high	11 Å²	11	23.8 Å²	23.8	7%	0.067	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.1	179.1	-170.1	0	0	0	0	110.3	Y540 I561 D562 F563 T1335	Y540-V574 HydrophobicContact CE2-CG1 4.46Å; I561-V574 HydrophobicContact CG2-CG1 3.58Å; D562-V574 WeakPolarHBondContact O-CA 3.39Å; F563-V574 HydrophobicContact CD1-CG2 3.83Å; F563-V574 HydrophobicContact CD2-CG2 3.96Å; F563-V574 HydrophobicContact CE1-CG2 3.6Å; F563-V574 HydrophobicContact CE2-CG2 3.75Å; F563-V574 HydrophobicContact CG-CG2 4.01Å; F563-V574 HydrophobicContact CZ-CG2 3.56Å; V574-T1335 HydrophobicContact CB-CG2 4.13Å; V574-T1335 HydrophobicContact CG1-CG2 3.94Å; V574-T1335 VanDerWaalsContact O-CG2 3.24Å; V574-T1335 WeakPolarHBondContact O-CG2 3.06Å
575	K	87.9	Confident	90.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.8	-179.6	-176.5	78.4	-173.1	179.9	0	111.3	D562 I564 Y573 D598 D996	D562-K575 PolarHBondContact O-N 2.97Å; D562-K575 VanDerWaalsContact O-N 3.12Å; I564-K575 HydrophobicContact CD1-CB 4.22Å; I564-K575 HydrophobicContact CG1-CB 3.77Å; Y573-K575 HydrophobicContact CD2-CB 4.14Å; Y573-K575 HydrophobicContact CE2-CB 4.04Å; K575-D598 WeakPolarHBondContact CE-OD1 3.29Å; K575-D598 IonicContact NZ-OD1 2.85Å; K575-D598 PolarHBondContact NZ-OD1 3.33Å; K575-D598 IonicContact NZ-OD2 2.9Å; K575-D996 HydrophobicContact CD-CB 4.06Å; K575-D996 HydrophobicContact CG-CB 4.44Å; K575-D996 PolarHBondContact NZ-O 3.28Å
576	P	89.5	Confident	90.4	Very high	20 Å²	20	25.9 Å²	25.9	13%	0.13	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.1	169.6	25.9	-34.6	0	0	0	112.4	Q559 I560 I561 T597	Q559-P576 HydrophobicContact CG-CB 4.45Å; I560-P576 CarbonylContact O-C 3.58Å; I560-P576 WeakPolarHBondContact O-CA 3.48Å; I561-P576 HydrophobicContact CG1-CB 4.12Å; P576-T597 HydrophobicContact CB-CG2 4.11Å
577	R	91.8	Very high	90.4	Very high	6 Å²	6	25.8 Å²	25.8	2%	0.023	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.6	173.6	-65.3	-58.5	-173	131	-11.2	110.3	T499 Q559 I560 I564 Y579 V594 M595 D996	T499-R577 PolarHBondContact O-NH1 2.03Å; Q559-R577 WeakPolarHBondContact CA-O 3.39Å; I560-R577 PolarHBondContact N-O 2.88Å; I560-R577 PolarHBondContact O-N 3.33Å; I564-R577 HydrophobicContact CD1-CG 3.86Å; R577-Y579 HydrophobicContact CB-CD2 4.26Å; R577-Y579 HydrophobicContact CB-CE2 3.78Å; R577-V594 HydrophobicContact CB-CG1 4.01Å; R577-M595 WeakPolarHBondContact CA-O 3.24Å; R577-D996 IonicContact CZ-OD1 2.7Å; R577-D996 IonicContact CZ-OD2 3.63Å; R577-D996 IonicContact NE-OD2 2.95Å; R577-D996 VanDerWaalsContact NH2-CG 3.27Å; R577-D996 IonicContact NH2-OD1 3.34Å; R577-D996 PolarHBondContact NH2-OD1 3.44Å; R577-D996 IonicContact NH2-OD2 3.79Å; R577-D996 PolarHBondContact NH2-OD2 2.74Å
578	L	93.7	Very high	90.6	Very high	31 Å²	31	23.5 Å²	23.5	16%	0.162	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.2	172.3	-179.1	64.5	0	0	0	108.5	L68 V594 M595 T597	L68-L578 HydrophobicContact CD2-CB 4.42Å; L68-L578 HydrophobicContact CD2-CD2 3.9Å; L68-L578 HydrophobicContact CD2-CG 3.9Å; L578-V594 WeakPolarHBondContact O-CA 3.03Å; L578-M595 HydrophobicContact CB-CG 4.44Å; L578-M595 PolarHBondContact N-O 3.38Å; L578-M595 PolarHBondContact O-N 2.87Å; L578-T597 HydrophobicContact CB-CG2 4.13Å
579	Y	95.7	Very high	90.9	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.4	171.2	-70.4	-114	0	0	0	107.8	F503 F532 E536 K543 I546 S557 E558 I560 R577 F593 V594	F503-Y579 HydrophobicContact CE1-CD1 4.11Å; F503-Y579 HydrophobicContact CE1-CE1 4.01Å; F503-Y579 HydrophobicContact CZ-CD1 4.4Å; F503-Y579 HydrophobicContact CZ-CE1 4.39Å; F532-Y579 HydrophobicContact CE2-CE1 4.22Å; F532-Y579 AromaticContact CZ-CE1 3.99Å; F532-Y579 HydrophobicContact CZ-CE1 3.99Å; E536-Y579 PolarHBondContact OE2-OH 3.34Å; K543-Y579 WeakPolarHBondContact CE-OH 3.4Å; K543-Y579 PolarHBondContact NZ-OH 3.42Å; I546-Y579 HydrophobicContact CG2-CD1 4.5Å; S557-Y579 CarbonylContact C-O 3.52Å; S557-Y579 VanDerWaalsContact CA-O 3.3Å; S557-Y579 WeakPolarHBondContact CA-O 3.27Å; E558-Y579 PolarHBondContact N-O 3.32Å; E558-Y579 PolarHBondContact O-N 2.91Å; I560-Y579 HydrophobicContact CB-CD2 4.1Å; I560-Y579 HydrophobicContact CB-CE2 3.93Å; I560-Y579 HydrophobicContact CD1-CD1 4.15Å; I560-Y579 HydrophobicContact CD1-CD2 3.34Å; I560-Y579 HydrophobicContact CD1-CE1 4.18Å; I560-Y579 HydrophobicContact CD1-CE2 3.36Å; I560-Y579 HydrophobicContact CD1-CG 3.77Å; I560-Y579 HydrophobicContact CG1-CD2 3.61Å; I560-Y579 HydrophobicContact CG1-CE2 3.84Å; I560-Y579 HydrophobicContact CG1-CG 4.33Å; R577-Y579 HydrophobicContact CB-CD2 4.26Å; R577-Y579 HydrophobicContact CB-CE2 3.78Å; Y579-F593 WeakPolarHBondContact CA-O 3.42Å; Y579-V594 HydrophobicContact CD1-CB 4.41Å; Y579-V594 HydrophobicContact CD1-CG1 4.18Å; Y579-V594 HydrophobicContact CD1-CG2 3.42Å; Y579-V594 VanDerWaalsContact CD1-CG2 3.42Å; Y579-V594 HydrophobicContact CD2-CG1 3.95Å; Y579-V594 HydrophobicContact CE1-CB 4.42Å; Y579-V594 HydrophobicContact CE1-CG1 3.98Å; Y579-V594 HydrophobicContact CE1-CG2 3.5Å; Y579-V594 HydrophobicContact CE2-CG1 3.74Å; Y579-V594 HydrophobicContact CG-CG1 4.16Å; Y579-V594 HydrophobicContact CG-CG2 4.02Å
580	S	96.4	Very high	91.4	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.5	168.5	-169.5	0	0	0	0	109.8	S69 G556 S557 A592 F593	S69-S580 WeakPolarHBondContact CA-OG 3.16Å; G556-S580 PolarHBondContact O-OG 3.33Å; S557-S580 WeakPolarHBondContact OG-CB 3.09Å; S557-S580 PolarHBondContact OG-OG 2.89Å; S580-A592 CarbonylContact O-C 3.57Å; S580-A592 VanDerWaalsContact O-CA 3.26Å; S580-A592 WeakPolarHBondContact O-CA 3.47Å; S580-F593 PolarHBondContact N-O 3Å; S580-F593 PolarHBondContact O-N 3.18Å
581	F	96.7	Very high	91.7	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.009	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.5	-168	50.4	-89.7	0	0	0	112.6	I546 K549 L550 R555 G556 E558 V591 A592	I546-F581 HydrophobicContact CD1-CE1 3.87Å; I546-F581 HydrophobicContact CD1-CZ 4.35Å; I546-F581 HydrophobicContact CG2-CD1 4.22Å; I546-F581 HydrophobicContact CG2-CE1 4.46Å; K549-F581 HydrophobicContact CB-CD2 4.32Å; K549-F581 HydrophobicContact CB-CE2 3.72Å; K549-F581 HydrophobicContact CB-CZ 4.19Å; K549-F581 HydrophobicContact CD-CE2 4.15Å; K549-F581 HydrophobicContact CD-CZ 3.86Å; K549-F581 HydrophobicContact CG-CE2 4.44Å; L550-F581 HydrophobicContact CD2-CB 3.7Å; L550-F581 HydrophobicContact CG-CB 4.17Å; R555-F581 VanDerWaalsContact CA-O 3.31Å; R555-F581 WeakPolarHBondContact CA-O 3.29Å; G556-F581 PolarHBondContact N-O 3.02Å; G556-F581 WeakPolarHBondContact O-CD1 3.47Å; G556-F581 PolarHBondContact O-N 2.92Å; E558-F581 HydrophobicContact CB-CE1 4.42Å; E558-F581 HydrophobicContact CG-CE1 4.18Å; E558-F581 HydrophobicContact CG-CZ 4.28Å; F581-V591 VanDerWaalsContact CA-O 3.23Å; F581-V591 WeakPolarHBondContact CA-O 3.35Å; F581-A592 HydrophobicContact CB-CB 4.16Å
582	T	96.7	Very high	91.9	Very high	14 Å²	14	18.1 Å²	18.1	9%	0.086	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	168.9	177.1	-172.4	0	0	0	0	110.5	V72 V73 A76 V591	V72-T582 HydrophobicContact CG1-CG2 4.14Å; V72-T582 HydrophobicContact CG2-CG2 4.16Å; V73-T582 HydrophobicContact CG2-CG2 4.04Å; A76-T582 HydrophobicContact CB-CG2 3.89Å; T582-V591 HydrophobicContact CG2-CG1 3.63Å; T582-V591 PolarHBondContact N-O 3.34Å; T582-V591 WeakPolarHBondContact O-CG1 3.45Å; T582-V591 PolarHBondContact O-N 2.97Å
583	R	95	Very high	92	Very high	108 Å²	108	17.9 Å²	17.9	41%	0.408	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.9	164.6	-174.5	178.2	-174.7	167.3	8.7	110.4	N553 S585 T587 D588	N553-R583 HydrophobicContact CB-CB 3.97Å; N553-R583 HydrophobicContact CB-CG 4.02Å; R583-S585 PolarHBondContact O-N 2.99Å; R583-T587 PolarHBondContact NE-O 3.09Å; R583-T587 PolarHBondContact NH2-O 3.47Å; R583-D588 IonicContact NH2-OD1 3.8Å; R583-D588 PolarHBondContact NH2-OD1 3.05Å
584	L	91.7	Very high	92.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.			trans	-74.2	114	165.8	175.4	62.6	0	0	0	109.2	A76 I79 I83 M487 V504 T587 F589 V591	A76-L584 HydrophobicContact CB-CD1 4.38Å; I79-L584 HydrophobicContact CB-CD1 3.96Å; I79-L584 HydrophobicContact CG2-CD1 3.95Å; I83-L584 HydrophobicContact CD1-CD2 4.29Å; M487-L584 HydrophobicContact CE-CD2 3.97Å; V504-L584 HydrophobicContact CG1-CD2 4.45Å; L584-T587 WeakPolarHBondContact CB-OG1 3.47Å; L584-T587 HydrophobicContact CD2-CG2 4.03Å; L584-T587 HydrophobicContact CG-CG2 4.04Å; L584-T587 PolarHBondContact O-N 2.75Å; L584-T587 VanDerWaalsContact O-N 3.07Å; L584-T587 PolarHBondContact O-OG1 2.72Å; L584-F589 HydrophobicContact CB-CB 4.33Å; L584-F589 WeakPolarHBondContact CB-O 3.49Å; L584-F589 HydrophobicContact CD2-CB 4.3Å; L584-F589 HydrophobicContact CD2-CD2 4.18Å; L584-F589 PolarHBondContact N-O 2.95Å; L584-V591 HydrophobicContact CB-CG1 4.33Å
585	S	89.5	Confident	92.4	Very high	37 Å²	37	16.8 Å²	16.8	26%	0.259	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	142.7	-169.3	-65.4	0	0	0	0	113.1	A76 G80 R583 T587	A76-S585 WeakPolarHBondContact O-CB 3.3Å; A76-S585 PolarHBondContact O-N 3.05Å; G80-S585 WeakPolarHBondContact CA-O 3.4Å; R583-S585 PolarHBondContact O-N 2.99Å; S585-T587 PolarHBondContact O-N 3.32Å; S585-T587 VanDerWaalsContact O-N 3.12Å
586	N	86	Confident	92.4	Very high	88 Å²	88	16.8 Å²	16.8	47%	0.471	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	0.3	-172.7	-56	-52.6	0	0	0	116.6	G80	G80-N586 PolarHBondContact O-ND2 3.26Å
587	T	86.7	Confident	92.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-114.8	176.2	176	78.5	0	0	0	0	112	I83 L440 R583 L584 S585 F589	I83-T587 HydrophobicContact CD1-CG2 3.6Å; I83-T587 HydrophobicContact CG2-CG2 4.1Å; L440-T587 HydrophobicContact CD1-CG2 4.4Å; L440-T587 HydrophobicContact CD2-CG2 3.84Å; R583-T587 PolarHBondContact NE-O 3.09Å; R583-T587 PolarHBondContact NH2-O 3.47Å; L584-T587 WeakPolarHBondContact CB-OG1 3.47Å; L584-T587 HydrophobicContact CD2-CG2 4.03Å; L584-T587 HydrophobicContact CG-CG2 4.04Å; L584-T587 PolarHBondContact O-N 2.75Å; L584-T587 VanDerWaalsContact O-N 3.07Å; L584-T587 PolarHBondContact O-OG1 2.72Å; S585-T587 PolarHBondContact O-N 3.32Å; S585-T587 VanDerWaalsContact O-N 3.12Å; T587-F589 PolarHBondContact OG1-N 2.67Å; T587-F589 VanDerWaalsContact OG1-N 3.11Å
588	D	86.3	Confident	91.8	Very high	26 Å²	26	19.4 Å²	19.4	14%	0.139	10%	0.1	C	C	.	.	S	Bend	trans	-96.5	4.2	168.9	-64.2	-26.9	0	0	0	113.2	T507 N553 R583 S1418 K1420	T507-D588 HydrophobicContact CG2-CB 3.75Å; T507-D588 VanDerWaalsContact CG2-O 3.3Å; T507-D588 WeakPolarHBondContact CG2-O 3.19Å; N553-D588 PolarHBondContact ND2-O 3.22Å; N553-D588 PolarHBondContact OD1-O 2.94Å; R583-D588 IonicContact NH2-OD1 3.8Å; R583-D588 PolarHBondContact NH2-OD1 3.05Å; D588-S1418 PolarHBondContact OD2-OG 2.88Å; D588-K1420 WeakPolarHBondContact OD2-CE 3.44Å; D588-K1420 IonicContact OD2-NZ 2.72Å; D588-K1420 PolarHBondContact OD2-NZ 3.43Å
589	F	90.9	Very high	91.1	Very high	12 Å²	12	18.2 Å²	18.2	5%	0.053	9%	0.093	C	C	.	.			trans	-82.5	146.9	-175.9	-57.3	-17.4	0	0	0	112.2	L440 V459 V504 V505 N506 V512 N553 L584 T587	L440-F589 HydrophobicContact CB-CE1 4.26Å; L440-F589 HydrophobicContact CB-CE2 4.01Å; L440-F589 HydrophobicContact CB-CZ 3.54Å; L440-F589 HydrophobicContact CD2-CE2 4.43Å; L440-F589 WeakPolarHBondContact O-CZ 3.36Å; V459-F589 HydrophobicContact CG1-CE2 4.08Å; V504-F589 HydrophobicContact CG1-CB 3.79Å; V504-F589 HydrophobicContact CG1-CD2 3.99Å; V504-F589 HydrophobicContact CG1-CG 4.23Å; V505-F589 VanDerWaalsContact O-CA 3.3Å; V505-F589 WeakPolarHBondContact O-CA 2.99Å; V505-F589 WeakPolarHBondContact O-CB 3.29Å; N506-F589 HydrophobicContact CB-CD1 3.91Å; N506-F589 HydrophobicContact CB-CE1 3.82Å; V512-F589 HydrophobicContact CG2-CD2 4.08Å; V512-F589 HydrophobicContact CG2-CE2 4Å; V512-F589 HydrophobicContact CG2-CG 4.49Å; V512-F589 HydrophobicContact CG2-CZ 4.33Å; N553-F589 PolarHBondContact OD1-O 2.79Å; L584-F589 HydrophobicContact CB-CB 4.33Å; L584-F589 WeakPolarHBondContact CB-O 3.49Å; L584-F589 HydrophobicContact CD2-CB 4.3Å; L584-F589 HydrophobicContact CD2-CD2 4.18Å; L584-F589 PolarHBondContact N-O 2.95Å; T587-F589 PolarHBondContact OG1-N 2.67Å; T587-F589 VanDerWaalsContact OG1-N 3.11Å
590	G	93.5	Very high	90.4	Very high	1 Å²	1	21 Å²	21	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.7	167.8	0	0	0	0	0	110.4	V504 V505	V504-G590 CarbonylContact C-O 3.34Å; V504-G590 WeakPolarHBondContact CA-O 3.3Å; V505-G590 PolarHBondContact N-O 2.7Å; V505-G590 PolarHBondContact O-N 3.21Å
591	V	95.2	Very high	89.9	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.4	172	56.8	0	0	0	0	109.8	V72 Y75 A76 V504 F581 T582 L584 F593	V72-V591 HydrophobicContact CG2-CG1 4.18Å; V72-V591 HydrophobicContact CG2-CG2 4.22Å; Y75-V591 HydrophobicContact CD1-CG2 4.08Å; Y75-V591 HydrophobicContact CE1-CG2 3.96Å; A76-V591 HydrophobicContact CB-CG1 4.06Å; V504-V591 HydrophobicContact CG2-CB 3.92Å; V504-V591 HydrophobicContact CG2-CG2 3.83Å; F581-V591 VanDerWaalsContact CA-O 3.23Å; F581-V591 WeakPolarHBondContact CA-O 3.35Å; T582-V591 HydrophobicContact CG2-CG1 3.63Å; T582-V591 PolarHBondContact N-O 3.34Å; T582-V591 WeakPolarHBondContact O-CG1 3.45Å; T582-V591 PolarHBondContact O-N 2.97Å; L584-V591 HydrophobicContact CB-CG1 4.33Å; V591-F593 HydrophobicContact CG2-CD1 4.38Å; V591-F593 HydrophobicContact CG2-CE1 4.24Å
592	A	96	Very high	89.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.7	173.6	0	0	0	0	0	111.3	A502 F503 L550 S580 F581	A502-A592 CarbonylContact C-O 3.44Å; A502-A592 VanDerWaalsContact CA-O 3.3Å; A502-A592 WeakPolarHBondContact CA-O 3.28Å; F503-A592 HydrophobicContact CD1-CB 4.05Å; F503-A592 HydrophobicContact CD2-CB 4.47Å; F503-A592 HydrophobicContact CE1-CB 3.58Å; F503-A592 HydrophobicContact CE2-CB 4.05Å; F503-A592 HydrophobicContact CG-CB 4.48Å; F503-A592 HydrophobicContact CZ-CB 3.58Å; F503-A592 PolarHBondContact N-O 3.33Å; F503-A592 PolarHBondContact O-N 2.86Å; L550-A592 HydrophobicContact CD1-CB 4.19Å; L550-A592 HydrophobicContact CD2-CB 4.12Å; S580-A592 CarbonylContact O-C 3.57Å; S580-A592 VanDerWaalsContact O-CA 3.26Å; S580-A592 WeakPolarHBondContact O-CA 3.47Å; F581-A592 HydrophobicContact CB-CB 4.16Å
593	F	95.4	Very high	89	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.3	163.5	-70.5	6.3	0	0	0	109	L68 E71 V72 Y75 L491 P492 L496 Y501 A502 Y579 S580 V591	L68-F593 HydrophobicContact CD1-CB 3.61Å; L68-F593 HydrophobicContact CD1-CD2 4.14Å; L68-F593 HydrophobicContact CD1-CG 4.43Å; L68-F593 HydrophobicContact CG-CB 4.1Å; E71-F593 HydrophobicContact CG-CE2 4.23Å; V72-F593 HydrophobicContact CB-CB 4.4Å; V72-F593 HydrophobicContact CB-CD1 4.3Å; V72-F593 HydrophobicContact CB-CD2 3.96Å; V72-F593 HydrophobicContact CB-CE2 4.34Å; V72-F593 HydrophobicContact CB-CG 3.96Å; V72-F593 HydrophobicContact CG2-CB 4.26Å; V72-F593 HydrophobicContact CG2-CD1 3.71Å; V72-F593 HydrophobicContact CG2-CD2 4.27Å; V72-F593 HydrophobicContact CG2-CE1 4.11Å; V72-F593 HydrophobicContact CG2-CG 3.8Å; Y75-F593 AromaticContact CD1-CE1 3.8Å; Y75-F593 HydrophobicContact CD1-CE1 3.8Å; Y75-F593 AromaticContact CD1-CZ 3.89Å; Y75-F593 HydrophobicContact CD1-CZ 3.89Å; Y75-F593 HydrophobicContact CD2-CZ 4.13Å; Y75-F593 HydrophobicContact CE1-CE1 4.23Å; Y75-F593 HydrophobicContact CG-CE1 4.02Å; Y75-F593 AromaticContact CG-CZ 3.62Å; Y75-F593 HydrophobicContact CG-CZ 3.62Å; L491-F593 HydrophobicContact CD2-CE1 3.53Å; L491-F593 HydrophobicContact CD2-CZ 3.61Å; P492-F593 HydrophobicContact CG-CE2 4.35Å; L496-F593 HydrophobicContact CD2-CB 4.39Å; L496-F593 HydrophobicContact CD2-CD2 3.95Å; L496-F593 HydrophobicContact CD2-CG 4.31Å; Y501-F593 CarbonylContact O-C 3.57Å; Y501-F593 WeakPolarHBondContact O-CA 3.46Å; A502-F593 HydrophobicContact CB-CD1 3.36Å; A502-F593 HydrophobicContact CB-CE1 3.5Å; A502-F593 HydrophobicContact CB-CG 4.33Å; Y579-F593 WeakPolarHBondContact CA-O 3.42Å; S580-F593 PolarHBondContact N-O 3Å; S580-F593 PolarHBondContact O-N 3.18Å; V591-F593 HydrophobicContact CG2-CD1 4.38Å; V591-F593 HydrophobicContact CG2-CE1 4.24Å
594	V	93.9	Very high	88.6	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.9	-175.4	-168.6	0	0	0	0	110	G500 Y501 F503 R577 L578 Y579	G500-V594 CarbonylContact C-O 3.54Å; G500-V594 WeakPolarHBondContact CA-O 3.27Å; Y501-V594 HydrophobicContact CD1-CB 4.08Å; Y501-V594 HydrophobicContact CD2-CB 4.33Å; Y501-V594 HydrophobicContact CD2-CG2 4.24Å; Y501-V594 HydrophobicContact CE1-CB 3.71Å; Y501-V594 HydrophobicContact CE1-CG1 3.81Å; Y501-V594 HydrophobicContact CE1-CG2 4.33Å; Y501-V594 HydrophobicContact CE2-CB 4Å; Y501-V594 HydrophobicContact CE2-CG2 3.73Å; Y501-V594 HydrophobicContact CG-CB 4.37Å; Y501-V594 PolarHBondContact N-O 3.41Å; Y501-V594 PolarHBondContact O-N 3.34Å; F503-V594 HydrophobicContact CD1-CG2 4.05Å; F503-V594 HydrophobicContact CE1-CG2 3.68Å; R577-V594 HydrophobicContact CB-CG1 4.01Å; L578-V594 WeakPolarHBondContact O-CA 3.03Å; Y579-V594 HydrophobicContact CD1-CB 4.41Å; Y579-V594 HydrophobicContact CD1-CG1 4.18Å; Y579-V594 HydrophobicContact CD1-CG2 3.42Å; Y579-V594 VanDerWaalsContact CD1-CG2 3.42Å; Y579-V594 HydrophobicContact CD2-CG1 3.95Å; Y579-V594 HydrophobicContact CE1-CB 4.42Å; Y579-V594 HydrophobicContact CE1-CG1 3.98Å; Y579-V594 HydrophobicContact CE1-CG2 3.5Å; Y579-V594 HydrophobicContact CE2-CG1 3.74Å; Y579-V594 HydrophobicContact CG-CG1 4.16Å; Y579-V594 HydrophobicContact CG-CG2 4.02Å
595	M	91.5	Very high	88.1	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	163.2	177.5	83.1	-171.3	-40.4	0	0	113.6	F66 L68 R577 L578 Q599 Q600	F66-M595 HydrophobicContact CD1-CE 3.56Å; F66-M595 HydrophobicContact CD1-SD 4.1Å; F66-M595 HydrophobicContact CE1-CE 4.23Å; F66-M595 HydrophobicContact CG-CE 4.45Å; L68-M595 HydrophobicContact CB-SD 4.15Å; L68-M595 HydrophobicContact CD1-CG 4.45Å; L68-M595 HydrophobicContact CD1-SD 3.84Å; L68-M595 HydrophobicContact CD2-CG 4.07Å; L68-M595 HydrophobicContact CD2-SD 4.02Å; L68-M595 HydrophobicContact CG-SD 4.23Å; R577-M595 WeakPolarHBondContact CA-O 3.24Å; L578-M595 HydrophobicContact CB-CG 4.44Å; L578-M595 PolarHBondContact N-O 3.38Å; L578-M595 PolarHBondContact O-N 2.87Å; M595-Q599 VanDerWaalsContact CE-O 3.27Å; M595-Q599 WeakPolarHBondContact CE-O 3.27Å; M595-Q600 HydrophobicContact SD-CG 4.08Å
596	P	88.6	Confident	87.2	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.4	172.2	-14	28.2	0	0	0	110.8	Y497 T499 D598 Q599	Y497-P596 HydrophobicContact CD1-CG 4.12Å; Y497-P596 HydrophobicContact CE1-CG 4.13Å; T499-P596 VanDerWaalsContact OG1-CG 3.31Å; T499-P596 WeakPolarHBondContact OG1-CG 3.49Å; P596-D598 PolarHBondContact O-N 2.76Å; P596-Q599 HydrophobicContact CB-CB 4.27Å; P596-Q599 HydrophobicContact CG-CB 4.4Å; P596-Q599 PolarHBondContact O-N 2.73Å; P596-Q599 VanDerWaalsContact O-N 3.13Å
597	T	87.1	Confident	86.1	Confident	33 Å²	33	21.7 Å²	21.7	20%	0.202	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27	-179.7	53.8	0	0	0	0	113	Q559 P576 L578 Q600	Q559-T597 HydrophobicContact CG-CG2 3.9Å; P576-T597 HydrophobicContact CB-CG2 4.11Å; L578-T597 HydrophobicContact CB-CG2 4.13Å; T597-Q600 PolarHBondContact O-NE2 3.18Å
598	D	82.5	Confident	84.6	Confident	48 Å²	48	26.4 Å²	26.4	26%	0.257	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.6	179.3	62.5	-63.7	0	0	0	114.6	K575 P596 K1154	K575-D598 WeakPolarHBondContact CE-OD1 3.29Å; K575-D598 IonicContact NZ-OD1 2.85Å; K575-D598 PolarHBondContact NZ-OD1 3.33Å; K575-D598 IonicContact NZ-OD2 2.9Å; P596-D598 PolarHBondContact O-N 2.76Å; D598-K1154 IonicContact OD2-NZ 3.31Å; D598-K1154 PolarHBondContact OD2-NZ 3.1Å
599	Q	78.1	Confident	83.5	Confident	7 Å²	7	26.2 Å²	26.2	3%	0.033	14%	0.143	C	C	.	.			trans	-135.4	91.8	176.3	-71.3	-65.5	-80.4	0	0	110.9	Y497 M595 P596 D1152 K1154	Y497-Q599 HydrophobicContact CD2-CB 4.37Å; Y497-Q599 HydrophobicContact CE1-CB 4.42Å; Y497-Q599 HydrophobicContact CE1-CG 4.37Å; Y497-Q599 HydrophobicContact CE2-CB 4.22Å; Y497-Q599 HydrophobicContact CE2-CG 4.01Å; M595-Q599 VanDerWaalsContact CE-O 3.27Å; M595-Q599 WeakPolarHBondContact CE-O 3.27Å; P596-Q599 HydrophobicContact CB-CB 4.27Å; P596-Q599 HydrophobicContact CG-CB 4.4Å; P596-Q599 PolarHBondContact O-N 2.73Å; P596-Q599 VanDerWaalsContact O-N 3.13Å; Q599-D1152 PolarHBondContact NE2-O 3.48Å; Q599-D1152 VanDerWaalsContact NE2-O 3.09Å; Q599-K1154 HydrophobicContact CG-CD 3.83Å; Q599-K1154 HydrophobicContact CG-CG 4.37Å; Q599-K1154 VanDerWaalsContact OE1-CB 3.27Å
600	Q	80.5	Confident	82.2	Confident	60 Å²	60	33.4 Å²	33.4	28%	0.28	17%	0.174	S	C	.	.			trans	-122.9	31.5	179.1	-57.5	176.4	36.1	0	0	111.2	Q65 F66 M595 T597	Q65-Q600 CarbonylContact C-O 3.47Å; Q65-Q600 WeakPolarHBondContact CA-O 3.33Å; F66-Q600 PolarHBondContact N-O 3.04Å; M595-Q600 HydrophobicContact SD-CG 4.08Å; T597-Q600 PolarHBondContact O-NE2 3.18Å
601	L	87	Confident	81	Confident	26 Å²	26	33.5 Å²	33.5	14%	0.136	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.4	-174.2	-69.3	166	0	0	0	110.1	E64 N1151 Y1153	E64-L601 VanDerWaalsContact O-CA 3.32Å; E64-L601 WeakPolarHBondContact O-CA 3.46Å; L601-N1151 HydrophobicContact CD1-CB 3.74Å; L601-N1151 HydrophobicContact CD2-CB 4.24Å; L601-Y1153 HydrophobicContact CB-CD2 4.45Å; L601-Y1153 WeakPolarHBondContact O-CD2 3.39Å
602	F	86.8	Confident	79.9	Confident	19 Å²	19	40.2 Å²	40.2	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	163.1	175.2	74.1	-79.3	0	0	0	111.1	L63 E64 F66 K495 S604	L63-F602 WeakPolarHBondContact CA-O 3.37Å; E64-F602 HydrophobicContact CB-CD1 4.23Å; E64-F602 HydrophobicContact CB-CE1 3.55Å; E64-F602 HydrophobicContact CB-CE2 4.4Å; E64-F602 HydrophobicContact CB-CZ 3.64Å; E64-F602 PolarHBondContact N-O 3.33Å; E64-F602 WeakPolarHBondContact O-CD1 3.21Å; E64-F602 PolarHBondContact O-N 2.87Å; E64-F602 WeakPolarHBondContact OE2-CZ 3.12Å; F66-F602 HydrophobicContact CB-CD1 3.99Å; F66-F602 HydrophobicContact CD2-CD1 4.25Å; K495-F602 HydrophobicContact CB-CB 4.25Å; K495-F602 HydrophobicContact CB-CD2 4.45Å; K495-F602 HydrophobicContact CB-CG 4.21Å; K495-F602 HydrophobicContact CD-CD2 3.73Å; K495-F602 HydrophobicContact CD-CE2 3.72Å; K495-F602 HydrophobicContact CD-CG 4.21Å; K495-F602 HydrophobicContact CD-CZ 4.17Å; K495-F602 HydrophobicContact CG-CB 4.38Å; K495-F602 HydrophobicContact CG-CD2 3.79Å; K495-F602 HydrophobicContact CG-CE2 4.31Å; K495-F602 HydrophobicContact CG-CG 4.06Å; F602-S604 PolarHBondContact O-N 2.91Å
603	L	87	Confident	79	Confident	9 Å²	9	41 Å²	41	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	114.5	173.6	-67.7	168.9	0	0	0	109.7	L56 I61 L63 I605 Q930 Y1153	L56-L603 HydrophobicContact CD1-CD2 4.4Å; L56-L603 HydrophobicContact CD2-CD2 3.64Å; I61-L603 HydrophobicContact CG2-CB 4.31Å; I61-L603 HydrophobicContact CG2-CD2 3.99Å; L63-L603 HydrophobicContact CD2-CD2 3.83Å; L603-I605 HydrophobicContact CB-CD1 4.24Å; L603-I605 HydrophobicContact CB-CG1 4.07Å; L603-I605 PolarHBondContact O-N 3.42Å; L603-Q930 HydrophobicContact CD1-CG 4.35Å; L603-Y1153 HydrophobicContact CD1-CE1 3.92Å; L603-Y1153 WeakPolarHBondContact CD1-OH 2.87Å; L603-Y1153 HydrophobicContact CD2-CD1 4.42Å; L603-Y1153 HydrophobicContact CD2-CE1 3.97Å; L603-Y1153 HydrophobicContact CG-CE1 3.76Å
604	S	86.5	Confident	78.4	Confident	24 Å²	24	43.3 Å²	43.3	17%	0.168	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	107.3	170.8	-172.6	0	0	0	0	109.1	I61 S62 E64 F602	I61-S604 WeakPolarHBondContact CG2-O 3.39Å; S62-S604 PolarHBondContact N-O 2.78Å; S62-S604 PolarHBondContact O-N 2.87Å; E64-S604 WeakPolarHBondContact OE1-CB 3.48Å; E64-S604 PolarHBondContact OE1-OG 2.88Å; F602-S604 PolarHBondContact O-N 2.91Å
605	I	80.5	Confident	77.8	Confident	9 Å²	9	46.4 Å²	46.4	5%	0.046	24%	0.241	C	C	.	.			trans	-104.4	113.7	-169.3	-63.8	179.1	0	0	0	108.8	I61 L603 K607 I609 E926 Q930	I61-I605 HydrophobicContact CD1-CG1 4.43Å; I61-I605 HydrophobicContact CG2-CG1 4.22Å; L603-I605 HydrophobicContact CB-CD1 4.24Å; L603-I605 HydrophobicContact CB-CG1 4.07Å; L603-I605 PolarHBondContact O-N 3.42Å; I605-K607 PolarHBondContact O-N 2.86Å; I605-I609 HydrophobicContact CG2-CD1 3.88Å; I605-E926 WeakPolarHBondContact CD1-O 3.5Å; I605-Q930 HydrophobicContact CD1-CB 3.55Å; I605-Q930 HydrophobicContact CD1-CG 4Å
606	P	72.2	Confident	77.3	Confident	41 Å²	41	48.4 Å²	48.4	27%	0.266	25%	0.252	S	S	.	.			trans	-57.2	130.3	179.6	-27.5	35.1	0	0	0	112.8	S608 I609	P606-S608 WeakPolarHBondContact CB-OG 3.37Å; P606-S608 PolarHBondContact O-N 3.34Å; P606-I609 HydrophobicContact CG-CD1 4.5Å; P606-I609 PolarHBondContact O-N 3.4Å
607	K	61.3	Low	76.4	Confident	138 Å²	138	52.7 Å²	52.7	60%	0.6	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-9.2	175	-64.5	176.1	176.8	173.1	0	114.3	I605 H667	I605-K607 PolarHBondContact O-N 2.86Å; K607-H667 PolarHBondContact NZ-CD2 3.13Å; K607-H667 PolarHBondContact NZ-CE1 2.95Å; K607-H667 VanDerWaalsContact NZ-CE1 3.3Å; K607-H667 PolarHBondContact NZ-NE2 2.92Å
608	S	56.4	Low	75.9	Confident	100 Å²	100	55.6 Å²	55.6	70%	0.699	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.2	175.5	50.2	0	0	0	0	114.2	P606 K610	P606-S608 WeakPolarHBondContact CB-OG 3.37Å; P606-S608 PolarHBondContact O-N 3.34Å; S608-K610 PolarHBondContact O-N 3.4Å
609	I	62.5	Low	75.5	Confident	22 Å²	22	54.9 Å²	54.9	11%	0.113	32%	0.322	C	S	.	.			trans	-75.2	74.5	174.7	-56.3	168	0	0	0	109.2	H59 I61 I605 P606 S611 Q924 S929	H59-I609 HydrophobicContact CB-CD1 3.77Å; H59-I609 HydrophobicContact CB-CG1 4.34Å; I61-I609 HydrophobicContact CD1-CD1 3.88Å; I61-I609 HydrophobicContact CG1-CD1 3.87Å; I605-I609 HydrophobicContact CG2-CD1 3.88Å; P606-I609 HydrophobicContact CG-CD1 4.5Å; P606-I609 PolarHBondContact O-N 3.4Å; I609-S611 PolarHBondContact O-N 2.89Å; I609-S611 VanDerWaalsContact O-N 3.14Å; I609-Q924 PolarHBondContact O-OE1 3.17Å; I609-S929 PolarHBondContact O-OG 3.38Å
610	K	63	Low	75.5	Confident	162 Å²	162	56.1 Å²	56.1	70%	0.704	33%	0.329	S	S	*	.			trans	-83.1	66.1	168.8	-69.9	-171.3	176.1	-175.3	0	109.7	S608 K612	S608-K610 PolarHBondContact O-N 3.4Å; K610-K612 PolarHBondContact O-N 2.7Å
611	S	68.9	Low	75.6	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.021	32%	0.321	C	S	.	.			trans	-58.8	119.7	179.8	52.9	0	0	0	0	110.9	I609 D624 Q924 L932	I609-S611 PolarHBondContact O-N 2.89Å; I609-S611 VanDerWaalsContact O-N 3.14Å; S611-D624 WeakPolarHBondContact CA-OD1 3.24Å; S611-D624 VanDerWaalsContact CA-OD2 3.26Å; S611-D624 WeakPolarHBondContact CA-OD2 3.49Å; S611-D624 VanDerWaalsContact CB-OD2 3.24Å; S611-D624 WeakPolarHBondContact CB-OD2 3.29Å; S611-Q924 PolarHBondContact O-NE2 3.13Å; S611-Q924 PolarHBondContact OG-OE1 3.25Å; S611-Q924 VanDerWaalsContact OG-OE1 3.09Å; S611-L932 WeakPolarHBondContact OG-CD1 3.11Å
612	K	72.1	Confident	75.3	Confident	142 Å²	142	55.4 Å²	55.4	62%	0.617	32%	0.324	S	S	*	.			trans	-98.8	109.3	-167.7	-167.8	-172	179.3	-176.9	0	110.8	K610 T614 D624	K610-K612 PolarHBondContact O-N 2.7Å; K612-T614 HydrophobicContact CD-CG2 3.82Å; K612-T614 HydrophobicContact CG-CG2 3.89Å; K612-T614 PolarHBondContact O-N 2.93Å; K612-D624 PolarHBondContact N-OD1 2.61Å; K612-D624 PolarHBondContact O-N 3.15Å; K612-D624 VanDerWaalsContact O-N 3.09Å
613	I	77.2	Confident	75.1	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	120.3	169.4	-56	-178.2	0	0	0	109	Y621 M622 L914 I917 R918 L932	I613-Y621 HydrophobicContact CG2-CD1 3.9Å; I613-M622 WeakPolarHBondContact CA-O 3.18Å; I613-L914 HydrophobicContact CD1-CD2 4.17Å; I613-L914 WeakPolarHBondContact CD1-O 3.25Å; I613-I917 HydrophobicContact CD1-CB 3.87Å; I613-I917 HydrophobicContact CD1-CG2 3.57Å; I613-R918 HydrophobicContact CB-CB 4.21Å; I613-R918 HydrophobicContact CB-CG 4.19Å; I613-R918 HydrophobicContact CD1-CB 4.36Å; I613-R918 HydrophobicContact CG2-CB 4.22Å; I613-R918 HydrophobicContact CG2-CG 4.35Å; I613-L932 HydrophobicContact CD1-CD2 3.94Å; I613-L932 HydrophobicContact CG1-CD2 4.31Å
614	T	83.7	Confident	74.7	Confident	48 Å²	48	56.3 Å²	56.3	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	178.5	172.5	61.6	0	0	0	0	110.2	K612 Y621 M622	K612-T614 HydrophobicContact CD-CG2 3.82Å; K612-T614 HydrophobicContact CG-CG2 3.89Å; K612-T614 PolarHBondContact O-N 2.93Å; T614-Y621 WeakPolarHBondContact O-CA 3.33Å; T614-M622 PolarHBondContact N-O 3.22Å; T614-M622 PolarHBondContact O-N 2.85Å; T614-M622 WeakPolarHBondContact OG1-CB 3.19Å
615	T	80.9	Confident	74.3	Confident	66 Å²	66	60.8 Å²	60.8	41%	0.405	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.5	174.9	51.4	0	0	0	0	110.3	N620 Y621	T615-N620 CarbonylContact C-O 3.59Å; T615-N620 VanDerWaalsContact CA-O 3.23Å; T615-N620 WeakPolarHBondContact CA-O 3.45Å; T615-Y621 HydrophobicContact CG2-CD1 3.99Å; T615-Y621 HydrophobicContact CG2-CE1 3.86Å; T615-Y621 HydrophobicContact CG2-CE2 4.41Å; T615-Y621 HydrophobicContact CG2-CG 4.34Å
616	D	81.3	Confident	74.5	Confident	42 Å²	42	61 Å²	61	23%	0.225	35%	0.354	C	S	.	.			trans	-69.5	170.3	171.3	79.2	-2.3	0	0	0	111.6	S618 G619 N620 L627	D616-S618 PolarHBondContact O-N 3.32Å; D616-S618 VanDerWaalsContact OD1-CA 3.25Å; D616-S618 WeakPolarHBondContact OD1-CA 3.48Å; D616-S618 WeakPolarHBondContact OD1-CB 3.37Å; D616-S618 PolarHBondContact OD1-N 2.93Å; D616-G619 PolarHBondContact O-N 2.91Å; D616-G619 VanDerWaalsContact O-N 3.13Å; D616-G619 PolarHBondContact OD1-N 2.88Å; D616-N620 PolarHBondContact N-O 3.21Å; D616-N620 PolarHBondContact OD1-N 3.13Å; D616-N620 PolarHBondContact OD1-ND2 2.95Å; D616-N620 PolarHBondContact OD2-ND2 3.13Å; D616-L627 HydrophobicContact CB-CD1 4.11Å
617	G	69.6	Low	75.1	Confident	91 Å²	91	61.5 Å²	61.5	94%	0.938	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	10.4	175.5	0	0	0	0	0	115.1
618	S	75.3	Confident	76.2	Confident	94 Å²	94	55 Å²	55	66%	0.657	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	5.9	176.1	-63.9	0	0	0	0	112.9	D616 N620	D616-S618 PolarHBondContact O-N 3.32Å; D616-S618 VanDerWaalsContact OD1-CA 3.25Å; D616-S618 WeakPolarHBondContact OD1-CA 3.48Å; D616-S618 WeakPolarHBondContact OD1-CB 3.37Å; D616-S618 PolarHBondContact OD1-N 2.93Å; S618-N620 WeakPolarHBondContact CB-ND2 3.36Å
619	G	73.9	Confident	77.5	Confident	33 Å²	33	54.3 Å²	54.3	34%	0.34	31%	0.31	S	S	.	.	S	Bend	trans	73.7	25.5	-179.9	0	0	0	0	0	114.6	D616 R911	D616-G619 PolarHBondContact O-N 2.91Å; D616-G619 VanDerWaalsContact O-N 3.13Å; D616-G619 PolarHBondContact OD1-N 2.88Å; G619-R911 PolarHBondContact O-NH2 3.01Å; G619-R911 VanDerWaalsContact O-NH2 3.12Å
620	N	78.7	Confident	78.4	Confident	34 Å²	34	55.2 Å²	55.2	18%	0.182	32%	0.315	C	S	.	.			trans	-94.6	150	165.9	-48.2	-70.5	0	0	0	109.4	T615 D616 S618 L627	T615-N620 CarbonylContact C-O 3.59Å; T615-N620 VanDerWaalsContact CA-O 3.23Å; T615-N620 WeakPolarHBondContact CA-O 3.45Å; D616-N620 PolarHBondContact N-O 3.21Å; D616-N620 PolarHBondContact OD1-N 3.13Å; D616-N620 PolarHBondContact OD1-ND2 2.95Å; D616-N620 PolarHBondContact OD2-ND2 3.13Å; S618-N620 WeakPolarHBondContact CB-ND2 3.36Å; N620-L627 HydrophobicContact CB-CD1 3.86Å
621	Y	82.4	Confident	79.3	Confident	29 Å²	29	47.8 Å²	47.8	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.8	-176.4	-70.1	-102.6	0	0	0	111	I613 T614 T615 I628 R911 L914 E915	I613-Y621 HydrophobicContact CG2-CD1 3.9Å; T614-Y621 WeakPolarHBondContact O-CA 3.33Å; T615-Y621 HydrophobicContact CG2-CD1 3.99Å; T615-Y621 HydrophobicContact CG2-CE1 3.86Å; T615-Y621 HydrophobicContact CG2-CE2 4.41Å; T615-Y621 HydrophobicContact CG2-CG 4.34Å; Y621-I628 WeakPolarHBondContact O-CB 3.26Å; Y621-I628 PolarHBondContact O-N 3.08Å; Y621-R911 HydrophobicContact CD2-CG 4.02Å; Y621-R911 HydrophobicContact CE2-CB 4.04Å; Y621-R911 HydrophobicContact CE2-CG 3.65Å; Y621-L914 HydrophobicContact CD1-CB 3.95Å; Y621-L914 HydrophobicContact CD1-CD1 4.41Å; Y621-L914 HydrophobicContact CE1-CB 4.43Å; Y621-L914 HydrophobicContact CG-CB 4.32Å; Y621-L914 HydrophobicContact CG-CD1 4Å; Y621-E915 HydrophobicContact CE1-CG 4.07Å; Y621-E915 WeakPolarHBondContact CE1-OE1 3.29Å; Y621-E915 WeakPolarHBondContact OH-CG 3.43Å; Y621-E915 PolarHBondContact OH-OE1 3Å
622	M	81.4	Confident	79.7	Confident	42 Å²	42	48.5 Å²	48.5	21%	0.207	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.3	175.3	-71	-88.2	-65.6	0	0	107.8	I613 T614 D624 D625 V626 L627	I613-M622 WeakPolarHBondContact CA-O 3.18Å; T614-M622 PolarHBondContact N-O 3.22Å; T614-M622 PolarHBondContact O-N 2.85Å; T614-M622 WeakPolarHBondContact OG1-CB 3.19Å; M622-D624 WeakPolarHBondContact CE-O 3.49Å; M622-D625 WeakPolarHBondContact CE-O 3.48Å; M622-V626 WeakPolarHBondContact CA-O 3.4Å; M622-L627 HydrophobicContact CG-CD1 3.96Å; M622-L627 WeakPolarHBondContact SD-CA 3.49Å; M622-L627 HydrophobicContact SD-CB 3.54Å; M622-L627 VanDerWaalsContact SD-CB 3.54Å; M622-L627 HydrophobicContact SD-CD1 3.64Å; M622-L627 HydrophobicContact SD-CG 4.17Å
623	I	81.9	Confident	80	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.1	165	-54.7	176.4	0	0	0	106.4	D625 V626 I628 L914 L932 I935 M936	I623-D625 PolarHBondContact O-N 2.88Å; I623-D625 VanDerWaalsContact O-N 3.11Å; I623-V626 PolarHBondContact N-O 3.44Å; I623-V626 WeakPolarHBondContact O-CB 3.49Å; I623-V626 PolarHBondContact O-N 2.89Å; I623-I628 HydrophobicContact CD1-CD1 4.08Å; I623-I628 HydrophobicContact CD1-CG1 4.19Å; I623-I628 HydrophobicContact CG1-CD1 4.25Å; I623-I628 HydrophobicContact CG1-CG1 4.09Å; I623-L914 HydrophobicContact CD1-CD2 4.16Å; I623-L932 HydrophobicContact CD1-CD2 3.87Å; I623-L932 HydrophobicContact CG2-CB 4.29Å; I623-I935 HydrophobicContact CD1-CB 3.99Å; I623-I935 HydrophobicContact CD1-CG2 3.57Å; I623-M936 HydrophobicContact CB-CG 3.82Å; I623-M936 HydrophobicContact CB-SD 4.14Å; I623-M936 HydrophobicContact CD1-CG 4.44Å; I623-M936 HydrophobicContact CG2-CE 4.08Å; I623-M936 HydrophobicContact CG2-CG 3.76Å; I623-M936 HydrophobicContact CG2-SD 3.74Å
624	D	78.9	Confident	80.1	Confident	47 Å²	47	50.9 Å²	50.9	25%	0.251	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-112.6	-167.7	-59.5	-50.5	0	0	0	111.4	S611 K612 M622	S611-D624 WeakPolarHBondContact CA-OD1 3.24Å; S611-D624 VanDerWaalsContact CA-OD2 3.26Å; S611-D624 WeakPolarHBondContact CA-OD2 3.49Å; S611-D624 VanDerWaalsContact CB-OD2 3.24Å; S611-D624 WeakPolarHBondContact CB-OD2 3.29Å; K612-D624 PolarHBondContact N-OD1 2.61Å; K612-D624 PolarHBondContact O-N 3.15Å; K612-D624 VanDerWaalsContact O-N 3.09Å; M622-D624 WeakPolarHBondContact CE-O 3.49Å
625	D	79.3	Confident	80	Confident	118 Å²	118	48.9 Å²	48.9	63%	0.631	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.6	177.2	-54.8	-43.6	0	0	0	113.7	R58 M622 I623	R58-D625 IonicContact CZ-OD2 3.39Å; R58-D625 IonicContact NH1-OD2 3.8Å; R58-D625 IonicContact NH2-OD2 3.81Å; R58-D625 PolarHBondContact NH2-OD2 3.47Å; M622-D625 WeakPolarHBondContact CE-O 3.48Å; I623-D625 PolarHBondContact O-N 2.88Å; I623-D625 VanDerWaalsContact O-N 3.11Å
626	V	82.8	Confident	80.1	Confident	13 Å²	13	47.4 Å²	47.4	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	108.7	-165	-173.2	0	0	0	0	111.3	M622 I623 I628 M936 E939	M622-V626 WeakPolarHBondContact CA-O 3.4Å; I623-V626 PolarHBondContact N-O 3.44Å; I623-V626 WeakPolarHBondContact O-CB 3.49Å; I623-V626 PolarHBondContact O-N 2.89Å; V626-I628 HydrophobicContact CG1-CD1 4.22Å; V626-I628 PolarHBondContact O-N 3.07Å; V626-M936 HydrophobicContact CB-CG 3.98Å; V626-M936 HydrophobicContact CB-SD 4.2Å; V626-M936 HydrophobicContact CG1-CB 4.5Å; V626-M936 HydrophobicContact CG1-CG 4.34Å; V626-M936 HydrophobicContact CG2-CB 4.3Å; V626-M936 HydrophobicContact CG2-CG 3.94Å; V626-M936 HydrophobicContact CG2-SD 3.7Å; V626-E939 HydrophobicContact CG1-CB 4.11Å; V626-E939 HydrophobicContact CG1-CG 3.85Å
627	L	85.8	Confident	80.2	Confident	51 Å²	51	46.2 Å²	46.2	27%	0.267	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	108.1	178.3	-176.1	64.5	0	0	0	111.7	D616 N620 M622 K629 E939	D616-L627 HydrophobicContact CB-CD1 4.11Å; N620-L627 HydrophobicContact CB-CD1 3.86Å; M622-L627 HydrophobicContact CG-CD1 3.96Å; M622-L627 WeakPolarHBondContact SD-CA 3.49Å; M622-L627 HydrophobicContact SD-CB 3.54Å; M622-L627 VanDerWaalsContact SD-CB 3.54Å; M622-L627 HydrophobicContact SD-CD1 3.64Å; M622-L627 HydrophobicContact SD-CG 4.17Å; L627-K629 HydrophobicContact CD2-CB 4.38Å; L627-K629 HydrophobicContact CD2-CD 3.73Å; L627-K629 HydrophobicContact CG-CB 4.05Å; L627-K629 HydrophobicContact CG-CD 4.28Å; L627-K629 PolarHBondContact O-N 3.25Å; L627-K629 VanDerWaalsContact O-N 3.13Å; L627-E939 VanDerWaalsContact O-CD 3.23Å; L627-E939 WeakPolarHBondContact O-CG 3.39Å
628	I	84.8	Confident	80.9	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	101.3	178.8	-49.3	-54.5	0	0	0	109.3	Y621 I623 V626 L631 I632 I935 E939	Y621-I628 WeakPolarHBondContact O-CB 3.26Å; Y621-I628 PolarHBondContact O-N 3.08Å; I623-I628 HydrophobicContact CD1-CD1 4.08Å; I623-I628 HydrophobicContact CD1-CG1 4.19Å; I623-I628 HydrophobicContact CG1-CD1 4.25Å; I623-I628 HydrophobicContact CG1-CG1 4.09Å; V626-I628 HydrophobicContact CG1-CD1 4.22Å; V626-I628 PolarHBondContact O-N 3.07Å; I628-L631 HydrophobicContact CG2-CD2 4.38Å; I628-I632 HydrophobicContact CG2-CD1 4.25Å; I628-I632 HydrophobicContact CG2-CG1 4.19Å; I628-I935 HydrophobicContact CD1-CG2 3.92Å; I628-I935 HydrophobicContact CG1-CG2 4.48Å; I628-E939 WeakPolarHBondContact CA-OE2 3.06Å; I628-E939 HydrophobicContact CD1-CB 3.86Å; I628-E939 HydrophobicContact CD1-CG 4.14Å
629	K	83.5	Confident	81.5	Confident	86 Å²	86	39.4 Å²	39.4	37%	0.374	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-155.2	-42.2	-167.7	178.6	176.3	176.6	-179.9	0	114.1	L627 K633 E939	L627-K629 HydrophobicContact CD2-CB 4.38Å; L627-K629 HydrophobicContact CD2-CD 3.73Å; L627-K629 HydrophobicContact CG-CB 4.05Å; L627-K629 HydrophobicContact CG-CD 4.28Å; L627-K629 PolarHBondContact O-N 3.25Å; L627-K629 VanDerWaalsContact O-N 3.13Å; K629-K633 WeakPolarHBondContact O-CB 3.3Å; K629-K633 VanDerWaalsContact O-CG 3.3Å; K629-K633 WeakPolarHBondContact O-CG 3.23Å; K629-K633 PolarHBondContact O-N 3.35Å; K629-E939 PolarHBondContact N-OE2 3.01Å
630	N	82	Confident	82	Confident	42 Å²	42	38.1 Å²	38.1	23%	0.225	19%	0.186	C	C	.	.	H	α-helix	trans	-79.2	-36.3	177.1	-59	-82	0	0	0	110.6	I632 K633 K634 E939 V942	N630-I632 VanDerWaalsContact C-N 3.34Å; N630-I632 PolarHBondContact O-N 3.25Å; N630-K633 PolarHBondContact O-N 3.25Å; N630-K633 VanDerWaalsContact O-N 3.07Å; N630-K634 HydrophobicContact CB-CD 4.26Å; N630-K634 WeakPolarHBondContact O-CB 3.25Å; N630-K634 PolarHBondContact O-N 3.05Å; N630-K634 WeakPolarHBondContact OD1-CE 3.4Å; N630-E939 WeakPolarHBondContact CA-OE1 3.39Å; N630-E939 WeakPolarHBondContact CB-OE1 3.33Å; N630-E939 PolarHBondContact N-OE1 3.24Å; N630-E939 PolarHBondContact N-OE2 3.37Å; N630-E939 PolarHBondContact ND2-OE1 3.42Å; N630-V942 HydrophobicContact CB-CG1 4.12Å; N630-V942 WeakPolarHBondContact O-CG1 3.38Å
631	L	81.9	Confident	82.1	Confident	5 Å²	5	39.2 Å²	39.2	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-51.7	-53	173.5	-173.6	51.3	0	0	0	110.1	I628 K633 A635 I637 I935 A938 E939 V942 W968	I628-L631 HydrophobicContact CG2-CD2 4.38Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.49Å; L631-A635 PolarHBondContact O-N 3.09Å; L631-I637 HydrophobicContact CB-CD1 4.39Å; L631-I637 HydrophobicContact CD1-CD1 3.62Å; L631-I637 HydrophobicContact CD1-CG1 3.97Å; L631-I637 HydrophobicContact CG-CD1 3.5Å; L631-I637 HydrophobicContact CG-CG1 4.37Å; L631-I637 WeakPolarHBondContact O-CD1 3.27Å; L631-I935 HydrophobicContact CD2-CG2 4.23Å; L631-A938 HydrophobicContact CD1-CB 3.94Å; L631-A938 HydrophobicContact CD2-CB 3.84Å; L631-E939 HydrophobicContact CB-CB 4.28Å; L631-E939 WeakPolarHBondContact CB-OE2 3.4Å; L631-E939 HydrophobicContact CD2-CB 4.28Å; L631-E939 PolarHBondContact N-OE2 3.09Å; L631-V942 HydrophobicContact CD1-CG2 3.86Å; L631-W968 HydrophobicContact CD1-CB 4.17Å; L631-W968 HydrophobicContact CD1-CG 4.29Å
632	I	76.2	Confident	81.7	Confident	19 Å²	19	43.3 Å²	43.3	10%	0.097	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-34.6	177.2	-50	-179.2	0	0	0	112.9	I628 N630 N907 I910	I628-I632 HydrophobicContact CG2-CD1 4.25Å; I628-I632 HydrophobicContact CG2-CG1 4.19Å; N630-I632 VanDerWaalsContact C-N 3.34Å; N630-I632 PolarHBondContact O-N 3.25Å; I632-N907 HydrophobicContact CG2-CB 3.87Å; I632-I910 HydrophobicContact CB-CD1 4.43Å; I632-I910 HydrophobicContact CD1-CG2 4.2Å; I632-I910 HydrophobicContact CG1-CD1 3.91Å; I632-I910 HydrophobicContact CG1-CG2 4.31Å; I632-I910 HydrophobicContact CG2-CD1 4.41Å
633	K	77.9	Confident	81.3	Confident	148 Å²	148	42.1 Å²	42.1	64%	0.643	20%	0.203	S	C	*	.	H	α-helix	trans	-97.7	-22.4	-169.5	-72.2	-173	177.5	-140.7	0	115.7	K629 N630 L631	K629-K633 WeakPolarHBondContact O-CB 3.3Å; K629-K633 VanDerWaalsContact O-CG 3.3Å; K629-K633 WeakPolarHBondContact O-CG 3.23Å; K629-K633 PolarHBondContact O-N 3.35Å; N630-K633 PolarHBondContact O-N 3.25Å; N630-K633 VanDerWaalsContact O-N 3.07Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.49Å
634	K	79.7	Confident	81.1	Confident	60 Å²	60	42.1 Å²	42.1	26%	0.261	20%	0.203	S	C	.	.	H	α-helix	trans	-121.9	-2.3	-170.8	-53.9	-176	-174.1	176.6	0	113.2	N630 V942 A946 E947	N630-K634 HydrophobicContact CB-CD 4.26Å; N630-K634 WeakPolarHBondContact O-CB 3.25Å; N630-K634 PolarHBondContact O-N 3.05Å; N630-K634 WeakPolarHBondContact OD1-CE 3.4Å; K634-V942 HydrophobicContact CB-CG1 3.7Å; K634-V942 HydrophobicContact CD-CG1 4.43Å; K634-A946 HydrophobicContact CB-CB 4.14Å; K634-A946 HydrophobicContact CD-CB 3.52Å; K634-A946 HydrophobicContact CG-CB 4.47Å; K634-E947 VanDerWaalsContact NZ-CG 3.3Å; K634-E947 IonicContact NZ-OE1 3.81Å; K634-E947 PolarHBondContact NZ-OE1 3.3Å
635	A	82.5	Confident	80.7	Confident	6 Å²	6	42.5 Å²	42.5	5%	0.05	21%	0.205	C	C	.	.			trans	-140.3	150.5	179.3	0	0	0	0	0	112.8	L631 I637 Q906 V942 W968 T969 I970	L631-A635 PolarHBondContact O-N 3.09Å; A635-I637 HydrophobicContact CB-CG1 4.49Å; A635-Q906 PolarHBondContact O-NE2 2.96Å; A635-V942 HydrophobicContact CB-CG1 4.47Å; A635-V942 HydrophobicContact CB-CG2 4.06Å; A635-W968 HydrophobicContact CB-CB 4.24Å; A635-T969 CarbonylContact C-O 3.56Å; A635-T969 VanDerWaalsContact CA-O 3.24Å; A635-T969 WeakPolarHBondContact CA-O 3.46Å; A635-T969 WeakPolarHBondContact CB-O 3.46Å; A635-I970 HydrophobicContact CB-CG1 4.27Å
636	K	83.1	Confident	80.1	Confident	34 Å²	34	39 Å²	39	15%	0.148	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.8	166.5	-61.9	-172.7	-178	-174.5	0	108.7	W968 T969 T974 E976 F978	K636-W968 CarbonylContact O-C 3.58Å; K636-W968 VanDerWaalsContact O-CA 3.31Å; K636-W968 WeakPolarHBondContact O-CA 3.29Å; K636-T969 PolarHBondContact N-O 3.1Å; K636-T969 PolarHBondContact O-N 3.04Å; K636-T974 WeakPolarHBondContact CE-O 3.43Å; K636-T974 PolarHBondContact NZ-O 3.33Å; K636-E976 PolarHBondContact NZ-O 2.73Å; K636-F978 HydrophobicContact CB-CD2 4.27Å
637	I	83.3	Confident	79.3	Confident	18 Å²	18	38.7 Å²	38.7	9%	0.092	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.9	-164.8	-62.8	156.6	0	0	0	111.2	L631 A635 L639 I910 L966 I967 W968	L631-I637 HydrophobicContact CB-CD1 4.39Å; L631-I637 HydrophobicContact CD1-CD1 3.62Å; L631-I637 HydrophobicContact CD1-CG1 3.97Å; L631-I637 HydrophobicContact CG-CD1 3.5Å; L631-I637 HydrophobicContact CG-CG1 4.37Å; L631-I637 WeakPolarHBondContact O-CD1 3.27Å; A635-I637 HydrophobicContact CB-CG1 4.49Å; I637-L639 HydrophobicContact CG2-CD2 3.84Å; I637-L639 HydrophobicContact CG2-CG 4.16Å; I637-I910 HydrophobicContact CD1-CD1 3.56Å; I637-L966 HydrophobicContact CG2-CD1 4.29Å; I637-I967 CarbonylContact C-O 3.56Å; I637-I967 VanDerWaalsContact CA-O 3.32Å; I637-I967 WeakPolarHBondContact CA-O 3.46Å; I637-W968 HydrophobicContact CG1-CB 4.03Å
638	I	84.2	Confident	78.3	Confident	30 Å²	30	38.7 Å²	38.7	15%	0.154	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.5	160.3	-57.4	156.6	0	0	0	107.2	I967 F978 K983	I638-I967 HydrophobicContact CB-CB 4.15Å; I638-I967 HydrophobicContact CD1-CB 4.14Å; I638-I967 HydrophobicContact CD1-CD1 4Å; I638-I967 HydrophobicContact CD1-CG1 4.45Å; I638-I967 HydrophobicContact CD1-CG2 4.43Å; I638-I967 PolarHBondContact N-O 2.81Å; I638-I967 PolarHBondContact O-N 2.87Å; I638-F978 HydrophobicContact CD1-CE1 3.76Å; I638-F978 HydrophobicContact CD1-CZ 3.56Å; I638-F978 HydrophobicContact CG1-CE1 4.37Å; I638-F978 HydrophobicContact CG1-CZ 4.18Å; I638-K983 HydrophobicContact CD1-CB 4.46Å; I638-K983 HydrophobicContact CD1-CG 3.88Å; I638-K983 HydrophobicContact CG1-CG 4.37Å
639	L	86.5	Confident	77.1	Confident	12 Å²	12	41.3 Å²	41.3	6%	0.063	20%	0.196	C	C	.	.			trans	-95	148.1	-179.8	-62.4	167.4	0	0	0	111	I637 W641 E909 I910 F913 L966	I637-L639 HydrophobicContact CG2-CD2 3.84Å; I637-L639 HydrophobicContact CG2-CG 4.16Å; L639-W641 PolarHBondContact O-N 2.76Å; L639-E909 HydrophobicContact CD1-CG 4.11Å; L639-I910 HydrophobicContact CD1-CB 4.34Å; L639-I910 HydrophobicContact CD1-CG1 3.83Å; L639-I910 HydrophobicContact CD2-CG1 4.29Å; L639-I910 HydrophobicContact CG-CG1 4.41Å; L639-F913 HydrophobicContact CB-CD2 4.07Å; L639-F913 HydrophobicContact CB-CE2 4.26Å; L639-F913 HydrophobicContact CB-CG 4.26Å; L639-F913 HydrophobicContact CD1-CB 3.66Å; L639-F913 HydrophobicContact CD1-CD1 4.43Å; L639-F913 HydrophobicContact CD1-CD2 4.38Å; L639-F913 HydrophobicContact CD1-CG 3.93Å; L639-F913 HydrophobicContact CD2-CD1 4.32Å; L639-F913 HydrophobicContact CG-CG 4.48Å; L639-L966 HydrophobicContact CD2-CD1 4.18Å
640	P	85.7	Confident	75.8	Confident	6 Å²	6	39.5 Å²	39.5	4%	0.039	19%	0.189	C	C	.	.			trans	-78.4	54	-176.3	32	-34.6	0	0	0	113	K642 A643 L644 F913 I931 T964 L966	P640-K642 VanDerWaalsContact C-N 3.29Å; P640-K642 PolarHBondContact O-N 2.93Å; P640-A643 HydrophobicContact CB-CB 4.23Å; P640-A643 PolarHBondContact O-N 3.46Å; P640-L644 PolarHBondContact O-N 3.23Å; P640-L644 VanDerWaalsContact O-N 3.1Å; P640-F913 HydrophobicContact CG-CZ 3.85Å; P640-I931 HydrophobicContact CG-CD1 4.45Å; P640-I931 HydrophobicContact CG-CG1 4.15Å; P640-I931 HydrophobicContact CG-CG2 3.91Å; P640-T964 WeakPolarHBondContact CB-O 3.3Å; P640-L966 HydrophobicContact CG-CB 4.45Å
641	W	81.4	Confident	74.2	Confident	56 Å²	56	40.9 Å²	40.9	21%	0.212	20%	0.197	C	C	.	.	H	α-helix	trans	-51.6	-45.3	177.2	-72.8	107.8	0	0	0	112.5	L639 A643 L644 D645 E909 F913 K916	L639-W641 PolarHBondContact O-N 2.76Å; W641-A643 VanDerWaalsContact C-N 3.26Å; W641-A643 PolarHBondContact O-N 3.41Å; W641-L644 HydrophobicContact CE3-CD2 4.44Å; W641-L644 HydrophobicContact CZ3-CD2 4.45Å; W641-L644 PolarHBondContact O-N 2.78Å; W641-L644 VanDerWaalsContact O-N 3.09Å; W641-D645 PolarHBondContact O-N 3.38Å; W641-E909 HydrophobicContact CZ2-CG 4.07Å; W641-E909 PolarHBondContact NE1-OE1 3.09Å; W641-F913 AromaticContact CD2-CD2 3.7Å; W641-F913 HydrophobicContact CD2-CD2 3.7Å; W641-F913 HydrophobicContact CD2-CE2 4.22Å; W641-F913 AromaticContact CE2-CD2 3.76Å; W641-F913 AromaticContact CE3-CD2 3.74Å; W641-F913 HydrophobicContact CE3-CD2 3.74Å; W641-F913 HydrophobicContact CE3-CE2 4.26Å; W641-F913 HydrophobicContact CG-CD2 4.34Å; W641-F913 HydrophobicContact CH2-CB 3.85Å; W641-F913 AromaticContact CH2-CD2 3.94Å; W641-F913 HydrophobicContact CH2-CD2 3.94Å; W641-F913 HydrophobicContact CH2-CG 4.41Å; W641-F913 HydrophobicContact CZ2-CB 3.76Å; W641-F913 AromaticContact CZ2-CD2 3.9Å; W641-F913 HydrophobicContact CZ2-CD2 3.9Å; W641-F913 HydrophobicContact CZ2-CG 4.34Å; W641-F913 AromaticContact CZ3-CD2 3.86Å; W641-F913 HydrophobicContact CZ3-CD2 3.86Å; W641-K916 HydrophobicContact CZ3-CD 3.74Å
642	K	72.3	Confident	72.4	Confident	116 Å²	116	45.7 Å²	45.7	50%	0.504	22%	0.223	S	C	.	.	H	α-helix	trans	-57.6	-36.2	178.1	-173.4	171.2	178.3	172	0	112.7	P640 V646 D987	P640-K642 VanDerWaalsContact C-N 3.29Å; P640-K642 PolarHBondContact O-N 2.93Å; K642-V646 VanDerWaalsContact O-CG2 3.29Å; K642-V646 WeakPolarHBondContact O-CG2 3.49Å; K642-V646 PolarHBondContact O-N 3.38Å; K642-D987 IonicContact NZ-OD1 3.45Å; K642-D987 IonicContact NZ-OD2 2.73Å; K642-D987 PolarHBondContact NZ-OD2 3.48Å
643	A	74.4	Confident	70.6	Confident	17 Å²	17	48.3 Å²	48.3	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-76.1	-36.7	176.8	0	0	0	0	0	112.4	P640 W641 Y647 L927 I931	P640-A643 HydrophobicContact CB-CB 4.23Å; P640-A643 PolarHBondContact O-N 3.46Å; W641-A643 VanDerWaalsContact C-N 3.26Å; W641-A643 PolarHBondContact O-N 3.41Å; A643-Y647 PolarHBondContact O-N 3.24Å; A643-Y647 VanDerWaalsContact O-N 3.07Å; A643-L927 HydrophobicContact CB-CD1 4.47Å; A643-I931 HydrophobicContact CB-CD1 4.02Å
644	L	77.9	Confident	68.5	Low	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-40.8	175	-177.8	59.5	0	0	0	112	P640 W641 Y647 M648 F913 K916 I917 I920 L928	P640-L644 PolarHBondContact O-N 3.23Å; P640-L644 VanDerWaalsContact O-N 3.1Å; W641-L644 HydrophobicContact CE3-CD2 4.44Å; W641-L644 HydrophobicContact CZ3-CD2 4.45Å; W641-L644 PolarHBondContact O-N 2.78Å; W641-L644 VanDerWaalsContact O-N 3.09Å; L644-Y647 WeakPolarHBondContact O-CB 3.44Å; L644-Y647 PolarHBondContact O-N 3.44Å; L644-M648 WeakPolarHBondContact O-CG 3.38Å; L644-M648 PolarHBondContact O-N 3.05Å; L644-F913 HydrophobicContact CB-CE2 4.05Å; L644-F913 HydrophobicContact CB-CZ 4.43Å; L644-F913 HydrophobicContact CD2-CD2 3.89Å; L644-F913 HydrophobicContact CD2-CE2 3.57Å; L644-F913 HydrophobicContact CD2-CZ 4.13Å; L644-F913 HydrophobicContact CG-CE2 4.45Å; L644-K916 HydrophobicContact CD2-CB 4.44Å; L644-K916 HydrophobicContact CD2-CD 4.03Å; L644-K916 HydrophobicContact CD2-CG 4.39Å; L644-I917 HydrophobicContact CD1-CD1 4.37Å; L644-I917 HydrophobicContact CD1-CG1 3.78Å; L644-I917 HydrophobicContact CD2-CD1 4.36Å; L644-I917 HydrophobicContact CD2-CG1 3.83Å; L644-I917 HydrophobicContact CG-CG1 4.48Å; L644-I920 HydrophobicContact CD1-CD1 3.81Å; L644-L928 HydrophobicContact CD1-CD1 4.13Å
645	D	70.1	Confident	66.4	Low	55 Å²	55	42.2 Å²	42.2	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-71.2	-32.9	178.6	-66.9	-27.6	0	0	0	111.9	W641 M648 K649 K916	W641-D645 PolarHBondContact O-N 3.38Å; D645-M648 PolarHBondContact O-N 3.15Å; D645-K649 WeakPolarHBondContact O-CB 3.43Å; D645-K649 WeakPolarHBondContact O-CD 3.39Å; D645-K649 WeakPolarHBondContact O-CG 3.4Å; D645-K649 PolarHBondContact O-N 2.9Å; D645-K916 IonicContact OD1-NZ 3.23Å; D645-K916 PolarHBondContact OD1-NZ 3.05Å
646	V	65.2	Low	64.1	Low	44 Å²	44	50.2 Å²	50.2	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-44.7	168.1	166.2	0	0	0	0	111.1	K642 M648 K649 I650	K642-V646 VanDerWaalsContact O-CG2 3.29Å; K642-V646 WeakPolarHBondContact O-CG2 3.49Å; K642-V646 PolarHBondContact O-N 3.38Å; V646-M648 PolarHBondContact O-N 3.14Å; V646-K649 PolarHBondContact O-N 3.38Å; V646-I650 HydrophobicContact CG1-CD1 3.83Å; V646-I650 WeakPolarHBondContact O-CD1 3.32Å; V646-I650 VanDerWaalsContact O-CG1 3.28Å; V646-I650 WeakPolarHBondContact O-CG1 3.49Å; V646-I650 PolarHBondContact O-N 3.21Å
647	Y	66.5	Low	61.8	Low	7 Å²	7	51.8 Å²	51.8	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-46.6	174.7	170	-87.5	0	0	0	112.1	A643 L644 I650 N651 I920 S922 T925 L928	A643-Y647 PolarHBondContact O-N 3.24Å; A643-Y647 VanDerWaalsContact O-N 3.07Å; L644-Y647 WeakPolarHBondContact O-CB 3.44Å; L644-Y647 PolarHBondContact O-N 3.44Å; Y647-I650 PolarHBondContact O-N 3.46Å; Y647-N651 WeakPolarHBondContact CE1-ND2 3.26Å; Y647-N651 PolarHBondContact O-N 2.96Å; Y647-N651 PolarHBondContact OH-ND2 3.47Å; Y647-N651 VanDerWaalsContact OH-ND2 3.09Å; Y647-I920 HydrophobicContact CD1-CD1 4.03Å; Y647-I920 HydrophobicContact CE1-CD1 3.84Å; Y647-I920 HydrophobicContact CE1-CG1 4.43Å; Y647-I920 HydrophobicContact CE1-CG2 3.55Å; Y647-I920 WeakPolarHBondContact OH-CG2 3.42Å; Y647-S922 PolarHBondContact OH-OG 3.08Å; Y647-T925 HydrophobicContact CD2-CG2 4.47Å; Y647-T925 WeakPolarHBondContact CD2-OG1 3.4Å; Y647-T925 HydrophobicContact CE2-CG2 3.75Å; Y647-T925 WeakPolarHBondContact CE2-OG1 3.35Å; Y647-L928 HydrophobicContact CD2-CB 4.48Å; Y647-L928 HydrophobicContact CE1-CD2 4.29Å; Y647-L928 HydrophobicContact CE2-CB 4.4Å; Y647-L928 HydrophobicContact CE2-CD2 4.43Å
648	M	66	Low	59.3	Low	51 Å²	51	52.7 Å²	52.7	25%	0.251	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-46.7	179.8	-69.7	-179.2	67.8	0	0	111.7	L644 D645 V646 I650 N651 D652 K916 I920	L644-M648 WeakPolarHBondContact O-CG 3.38Å; L644-M648 PolarHBondContact O-N 3.05Å; D645-M648 PolarHBondContact O-N 3.15Å; V646-M648 PolarHBondContact O-N 3.14Å; M648-I650 VanDerWaalsContact C-N 3.27Å; M648-I650 PolarHBondContact O-N 3.12Å; M648-N651 PolarHBondContact O-N 2.83Å; M648-D652 WeakPolarHBondContact O-CB 3.23Å; M648-D652 PolarHBondContact O-N 3.05Å; M648-K916 HydrophobicContact SD-CD 4.2Å; M648-K916 WeakPolarHBondContact SD-CE 3.34Å; M648-K916 HydrophobicContact SD-CG 4.4Å; M648-I920 HydrophobicContact CG-CD1 4.27Å
649	K	59.6	Low	56.8	Low	56 Å²	56	54.9 Å²	54.9	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-35.6	176.9	-73.3	169	168.7	-156.4	0	113.4	E485 D645 V646 H653	E485-K649 VanDerWaalsContact OE1-CD 3.28Å; E485-K649 WeakPolarHBondContact OE1-CD 3.38Å; E485-K649 VanDerWaalsContact OE1-CE 3.24Å; E485-K649 WeakPolarHBondContact OE1-CE 3.48Å; E485-K649 IonicContact OE1-NZ 2.78Å; E485-K649 PolarHBondContact OE1-NZ 3.17Å; E485-K649 IonicContact OE2-NZ 3.75Å; D645-K649 WeakPolarHBondContact O-CB 3.43Å; D645-K649 WeakPolarHBondContact O-CD 3.39Å; D645-K649 WeakPolarHBondContact O-CG 3.4Å; D645-K649 PolarHBondContact O-N 2.9Å; V646-K649 PolarHBondContact O-N 3.38Å; K649-H653 PolarHBondContact O-N 3.34Å; K649-H653 VanDerWaalsContact O-N 3.1Å
650	I	54.8	Low	53.9	Low	47 Å²	47	60.2 Å²	60.2	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-43.4	174.4	-72.2	164.3	0	0	0	110.8	N489 V646 Y647 M648 V654	N489-I650 HydrophobicContact CB-CG1 3.96Å; V646-I650 HydrophobicContact CG1-CD1 3.83Å; V646-I650 WeakPolarHBondContact O-CD1 3.32Å; V646-I650 VanDerWaalsContact O-CG1 3.28Å; V646-I650 WeakPolarHBondContact O-CG1 3.49Å; V646-I650 PolarHBondContact O-N 3.21Å; Y647-I650 PolarHBondContact O-N 3.46Å; M648-I650 VanDerWaalsContact C-N 3.27Å; M648-I650 PolarHBondContact O-N 3.12Å; I650-V654 VanDerWaalsContact O-CB 3.25Å; I650-V654 WeakPolarHBondContact O-CB 3.43Å; I650-V654 WeakPolarHBondContact O-CG2 3.45Å; I650-V654 PolarHBondContact O-N 3.46Å
651	N	48.9	Very low	51.1	Low	71 Å²	71	66 Å²	66	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-77.9	-35.7	-179.6	-72	-1	0	0	0	113.6	Y647 M648 S922	Y647-N651 WeakPolarHBondContact CE1-ND2 3.26Å; Y647-N651 PolarHBondContact O-N 2.96Å; Y647-N651 PolarHBondContact OH-ND2 3.47Å; Y647-N651 VanDerWaalsContact OH-ND2 3.09Å; M648-N651 PolarHBondContact O-N 2.83Å; N651-S922 PolarHBondContact ND2-OG 3.13Å
652	D	43.1	Very low	48.7	Very low	106 Å²	106	67.9 Å²	67.9	57%	0.567	36%	0.357	S	S	*	.	H	α-helix	trans	-80.8	-30.5	-175.3	-72.8	-36	0	0	0	112.8	M648	M648-D652 WeakPolarHBondContact O-CB 3.23Å; M648-D652 PolarHBondContact O-N 3.05Å
653	H	38.4	Very low	46.6	Very low	75 Å²	75	68.1 Å²	68.1	35%	0.347	36%	0.359	S	S	.	.	H	α-helix	trans	-126.6	5.5	-169.3	-65.3	-0.8	0	0	0	115	G135 L486 K649	G135-H653 PolarHBondContact N-CE1 3.42Å; G135-H653 PolarHBondContact N-NE2 3.14Å; L486-H653 WeakPolarHBondContact CD1-O 3.46Å; K649-H653 PolarHBondContact O-N 3.34Å; K649-H653 VanDerWaalsContact O-N 3.1Å
654	V	33.8	Very low	44.3	Very low	16 Å²	16	74.6 Å²	74.6	10%	0.097	39%	0.389	C	S	.	.	S	Bend	trans	-120.4	139	172.5	-160.2	0	0	0	0	109.5	L486 N489 I650	L486-V654 HydrophobicContact CD1-CG2 3.94Å; N489-V654 HydrophobicContact CB-CG2 4.45Å; I650-V654 VanDerWaalsContact O-CB 3.25Å; I650-V654 WeakPolarHBondContact O-CB 3.43Å; I650-V654 WeakPolarHBondContact O-CG2 3.45Å; I650-V654 PolarHBondContact O-N 3.46Å
655	F	36	Very low	42	Very low	64 Å²	64	79.6 Å²	79.6	28%	0.281	42%	0.419	S	S	.	.			trans	77.6	35.9	171.9	-49.3	-63.4	0	0	0	120.2	R78 E658	R78-F655 VanDerWaalsContact NH2-CE2 3.31Å; F655-E658 HydrophobicContact CD1-CB 4.09Å; F655-E658 HydrophobicContact CD1-CG 3.73Å; F655-E658 WeakPolarHBondContact CD1-OE2 3.26Å; F655-E658 HydrophobicContact CE1-CG 4.03Å; F655-E658 VanDerWaalsContact CE1-OE2 3.29Å; F655-E658 WeakPolarHBondContact CE1-OE2 3.4Å
656	N	35.4	Very low	40	Very low	174 Å²	174	82.7 Å²	82.7	93%	0.93	44%	0.435	S	S	*	.	S	Bend	trans	-80.5	5	144.8	-92.6	-38.5	0	0	0	112.6
657	L	34.2	Very low	38.3	Very low	67 Å²	67	86.2 Å²	86.2	35%	0.351	45%	0.448	S	S	.	.	S	Bend	trans	-103.6	-20.2	-178.8	-86.8	166.7	0	0	0	114.4	I82 A85 N179	I82-L657 HydrophobicContact CG2-CD1 4.38Å; A85-L657 HydrophobicContact CB-CD2 4.49Å; N179-L657 HydrophobicContact CB-CD2 3.69Å; N179-L657 WeakPolarHBondContact OD1-CD2 3.43Å
658	E	31.3	Very low	36.3	Very low	36 Å²	36	96.2 Å²	96.2	17%	0.168	49%	0.486	C	S	.	.	S	Bend	trans	-94.4	135.1	170.2	-74.4	-173.3	169.5	0	0	108	R81 F655	R81-E658 IonicContact CZ-OE1 3.89Å; R81-E658 IonicContact NH1-OE1 3.75Å; R81-E658 PolarHBondContact NH1-OE1 3.45Å; F655-E658 HydrophobicContact CD1-CB 4.09Å; F655-E658 HydrophobicContact CD1-CG 3.73Å; F655-E658 WeakPolarHBondContact CD1-OE2 3.26Å; F655-E658 HydrophobicContact CE1-CG 4.03Å; F655-E658 VanDerWaalsContact CE1-OE2 3.29Å; F655-E658 WeakPolarHBondContact CE1-OE2 3.4Å
659	T	30.4	Very low	34.5	Very low	77 Å²	77	100.8 Å²	100.8	47%	0.472	51%	0.511	S	S	.	.			trans	-72	148.2	-178.3	66.7	0	0	0	0	110	N661 E662	T659-N661 PolarHBondContact O-N 3.07Å; T659-E662 PolarHBondContact N-OE2 2.83Å; T659-E662 PolarHBondContact O-N 3.12Å
660	P	26.4	Very low	32.8	Very low	124 Å²	124	107.4 Å²	107.4	81%	0.805	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-15.2	-176.4	-29.5	36.1	0	0	0	116
661	N	27.2	Very low	31.4	Very low	127 Å²	127	112.4 Å²	112.4	68%	0.679	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-26.9	178.1	-66.2	-26.6	0	0	0	113.8	T659	T659-N661 PolarHBondContact O-N 3.07Å
662	E	31.4	Very low	30.4	Very low	96 Å²	96	116.9 Å²	116.9	45%	0.449	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-79.3	-29.4	-172.5	-69.9	177.6	127.2	0	0	112.6	T659 M664 V665 L666	T659-E662 PolarHBondContact N-OE2 2.83Å; T659-E662 PolarHBondContact O-N 3.12Å; E662-M664 PolarHBondContact O-N 2.86Å; E662-V665 PolarHBondContact O-N 3.49Å; E662-L666 PolarHBondContact O-N 3.25Å
663	H	27.8	Very low	29.4	Very low	120 Å²	120	120.6 Å²	120.6	56%	0.556	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-63.5	-12.5	176	-143.1	-51.6	0	0	0	113.6
664	M	26.3	Very low	28.9	Very low	154 Å²	154	124.3 Å²	124.3	76%	0.759	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-100.4	-7.3	174.7	-157.3	177.9	72.3	0	0	113.4	E662	E662-M664 PolarHBondContact O-N 2.86Å
665	V	29.9	Very low	28.6	Very low	104 Å²	104	130.5 Å²	130.5	63%	0.63	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-38	-179.2	178.5	0	0	0	0	111.6	E662 H667 R668	E662-V665 PolarHBondContact O-N 3.49Å; V665-H667 PolarHBondContact O-N 3.31Å; V665-H667 VanDerWaalsContact O-N 3.08Å; V665-R668 PolarHBondContact O-N 2.73Å
666	L	28	Very low	28	Very low	120 Å²	120	134.1 Å²	134.1	63%	0.628	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	5.1	-179.6	-75.6	162.2	0	0	0	114.9	E662	E662-L666 PolarHBondContact O-N 3.25Å
667	H	29	Very low	27.6	Very low	118 Å²	118	135.3 Å²	135.3	55%	0.546	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.8	35.1	177.7	-73.5	-24.8	0	0	0	112.7	K607 V665	K607-H667 PolarHBondContact NZ-CD2 3.13Å; K607-H667 PolarHBondContact NZ-CE1 2.95Å; K607-H667 VanDerWaalsContact NZ-CE1 3.3Å; K607-H667 PolarHBondContact NZ-NE2 2.92Å; V665-H667 PolarHBondContact O-N 3.31Å; V665-H667 VanDerWaalsContact O-N 3.08Å
668	R	24.5	Very low	27	Very low	218 Å²	218	138.1 Å²	138.1	82%	0.823	71%	0.705	S	S	*	*			trans	-93.9	114	152.1	-92.6	-174.7	167.5	148.4	-0.6	108.8	V665	V665-R668 PolarHBondContact O-N 2.73Å
669	D	27.1	Very low	26.8	Very low	147 Å²	147	143.1 Å²	143.1	79%	0.786	74%	0.739	S	S	*	*			trans	-62.6	141.1	165.9	-55.5	-62.9	0	0	0	109.4	D671	D669-D671 PolarHBondContact O-N 2.85Å
670	E	23.8	Very low	26.4	Very low	195 Å²	195	147.2 Å²	147.2	91%	0.911	76%	0.757	S	S	*	*	S	Bend	trans	-80.2	42.8	-177.3	-68.1	-162.4	117.4	0	0	113.4
671	D	26.1	Very low	26.4	Very low	152 Å²	152	147 Å²	147	81%	0.813	75%	0.753	S	S	*	*			trans	-121.2	66.5	177.2	-90.9	-43.5	0	0	0	111.4	D669	D669-D671 PolarHBondContact O-N 2.85Å
672	D	27.3	Very low	26.2	Very low	165 Å²	165	147.6 Å²	147.6	88%	0.882	76%	0.756	S	S	*	*			trans	-176.2	85.4	140.8	-107	-24.5	0	0	0	111.9
673	Q	23.1	Very low	26	Very low	183 Å²	183	150.8 Å²	150.8	86%	0.855	77%	0.771	S	S	*	*			trans	-101.1	105.9	158	-75.4	-167.1	32.1	0	0	110
674	I	27.7	Very low	26	Very low	153 Å²	153	152.7 Å²	152.7	79%	0.785	78%	0.778	S	S	*	*			trans	-159.5	128.3	150.2	-106.9	147.4	0	0	0	112.9
675	N	27.4	Very low	25.9	Very low	146 Å²	146	152.1 Å²	152.1	78%	0.781	77%	0.774	S	S	*	*			trans	46.9	95.9	160.4	-65.5	-35.4	0	0	0	120.6	K677	N675-K677 PolarHBondContact O-N 3.41Å
676	V	23.7	Very low	25.8	Very low	140 Å²	140	155.3 Å²	155.3	85%	0.848	78%	0.781	S	S	*	*			trans	-66.9	123.8	142.8	174.7	0	0	0	0	109.5
677	K	26.2	Very low	25.8	Very low	199 Å²	199	157.2 Å²	157.2	87%	0.865	79%	0.787	S	S	*	*			trans	-152.4	123.8	156.6	-133.3	173.8	-173.1	176.7	0	112.9	N675	N675-K677 PolarHBondContact O-N 3.41Å
678	T	23.3	Very low	25.6	Very low	126 Å²	126	161.3 Å²	161.3	77%	0.773	80%	0.799	S	S	*	*			trans	-86.2	130.1	-171.2	-37	0	0	0	0	112.7
679	T	25.5	Very low	25.6	Very low	142 Å²	142	159.4 Å²	159.4	87%	0.871	80%	0.8	S	S	*	*			trans	-152.2	156.5	155	5.7	0	0	0	0	110.4
680	L	22.6	Very low	25.5	Very low	162 Å²	162	158.7 Å²	158.7	85%	0.848	80%	0.795	S	S	*	*			trans	-103	-176.5	-174.3	-70.2	138.8	0	0	0	111.5
681	V	25.6	Very low	25.6	Very low	121 Å²	121	155.6 Å²	155.6	73%	0.733	79%	0.789	S	S	*	*			trans	103.1	94.6	153.1	-172.3	0	0	0	0	117.3
682	D	24.3	Very low	25.6	Very low	138 Å²	138	154.6 Å²	154.6	74%	0.738	78%	0.783	S	S	*	*				84.4	140.4	127.7	-60.6	0.5	0	0	0	125.8
683	E	27.5	Very low	25.6	Very low	164 Å²	164	156.5 Å²	156.5	77%	0.766	78%	0.778	S	S	*	*			trans	70.4	116.3	149.2	-73.2	-174.9	162	0	0	120.1
684	K	26.8	Very low	25.6	Very low	159 Å²	159	156.2 Å²	156.2	69%	0.691	77%	0.774	S	S	*	*				92.9	148	67.5	-89.7	-171	178.1	-95.1	0	112.1
685	E	25.3	Very low	25.5	Very low	143 Å²	143	157 Å²	157	67%	0.668	77%	0.774	S	S	*	*			cis	-166.4	-161.7	-19.9	-145.4	164.5	-167.2	0	0	108.2
686	E	28.1	Very low	25.4	Very low	170 Å²	170	155.8 Å²	155.8	79%	0.794	77%	0.773	S	S	*	*			trans	72.3	145.8	166.2	-56.9	-178.3	174.1	0	0	118.6
687	E	27.1	Very low	25.3	Very low	160 Å²	160	154.7 Å²	154.7	75%	0.748	77%	0.766	S	S	*	*			cis	-152.1	134.7	-24.4	-98.5	-161.7	134.6	0	0	107
688	Y	25	Very low	25.3	Very low	204 Å²	204	152.4 Å²	152.4	80%	0.8	76%	0.76	S	S	*	*				83.4	125.7	61.9	-89.6	-72.9	0	0	0	116.7
689	E	24.4	Very low	25.3	Very low	179 Å²	179	153.2 Å²	153.2	84%	0.836	76%	0.755	S	S	*	*				-162.2	142.6	126.1	-162.9	167.2	-148.9	0	0	111.5
690	I	24.1	Very low	25.2	Very low	132 Å²	132	154.2 Å²	154.2	68%	0.677	76%	0.755	S	S	*	*			trans	-149.7	146.2	179.8	-64.6	179.1	0	0	0	109.8
691	T	26.8	Very low	25.5	Very low	129 Å²	129	155.2 Å²	155.2	79%	0.791	76%	0.756	S	S	*	*			trans	-149.4	97.1	164.6	-3.4	0	0	0	0	116.5
692	N	26.4	Very low	25.5	Very low	131 Å²	131	157.3 Å²	157.3	70%	0.701	76%	0.757	S	S	*	*				14.9	152	126	-77.4	-57.5	0	0	0	121.3
693	R	26.9	Very low	25.6	Very low	206 Å²	206	157.6 Å²	157.6	78%	0.777	76%	0.755	S	S	*	*			cis	174	161	-3.2	-178.9	-174.1	176.1	178.5	3.5	111.8
694	K	24.2	Very low	25.5	Very low	177 Å²	177	156.4 Å²	156.4	77%	0.77	75%	0.749	S	S	*	*			trans	111.6	149.2	151.8	-64.7	-162.3	176.7	-171.1	0	120.4
695	E	24.8	Very low	25.4	Very low	168 Å²	168	155.9 Å²	155.9	79%	0.785	75%	0.749	S	S	*	*			trans	-85.7	175.7	172.1	-50.5	127	114.7	0	0	112.3
696	T	24	Very low	25.5	Very low	122 Å²	122	157.8 Å²	157.8	75%	0.748	76%	0.758	S	S	*	*			cis	-175.7	158.2	47.8	1.1	0	0	0	0	113.4
697	V	23.2	Very low	25.2	Very low	116 Å²	116	159.2 Å²	159.2	70%	0.703	76%	0.762	S	S	*	*			trans	81.5	144.6	144.1	164.9	0	0	0	0	122.7
698	M	25	Very low	25	Very low	151 Å²	151	161.4 Å²	161.4	74%	0.744	77%	0.769	S	S	*	*			trans	78	124.1	-179.3	-47.1	-144	-47.2	0	0	117.2
699	E	23.3	Very low	25.1	Very low	143 Å²	143	155.8 Å²	155.8	67%	0.668	76%	0.764	S	S	*	*			cis	86.4	123.1	28	-58	126.4	64.1	0	0	112.8
700	D	24.6	Very low	25.1	Very low	164 Å²	164	152 Å²	152	88%	0.877	76%	0.758	S	S	*	*			cis	-119.8	-119.6	2.1	-71.7	-52.5	0	0	0	115.4
701	E	28.6	Very low	25.2	Very low	182 Å²	182	151.2 Å²	151.2	85%	0.85	76%	0.759	S	S	*	*			cis	-158.6	166.2	15.8	-166.5	171.2	-116.9	0	0	112.6
702	E	25.5	Very low	25.1	Very low	165 Å²	165	149.6 Å²	149.6	77%	0.771	75%	0.753	S	S	*	*			trans	-4.1	133	173.3	-71.4	-174.4	171.8	0	0	124.8
703	E	25.5	Very low	25.1	Very low	145 Å²	145	150.2 Å²	150.2	68%	0.678	76%	0.756	S	S	*	*				70.3	152.9	89.5	-87.8	-151.4	149.4	0	0	116.8
704	Q	26.6	Very low	25.1	Very low	139 Å²	139	146.2 Å²	146.2	65%	0.65	75%	0.75	S	S	*	*			cis	-162.5	144.5	27.8	-150.1	167.3	75.8	0	0	113.6
705	Q	24.8	Very low	25.2	Very low	147 Å²	147	143.7 Å²	143.7	69%	0.687	75%	0.745	S	S	*	*			trans	37.9	147	143.8	-60.1	173.8	33.4	0	0	122.7
706	Q	26.1	Very low	25.2	Very low	184 Å²	184	143.6 Å²	143.6	86%	0.86	74%	0.744	S	S	*	*				-156.1	165.7	57.8	-84.6	-169.1	-1.2	0	0	116.2
707	F	21.4	Very low	25.2	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.873	75%	0.746	S	S	*	*			trans	-114.7	142.9	-176.3	-120.5	-96.5	0	0	0	112.6
708	K	24.2	Very low	25.3	Very low	206 Å²	206	148.9 Å²	148.9	90%	0.896	75%	0.754	S	S	*	*			trans	162.9	144.4	147.9	-93.8	156.8	-173.5	173.9	0	111.1
709	A	26.4	Very low	25.1	Very low	86 Å²	86	147.1 Å²	147.1	71%	0.711	76%	0.756	S	S	*	*			cis	-154.8	165.3	-4.4	0	0	0	0	0	112.6
710	S	24.1	Very low	25	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	76%	0.764	S	S	*	*			trans	-12	160.5	161.4	62.6	0	0	0	0	120.7
711	T	26.6	Very low	25.1	Very low	117 Å²	117	148.9 Å²	148.9	72%	0.718	76%	0.762	S	S	*	*			cis	-169.5	142.2	45.9	-25.1	0	0	0	0	114.4
712	S	24.1	Very low	24.8	Very low	95 Å²	95	147.5 Å²	147.5	66%	0.664	76%	0.76	S	S	*	*			trans	55.3	146.1	136.4	61.1	0	0	0	0	122.9
713	L	28.1	Very low	24.7	Very low	144 Å²	144	148.3 Å²	148.3	75%	0.754	76%	0.764	S	S	*	*			cis	-151.3	158	2.8	-88.1	122.2	0	0	0	109.5
714	N	26.6	Very low	24.6	Very low	122 Å²	122	150.3 Å²	150.3	65%	0.652	77%	0.771	S	S	*	*			trans	54.2	144.8	142.2	-70.8	46.8	0	0	0	121.9
715	D	26.1	Very low	24.5	Very low	124 Å²	124	151.7 Å²	151.7	66%	0.663	78%	0.781	S	S	*	*			cis	-144.4	124	-11.2	-83	-38.3	0	0	0	106.4
716	E	24.6	Very low	24.4	Very low	165 Å²	165	150.6 Å²	150.6	77%	0.771	79%	0.79	S	S	*	*				70.5	90.5	81.1	-165.1	175.1	-99.6	0	0	114.4
717	F	23.5	Very low	24.3	Very low	181 Å²	181	146.5 Å²	146.5	79%	0.794	78%	0.782	S	S	*	*				172.8	102.9	128.9	-110.4	-84.1	0	0	0	111.6
718	I	24.7	Very low	24.5	Very low	169 Å²	169	146.3 Å²	146.3	87%	0.867	78%	0.784	S	S	*	*			trans	-174.2	112.7	142.4	-95.5	153.5	0	0	0	106.3
719	S	21	Very low	24.4	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	78%	0.78	S	S	*	*			trans	-156.6	68.9	175.6	64.3	0	0	0	0	110.6
720	M	23	Very low	24.2	Very low	169 Å²	169	146.9 Å²	146.9	83%	0.833	78%	0.784	S	S	*	*			trans	-165.9	164.8	167.3	-110.9	163.6	63.1	0	0	109.3
721	E	25.3	Very low	24.4	Very low	176 Å²	176	150 Å²	150	82%	0.822	79%	0.793	S	S	*	*			trans	63	75.4	174.5	-60	-171.7	154.9	0	0	116.4
722	N	23.4	Very low	24.5	Very low	153 Å²	153	149.7 Å²	149.7	82%	0.818	79%	0.791	S	S	*	*			trans	-149.6	50	141.1	-112.6	-41.3	0	0	0	111.5
723	E	21.9	Very low	24.6	Very low	182 Å²	182	155.6 Å²	155.6	85%	0.85	81%	0.805	S	S	*	*	S	Bend	trans	-141.8	44.9	178	-159.7	179.1	-152.8	0	0	112
724	F	24.8	Very low	24.7	Very low	187 Å²	187	155 Å²	155	82%	0.82	81%	0.811	S	S	*	*			trans	-159.5	81.3	171.6	-128.1	-79	0	0	0	113.1
725	L	24.7	Very low	24.9	Very low	167 Å²	167	154.7 Å²	154.7	87%	0.874	81%	0.814	S	S	*	*	S	Bend	trans	-178.2	70.9	141.4	-121.9	73.7	0	0	0	113.8
726	S	22	Very low	25.1	Very low	125 Å²	125	155.7 Å²	155.7	87%	0.874	82%	0.819	S	S	*	*	S	Bend	trans	-153.8	24.6	164.1	58.1	0	0	0	0	114.6
727	S	24	Very low	25.4	Very low	98 Å²	98	154.9 Å²	154.9	69%	0.685	82%	0.82	S	S	*	*			trans	-148.2	47.6	-167.9	52.4	0	0	0	0	115.5
728	Q	25.5	Very low	25.7	Very low	195 Å²	195	152.1 Å²	152.1	91%	0.911	82%	0.818	S	S	*	*			trans	-134.9	66.9	155.9	-77.5	-151.5	-9.1	0	0	112.3
729	L	22.5	Very low	26	Very low	154 Å²	154	151.3 Å²	151.3	81%	0.806	82%	0.815	S	S	*	*	S	Bend	trans	-135	110	159.6	-111.4	167	0	0	0	108.2
730	N	22.9	Very low	26.4	Very low	150 Å²	150	152.4 Å²	152.4	80%	0.802	82%	0.821	S	S	*	*			trans	56.7	104.4	179.4	-59	-22.4	0	0	0	116.5
731	D	27.7	Very low	26.5	Very low	164 Å²	164	151.7 Å²	151.7	88%	0.877	82%	0.82	S	S	*	*			trans	-127.3	134.7	146.9	-148.7	-19.4	0	0	0	109.5
732	T	27.5	Very low	26.6	Very low	111 Å²	111	149.6 Å²	149.6	68%	0.681	81%	0.814	S	S	*	*			trans	-103.4	109.7	-160.8	44.8	0	0	0	0	113.5	C734	T732-C734 PolarHBondContact O-N 2.89Å
733	F	26.9	Very low	26.7	Very low	219 Å²	219	149.5 Å²	149.5	96%	0.961	81%	0.808	S	S	*	*			trans	-89.2	82.7	166.7	-106.3	-81.4	0	0	0	112.2
734	C	30.3	Very low	26.9	Very low	130 Å²	130	146.6 Å²	146.6	88%	0.878	80%	0.798	S	S	*	*			trans	-173.3	85.5	150.6	-113.8	0	0	0	0	111.2	T732	T732-C734 PolarHBondContact O-N 2.89Å
735	V	31.3	Very low	26.7	Very low	117 Å²	117	142.4 Å²	142.4	71%	0.709	79%	0.792	S	S	*	*			trans	-112.4	132.5	170.4	177	0	0	0	0	109.7
736	N	30.8	Very low	26.7	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	79%	0.79	S	S	*	*	S	Bend	trans	73.2	124.7	179.3	-62.7	-27.7	0	0	0	118.5
737	N	30.1	Very low	26.8	Very low	147 Å²	147	144 Å²	144	79%	0.786	78%	0.782	S	S	*	*	S	Bend	trans	71.5	99.8	163.3	-64.9	-15.3	0	0	0	120.3
738	T	30	Very low	26.9	Very low	123 Å²	123	150.4 Å²	150.4	76%	0.755	79%	0.791	S	S	*	*			trans	72.4	118.1	145.3	55.5	0	0	0	0	120.3
739	N	29.7	Very low	26.8	Very low	152 Å²	152	149.2 Å²	149.2	81%	0.813	78%	0.783	S	S	*	*			trans	63.6	102.7	151.6	-59.1	-13.8	0	0	0	119.4
740	C	31	Very low	27	Very low	136 Å²	136	148.7 Å²	148.7	92%	0.919	78%	0.781	S	S	*	*				-153.3	157.5	114.8	-100.4	0	0	0	0	111
741	L	25.6	Very low	27.1	Very low	154 Å²	154	148 Å²	148	81%	0.806	78%	0.775	S	S	*	*			trans	-144.7	148.2	-171	-88.4	166.6	0	0	0	111.5
742	I	26.7	Very low	26.9	Very low	133 Å²	133	147.8 Å²	147.8	68%	0.682	77%	0.773	S	S	*	*			trans	84.3	115.7	140.5	-80.4	168.3	0	0	0	120.8
743	Q	26.2	Very low	26.8	Very low	151 Å²	151	153.2 Å²	153.2	71%	0.706	78%	0.781	S	S	*	*			trans	77.4	120.3	138.3	-71	-175	-89.9	0	0	125
744	D	24.4	Very low	26.6	Very low	121 Å²	121	147.8 Å²	147.8	65%	0.647	77%	0.77	S	S	*	*				70.7	110.3	119.9	-54.2	-11.6	0	0	0	123.6
745	S	22	Very low	26.4	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	77%	0.769	S	S	*	*			trans	41.8	120.1	136	67.8	0	0	0	0	121.2
746	F	24.2	Very low	26.1	Very low	190 Å²	190	150.3 Å²	150.3	83%	0.833	78%	0.775	S	S	*	*				-174.1	154.6	100.7	-118.6	-102.4	0	0	0	112.9
747	L	23.9	Very low	25.7	Very low	134 Å²	134	149.1 Å²	149.1	70%	0.702	78%	0.778	S	S	*	*			trans	48	93.4	154.2	-136.7	76.9	0	0	0	120.2	K749	L747-K749 PolarHBondContact O-N 3.18Å
748	R	25.8	Very low	25.5	Very low	233 Å²	233	147.3 Å²	147.3	88%	0.879	78%	0.777	S	S	*	*			trans	-76.9	103.3	156.4	-88.7	-169.2	175.4	-169	0.3	110.9
749	K	23.3	Very low	25.3	Very low	171 Å²	171	147.3 Å²	147.3	74%	0.743	78%	0.782	S	S	*	*			trans	-87.9	116.2	149.3	-80.5	-171.3	172.9	-173.3	0	108.3	L747 I751	L747-K749 PolarHBondContact O-N 3.18Å; K749-I751 PolarHBondContact O-N 3.04Å
750	L	26	Very low	25.1	Very low	143 Å²	143	149.5 Å²	149.5	75%	0.749	79%	0.785	S	S	*	*			trans	-76.6	108.8	165	-111.7	75.1	0	0	0	108.6
751	I	25	Very low	24.8	Very low	134 Å²	134	148.6 Å²	148.6	69%	0.687	77%	0.774	S	S	*	*			trans	-100.2	109.7	162.3	-67.4	173.6	0	0	0	105.9	K749 R753	K749-I751 PolarHBondContact O-N 3.04Å; I751-R753 PolarHBondContact O-N 2.99Å
752	I	24.8	Very low	24.8	Very low	160 Å²	160	147.2 Å²	147.2	82%	0.821	77%	0.768	S	S	*	*			trans	-68.3	106.2	169.3	-62.7	176.5	0	0	0	107
753	R	24	Very low	24.9	Very low	225 Å²	225	147 Å²	147	85%	0.849	77%	0.768	S	S	*	*			trans	-111.2	105.2	171	-128	-178.4	-174.1	-179.7	2.2	108.2	I751 T755	I751-R753 PolarHBondContact O-N 2.99Å; R753-T755 PolarHBondContact O-N 2.76Å
754	S	22.7	Very low	25	Very low	105 Å²	105	148.3 Å²	148.3	73%	0.734	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-61	117.4	174.8	40.4	0	0	0	0	110.5
755	T	26.7	Very low	25.3	Very low	141 Å²	141	147.6 Å²	147.6	87%	0.865	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-77.8	125.4	165.7	33.8	0	0	0	0	109.2	R753	R753-T755 PolarHBondContact O-N 2.76Å
756	L	24.9	Very low	25.5	Very low	159 Å²	159	151 Å²	151	83%	0.832	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.6	148.7	-176.3	-69.2	70.9	0	0	0	111.1
757	S	22.6	Very low	25.8	Very low	121 Å²	121	148.5 Å²	148.5	85%	0.846	78%	0.779	S	S	*	*			trans	-137.6	102.1	148.7	-172.5	0	0	0	0	110
758	S	25.2	Very low	25.7	Very low	109 Å²	109	148.3 Å²	148.3	76%	0.762	78%	0.783	S	S	*	*			trans	-163.7	84.9	162.5	51.5	0	0	0	0	110.9
759	S	26.8	Very low	26.2	Very low	123 Å²	123	142.3 Å²	142.3	86%	0.86	78%	0.775	S	S	*	*			trans	-89.5	139.1	159.3	42.6	0	0	0	0	109.9
760	K	24.4	Very low	26.3	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	78%	0.775	S	S	*	*			trans	-115.7	153	171.2	-89.9	-167.1	178	-171.1	0	107
761	V	25.7	Very low	26.5	Very low	116 Å²	116	140.4 Å²	140.4	70%	0.703	77%	0.772	S	S	*	*			cis	-155.5	-167.1	-13.9	100.5	0	0	0	0	106.5
762	N	26.4	Very low	26.6	Very low	125 Å²	125	142.5 Å²	142.5	67%	0.668	78%	0.776	S	S	*	*			trans	86	132.6	-178.5	-59.1	60.2	0	0	0	114.4
763	D	28.6	Very low	26.7	Very low	129 Å²	129	141.4 Å²	141.4	69%	0.69	77%	0.772	S	S	*	*			cis	-153.5	156.7	-9.3	-97.9	-29.5	0	0	0	112.5
764	E	27.6	Very low	26.8	Very low	178 Å²	178	140 Å²	140	83%	0.832	77%	0.773	S	S	*	*			trans	58.2	133.5	153.9	-64.5	-174.5	153.3	0	0	125.2
765	S	29.7	Very low	26.9	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	78%	0.778	S	S	*	*			trans	57.7	101.9	146.1	63.8	0	0	0	0	123.2
766	E	27.8	Very low	26.9	Very low	171 Å²	171	139 Å²	139	80%	0.799	77%	0.769	S	S	*	*				49.7	141.8	114.8	-70.6	-165	173.8	0	0	125
767	N	29.2	Very low	27	Very low	137 Å²	137	136.9 Å²	136.9	73%	0.733	77%	0.767	S	S	*	*			trans	77.4	102.5	149.3	-60.2	-29.7	0	0	0	121.1
768	T	23.2	Very low	27.2	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	76%	0.764	S	S	*	*			trans	-59.9	169.2	144.8	48.7	0	0	0	0	111.6
769	P	34.6	Very low	27.1	Very low	107 Å²	107	136 Å²	136	70%	0.695	76%	0.762	S	S	*	*			cis	-140.8	174.9	17.5	43.7	-25.3	0	0	0	118.7
770	D	26.9	Very low	27.1	Very low	140 Å²	140	137.8 Å²	137.8	75%	0.749	76%	0.76	S	S	*	*			trans	88.7	127.5	136.2	-85.1	-29.7	0	0	0	126
771	I	30	Very low	27	Very low	134 Å²	134	135.5 Å²	135.5	69%	0.687	76%	0.755	S	S	*	*			trans	80.8	95.3	140.7	-63	165.5	0	0	0	120.5
772	K	27.6	Very low	27	Very low	178 Å²	178	137.5 Å²	137.5	77%	0.774	76%	0.761	S	S	*	*			trans	59.7	114.7	133.2	-61.8	-179.9	-178.4	175.5	0	121.5
773	N	26	Very low	27	Very low	138 Å²	138	136 Å²	136	74%	0.738	76%	0.756	S	S	*	*				44.6	120.1	129.4	-52.7	2.9	0	0	0	120.2
774	F	26.8	Very low	26.9	Very low	196 Å²	196	136.2 Å²	136.2	86%	0.86	76%	0.758	S	S	*	*				-168.5	166.3	92.8	-117.6	-88.7	0	0	0	113.1
775	N	24.5	Very low	26.7	Very low	159 Å²	159	135.3 Å²	135.3	85%	0.85	75%	0.753	S	S	*	*			trans	-83.9	158	-177	-66.4	-37.9	0	0	0	114.1
776	G	26.2	Very low	26.5	Very low	65 Å²	65	136.5 Å²	136.5	67%	0.67	75%	0.75	S	S	*	*			trans	-170.5	123.3	163.6	0	0	0	0	0	115.5
777	S	27.4	Very low	26.4	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	75%	0.747	S	S	*	*			trans	54.3	118.5	168	48.1	0	0	0	0	118.6
778	S	26.3	Very low	26.3	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	75%	0.746	S	S	*	*				68.8	137.7	53.5	81.4	0	0	0	0	114.6
779	S	23.2	Very low	26.5	Very low	103 Å²	103	136 Å²	136	72%	0.72	74%	0.74	S	S	*	*			cis	-176.2	165.4	-10.6	47.7	0	0	0	0	108.8
780	I	26.7	Very low	26.2	Very low	160 Å²	160	135.7 Å²	135.7	82%	0.821	74%	0.735	S	S	*	*			trans	163.1	147.5	142	-87	158.9	0	0	0	110.4
781	I	22.2	Very low	26.2	Very low	149 Å²	149	140.1 Å²	140.1	76%	0.764	74%	0.742	S	S	*	*			trans	-113.9	139.4	-178.6	-63.1	163.6	0	0	0	109
782	L	26	Very low	26.1	Very low	158 Å²	158	139.3 Å²	139.3	83%	0.827	74%	0.743	S	S	*	*			trans	-153.7	90.5	156.4	-128.4	120.7	0	0	0	113.8
783	T	27.5	Very low	26.2	Very low	93 Å²	93	137 Å²	137	57%	0.571	74%	0.738	S	S	*	*			trans	33.8	121.8	133.6	57.4	0	0	0	0	121.9
784	D	26	Very low	26.3	Very low	135 Å²	135	138.6 Å²	138.6	72%	0.722	74%	0.741	S	S	*	*				62.3	113.1	120.3	-61.3	-50.9	0	0	0	123.6
785	Q	23.8	Very low	26.4	Very low	158 Å²	158	134.2 Å²	134.2	74%	0.738	74%	0.735	S	S	*	*				71.2	151.3	115.7	-64.5	-117.3	-13.8	0	0	123.5
786	I	25.4	Very low	26.7	Very low	132 Å²	132	131.3 Å²	131.3	68%	0.677	73%	0.727	S	S	*	*			trans	89.1	136.3	140.2	-87.6	160.8	0	0	0	120.2
787	K	26	Very low	26.9	Very low	169 Å²	169	136.5 Å²	136.5	74%	0.735	73%	0.734	S	S	*	*			trans	76.5	139.3	162.1	-83.7	159.3	-179	178.9	0	120.8
788	E	26.6	Very low	26.9	Very low	152 Å²	152	135.8 Å²	135.8	71%	0.71	73%	0.729	S	S	*	*			cis	-170.8	157	-24.2	-122.7	175.1	-154	0	0	111.5
789	T	26.4	Very low	27	Very low	107 Å²	107	137.7 Å²	137.7	66%	0.656	73%	0.729	S	S	*	*			trans	42	134.3	145.6	-21	0	0	0	0	119.5
790	T	29	Very low	27.1	Very low	99 Å²	99	138.6 Å²	138.6	61%	0.607	73%	0.73	S	S	*	*				179.6	119.2	63.1	-50.6	0	0	0	0	115
791	R	27.1	Very low	27.6	Very low	234 Å²	234	136.5 Å²	136.5	88%	0.883	73%	0.727	S	S	*	*			trans	64.4	160.2	149.7	-65.9	177.5	-174.3	153.6	1.9	118.7
792	V	28.7	Very low	28.3	Very low	117 Å²	117	134.8 Å²	134.8	71%	0.709	73%	0.725	S	S	*	*			cis	-155.3	156.5	8.3	93.3	0	0	0	0	115.1
793	L	28.1	Very low	28.3	Very low	129 Å²	129	132 Å²	132	68%	0.675	72%	0.72	S	S	*	*			trans	66.4	125.5	157.6	-68.4	172.1	0	0	0	124.4
794	Q	28.6	Very low	28.2	Very low	171 Å²	171	133.1 Å²	133.1	80%	0.799	73%	0.731	S	S	*	*			trans	64.1	134.1	139.2	-70.3	165.6	-27.8	0	0	119.8
795	S	29.5	Very low	28.5	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	73%	0.732	S	S	*	*			cis	-156.7	158.8	22.4	46.6	0	0	0	0	114.5
796	S	31.1	Very low	28.6	Very low	98 Å²	98	135.7 Å²	135.7	69%	0.685	74%	0.738	S	S	*	*			trans	20.9	145.4	154.2	58.1	0	0	0	0	122.6
797	E	28.5	Very low	28.5	Very low	174 Å²	174	133.7 Å²	133.7	81%	0.813	74%	0.736	S	S	*	*			cis	-168.1	130.8	-7.5	-100.1	164.9	-175.4	0	0	103.9
798	S	28.5	Very low	28.5	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	74%	0.74	S	S	*	*			cis	85.6	140.6	37.8	76.4	0	0	0	0	115.8
799	I	29.2	Very low	28.5	Very low	151 Å²	151	132.3 Å²	132.3	77%	0.774	74%	0.741	S	S	*	*			cis	-177.3	142.6	-35.2	-110.6	162.7	0	0	0	108.6
800	T	25.1	Very low	28.5	Very low	122 Å²	122	131.8 Å²	131.8	75%	0.748	74%	0.741	S	S	*	*			trans	31.3	152.5	160.9	63	0	0	0	0	124.8
801	P	36.5	Very low	28.3	Very low	115 Å²	115	133.7 Å²	133.7	75%	0.747	75%	0.752	S	S	*	*			trans	-82.3	176.1	169.5	42.9	-41.9	0	0	0	111.8
802	P	36.2	Very low	28.3	Very low	113 Å²	113	125.8 Å²	125.8	73%	0.734	74%	0.744	S	S	*	*				-156.4	-171	68.7	42.9	-19.9	0	0	0	118.5
803	S	25.6	Very low	28.2	Very low	101 Å²	101	126 Å²	126	71%	0.706	75%	0.745	S	S	*	*			trans	68.3	111.3	157.1	53.7	0	0	0	0	122.4
804	S	25.3	Very low	28.2	Very low	115 Å²	115	125.5 Å²	125.5	80%	0.804	75%	0.752	S	S	*	*			trans	15.5	166.7	139.5	75.5	0	0	0	0	123.5
805	P	32.6	Very low	28.1	Very low	114 Å²	114	122.8 Å²	122.8	74%	0.74	74%	0.743	S	S	*	*			cis	-131	180	-3	42.1	-26.5	0	0	0	116.1
806	R	26.3	Very low	28	Very low	233 Å²	233	123.8 Å²	123.8	88%	0.879	74%	0.739	S	S	*	*			trans	64.8	108	159.3	-95.9	-176	168.1	143.7	-0.6	120.6
807	S	24.5	Very low	27.8	Very low	91 Å²	91	127.8 Å²	127.8	64%	0.636	74%	0.739	S	S	*	*			trans	-2.1	134.7	131.3	57.6	0	0	0	0	117.3
808	E	25.8	Very low	27.8	Very low	172 Å²	172	125.3 Å²	125.3	80%	0.804	73%	0.73	S	S	*	*				-159.5	142.4	72.8	-97.8	174.3	-159.7	0	0	115.4
809	T	26.1	Very low	27.8	Very low	120 Å²	120	127.9 Å²	127.9	74%	0.736	74%	0.737	S	S	*	*			trans	11.5	152	138.3	47.2	0	0	0	0	122.4
810	S	25.6	Very low	27.7	Very low	95 Å²	95	129.9 Å²	129.9	66%	0.664	74%	0.739	S	S	*	*			cis	-178.2	149.8	-9	52.8	0	0	0	0	113.3
811	V	26.3	Very low	27.8	Very low	139 Å²	139	131.1 Å²	131.1	84%	0.842	74%	0.742	S	S	*	*			trans	48.7	132.3	131.4	178.6	0	0	0	0	121.4	V813	V811-V813 HydrophobicContact CG1-CG2 4.28Å
812	G	26.8	Very low	27.4	Very low	68 Å²	68	136.9 Å²	136.9	70%	0.701	75%	0.749	S	S	*	*				144.7	174.1	128.5	0	0	0	0	0	117.6
813	V	26.9	Very low	26.8	Very low	121 Å²	121	137 Å²	137	73%	0.733	75%	0.752	S	S	*	*			cis	-168.4	153.7	-18.8	128.9	0	0	0	0	107.7	V811	V811-V813 HydrophobicContact CG1-CG2 4.28Å
814	S	27.5	Very low	26.9	Very low	119 Å²	119	137.6 Å²	137.6	83%	0.832	76%	0.756	S	S	*	*			trans	-167.4	133.1	146.3	37.9	0	0	0	0	109.4
815	D	27.1	Very low	26.9	Very low	114 Å²	114	139.1 Å²	139.1	61%	0.61	75%	0.754	S	S	*	*			cis	-138.6	-158.6	-17.1	-157.6	7.1	0	0	0	105.5
816	I	27	Very low	26.6	Very low	126 Å²	126	141.5 Å²	141.5	65%	0.646	76%	0.755	S	S	*	*			cis	-160.9	138	8.2	-144	142.1	0	0	0	103.3
817	R	26.9	Very low	26.4	Very low	183 Å²	183	136.1 Å²	136.1	69%	0.691	75%	0.748	S	S	*	*			cis	-143	165.7	-0	-105.2	-170.8	159.2	66.1	6.1	107.1
818	I	28.6	Very low	26.7	Very low	122 Å²	122	137.2 Å²	137.2	63%	0.626	75%	0.753	S	S	*	*				63.7	125.5	57	-53.9	177.5	0	0	0	110.6
819	D	27.8	Very low	26.6	Very low	152 Å²	152	135.2 Å²	135.2	81%	0.813	75%	0.752	S	S	*	*				-153.2	178.4	55.7	-141.3	-30.7	0	0	0	116.7
820	K	27.7	Very low	26.7	Very low	192 Å²	192	137.4 Å²	137.4	84%	0.835	75%	0.754	S	S	*	*			trans	-152.7	120.4	-173.6	-167.1	-178.6	-168.5	176.1	0	113.5
821	N	26.3	Very low	26.8	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	75%	0.753	S	S	*	*			trans	-137.9	121.8	160.5	-96.2	-50.5	0	0	0	107.5
822	R	28	Very low	26.9	Very low	236 Å²	236	137.7 Å²	137.7	89%	0.891	75%	0.748	S	S	*	*				89.1	145.7	63.3	-153.5	170.9	-165.6	-178.6	4.1	111.7
823	S	24.9	Very low	26.9	Very low	114 Å²	114	145.2 Å²	145.2	80%	0.797	76%	0.755	S	S	*	*			trans	-132.8	142	-131	53.7	0	0	0	0	118.1
824	S	26.7	Very low	26.9	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	75%	0.754	S	S	*	*			trans	-173.1	148.8	175	49.2	0	0	0	0	111.2
825	I	24.8	Very low	26.7	Very low	147 Å²	147	147.2 Å²	147.2	75%	0.754	76%	0.755	S	S	*	*			cis	-167	164.8	-20.5	-134.5	167.7	0	0	0	109.9
826	Q	27.6	Very low	26.5	Very low	164 Å²	164	147.1 Å²	147.1	77%	0.766	76%	0.755	S	S	*	*			trans	57.7	116.2	164.4	-80.3	166.2	-31.9	0	0	122.3
827	T	22.2	Very low	26.5	Very low	121 Å²	121	149.4 Å²	149.4	74%	0.742	76%	0.76	S	S	*	*				18.3	158.8	119	57.7	0	0	0	0	121.9
828	P	30.7	Very low	26.3	Very low	113 Å²	113	150 Å²	150	73%	0.734	77%	0.767	S	S	*	*			cis	-139.4	169.6	14.2	27.5	-2.6	0	0	0	118.5
829	V	24.1	Very low	26.5	Very low	131 Å²	131	149.3 Å²	149.3	79%	0.794	77%	0.771	S	S	*	*			trans	36.1	114.2	139.8	-177.7	0	0	0	0	119.9
830	E	27.8	Very low	26.3	Very low	165 Å²	165	148.9 Å²	148.9	77%	0.771	77%	0.767	S	S	*	*				-158	165.5	107.2	-107.9	-147	101.9	0	0	114.4
831	N	26.5	Very low	26.1	Very low	119 Å²	119	145.4 Å²	145.4	64%	0.636	76%	0.762	S	S	*	*			trans	-39.6	153.6	172.8	-61.2	-59.7	0	0	0	115.9
832	T	28.6	Very low	26.1	Very low	122 Å²	122	143.7 Å²	143.7	75%	0.748	76%	0.757	S	S	*	*			cis	-167.3	-179.7	-2.6	21.6	0	0	0	0	107.2
833	R	26.5	Very low	25.9	Very low	225 Å²	225	140.3 Å²	140.3	85%	0.849	75%	0.751	S	S	*	*			cis	-156.9	149	2.4	-137.5	-176	-162.4	171.2	5.2	109.2
834	P	27	Very low	25.9	Very low	109 Å²	109	140.5 Å²	140.5	71%	0.708	75%	0.748	S	S	*	*			trans	-113.9	173.7	167.1	40	-32.2	0	0	0	113.9
835	M	23.4	Very low	25.8	Very low	174 Å²	174	141.6 Å²	141.6	86%	0.857	75%	0.745	S	S	*	*			trans	69.2	158.9	172.6	-55.7	-177.3	164.5	0	0	114.8
836	D	24.2	Very low	25.7	Very low	111 Å²	111	142 Å²	142	59%	0.594	75%	0.745	S	S	*	*			cis	-158.2	172	14.4	-149.2	-8	0	0	0	114.1
837	K	25.3	Very low	25.5	Very low	175 Å²	175	138.3 Å²	138.3	76%	0.761	74%	0.738	S	S	*	*			trans	60.5	116.8	152.3	-74.3	164.5	-178.5	102.8	0	123.2
838	K	22.8	Very low	25.6	Very low	195 Å²	195	137.8 Å²	137.8	85%	0.848	73%	0.734	S	S	*	*			trans	-77.8	173.8	130.4	-96.4	-174.4	177	-177.7	0	109.6
839	P	33.1	Very low	25.3	Very low	107 Å²	107	135.8 Å²	135.8	70%	0.695	73%	0.734	S	S	*	*			cis	-135	-155.3	-27.7	30.7	-6.9	0	0	0	112
840	I	24.5	Very low	25.3	Very low	143 Å²	143	137.3 Å²	137.3	73%	0.733	73%	0.73	S	S	*	*			trans	117.8	111	149.4	-64.1	171.1	0	0	0	117.5
841	T	23.1	Very low	25.1	Very low	119 Å²	119	136.3 Å²	136.3	73%	0.73	73%	0.726	S	S	*	*			trans	25.4	141.5	148.7	65.8	0	0	0	0	121.1
842	T	26.1	Very low	24.9	Very low	114 Å²	114	135.4 Å²	135.4	70%	0.699	73%	0.729	S	S	*	*				-129.9	149.6	53.2	44.2	0	0	0	0	114.2
843	E	23.4	Very low	24.7	Very low	164 Å²	164	135.7 Å²	135.7	77%	0.766	73%	0.73	S	S	*	*				47.5	132.7	88.5	-41.8	-174.9	148.4	0	0	113.2
844	V	26.1	Very low	24.5	Very low	118 Å²	118	130.9 Å²	130.9	72%	0.715	73%	0.726	S	S	*	*			cis	-155.7	148.8	47.6	160.3	0	0	0	0	111.8
845	N	23.6	Very low	24.3	Very low	138 Å²	138	132.8 Å²	132.8	74%	0.738	73%	0.729	S	S	*	*			trans	21.7	154.2	148.8	-58.6	-4	0	0	0	122.3
846	M	22.8	Very low	24.3	Very low	154 Å²	154	128.6 Å²	128.6	76%	0.759	72%	0.722	S	S	*	*			cis	-162.9	163.1	8.9	-125.4	156.5	56.2	0	0	113.2
847	S	23.6	Very low	24.2	Very low	88 Å²	88	128.2 Å²	128.2	62%	0.615	72%	0.724	S	S	*	*			trans	-19.2	159.6	147.4	63.4	0	0	0	0	118.8
848	V	24.3	Very low	24	Very low	109 Å²	109	126.2 Å²	126.2	66%	0.661	73%	0.727	S	S	*	*			cis	-153	144.3	41	171.3	0	0	0	0	108	F850	V848-F850 HydrophobicContact CG1-CD2 3.55Å; V848-F850 HydrophobicContact CG1-CE2 3.76Å
849	G	24.5	Very low	24	Very low	72 Å²	72	121 Å²	121	74%	0.742	72%	0.72	S	S	*	*				69.6	159.6	86.9	0	0	0	0	0	113.9
850	F	24.9	Very low	23.4	Very low	162 Å²	162	121.3 Å²	121.3	71%	0.711	72%	0.72	S	S	*	*			cis	-142.9	159.5	19.4	-111.9	-113.5	0	0	0	112.7	V848	V848-F850 HydrophobicContact CG1-CD2 3.55Å; V848-F850 HydrophobicContact CG1-CE2 3.76Å
851	E	22.5	Very low	23.2	Very low	144 Å²	144	120.8 Å²	120.8	67%	0.673	72%	0.723	S	S	*	*			trans	6.3	139.7	135.7	-60.1	168.1	-166.5	0	0	118.5
852	S	23.1	Very low	23.1	Very low	100 Å²	100	118.6 Å²	118.6	70%	0.699	72%	0.717	S	S	*	*			cis	68.3	106.3	46.1	84.1	0	0	0	0	116
853	T	23.1	Very low	22.8	Very low	128 Å²	128	119 Å²	119	79%	0.785	72%	0.72	S	S	*	*			trans	-160.3	126.9	154	23.9	0	0	0	0	107.9
854	T	23	Very low	22.7	Very low	125 Å²	125	116.8 Å²	116.8	77%	0.767	72%	0.718	S	S	*	*				57.4	144.3	88.6	10.6	0	0	0	0	114.1
855	I	23.6	Very low	22.4	Very low	148 Å²	148	116.9 Å²	116.9	76%	0.759	72%	0.724	S	S	*	*			cis	-131.9	165.5	16.2	-58.2	175.7	0	0	0	111.4
856	A	21.8	Very low	22.3	Very low	86 Å²	86	114.3 Å²	114.3	71%	0.711	72%	0.721	S	S	*	*			trans	-61	-163.2	164.7	0	0	0	0	0	113.1
857	T	22.3	Very low	22.2	Very low	103 Å²	103	113.2 Å²	113.2	63%	0.632	72%	0.724	S	S	*	*				-175.7	168.5	53.1	-27.7	0	0	0	0	110.8
858	T	22.6	Very low	22.1	Very low	134 Å²	134	113.7 Å²	113.7	82%	0.822	73%	0.727	S	S	*	*			trans	65.4	150	156.6	49.9	0	0	0	0	119.2
859	A	21.6	Very low	22.1	Very low	86 Å²	86	113.7 Å²	113.7	71%	0.711	73%	0.727	S	S	*	*			cis	-155.6	143.4	-16.3	0	0	0	0	0	113
860	T	20.9	Very low	22	Very low	112 Å²	112	116.8 Å²	116.8	69%	0.687	73%	0.726	S	S	*	*			trans	-18.4	159.9	153.2	34.4	0	0	0	0	122.2
861	T	20.6	Very low	22	Very low	132 Å²	132	114.5 Å²	114.5	81%	0.81	72%	0.721	S	S	*	*			trans	75.4	150	167	71.5	0	0	0	0	116.5
862	A	20.6	Very low	22.1	Very low	73 Å²	73	116.3 Å²	116.3	60%	0.603	72%	0.721	S	S	*	*			cis	-152.4	174	14.4	0	0	0	0	0	114.9
863	T	20.5	Very low	22.1	Very low	123 Å²	123	114.7 Å²	114.7	76%	0.755	71%	0.71	S	S	*	*			trans	67.4	129.1	145.5	46.1	0	0	0	0	123.5
864	T	20.8	Very low	22.2	Very low	117 Å²	117	112.5 Å²	112.5	72%	0.718	70%	0.698	S	S	*	*			trans	60.2	121.2	137.6	58.9	0	0	0	0	122.5
865	S	20.4	Very low	22.3	Very low	121 Å²	121	113.7 Å²	113.7	85%	0.846	70%	0.699	S	S	*	*			trans	68.1	154	136.9	75.9	0	0	0	0	118.4
866	A	21.3	Very low	22.2	Very low	83 Å²	83	112.9 Å²	112.9	69%	0.686	70%	0.697	S	S	*	*			cis	-147.1	157.6	-4.1	0	0	0	0	0	111.5
867	T	21.4	Very low	22.3	Very low	132 Å²	132	115.5 Å²	115.5	81%	0.81	70%	0.697	S	S	*	*			trans	-61.1	125.2	155.4	45	0	0	0	0	111.8
868	S	21.5	Very low	22.3	Very low	97 Å²	97	117.1 Å²	117.1	68%	0.678	71%	0.707	S	S	*	*			trans	-162.7	93.7	156.8	58.8	0	0	0	0	113.6
869	V	23.9	Very low	22.3	Very low	110 Å²	110	114.9 Å²	114.9	67%	0.667	70%	0.697	S	S	*	*			trans	-105.1	104.3	150.3	174.6	0	0	0	0	106.1	L871	V869-L871 PolarHBondContact O-N 3.14Å
870	L	22	Very low	22.4	Very low	136 Å²	136	119.2 Å²	119.2	71%	0.712	70%	0.703	S	S	*	*			trans	-91.5	92.6	179.2	-92.3	165.5	0	0	0	110.4	R872	L870-R872 HydrophobicContact CD2-CG 4.23Å
871	L	24.7	Very low	22.5	Very low	115 Å²	115	119 Å²	119	60%	0.602	71%	0.705	S	S	*	*			trans	-105.4	119.3	147.3	-72.6	170.4	0	0	0	106.3	G454 V869	G454-L871 WeakPolarHBondContact O-CD1 3.5Å; V869-L871 PolarHBondContact O-N 3.14Å
872	R	24	Very low	22.7	Very low	181 Å²	181	118.5 Å²	118.5	68%	0.683	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-86.5	119.9	-173.4	-91	-175.9	168.9	170.3	-3	110.4	L870	L870-R872 HydrophobicContact CD2-CG 4.23Å
873	S	23.7	Very low	22.9	Very low	66 Å²	66	119.3 Å²	119.3	46%	0.462	70%	0.697	S	S	.	*	P	Polyproline II helix	trans	-56.5	139.6	152.8	-174.8	0	0	0	0	109
874	P	25.5	Very low	22.9	Very low	82 Å²	82	119.4 Å²	119.4	53%	0.532	69%	0.692	S	S	.	*	S	Bend	trans	-63	151.3	159.5	29.5	-33.3	0	0	0	109.4
875	N	23.9	Very low	23.1	Very low	150 Å²	150	120.1 Å²	120.1	80%	0.802	69%	0.689	S	S	*	*	S	Bend	trans	51.2	83.9	172.3	-54.7	1.6	0	0	0	115.1
876	D	21.9	Very low	23.4	Very low	131 Å²	131	119.9 Å²	119.9	70%	0.701	68%	0.683	S	S	*	*				-166.4	166	89	-132.1	-47.7	0	0	0	113.9
877	I	24.1	Very low	23.5	Very low	142 Å²	142	125.5 Å²	125.5	73%	0.728	69%	0.691	S	S	*	*			trans	53.8	116.6	169.3	-58.1	178.2	0	0	0	117.9	S879	I877-S879 PolarHBondContact O-N 2.68Å
878	T	22.1	Very low	23.7	Very low	137 Å²	137	127 Å²	127	84%	0.84	70%	0.695	S	S	*	*			trans	-55.3	119.4	163.8	49.1	0	0	0	0	113.7
879	S	23.3	Very low	23.8	Very low	87 Å²	87	131.5 Å²	131.5	61%	0.608	71%	0.705	S	S	*	*			trans	-135.2	106.5	157	69.4	0	0	0	0	110.7	I877 S881	I877-S879 PolarHBondContact O-N 2.68Å; S879-S881 PolarHBondContact O-N 3.18Å
880	Q	23.4	Very low	23.9	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.822	71%	0.711	S	S	*	*			trans	-79.9	112.6	-178.9	-65	169.3	-53.7	0	0	111
881	S	22.5	Very low	24	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	72%	0.719	S	S	*	*			trans	-149.8	17.4	168.4	64.3	0	0	0	0	115.6	S879	S879-S881 PolarHBondContact O-N 3.18Å
882	T	25.3	Very low	24.1	Very low	123 Å²	123	133.8 Å²	133.8	76%	0.755	72%	0.723	S	S	*	*	S	Bend	trans	-145.8	53.8	171.1	23	0	0	0	0	112
883	L	24.5	Very low	24.1	Very low	90 Å²	90	132 Å²	132	47%	0.471	73%	0.727	S	S	.	*			trans	46.2	71.8	163.4	-133.6	77.3	0	0	0	117.5	M885 L902	L883-M885 HydrophobicContact CD2-CG 4.17Å; L883-M885 HydrophobicContact CD2-SD 3.62Å; L883-M885 HydrophobicContact CG-CG 4.08Å; L883-M885 HydrophobicContact CG-SD 4.18Å; L883-M885 PolarHBondContact O-N 3.36Å; L883-M885 VanDerWaalsContact O-N 3.15Å; L883-L902 HydrophobicContact CD2-CD1 4.34Å
884	D	21.9	Very low	24.3	Very low	124 Å²	124	137 Å²	137	66%	0.663	75%	0.749	S	S	*	*			trans	-66.4	106	161	-82.5	-53	0	0	0	110.1
885	M	24.5	Very low	24.4	Very low	132 Å²	132	141 Å²	141	65%	0.65	77%	0.766	S	S	*	*			trans	-119.9	54.3	179.5	-86.5	-169.6	66.8	0	0	112.6	L883	L883-M885 HydrophobicContact CD2-CG 4.17Å; L883-M885 HydrophobicContact CD2-SD 3.62Å; L883-M885 HydrophobicContact CG-CG 4.08Å; L883-M885 HydrophobicContact CG-SD 4.18Å; L883-M885 PolarHBondContact O-N 3.36Å; L883-M885 VanDerWaalsContact O-N 3.15Å
886	T	25.5	Very low	24.8	Very low	116 Å²	116	136.9 Å²	136.9	71%	0.712	76%	0.759	S	S	*	*	S	Bend	trans	-132.8	-9.8	172	48.5	0	0	0	0	115.1
887	K	24.3	Very low	25.4	Very low	201 Å²	201	137 Å²	137	87%	0.874	76%	0.764	S	S	*	*			trans	-103.2	89.7	167.7	-78.4	-166	173.4	-173.1	0	111.2
888	N	24.9	Very low	26	Very low	164 Å²	164	133.1 Å²	133.1	88%	0.877	76%	0.759	S	S	*	*			trans	-157.6	95.7	152.7	-99.3	-11.6	0	0	0	106.7
889	E	24.7	Very low	27.1	Very low	192 Å²	192	128.2 Å²	128.2	90%	0.897	73%	0.73	S	S	*	*			trans	-65.9	136.5	164	-69.3	176	110.2	0	0	108.9	D891	E889-D891 PolarHBondContact O-N 2.81Å
890	V	26.1	Very low	28.2	Very low	130 Å²	130	129.5 Å²	129.5	79%	0.788	73%	0.73	S	S	*	*			trans	16.3	94.7	159.8	-167.7	0	0	0	0	116.6	V892	V890-V892 HydrophobicContact CG1-CG2 4.14Å
891	D	23.1	Very low	29.7	Very low	166 Å²	166	129.2 Å²	129.2	89%	0.888	72%	0.721	S	S	*	*			trans	-132.7	95.7	143.9	-148.1	-8.5	0	0	0	109.4	E889 N893	E889-D891 PolarHBondContact O-N 2.81Å; D891-N893 PolarHBondContact O-N 3.44Å
892	V	27	Very low	31.4	Very low	113 Å²	113	127.2 Å²	127.2	69%	0.685	70%	0.702	S	S	*	*			trans	-86.7	96.7	-172.6	177.3	0	0	0	0	109	V890	V890-V892 HydrophobicContact CG1-CG2 4.14Å
893	N	24.7	Very low	33.1	Very low	144 Å²	144	124.7 Å²	124.7	77%	0.77	68%	0.683	S	S	*	*			trans	172.6	98.7	144.6	-90	-47.6	0	0	0	111.9	D891	D891-N893 PolarHBondContact O-N 3.44Å
894	N	27.6	Very low	35	Very low	171 Å²	171	124 Å²	124	91%	0.914	68%	0.683	S	S	*	*			trans	-179.8	102.7	145.4	-98.9	-44.1	0	0	0	111.5
895	D	27.8	Very low	37.2	Very low	166 Å²	166	121.7 Å²	121.7	89%	0.888	67%	0.668	S	S	*	*			trans	-77.6	142.4	174.1	-73.3	-60.4	0	0	0	112.8
896	G	31.9	Very low	39.5	Very low	63 Å²	63	116.7 Å²	116.7	65%	0.649	64%	0.643	S	S	*	*	S	Bend	trans	124.3	-38.9	156.8	0	0	0	0	0	117.2
897	V	34.8	Very low	41.8	Very low	133 Å²	133	113 Å²	113	81%	0.806	62%	0.619	S	S	*	*	S	Bend	trans	-84.1	-21.8	-164	-175.3	0	0	0	0	114.4	S899	V897-S899 PolarHBondContact O-N 2.91Å
898	G	37	Very low	44.4	Very low	61 Å²	61	107.5 Å²	107.5	63%	0.629	60%	0.599	S	S	*	*	H	α-helix	trans	-71.1	-30.3	-173.3	0	0	0	0	0	115.9
899	S	44	Very low	47.1	Very low	33 Å²	33	103.4 Å²	103.4	23%	0.231	58%	0.575	C	S	.	*	H	α-helix	trans	-70	-45.5	-169.2	-174.9	0	0	0	0	113.3	V897 R901 L902 I903	V897-S899 PolarHBondContact O-N 2.91Å; S899-R901 VanDerWaalsContact C-N 3.27Å; S899-R901 PolarHBondContact O-N 2.96Å; S899-L902 PolarHBondContact O-N 3.36Å; S899-I903 WeakPolarHBondContact O-CG1 3.3Å; S899-I903 PolarHBondContact O-N 3.48Å
900	D	47.4	Very low	49.9	Very low	115 Å²	115	94.7 Å²	94.7	62%	0.615	53%	0.534	S	S	*	.	H	α-helix	trans	-66.5	-29.9	-174.2	-71.6	-18	0	0	0	112.6	T904	D900-T904 WeakPolarHBondContact O-CB 3.29Å; D900-T904 PolarHBondContact O-N 2.72Å; D900-T904 PolarHBondContact O-OG1 3.02Å
901	R	55.2	Low	52.5	Low	169 Å²	169	92.1 Å²	92.1	64%	0.638	51%	0.511	S	S	*	.	H	α-helix	trans	-66.4	-48.3	177.4	-174.6	172.6	-178	160.6	3.7	111.5	S899 I903 T904 E905	S899-R901 VanDerWaalsContact C-N 3.27Å; S899-R901 PolarHBondContact O-N 2.96Å; R901-I903 VanDerWaalsContact C-N 3.33Å; R901-I903 PolarHBondContact O-N 3.24Å; R901-T904 WeakPolarHBondContact O-CB 3.31Å; R901-T904 PolarHBondContact O-N 2.97Å; R901-T904 VanDerWaalsContact O-N 3.13Å; R901-E905 VanDerWaalsContact CG-OE1 3.28Å; R901-E905 WeakPolarHBondContact CG-OE1 2.75Å; R901-E905 IonicContact CZ-OE1 3.22Å; R901-E905 IonicContact NE-OE1 2.66Å; R901-E905 PolarHBondContact NE-OE1 3.03Å; R901-E905 IonicContact NH2-OE1 3.83Å; R901-E905 WeakPolarHBondContact O-CG 3.25Å; R901-E905 PolarHBondContact O-N 2.74Å
902	L	56.5	Low	55.5	Low	66 Å²	66	89 Å²	89	35%	0.346	49%	0.494	S	S	.	.	H	α-helix	trans	-61.8	-42	-179.7	-159.1	79.1	0	0	0	111.7	L883 S899 T904 E905 Q906	L883-L902 HydrophobicContact CD2-CD1 4.34Å; S899-L902 PolarHBondContact O-N 3.36Å; L902-T904 VanDerWaalsContact C-N 3.32Å; L902-T904 PolarHBondContact O-N 2.91Å; L902-E905 PolarHBondContact O-N 2.98Å; L902-Q906 WeakPolarHBondContact O-CB 3.37Å; L902-Q906 PolarHBondContact O-N 2.85Å
903	I	61.8	Low	58.3	Low	69 Å²	69	83.6 Å²	83.6	35%	0.354	46%	0.461	S	S	.	.	H	α-helix	trans	-64.5	-37.6	176.4	-63.8	167.4	0	0	0	111	S899 R901 N907	S899-I903 WeakPolarHBondContact O-CG1 3.3Å; S899-I903 PolarHBondContact O-N 3.48Å; R901-I903 VanDerWaalsContact C-N 3.33Å; R901-I903 PolarHBondContact O-N 3.24Å; I903-N907 VanDerWaalsContact O-CB 3.26Å; I903-N907 WeakPolarHBondContact O-CB 3.36Å; I903-N907 PolarHBondContact O-N 2.93Å
904	T	64.1	Low	61.2	Low	77 Å²	77	76.9 Å²	76.9	47%	0.472	43%	0.425	S	S	.	.	H	α-helix	trans	-69.2	-43.8	178.5	-59.3	0	0	0	0	111.9	D900 R901 L902 N907 N908	D900-T904 WeakPolarHBondContact O-CB 3.29Å; D900-T904 PolarHBondContact O-N 2.72Å; D900-T904 PolarHBondContact O-OG1 3.02Å; R901-T904 WeakPolarHBondContact O-CB 3.31Å; R901-T904 PolarHBondContact O-N 2.97Å; R901-T904 VanDerWaalsContact O-N 3.13Å; L902-T904 VanDerWaalsContact C-N 3.32Å; L902-T904 PolarHBondContact O-N 2.91Å; T904-N907 PolarHBondContact O-N 3.2Å; T904-N908 PolarHBondContact O-N 2.99Å; T904-N908 VanDerWaalsContact O-N 3.14Å; T904-N908 PolarHBondContact O-ND2 2.92Å
905	E	69	Low	63.9	Low	75 Å²	75	70.6 Å²	70.6	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-47.3	178.1	-71.2	169.6	-172.3	0	0	110.8	R901 L902 N907 N908 E909	R901-E905 VanDerWaalsContact CG-OE1 3.28Å; R901-E905 WeakPolarHBondContact CG-OE1 2.75Å; R901-E905 IonicContact CZ-OE1 3.22Å; R901-E905 IonicContact NE-OE1 2.66Å; R901-E905 PolarHBondContact NE-OE1 3.03Å; R901-E905 IonicContact NH2-OE1 3.83Å; R901-E905 WeakPolarHBondContact O-CG 3.25Å; R901-E905 PolarHBondContact O-N 2.74Å; L902-E905 PolarHBondContact O-N 2.98Å; E905-N907 PolarHBondContact O-N 3.35Å; E905-N908 PolarHBondContact O-N 3.39Å; E905-E909 PolarHBondContact O-N 2.98Å; E905-E909 VanDerWaalsContact O-N 3.14Å
906	Q	71.4	Confident	66.5	Low	26 Å²	26	65.6 Å²	65.6	12%	0.121	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-38.6	177.3	-171.2	-174.8	-26.3	0	0	113.3	A635 L902 E909 I910	A635-Q906 PolarHBondContact O-NE2 2.96Å; L902-Q906 WeakPolarHBondContact O-CB 3.37Å; L902-Q906 PolarHBondContact O-N 2.85Å; Q906-E909 PolarHBondContact O-N 3.4Å; Q906-I910 HydrophobicContact CG-CD1 4.17Å; Q906-I910 WeakPolarHBondContact O-CG1 3.2Å; Q906-I910 PolarHBondContact O-N 2.68Å
907	N	74.6	Confident	68.9	Low	38 Å²	38	62.9 Å²	62.9	20%	0.203	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-41.4	175.6	-176.4	20.4	0	0	0	111.5	I632 I903 T904 E905 R911	I632-N907 HydrophobicContact CG2-CB 3.87Å; I903-N907 VanDerWaalsContact O-CB 3.26Å; I903-N907 WeakPolarHBondContact O-CB 3.36Å; I903-N907 PolarHBondContact O-N 2.93Å; T904-N907 PolarHBondContact O-N 3.2Å; E905-N907 PolarHBondContact O-N 3.35Å; N907-R911 WeakPolarHBondContact O-CB 3.49Å; N907-R911 WeakPolarHBondContact O-CD 3.49Å; N907-R911 WeakPolarHBondContact O-CG 3.47Å; N907-R911 PolarHBondContact O-N 3.1Å; N907-R911 VanDerWaalsContact O-N 3.12Å; N907-R911 PolarHBondContact OD1-NE 3.5Å
908	N	79.7	Confident	71.1	Confident	87 Å²	87	61.4 Å²	61.4	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-37.8	177.3	-69.8	-20.4	0	0	0	112.3	T904 E905 R911 N912	T904-N908 PolarHBondContact O-N 2.99Å; T904-N908 VanDerWaalsContact O-N 3.14Å; T904-N908 PolarHBondContact O-ND2 2.92Å; E905-N908 PolarHBondContact O-N 3.39Å; N908-R911 PolarHBondContact O-N 3.22Å; N908-N912 WeakPolarHBondContact O-CB 3.46Å; N908-N912 PolarHBondContact O-N 3.4Å
909	E	80.8	Confident	72.9	Confident	77 Å²	77	63.6 Å²	63.6	36%	0.36	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-47.8	176.9	-163.6	-169	155	0	0	112.1	L639 W641 E905 Q906 R911 N912 F913	L639-E909 HydrophobicContact CD1-CG 4.11Å; W641-E909 HydrophobicContact CZ2-CG 4.07Å; W641-E909 PolarHBondContact NE1-OE1 3.09Å; E905-E909 PolarHBondContact O-N 2.98Å; E905-E909 VanDerWaalsContact O-N 3.14Å; Q906-E909 PolarHBondContact O-N 3.4Å; E909-R911 VanDerWaalsContact C-N 3.32Å; E909-R911 PolarHBondContact O-N 3.1Å; E909-N912 PolarHBondContact O-N 3.21Å; E909-F913 PolarHBondContact O-N 2.93Å
910	I	82.6	Confident	74.4	Confident	9 Å²	9	63.6 Å²	63.6	5%	0.046	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-39.7	179.6	-64.4	165.4	0	0	0	111.2	I632 I637 L639 Q906 F913 L914	I632-I910 HydrophobicContact CB-CD1 4.43Å; I632-I910 HydrophobicContact CD1-CG2 4.2Å; I632-I910 HydrophobicContact CG1-CD1 3.91Å; I632-I910 HydrophobicContact CG1-CG2 4.31Å; I632-I910 HydrophobicContact CG2-CD1 4.41Å; I637-I910 HydrophobicContact CD1-CD1 3.56Å; L639-I910 HydrophobicContact CD1-CB 4.34Å; L639-I910 HydrophobicContact CD1-CG1 3.83Å; L639-I910 HydrophobicContact CD2-CG1 4.29Å; L639-I910 HydrophobicContact CG-CG1 4.41Å; Q906-I910 HydrophobicContact CG-CD1 4.17Å; Q906-I910 WeakPolarHBondContact O-CG1 3.2Å; Q906-I910 PolarHBondContact O-N 2.68Å; I910-F913 PolarHBondContact O-N 3.33Å; I910-L914 HydrophobicContact CG2-CD1 4.07Å; I910-L914 WeakPolarHBondContact O-CG 3.49Å; I910-L914 PolarHBondContact O-N 3.16Å
911	R	82.1	Confident	74.7	Confident	77 Å²	77	66.2 Å²	66.2	29%	0.291	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-45.8	174.9	-70.1	173	159.9	-178.4	-10.9	111.8	G619 Y621 N907 N908 E909 F913 L914 E915	G619-R911 PolarHBondContact O-NH2 3.01Å; G619-R911 VanDerWaalsContact O-NH2 3.12Å; Y621-R911 HydrophobicContact CD2-CG 4.02Å; Y621-R911 HydrophobicContact CE2-CB 4.04Å; Y621-R911 HydrophobicContact CE2-CG 3.65Å; N907-R911 WeakPolarHBondContact O-CB 3.49Å; N907-R911 WeakPolarHBondContact O-CD 3.49Å; N907-R911 WeakPolarHBondContact O-CG 3.47Å; N907-R911 PolarHBondContact O-N 3.1Å; N907-R911 VanDerWaalsContact O-N 3.12Å; N907-R911 PolarHBondContact OD1-NE 3.5Å; N908-R911 PolarHBondContact O-N 3.22Å; E909-R911 VanDerWaalsContact C-N 3.32Å; E909-R911 PolarHBondContact O-N 3.1Å; R911-F913 VanDerWaalsContact C-N 3.35Å; R911-F913 PolarHBondContact O-N 2.96Å; R911-L914 PolarHBondContact O-N 3.03Å; R911-E915 WeakPolarHBondContact O-CB 3.35Å; R911-E915 WeakPolarHBondContact O-CG 3.38Å; R911-E915 PolarHBondContact O-N 3.33Å
912	N	85.1	Confident	74.6	Confident	100 Å²	100	60.7 Å²	60.7	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-42.5	177	-172.3	27.5	0	0	0	111.9	N908 E909 E915 K916	N908-N912 WeakPolarHBondContact O-CB 3.46Å; N908-N912 PolarHBondContact O-N 3.4Å; E909-N912 PolarHBondContact O-N 3.21Å; N912-E915 PolarHBondContact O-N 3.23Å; N912-K916 WeakPolarHBondContact O-CB 3.15Å; N912-K916 PolarHBondContact O-N 2.89Å
913	F	87.1	Confident	74.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-48	176.3	-174	-97	0	0	0	112.5	L639 P640 W641 L644 E909 I910 R911 K916 I917 I931 I935	L639-F913 HydrophobicContact CB-CD2 4.07Å; L639-F913 HydrophobicContact CB-CE2 4.26Å; L639-F913 HydrophobicContact CB-CG 4.26Å; L639-F913 HydrophobicContact CD1-CB 3.66Å; L639-F913 HydrophobicContact CD1-CD1 4.43Å; L639-F913 HydrophobicContact CD1-CD2 4.38Å; L639-F913 HydrophobicContact CD1-CG 3.93Å; L639-F913 HydrophobicContact CD2-CD1 4.32Å; L639-F913 HydrophobicContact CG-CG 4.48Å; P640-F913 HydrophobicContact CG-CZ 3.85Å; W641-F913 AromaticContact CD2-CD2 3.7Å; W641-F913 HydrophobicContact CD2-CD2 3.7Å; W641-F913 HydrophobicContact CD2-CE2 4.22Å; W641-F913 AromaticContact CE2-CD2 3.76Å; W641-F913 AromaticContact CE3-CD2 3.74Å; W641-F913 HydrophobicContact CE3-CD2 3.74Å; W641-F913 HydrophobicContact CE3-CE2 4.26Å; W641-F913 HydrophobicContact CG-CD2 4.34Å; W641-F913 HydrophobicContact CH2-CB 3.85Å; W641-F913 AromaticContact CH2-CD2 3.94Å; W641-F913 HydrophobicContact CH2-CD2 3.94Å; W641-F913 HydrophobicContact CH2-CG 4.41Å; W641-F913 HydrophobicContact CZ2-CB 3.76Å; W641-F913 AromaticContact CZ2-CD2 3.9Å; W641-F913 HydrophobicContact CZ2-CD2 3.9Å; W641-F913 HydrophobicContact CZ2-CG 4.34Å; W641-F913 AromaticContact CZ3-CD2 3.86Å; W641-F913 HydrophobicContact CZ3-CD2 3.86Å; L644-F913 HydrophobicContact CB-CE2 4.05Å; L644-F913 HydrophobicContact CB-CZ 4.43Å; L644-F913 HydrophobicContact CD2-CD2 3.89Å; L644-F913 HydrophobicContact CD2-CE2 3.57Å; L644-F913 HydrophobicContact CD2-CZ 4.13Å; L644-F913 HydrophobicContact CG-CE2 4.45Å; E909-F913 PolarHBondContact O-N 2.93Å; I910-F913 PolarHBondContact O-N 3.33Å; R911-F913 VanDerWaalsContact C-N 3.35Å; R911-F913 PolarHBondContact O-N 2.96Å; F913-K916 PolarHBondContact O-N 2.98Å; F913-I917 HydrophobicContact CD1-CD1 3.9Å; F913-I917 HydrophobicContact CE1-CD1 3.35Å; F913-I917 HydrophobicContact CE1-CG1 4.45Å; F913-I917 HydrophobicContact CZ-CD1 3.76Å; F913-I917 WeakPolarHBondContact O-CG1 3.24Å; F913-I917 PolarHBondContact O-N 3.13Å; F913-I931 HydrophobicContact CE1-CG2 3.98Å; F913-I931 HydrophobicContact CZ-CG2 3.97Å; F913-I935 HydrophobicContact CD1-CD1 4.4Å; F913-I935 HydrophobicContact CE1-CD1 3.85Å
914	L	85.7	Confident	74.4	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-69.7	-32.4	179.5	-67.1	174.6	0	0	0	112.7	I613 Y621 I623 I910 R911 R918 L932 I935	I613-L914 HydrophobicContact CD1-CD2 4.17Å; I613-L914 WeakPolarHBondContact CD1-O 3.25Å; Y621-L914 HydrophobicContact CD1-CB 3.95Å; Y621-L914 HydrophobicContact CD1-CD1 4.41Å; Y621-L914 HydrophobicContact CE1-CB 4.43Å; Y621-L914 HydrophobicContact CG-CB 4.32Å; Y621-L914 HydrophobicContact CG-CD1 4Å; I623-L914 HydrophobicContact CD1-CD2 4.16Å; I910-L914 HydrophobicContact CG2-CD1 4.07Å; I910-L914 WeakPolarHBondContact O-CG 3.49Å; I910-L914 PolarHBondContact O-N 3.16Å; R911-L914 PolarHBondContact O-N 3.03Å; L914-R918 WeakPolarHBondContact O-CB 3.26Å; L914-R918 PolarHBondContact O-N 2.88Å; L914-L932 HydrophobicContact CD2-CD2 4.38Å; L914-I935 HydrophobicContact CD2-CD1 4.4Å
915	E	83.3	Confident	74.7	Confident	39 Å²	39	60.2 Å²	60.2	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-47.2	169	-78.6	-66	162.7	0	0	112.1	Y621 R911 N912 I917 R918 N919	Y621-E915 HydrophobicContact CE1-CG 4.07Å; Y621-E915 WeakPolarHBondContact CE1-OE1 3.29Å; Y621-E915 WeakPolarHBondContact OH-CG 3.43Å; Y621-E915 PolarHBondContact OH-OE1 3Å; R911-E915 WeakPolarHBondContact O-CB 3.35Å; R911-E915 WeakPolarHBondContact O-CG 3.38Å; R911-E915 PolarHBondContact O-N 3.33Å; N912-E915 PolarHBondContact O-N 3.23Å; E915-I917 PolarHBondContact O-N 3.46Å; E915-R918 PolarHBondContact O-N 2.84Å; E915-R918 IonicContact OE1-CZ 3.7Å; E915-R918 IonicContact OE1-NE 2.73Å; E915-R918 IonicContact OE1-NH1 3.81Å; E915-R918 PolarHBondContact OE1-NH1 2.83Å; E915-R918 IonicContact OE1-NH2 2.71Å; E915-R918 PolarHBondContact OE1-NH2 2.85Å; E915-R918 IonicContact OE2-CZ 3.41Å; E915-R918 IonicContact OE2-NE 2.71Å; E915-R918 PolarHBondContact OE2-NE 2.7Å; E915-R918 IonicContact OE2-NH2 2.68Å; E915-R918 PolarHBondContact OE2-NH2 3.01Å; E915-N919 WeakPolarHBondContact O-CB 3.46Å; E915-N919 PolarHBondContact O-N 3.29Å; E915-N919 PolarHBondContact O-ND2 2.85Å; E915-N919 VanDerWaalsContact O-ND2 3.1Å
916	K	82.7	Confident	75	Confident	62 Å²	62	59.6 Å²	59.6	27%	0.27	31%	0.308	S	S	.	.	H	α-helix	trans	-57.5	-38.9	177	-162.2	-178.1	-172.2	-157.4	0	110.9	W641 L644 D645 M648 N912 F913 I920	W641-K916 HydrophobicContact CZ3-CD 3.74Å; L644-K916 HydrophobicContact CD2-CB 4.44Å; L644-K916 HydrophobicContact CD2-CD 4.03Å; L644-K916 HydrophobicContact CD2-CG 4.39Å; D645-K916 IonicContact OD1-NZ 3.23Å; D645-K916 PolarHBondContact OD1-NZ 3.05Å; M648-K916 HydrophobicContact SD-CD 4.2Å; M648-K916 WeakPolarHBondContact SD-CE 3.34Å; M648-K916 HydrophobicContact SD-CG 4.4Å; N912-K916 WeakPolarHBondContact O-CB 3.15Å; N912-K916 PolarHBondContact O-N 2.89Å; F913-K916 PolarHBondContact O-N 2.98Å; K916-I920 WeakPolarHBondContact O-CG1 3.32Å
917	I	82.6	Confident	75.3	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-69.7	-44.4	172.4	-65.7	176.4	0	0	0	112.4	I613 L644 F913 E915 N919 I920 L928 I931 L932	I613-I917 HydrophobicContact CD1-CB 3.87Å; I613-I917 HydrophobicContact CD1-CG2 3.57Å; L644-I917 HydrophobicContact CD1-CD1 4.37Å; L644-I917 HydrophobicContact CD1-CG1 3.78Å; L644-I917 HydrophobicContact CD2-CD1 4.36Å; L644-I917 HydrophobicContact CD2-CG1 3.83Å; L644-I917 HydrophobicContact CG-CG1 4.48Å; F913-I917 HydrophobicContact CD1-CD1 3.9Å; F913-I917 HydrophobicContact CE1-CD1 3.35Å; F913-I917 HydrophobicContact CE1-CG1 4.45Å; F913-I917 HydrophobicContact CZ-CD1 3.76Å; F913-I917 WeakPolarHBondContact O-CG1 3.24Å; F913-I917 PolarHBondContact O-N 3.13Å; E915-I917 PolarHBondContact O-N 3.46Å; I917-N919 PolarHBondContact O-N 2.97Å; I917-I920 WeakPolarHBondContact O-CB 3.32Å; I917-I920 PolarHBondContact O-N 3.3Å; I917-I920 VanDerWaalsContact O-N 3.11Å; I917-L928 HydrophobicContact CD1-CD1 3.98Å; I917-L928 HydrophobicContact CG1-CD1 4.03Å; I917-L928 HydrophobicContact CG2-CD1 3.86Å; I917-L928 HydrophobicContact CG2-CD2 4.36Å; I917-L928 HydrophobicContact CG2-CG 4.35Å; I917-I931 HydrophobicContact CD1-CG2 4.22Å; I917-L932 HydrophobicContact CD1-CD2 4.23Å; I917-L932 HydrophobicContact CG2-CD1 4.05Å; I917-L932 HydrophobicContact CG2-CD2 4.24Å
918	R	80.5	Confident	75.6	Confident	103 Å²	103	58.2 Å²	58.2	39%	0.389	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-30.4	-179.4	-169.2	-178.9	71.2	179.1	0.3	112.6	I613 L914 E915 I920	I613-R918 HydrophobicContact CB-CB 4.21Å; I613-R918 HydrophobicContact CB-CG 4.19Å; I613-R918 HydrophobicContact CD1-CB 4.36Å; I613-R918 HydrophobicContact CG2-CB 4.22Å; I613-R918 HydrophobicContact CG2-CG 4.35Å; L914-R918 WeakPolarHBondContact O-CB 3.26Å; L914-R918 PolarHBondContact O-N 2.88Å; E915-R918 PolarHBondContact O-N 2.84Å; E915-R918 IonicContact OE1-CZ 3.7Å; E915-R918 IonicContact OE1-NE 2.73Å; E915-R918 IonicContact OE1-NH1 3.81Å; E915-R918 PolarHBondContact OE1-NH1 2.83Å; E915-R918 IonicContact OE1-NH2 2.71Å; E915-R918 PolarHBondContact OE1-NH2 2.85Å; E915-R918 IonicContact OE2-CZ 3.41Å; E915-R918 IonicContact OE2-NE 2.71Å; E915-R918 PolarHBondContact OE2-NE 2.7Å; E915-R918 IonicContact OE2-NH2 2.68Å; E915-R918 PolarHBondContact OE2-NH2 3.01Å; R918-I920 VanDerWaalsContact C-N 3.33Å
919	N	76	Confident	75.8	Confident	107 Å²	107	54.3 Å²	54.3	57%	0.572	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.2	-179.2	-62	-27.7	0	0	0	113.6	E915 I917 N921	E915-N919 WeakPolarHBondContact O-CB 3.46Å; E915-N919 PolarHBondContact O-N 3.29Å; E915-N919 PolarHBondContact O-ND2 2.85Å; E915-N919 VanDerWaalsContact O-ND2 3.1Å; I917-N919 PolarHBondContact O-N 2.97Å; N919-N921 PolarHBondContact O-N 2.93Å; N919-N921 VanDerWaalsContact O-N 3.14Å
920	I	73.5	Confident	76	Confident	33 Å²	33	51.1 Å²	51.1	17%	0.169	27%	0.265	C	S	.	.			trans	-75.4	99.4	171.3	-71.5	167.2	0	0	0	108.6	L644 Y647 M648 K916 I917 R918 S922 L928	L644-I920 HydrophobicContact CD1-CD1 3.81Å; Y647-I920 HydrophobicContact CD1-CD1 4.03Å; Y647-I920 HydrophobicContact CE1-CD1 3.84Å; Y647-I920 HydrophobicContact CE1-CG1 4.43Å; Y647-I920 HydrophobicContact CE1-CG2 3.55Å; Y647-I920 WeakPolarHBondContact OH-CG2 3.42Å; M648-I920 HydrophobicContact CG-CD1 4.27Å; K916-I920 WeakPolarHBondContact O-CG1 3.32Å; I917-I920 WeakPolarHBondContact O-CB 3.32Å; I917-I920 PolarHBondContact O-N 3.3Å; I917-I920 VanDerWaalsContact O-N 3.11Å; R918-I920 VanDerWaalsContact C-N 3.33Å; I920-S922 VanDerWaalsContact C-N 3.27Å; I920-S922 VanDerWaalsContact CG2-OG 3.24Å; I920-S922 WeakPolarHBondContact CG2-OG 3.49Å; I920-S922 PolarHBondContact O-N 2.96Å; I920-L928 HydrophobicContact CG2-CD2 4.25Å
921	N	53.8	Low	76.2	Confident	169 Å²	169	50.8 Å²	50.8	90%	0.904	26%	0.264	S	S	*	.			trans	-82.2	4.5	-174.4	-113.1	-20.5	0	0	0	114.6	N919	N919-N921 PolarHBondContact O-N 2.93Å; N919-N921 VanDerWaalsContact O-N 3.14Å
922	S	54.3	Low	76.4	Confident	53 Å²	53	47.1 Å²	47.1	37%	0.371	25%	0.25	S	C	.	.	S	Bend	trans	-85.7	161.3	177.7	40.6	0	0	0	0	112.6	Y647 N651 I920 Q924	Y647-S922 PolarHBondContact OH-OG 3.08Å; N651-S922 PolarHBondContact ND2-OG 3.13Å; I920-S922 VanDerWaalsContact C-N 3.27Å; I920-S922 VanDerWaalsContact CG2-OG 3.24Å; I920-S922 WeakPolarHBondContact CG2-OG 3.49Å; I920-S922 PolarHBondContact O-N 2.96Å; S922-Q924 PolarHBondContact O-N 3.13Å
923	S	57.5	Low	76.6	Confident	96 Å²	96	42.6 Å²	42.6	67%	0.671	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-55.8	125.6	171.6	51.1	0	0	0	0	111	T925	S923-T925 PolarHBondContact O-N 3.47Å
924	Q	56.9	Low	76.8	Confident	49 Å²	49	42.6 Å²	42.6	23%	0.229	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-57.2	129.1	177.1	-66	-176.8	-8.8	0	0	109.9	I609 S611 S922 L928	I609-Q924 PolarHBondContact O-OE1 3.17Å; S611-Q924 PolarHBondContact O-NE2 3.13Å; S611-Q924 PolarHBondContact OG-OE1 3.25Å; S611-Q924 VanDerWaalsContact OG-OE1 3.09Å; S922-Q924 PolarHBondContact O-N 3.13Å; Q924-L928 HydrophobicContact CG-CD2 4.23Å
925	T	68.9	Low	77	Confident	58 Å²	58	42.8 Å²	42.8	36%	0.356	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-92.7	165.2	173.2	62.7	0	0	0	0	110.3	Y647 S923 L927 L928 S929	Y647-T925 HydrophobicContact CD2-CG2 4.47Å; Y647-T925 WeakPolarHBondContact CD2-OG1 3.4Å; Y647-T925 HydrophobicContact CE2-CG2 3.75Å; Y647-T925 WeakPolarHBondContact CE2-OG1 3.35Å; S923-T925 PolarHBondContact O-N 3.47Å; T925-L927 PolarHBondContact O-N 3.26Å; T925-L927 VanDerWaalsContact O-N 3.13Å; T925-L928 PolarHBondContact O-N 3.4Å; T925-S929 PolarHBondContact O-N 2.99Å; T925-S929 PolarHBondContact O-OG 3Å
926	E	75.7	Confident	77.3	Confident	62 Å²	62	41 Å²	41	29%	0.29	22%	0.218	S	C	.	.	H	α-helix	trans	-42.9	-47.7	176.2	-59.4	171.5	174.8	0	0	112.9	K495 I605 Q930	K495-E926 WeakPolarHBondContact CE-OE2 3.49Å; K495-E926 VanDerWaalsContact NZ-CD 3.29Å; K495-E926 IonicContact NZ-OE1 2.73Å; K495-E926 PolarHBondContact NZ-OE1 3.2Å; K495-E926 IonicContact NZ-OE2 3.64Å; K495-E926 PolarHBondContact NZ-OE2 3.22Å; I605-E926 WeakPolarHBondContact CD1-O 3.5Å; E926-Q930 WeakPolarHBondContact O-CB 3.43Å; E926-Q930 PolarHBondContact O-N 2.98Å
927	L	78.9	Confident	77.7	Confident	32 Å²	32	38 Å²	38	17%	0.168	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-41.7	-179.4	178.1	60.8	0	0	0	112.8	A643 T925 Q930 I931 T964	A643-L927 HydrophobicContact CB-CD1 4.47Å; T925-L927 PolarHBondContact O-N 3.26Å; T925-L927 VanDerWaalsContact O-N 3.13Å; L927-Q930 WeakPolarHBondContact O-CB 3.48Å; L927-Q930 PolarHBondContact O-N 3.33Å; L927-I931 HydrophobicContact CD1-CD1 4.37Å; L927-I931 HydrophobicContact CG-CD1 4.27Å; L927-I931 WeakPolarHBondContact O-CG1 3.1Å; L927-I931 PolarHBondContact O-N 3.48Å; L927-T964 HydrophobicContact CD1-CG2 4.49Å
928	L	80.8	Confident	78.2	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-71.3	-40.8	-179	-170.6	58.9	0	0	0	111.1	L644 Y647 I917 I920 Q924 T925 Q930 I931 L932	L644-L928 HydrophobicContact CD1-CD1 4.13Å; Y647-L928 HydrophobicContact CD2-CB 4.48Å; Y647-L928 HydrophobicContact CE1-CD2 4.29Å; Y647-L928 HydrophobicContact CE2-CB 4.4Å; Y647-L928 HydrophobicContact CE2-CD2 4.43Å; I917-L928 HydrophobicContact CD1-CD1 3.98Å; I917-L928 HydrophobicContact CG1-CD1 4.03Å; I917-L928 HydrophobicContact CG2-CD1 3.86Å; I917-L928 HydrophobicContact CG2-CD2 4.36Å; I917-L928 HydrophobicContact CG2-CG 4.35Å; I920-L928 HydrophobicContact CG2-CD2 4.25Å; Q924-L928 HydrophobicContact CG-CD2 4.23Å; T925-L928 PolarHBondContact O-N 3.4Å; L928-Q930 VanDerWaalsContact C-N 3.31Å; L928-Q930 PolarHBondContact O-N 3.31Å; L928-I931 PolarHBondContact O-N 2.84Å; L928-L932 HydrophobicContact CG-CD1 4.5Å; L928-L932 WeakPolarHBondContact O-CG 3.36Å; L928-L932 PolarHBondContact O-N 3.15Å; L928-L932 VanDerWaalsContact O-N 3.11Å
929	S	82.7	Confident	78.7	Confident	5 Å²	5	33.1 Å²	33.1	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-33.4	171.5	-60.7	0	0	0	0	111.9	I609 T925 L933	I609-S929 PolarHBondContact O-OG 3.38Å; T925-S929 PolarHBondContact O-N 2.99Å; T925-S929 PolarHBondContact O-OG 3Å; S929-L933 VanDerWaalsContact O-CB 3.26Å; S929-L933 WeakPolarHBondContact O-CB 3.31Å; S929-L933 PolarHBondContact O-N 3.14Å
930	Q	85.6	Confident	79.3	Confident	10 Å²	10	29.6 Å²	29.6	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-45.5	172.3	-166.6	-178.1	-17.1	0	0	112	L603 I605 E926 L927 L928 L932 L933 E934 T964	L603-Q930 HydrophobicContact CD1-CG 4.35Å; I605-Q930 HydrophobicContact CD1-CB 3.55Å; I605-Q930 HydrophobicContact CD1-CG 4Å; E926-Q930 WeakPolarHBondContact O-CB 3.43Å; E926-Q930 PolarHBondContact O-N 2.98Å; L927-Q930 WeakPolarHBondContact O-CB 3.48Å; L927-Q930 PolarHBondContact O-N 3.33Å; L928-Q930 VanDerWaalsContact C-N 3.31Å; L928-Q930 PolarHBondContact O-N 3.31Å; Q930-L932 VanDerWaalsContact C-N 3.32Å; Q930-L932 PolarHBondContact O-N 2.99Å; Q930-L933 PolarHBondContact O-N 2.82Å; Q930-E934 HydrophobicContact CG-CG 4.35Å; Q930-E934 PolarHBondContact NE2-OE1 3.07Å; Q930-E934 WeakPolarHBondContact O-CB 3.31Å; Q930-E934 WeakPolarHBondContact O-CG 3.46Å; Q930-E934 PolarHBondContact O-N 3.45Å; Q930-T964 HydrophobicContact CB-CG2 4.15Å; Q930-T964 HydrophobicContact CG-CG2 3.71Å
931	I	86.7	Confident	80.1	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-46	177.7	-72	165.3	0	0	0	110.4	P640 A643 F913 I917 L927 L928 E934 I935 T964	P640-I931 HydrophobicContact CG-CD1 4.45Å; P640-I931 HydrophobicContact CG-CG1 4.15Å; P640-I931 HydrophobicContact CG-CG2 3.91Å; A643-I931 HydrophobicContact CB-CD1 4.02Å; F913-I931 HydrophobicContact CE1-CG2 3.98Å; F913-I931 HydrophobicContact CZ-CG2 3.97Å; I917-I931 HydrophobicContact CD1-CG2 4.22Å; L927-I931 HydrophobicContact CD1-CD1 4.37Å; L927-I931 HydrophobicContact CG-CD1 4.27Å; L927-I931 WeakPolarHBondContact O-CG1 3.1Å; L927-I931 PolarHBondContact O-N 3.48Å; L928-I931 PolarHBondContact O-N 2.84Å; I931-E934 PolarHBondContact O-N 2.99Å; I931-I935 HydrophobicContact CG2-CD1 3.93Å; I931-I935 VanDerWaalsContact O-CG1 3.29Å; I931-I935 WeakPolarHBondContact O-CG1 3.37Å; I931-I935 PolarHBondContact O-N 3.46Å; I931-T964 HydrophobicContact CG1-CG2 3.76Å
932	L	87	Confident	81.6	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.2	-36.7	-179	-65.4	170.5	0	0	0	112.4	S611 I613 I623 L914 I917 L928 Q930 I935 M936	S611-L932 WeakPolarHBondContact OG-CD1 3.11Å; I613-L932 HydrophobicContact CD1-CD2 3.94Å; I613-L932 HydrophobicContact CG1-CD2 4.31Å; I623-L932 HydrophobicContact CD1-CD2 3.87Å; I623-L932 HydrophobicContact CG2-CB 4.29Å; L914-L932 HydrophobicContact CD2-CD2 4.38Å; I917-L932 HydrophobicContact CD1-CD2 4.23Å; I917-L932 HydrophobicContact CG2-CD1 4.05Å; I917-L932 HydrophobicContact CG2-CD2 4.24Å; L928-L932 HydrophobicContact CG-CD1 4.5Å; L928-L932 WeakPolarHBondContact O-CG 3.36Å; L928-L932 PolarHBondContact O-N 3.15Å; L928-L932 VanDerWaalsContact O-N 3.11Å; Q930-L932 VanDerWaalsContact C-N 3.32Å; Q930-L932 PolarHBondContact O-N 2.99Å; L932-I935 PolarHBondContact O-N 3.34Å; L932-M936 WeakPolarHBondContact O-CG 3.38Å; L932-M936 PolarHBondContact O-N 2.99Å
933	L	88.1	Confident	83	Confident	5 Å²	5	19.5 Å²	19.5	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-47.6	169.9	179.2	72.6	0	0	0	112.1	E55 L56 I61 S929 Q930 I935 M936 I937	E55-L933 HydrophobicContact CB-CD1 4.13Å; L56-L933 HydrophobicContact CD2-CD2 4.39Å; I61-L933 HydrophobicContact CD1-CD1 4.3Å; I61-L933 HydrophobicContact CD1-CD2 3.43Å; I61-L933 VanDerWaalsContact CD1-CD2 3.43Å; I61-L933 HydrophobicContact CD1-CG 4.48Å; S929-L933 VanDerWaalsContact O-CB 3.26Å; S929-L933 WeakPolarHBondContact O-CB 3.31Å; S929-L933 PolarHBondContact O-N 3.14Å; Q930-L933 PolarHBondContact O-N 2.82Å; L933-I935 VanDerWaalsContact C-N 3.32Å; L933-I935 PolarHBondContact O-N 3.26Å; L933-M936 PolarHBondContact O-N 2.89Å; L933-I937 HydrophobicContact CD1-CD1 4.3Å; L933-I937 HydrophobicContact CG-CD1 3.93Å; L933-I937 WeakPolarHBondContact O-CG1 3.2Å; L933-I937 PolarHBondContact O-N 3.33Å
934	E	90.9	Very high	83.8	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.4	-33.5	-179	-73.3	-175.1	-175.8	0	0	111.7	Q930 I931 I937 A938 L962 T964 L966	Q930-E934 HydrophobicContact CG-CG 4.35Å; Q930-E934 PolarHBondContact NE2-OE1 3.07Å; Q930-E934 WeakPolarHBondContact O-CB 3.31Å; Q930-E934 WeakPolarHBondContact O-CG 3.46Å; Q930-E934 PolarHBondContact O-N 3.45Å; I931-E934 PolarHBondContact O-N 2.99Å; E934-I937 PolarHBondContact O-N 2.86Å; E934-A938 WeakPolarHBondContact O-CB 3.43Å; E934-A938 PolarHBondContact O-N 2.99Å; E934-L962 HydrophobicContact CB-CD1 3.84Å; E934-L962 HydrophobicContact CG-CB 4.45Å; E934-L962 HydrophobicContact CG-CD1 3.81Å; E934-L962 WeakPolarHBondContact OE2-CB 3.47Å; E934-T964 VanDerWaalsContact OE2-CB 3.3Å; E934-T964 WeakPolarHBondContact OE2-CB 3.2Å; E934-T964 WeakPolarHBondContact OE2-CG2 3.21Å; E934-T964 PolarHBondContact OE2-N 2.75Å; E934-T964 PolarHBondContact OE2-OG1 2.71Å; E934-L966 VanDerWaalsContact C-CD2 3.43Å; E934-L966 HydrophobicContact CB-CD2 4.1Å; E934-L966 VanDerWaalsContact O-CD2 3.31Å; E934-L966 WeakPolarHBondContact O-CD2 3.42Å
935	I	90.4	Very high	84.1	Confident	6 Å²	6	18.4 Å²	18.4	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-67.3	-41.6	171.4	-66.6	166.2	0	0	0	111.8	I623 I628 L631 F913 L914 I931 L932 L933 I937 A938 E939 L966	I623-I935 HydrophobicContact CD1-CB 3.99Å; I623-I935 HydrophobicContact CD1-CG2 3.57Å; I628-I935 HydrophobicContact CD1-CG2 3.92Å; I628-I935 HydrophobicContact CG1-CG2 4.48Å; L631-I935 HydrophobicContact CD2-CG2 4.23Å; F913-I935 HydrophobicContact CD1-CD1 4.4Å; F913-I935 HydrophobicContact CE1-CD1 3.85Å; L914-I935 HydrophobicContact CD2-CD1 4.4Å; I931-I935 HydrophobicContact CG2-CD1 3.93Å; I931-I935 VanDerWaalsContact O-CG1 3.29Å; I931-I935 WeakPolarHBondContact O-CG1 3.37Å; I931-I935 PolarHBondContact O-N 3.46Å; L932-I935 PolarHBondContact O-N 3.34Å; L933-I935 VanDerWaalsContact C-N 3.32Å; L933-I935 PolarHBondContact O-N 3.26Å; I935-I937 VanDerWaalsContact C-N 3.33Å; I935-I937 PolarHBondContact O-N 3.18Å; I935-A938 PolarHBondContact O-N 3.07Å; I935-E939 PolarHBondContact O-N 3.18Å; I935-L966 HydrophobicContact CB-CD2 4.42Å; I935-L966 HydrophobicContact CG1-CD1 4.14Å; I935-L966 HydrophobicContact CG1-CD2 3.82Å
936	M	89.7	Confident	83.5	Confident	2 Å²	2	17 Å²	17	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-62.5	-39.9	173.7	-74.1	-167.3	-75	0	0	112.2	I623 V626 L932 L933 A938 K940	I623-M936 HydrophobicContact CB-CG 3.82Å; I623-M936 HydrophobicContact CB-SD 4.14Å; I623-M936 HydrophobicContact CD1-CG 4.44Å; I623-M936 HydrophobicContact CG2-CE 4.08Å; I623-M936 HydrophobicContact CG2-CG 3.76Å; I623-M936 HydrophobicContact CG2-SD 3.74Å; V626-M936 HydrophobicContact CB-CG 3.98Å; V626-M936 HydrophobicContact CB-SD 4.2Å; V626-M936 HydrophobicContact CG1-CB 4.5Å; V626-M936 HydrophobicContact CG1-CG 4.34Å; V626-M936 HydrophobicContact CG2-CB 4.3Å; V626-M936 HydrophobicContact CG2-CG 3.94Å; V626-M936 HydrophobicContact CG2-SD 3.7Å; L932-M936 WeakPolarHBondContact O-CG 3.38Å; L932-M936 PolarHBondContact O-N 2.99Å; L933-M936 PolarHBondContact O-N 2.89Å; M936-A938 VanDerWaalsContact C-N 3.35Å; M936-K940 WeakPolarHBondContact O-CB 3.36Å; M936-K940 WeakPolarHBondContact O-CG 3.4Å; M936-K940 PolarHBondContact O-N 3.41Å
937	I	91.6	Very high	82.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.5	-39	174.6	-71.5	166.9	0	0	0	110.9	F48 Y52 E55 L933 E934 I935 K940 D941	F48-I937 HydrophobicContact CE2-CG2 3.6Å; F48-I937 HydrophobicContact CZ-CG2 3.78Å; Y52-I937 HydrophobicContact CD1-CD1 4.39Å; Y52-I937 HydrophobicContact CD2-CD1 3.83Å; Y52-I937 HydrophobicContact CD2-CG2 3.92Å; Y52-I937 HydrophobicContact CE1-CD1 4.5Å; Y52-I937 HydrophobicContact CE2-CD1 3.94Å; Y52-I937 HydrophobicContact CG-CD1 4.05Å; E55-I937 HydrophobicContact CB-CD1 4.06Å; E55-I937 HydrophobicContact CB-CG1 3.82Å; E55-I937 HydrophobicContact CG-CG1 3.82Å; L933-I937 HydrophobicContact CD1-CD1 4.3Å; L933-I937 HydrophobicContact CG-CD1 3.93Å; L933-I937 WeakPolarHBondContact O-CG1 3.2Å; L933-I937 PolarHBondContact O-N 3.33Å; E934-I937 PolarHBondContact O-N 2.86Å; I935-I937 VanDerWaalsContact C-N 3.33Å; I935-I937 PolarHBondContact O-N 3.18Å; I937-K940 PolarHBondContact O-N 3.04Å; I937-D941 WeakPolarHBondContact O-CB 3.46Å; I937-D941 PolarHBondContact O-N 3.11Å
938	A	92.1	Very high	81.4	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68	-41	177.1	0	0	0	0	0	113	L631 E934 I935 M936 D941 V942 L966 W968	L631-A938 HydrophobicContact CD1-CB 3.94Å; L631-A938 HydrophobicContact CD2-CB 3.84Å; E934-A938 WeakPolarHBondContact O-CB 3.43Å; E934-A938 PolarHBondContact O-N 2.99Å; I935-A938 PolarHBondContact O-N 3.07Å; M936-A938 VanDerWaalsContact C-N 3.35Å; A938-D941 PolarHBondContact O-N 3.25Å; A938-V942 WeakPolarHBondContact O-CB 3.48Å; A938-V942 WeakPolarHBondContact O-CG2 3.39Å; A938-V942 PolarHBondContact O-N 2.85Å; A938-L966 HydrophobicContact CB-CD2 3.85Å; A938-W968 HydrophobicContact CB-CD2 3.89Å; A938-W968 HydrophobicContact CB-CE3 3.7Å; A938-W968 HydrophobicContact CB-CH2 3.78Å; A938-W968 HydrophobicContact CB-CZ2 3.97Å; A938-W968 HydrophobicContact CB-CZ3 3.65Å
939	E	91	Very high	80.4	Confident	5 Å²	5	23.5 Å²	23.5	2%	0.023	13%	0.128	C	C	.	.	H	α-helix	trans	-66.8	-36.4	173.7	174.9	66.2	-140	0	0	111.5	V626 L627 I628 K629 N630 L631 I935 V942 S943	V626-E939 HydrophobicContact CG1-CB 4.11Å; V626-E939 HydrophobicContact CG1-CG 3.85Å; L627-E939 VanDerWaalsContact O-CD 3.23Å; L627-E939 WeakPolarHBondContact O-CG 3.39Å; I628-E939 WeakPolarHBondContact CA-OE2 3.06Å; I628-E939 HydrophobicContact CD1-CB 3.86Å; I628-E939 HydrophobicContact CD1-CG 4.14Å; K629-E939 PolarHBondContact N-OE2 3.01Å; N630-E939 WeakPolarHBondContact CA-OE1 3.39Å; N630-E939 WeakPolarHBondContact CB-OE1 3.33Å; N630-E939 PolarHBondContact N-OE1 3.24Å; N630-E939 PolarHBondContact N-OE2 3.37Å; N630-E939 PolarHBondContact ND2-OE1 3.42Å; L631-E939 HydrophobicContact CB-CB 4.28Å; L631-E939 WeakPolarHBondContact CB-OE2 3.4Å; L631-E939 HydrophobicContact CD2-CB 4.28Å; L631-E939 PolarHBondContact N-OE2 3.09Å; I935-E939 PolarHBondContact O-N 3.18Å; E939-V942 PolarHBondContact O-N 3.09Å; E939-S943 VanDerWaalsContact O-CB 3.25Å; E939-S943 WeakPolarHBondContact O-CB 3.35Å; E939-S943 PolarHBondContact O-N 2.82Å; E939-S943 PolarHBondContact O-OG 3.29Å
940	K	89.3	Confident	79.6	Confident	33 Å²	33	31.1 Å²	31.1	14%	0.143	16%	0.16	C	C	.	.	H	α-helix	trans	-66.5	-45.5	173.9	-74.4	172.9	178.7	176.7	0	112	V51 E55 M936 I937 V942 S943 E944	V51-K940 HydrophobicContact CG1-CB 3.74Å; E55-K940 HydrophobicContact CG-CD 4.13Å; E55-K940 IonicContact OE1-NZ 2.78Å; E55-K940 PolarHBondContact OE1-NZ 3.24Å; E55-K940 IonicContact OE2-NZ 3.1Å; E55-K940 PolarHBondContact OE2-NZ 3.4Å; M936-K940 WeakPolarHBondContact O-CB 3.36Å; M936-K940 WeakPolarHBondContact O-CG 3.4Å; M936-K940 PolarHBondContact O-N 3.41Å; I937-K940 PolarHBondContact O-N 3.04Å; K940-V942 PolarHBondContact O-N 2.78Å; K940-S943 WeakPolarHBondContact CA-OG 3.13Å; K940-S943 PolarHBondContact O-N 2.84Å; K940-S943 PolarHBondContact O-OG 3.29Å; K940-S943 VanDerWaalsContact O-OG 3.14Å; K940-E944 WeakPolarHBondContact O-CB 3.31Å; K940-E944 PolarHBondContact O-N 2.84Å
941	D	89.9	Confident	78.9	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.027	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-48.4	171.8	177.9	76.4	0	0	0	111.6	F48 I937 A938 S943 S945 R958 W968	F48-D941 HydrophobicContact CD2-CB 3.81Å; F48-D941 WeakPolarHBondContact CD2-OD1 3.33Å; F48-D941 HydrophobicContact CE2-CB 4.02Å; I937-D941 WeakPolarHBondContact O-CB 3.46Å; I937-D941 PolarHBondContact O-N 3.11Å; A938-D941 PolarHBondContact O-N 3.25Å; D941-S943 PolarHBondContact O-N 2.94Å; D941-S945 VanDerWaalsContact O-CA 3.3Å; D941-S945 WeakPolarHBondContact O-CA 3.5Å; D941-S945 WeakPolarHBondContact O-CB 3.45Å; D941-S945 PolarHBondContact O-N 3.36Å; D941-S945 PolarHBondContact O-OG 2.93Å; D941-R958 IonicContact OD1-CZ 3.33Å; D941-R958 IonicContact OD1-NH1 3.24Å; D941-R958 PolarHBondContact OD1-NH1 3.22Å; D941-R958 IonicContact OD1-NH2 2.94Å; D941-R958 PolarHBondContact OD1-NH2 2.88Å; D941-R958 IonicContact OD2-CZ 3.63Å; D941-R958 IonicContact OD2-NH1 3.71Å; D941-R958 PolarHBondContact OD2-NH1 2.99Å; D941-R958 IonicContact OD2-NH2 3.66Å; D941-W968 HydrophobicContact CB-CZ2 3.91Å; D941-W968 PolarHBondContact OD2-NE1 3.42Å
942	V	86.5	Confident	78.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.4	-31.1	-177.7	177.4	0	0	0	0	112.3	N630 L631 K634 A635 A938 E939 K940 A946 W968 I970	N630-V942 HydrophobicContact CB-CG1 4.12Å; N630-V942 WeakPolarHBondContact O-CG1 3.38Å; L631-V942 HydrophobicContact CD1-CG2 3.86Å; K634-V942 HydrophobicContact CB-CG1 3.7Å; K634-V942 HydrophobicContact CD-CG1 4.43Å; A635-V942 HydrophobicContact CB-CG1 4.47Å; A635-V942 HydrophobicContact CB-CG2 4.06Å; A938-V942 WeakPolarHBondContact O-CB 3.48Å; A938-V942 WeakPolarHBondContact O-CG2 3.39Å; A938-V942 PolarHBondContact O-N 2.85Å; E939-V942 PolarHBondContact O-N 3.09Å; K940-V942 PolarHBondContact O-N 2.78Å; V942-A946 HydrophobicContact CG1-CB 4.29Å; V942-A946 WeakPolarHBondContact O-CB 3.41Å; V942-A946 PolarHBondContact O-N 3.34Å; V942-A946 VanDerWaalsContact O-N 3.13Å; V942-W968 VanDerWaalsContact CG2-CD1 3.47Å; V942-W968 HydrophobicContact CG2-CG 4.41Å; V942-I970 HydrophobicContact CG2-CD1 4.23Å; V942-I970 HydrophobicContact CG2-CG1 4.4Å
943	S	83.4	Confident	77.5	Confident	37 Å²	37	40.1 Å²	40.1	26%	0.259	22%	0.215	S	C	.	.	H	α-helix	trans	-73.8	-50	176	54.8	0	0	0	0	112.9	E939 K940 D941	E939-S943 VanDerWaalsContact O-CB 3.25Å; E939-S943 WeakPolarHBondContact O-CB 3.35Å; E939-S943 PolarHBondContact O-N 2.82Å; E939-S943 PolarHBondContact O-OG 3.29Å; K940-S943 WeakPolarHBondContact CA-OG 3.13Å; K940-S943 PolarHBondContact O-N 2.84Å; K940-S943 PolarHBondContact O-OG 3.29Å; K940-S943 VanDerWaalsContact O-OG 3.14Å; D941-S943 PolarHBondContact O-N 2.94Å
944	E	73.7	Confident	77.2	Confident	117 Å²	117	41.3 Å²	41.3	55%	0.547	22%	0.223	S	C	.	.	H	α-helix	trans	-73.1	-37.7	178.4	-65.4	-177	-167.2	0	0	112.8	K940 S948	K940-E944 WeakPolarHBondContact O-CB 3.31Å; K940-E944 PolarHBondContact O-N 2.84Å; E944-S948 PolarHBondContact O-OG 3.23Å
945	S	63.1	Low	76.9	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-88.1	-36.9	-173.3	90.1	0	0	0	0	113.4	D941 E947 S948 I949	D941-S945 VanDerWaalsContact O-CA 3.3Å; D941-S945 WeakPolarHBondContact O-CA 3.5Å; D941-S945 WeakPolarHBondContact O-CB 3.45Å; D941-S945 PolarHBondContact O-N 3.36Å; D941-S945 PolarHBondContact O-OG 2.93Å; S945-E947 PolarHBondContact O-N 3.42Å; S945-S948 CarbonylContact O-C 3.56Å; S945-S948 PolarHBondContact O-N 3.25Å; S945-S948 PolarHBondContact O-OG 3.09Å; S945-I949 WeakPolarHBondContact O-CA 3.49Å; S945-I949 VanDerWaalsContact O-CB 3.26Å; S945-I949 WeakPolarHBondContact O-CB 3.46Å; S945-I949 WeakPolarHBondContact O-CG1 3.33Å; S945-I949 PolarHBondContact O-N 3Å
946	A	56.6	Low	76.6	Confident	28 Å²	28	43 Å²	43	23%	0.231	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-4	-177.9	0	0	0	0	0	114.4	K634 V942	K634-A946 HydrophobicContact CB-CB 4.14Å; K634-A946 HydrophobicContact CD-CB 3.52Å; K634-A946 HydrophobicContact CG-CB 4.47Å; V942-A946 HydrophobicContact CG1-CB 4.29Å; V942-A946 WeakPolarHBondContact O-CB 3.41Å; V942-A946 PolarHBondContact O-N 3.34Å; V942-A946 VanDerWaalsContact O-N 3.13Å
947	E	55.9	Low	76.5	Confident	148 Å²	148	43 Å²	43	69%	0.692	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-13.9	170.4	-56	-166.2	177.9	0	0	112.8	K634 S945	K634-E947 VanDerWaalsContact NZ-CG 3.3Å; K634-E947 IonicContact NZ-OE1 3.81Å; K634-E947 PolarHBondContact NZ-OE1 3.3Å; S945-E947 PolarHBondContact O-N 3.42Å
948	S	54.3	Low	76.4	Confident	70 Å²	70	43.1 Å²	43.1	49%	0.49	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-19.3	-178.2	64.6	0	0	0	0	114.4	E944 S945 K950	E944-S948 PolarHBondContact O-OG 3.23Å; S945-S948 CarbonylContact O-C 3.56Å; S945-S948 PolarHBondContact O-N 3.25Å; S945-S948 PolarHBondContact O-OG 3.09Å; S948-K950 PolarHBondContact O-N 3.18Å
949	I	60.9	Low	76.2	Confident	15 Å²	15	43.4 Å²	43.4	8%	0.077	23%	0.234	C	C	.	.			trans	-88.4	90.3	166.8	-58.6	-175.6	0	0	0	107.6	K44 S945 L951	K44-I949 HydrophobicContact CB-CD1 4.08Å; K44-I949 HydrophobicContact CB-CG1 4.33Å; K44-I949 HydrophobicContact CG-CD1 3.74Å; K44-I949 HydrophobicContact CG-CG1 3.45Å; K44-I949 VanDerWaalsContact CG-CG1 3.45Å; S945-I949 WeakPolarHBondContact O-CA 3.49Å; S945-I949 VanDerWaalsContact O-CB 3.26Å; S945-I949 WeakPolarHBondContact O-CB 3.46Å; S945-I949 WeakPolarHBondContact O-CG1 3.33Å; S945-I949 PolarHBondContact O-N 3Å; I949-L951 HydrophobicContact CG2-CD2 3.5Å; I949-L951 HydrophobicContact CG2-CG 3.73Å; I949-L951 PolarHBondContact O-N 3.31Å
950	K	64.1	Low	76.3	Confident	165 Å²	165	43.1 Å²	43.1	72%	0.717	23%	0.233	S	C	*	.			trans	-77.4	96.6	152	-67.1	-170.7	176.8	-172.9	0	107.3	S948 N952	S948-K950 PolarHBondContact O-N 3.18Å; K950-N952 PolarHBondContact O-N 2.67Å
951	L	70.9	Confident	76.3	Confident	16 Å²	16	41.6 Å²	41.6	8%	0.084	23%	0.227	C	C	.	.			trans	-59.2	129.2	161.2	-66.2	-177.7	0	0	0	107	I949 I955 R958 I970 I972	I949-L951 HydrophobicContact CG2-CD2 3.5Å; I949-L951 HydrophobicContact CG2-CG 3.73Å; I949-L951 PolarHBondContact O-N 3.31Å; L951-I955 HydrophobicContact CD2-CG2 4.04Å; L951-R958 HydrophobicContact CD1-CB 4.5Å; L951-R958 HydrophobicContact CD2-CB 4.34Å; L951-I970 VanDerWaalsContact CD1-O 3.3Å; L951-I970 WeakPolarHBondContact CD1-O 3.42Å; L951-I972 HydrophobicContact CB-CB 4.13Å; L951-I972 HydrophobicContact CB-CD1 4.24Å; L951-I972 HydrophobicContact CB-CG1 4.09Å; L951-I972 VanDerWaalsContact O-CD1 3.25Å; L951-I972 WeakPolarHBondContact O-CD1 3.45Å
952	N	73.6	Confident	76.4	Confident	103 Å²	103	41.4 Å²	41.4	55%	0.551	23%	0.226	S	C	*	.			trans	-134.6	155.2	179.5	-62.7	-35	0	0	0	106.7	K950 I955	K950-N952 PolarHBondContact O-N 2.67Å; N952-I955 PolarHBondContact O-N 3.35Å
953	S	72	Confident	76.4	Confident	82 Å²	82	42.3 Å²	42.3	57%	0.573	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.5	131.6	167.6	172.6	0	0	0	0	110.9	E1163	S953-E1163 VanDerWaalsContact CA-OE1 3.23Å; S953-E1163 WeakPolarHBondContact CA-OE1 3.32Å; S953-E1163 WeakPolarHBondContact CB-OE1 3.41Å; S953-E1163 VanDerWaalsContact OG-CD 3.27Å; S953-E1163 PolarHBondContact OG-OE1 3.36Å; S953-E1163 PolarHBondContact OG-OE2 3.36Å
954	P	80.6	Confident	76.5	Confident	30 Å²	30	41.1 Å²	41.1	20%	0.195	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.7	17.4	12.6	39.3	-38.9	0	0	0	115.6	L1162 E1163 Y1166	P954-L1162 HydrophobicContact CG-CD2 4.46Å; P954-L1162 CarbonylContact O-C 3.58Å; P954-L1162 WeakPolarHBondContact O-CA 3.21Å; P954-E1163 WeakPolarHBondContact CA-OE2 3.29Å; P954-E1163 PolarHBondContact O-N 3.36Å; P954-Y1166 HydrophobicContact CB-CD1 4.12Å; P954-Y1166 HydrophobicContact CB-CD2 3.44Å; P954-Y1166 VanDerWaalsContact CB-CD2 3.44Å; P954-Y1166 HydrophobicContact CB-CE1 4.47Å; P954-Y1166 HydrophobicContact CB-CE2 3.87Å; P954-Y1166 HydrophobicContact CB-CG 3.59Å; P954-Y1166 HydrophobicContact CG-CD1 4.21Å; P954-Y1166 HydrophobicContact CG-CD2 3.84Å; P954-Y1166 HydrophobicContact CG-CE1 4.08Å; P954-Y1166 HydrophobicContact CG-CE2 3.72Å; P954-Y1166 HydrophobicContact CG-CG 4.09Å
955	I	84.5	Confident	76.9	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.5	-175.4	-48.9	179.6	0	0	0	110.8	V38 T42 L951 N952 I1160 T1161 L1162	V38-I955 HydrophobicContact CG1-CD1 3.46Å; V38-I955 VanDerWaalsContact CG1-CD1 3.46Å; T42-I955 HydrophobicContact CG2-CD1 3.69Å; L951-I955 HydrophobicContact CD2-CG2 4.04Å; N952-I955 PolarHBondContact O-N 3.35Å; I955-I1160 HydrophobicContact CG2-CB 4.19Å; I955-I1160 HydrophobicContact CG2-CG2 4.47Å; I955-T1161 WeakPolarHBondContact CA-O 3.45Å; I955-L1162 HydrophobicContact CG1-CD2 4.38Å
956	I	85.4	Confident	78.2	Confident	35 Å²	35	35.6 Å²	35.6	18%	0.179	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-47	177.8	-28.1	178.6	0	0	0	111.1	I972 E976 P1137 T1161 L1162 E1163	I956-I972 HydrophobicContact CB-CG2 4.49Å; I956-I972 HydrophobicContact CG2-CG2 3.67Å; I956-I972 WeakPolarHBondContact O-CB 3.35Å; I956-I972 VanDerWaalsContact O-CG2 3.25Å; I956-I972 WeakPolarHBondContact O-CG2 3.47Å; I956-I972 PolarHBondContact O-N 3.01Å; I956-E976 VanDerWaalsContact CG2-CD 3.41Å; I956-E976 HydrophobicContact CG2-CG 4.17Å; I956-E976 WeakPolarHBondContact CG2-OE1 3.31Å; I956-E976 WeakPolarHBondContact CG2-OE2 3.43Å; I956-P1137 HydrophobicContact CD1-CB 4.26Å; I956-T1161 HydrophobicContact CD1-CG2 4.3Å; I956-T1161 PolarHBondContact N-O 3.47Å; I956-L1162 WeakPolarHBondContact CD1-O 3.48Å; I956-E1163 HydrophobicContact CG1-CG 4.03Å
957	S	87.5	Confident	79.7	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.6	-175.6	45.3	0	0	0	0	113.9	I970 E976 I1160 T1161	S957-I970 WeakPolarHBondContact CA-O 3.43Å; S957-E976 WeakPolarHBondContact CB-OE1 3.42Å; S957-E976 PolarHBondContact OG-OE1 2.93Å; S957-I1160 WeakPolarHBondContact O-CA 3.43Å; S957-T1161 PolarHBondContact O-N 3.22Å; S957-T1161 WeakPolarHBondContact OG-CB 3.21Å; S957-T1161 PolarHBondContact OG-OG1 2.83Å
958	R	88.8	Confident	81.3	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.4	174.4	170.5	-173.2	179.4	-103.4	16.2	109.2	A43 D941 L951 T969 I970 G1159	A43-R958 PolarHBondContact O-NE 2.87Å; A43-R958 PolarHBondContact O-NH2 2.85Å; D941-R958 IonicContact OD1-CZ 3.33Å; D941-R958 IonicContact OD1-NH1 3.24Å; D941-R958 PolarHBondContact OD1-NH1 3.22Å; D941-R958 IonicContact OD1-NH2 2.94Å; D941-R958 PolarHBondContact OD1-NH2 2.88Å; D941-R958 IonicContact OD2-CZ 3.63Å; D941-R958 IonicContact OD2-NH1 3.71Å; D941-R958 PolarHBondContact OD2-NH1 2.99Å; D941-R958 IonicContact OD2-NH2 3.66Å; L951-R958 HydrophobicContact CD1-CB 4.5Å; L951-R958 HydrophobicContact CD2-CB 4.34Å; R958-T969 CarbonylContact O-C 3.56Å; R958-T969 VanDerWaalsContact O-CA 3.3Å; R958-T969 WeakPolarHBondContact O-CA 3.31Å; R958-I970 PolarHBondContact N-O 3.01Å; R958-I970 PolarHBondContact O-N 3.31Å; R958-G1159 WeakPolarHBondContact CA-O 3.14Å
959	T	89.2	Confident	82.9	Confident	5 Å²	5	24.3 Å²	24.3	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.6	179.6	-56.7	0	0	0	0	110.8	I967 W968 T969 M1158 G1159	T959-I967 HydrophobicContact CG2-CG2 3.82Å; T959-W968 CarbonylContact C-O 3.54Å; T959-W968 WeakPolarHBondContact CA-O 3.41Å; T959-T969 WeakPolarHBondContact CB-OG1 3.31Å; T959-T969 WeakPolarHBondContact CG2-OG1 3.37Å; T959-T969 WeakPolarHBondContact OG1-CG2 3.27Å; T959-T969 PolarHBondContact OG1-OG1 3.07Å; T959-M1158 CarbonylContact O-C 3.58Å; T959-M1158 WeakPolarHBondContact O-CA 3.33Å; T959-G1159 PolarHBondContact N-O 2.86Å; T959-G1159 PolarHBondContact O-N 3.31Å
960	I	91.6	Very high	84.1	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.5	165.2	-64.5	169.2	0	0	0	108	F48 L962 I967 W968 I1144 V1157 M1158	F48-I960 HydrophobicContact CD1-CD1 4.38Å; F48-I960 HydrophobicContact CD2-CD1 3.76Å; F48-I960 HydrophobicContact CE1-CG2 4.44Å; F48-I960 HydrophobicContact CE2-CD1 3.96Å; F48-I960 HydrophobicContact CG-CD1 3.99Å; F48-I960 HydrophobicContact CZ-CD1 4.36Å; F48-I960 HydrophobicContact CZ-CG2 4.22Å; I960-L962 HydrophobicContact CG2-CD2 3.82Å; I960-L962 HydrophobicContact CG2-CG 4.1Å; I960-I967 CarbonylContact O-C 3.58Å; I960-I967 VanDerWaalsContact O-CA 3.27Å; I960-I967 WeakPolarHBondContact O-CA 3.49Å; I960-I967 VanDerWaalsContact O-CG2 3.31Å; I960-I967 WeakPolarHBondContact O-CG2 3.35Å; I960-W968 HydrophobicContact CB-CD2 4.11Å; I960-W968 HydrophobicContact CB-CE3 4.24Å; I960-W968 HydrophobicContact CB-CH2 3.96Å; I960-W968 HydrophobicContact CB-CZ2 3.79Å; I960-W968 HydrophobicContact CB-CZ3 4.17Å; I960-W968 HydrophobicContact CD1-CH2 4.24Å; I960-W968 HydrophobicContact CD1-CZ2 3.47Å; I960-W968 VanDerWaalsContact CD1-CZ2 3.47Å; I960-W968 HydrophobicContact CG1-CZ2 4.22Å; I960-W968 HydrophobicContact CG2-CE3 4.28Å; I960-W968 HydrophobicContact CG2-CH2 3.46Å; I960-W968 VanDerWaalsContact CG2-CH2 3.46Å; I960-W968 HydrophobicContact CG2-CZ2 3.78Å; I960-W968 HydrophobicContact CG2-CZ3 3.73Å; I960-W968 PolarHBondContact N-O 3.19Å; I960-W968 PolarHBondContact O-N 3.44Å; I960-I1144 HydrophobicContact CG2-CD1 3.86Å; I960-V1157 WeakPolarHBondContact CA-O 3.41Å; I960-M1158 HydrophobicContact CD1-CE 3.71Å; I960-M1158 HydrophobicContact CG1-CE 3.81Å; I960-M1158 HydrophobicContact CG1-CG 4.36Å
961	A	90.3	Very high	84.8	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.008	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.8	167.9	0	0	0	0	0	108.7	I967 W985 F991 G1156 V1157	A961-I967 HydrophobicContact CB-CB 4.37Å; A961-I967 HydrophobicContact CB-CD1 3.95Å; A961-I967 HydrophobicContact CB-CG1 3.72Å; A961-I967 HydrophobicContact CB-CG2 4.14Å; A961-W985 HydrophobicContact CB-CE3 4.01Å; A961-W985 HydrophobicContact CB-CH2 4.23Å; A961-W985 HydrophobicContact CB-CZ3 3.53Å; A961-F991 HydrophobicContact CB-CE1 4.2Å; A961-F991 HydrophobicContact CB-CE2 4.49Å; A961-F991 HydrophobicContact CB-CZ 4.03Å; A961-G1156 CarbonylContact O-C 3.59Å; A961-G1156 WeakPolarHBondContact O-CA 3.47Å; A961-V1157 PolarHBondContact N-O 3.29Å; A961-V1157 PolarHBondContact O-N 2.81Å
962	L	91.5	Very high	85.1	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	164.4	180	-61.6	-177.3	0	0	0	112.2	F48 Y52 E934 I960 T964 G965 L966 W968 W985 I1144 A1155	F48-L962 HydrophobicContact CE1-CD2 4.15Å; F48-L962 HydrophobicContact CZ-CD1 4.38Å; F48-L962 HydrophobicContact CZ-CD2 3.96Å; Y52-L962 HydrophobicContact CE2-CD1 4.16Å; Y52-L962 HydrophobicContact CE2-CD2 4.21Å; E934-L962 HydrophobicContact CB-CD1 3.84Å; E934-L962 HydrophobicContact CG-CB 4.45Å; E934-L962 HydrophobicContact CG-CD1 3.81Å; E934-L962 WeakPolarHBondContact OE2-CB 3.47Å; I960-L962 HydrophobicContact CG2-CD2 3.82Å; I960-L962 HydrophobicContact CG2-CG 4.1Å; L962-T964 PolarHBondContact O-N 2.72Å; L962-G965 PolarHBondContact O-N 2.66Å; L962-L966 PolarHBondContact N-O 3.09Å; L962-W968 HydrophobicContact CD1-CH2 3.76Å; L962-W968 HydrophobicContact CD1-CZ3 3.7Å; L962-W968 HydrophobicContact CG-CH2 4.08Å; L962-W968 HydrophobicContact CG-CZ3 3.83Å; L962-W985 WeakPolarHBondContact O-CZ2 3.1Å; L962-I1144 HydrophobicContact CD2-CD1 4.41Å; L962-A1155 WeakPolarHBondContact CD2-O 3.48Å
963	N	86.7	Confident	84.9	Confident	20 Å²	20	20 Å²	20	11%	0.107	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.4	-169.1	-71	2.7	0	0	0	114.2	P498 G965 W985 Y995 Y1153 K1154 A1155 G1156	P498-N963 HydrophobicContact CG-CB 4.27Å; N963-G965 VanDerWaalsContact C-N 3.29Å; N963-G965 PolarHBondContact O-N 2.59Å; N963-W985 PolarHBondContact O-NE1 2.69Å; N963-Y995 PolarHBondContact OD1-OH 2.58Å; N963-Y1153 VanDerWaalsContact ND2-CZ 3.33Å; N963-Y1153 PolarHBondContact ND2-OH 3.48Å; N963-K1154 PolarHBondContact ND2-O 3.05Å; N963-K1154 PolarHBondContact OD1-O 3.04Å; N963-A1155 PolarHBondContact N-O 3.08Å; N963-A1155 PolarHBondContact OD1-O 3.43Å; N963-A1155 VanDerWaalsContact OD1-O 3.06Å; N963-G1156 PolarHBondContact OD1-N 2.84Å
964	T	84.5	Confident	84.4	Confident	12 Å²	12	19.7 Å²	19.7	7%	0.074	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.4	175.1	60.1	0	0	0	0	114.8	P640 L927 Q930 I931 E934 L962 L966	P640-T964 WeakPolarHBondContact CB-O 3.3Å; L927-T964 HydrophobicContact CD1-CG2 4.49Å; Q930-T964 HydrophobicContact CB-CG2 4.15Å; Q930-T964 HydrophobicContact CG-CG2 3.71Å; I931-T964 HydrophobicContact CG1-CG2 3.76Å; E934-T964 VanDerWaalsContact OE2-CB 3.3Å; E934-T964 WeakPolarHBondContact OE2-CB 3.2Å; E934-T964 WeakPolarHBondContact OE2-CG2 3.21Å; E934-T964 PolarHBondContact OE2-N 2.75Å; E934-T964 PolarHBondContact OE2-OG1 2.71Å; L962-T964 PolarHBondContact O-N 2.72Å; T964-L966 PolarHBondContact OG1-N 3.5Å
965	G	83.7	Confident	83.2	Confident	5 Å²	5	23.3 Å²	23.3	5%	0.052	13%	0.13	C	C	.	.	S	Bend	trans	95.6	8.9	-169.9	0	0	0	0	0	114.9	L962 N963 I967 W985	L962-G965 PolarHBondContact O-N 2.66Å; N963-G965 VanDerWaalsContact C-N 3.29Å; N963-G965 PolarHBondContact O-N 2.59Å; G965-I967 PolarHBondContact O-N 2.81Å; G965-W985 VanDerWaalsContact CA-CG 3.46Å
966	L	89.3	Confident	82.1	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.136	C	C	.	.			trans	-67.3	122.5	162.7	-178.6	68.5	0	0	0	109.4	I637 L639 P640 E934 I935 A938 L962 T964 W968	I637-L966 HydrophobicContact CG2-CD1 4.29Å; L639-L966 HydrophobicContact CD2-CD1 4.18Å; P640-L966 HydrophobicContact CG-CB 4.45Å; E934-L966 VanDerWaalsContact C-CD2 3.43Å; E934-L966 HydrophobicContact CB-CD2 4.1Å; E934-L966 VanDerWaalsContact O-CD2 3.31Å; E934-L966 WeakPolarHBondContact O-CD2 3.42Å; I935-L966 HydrophobicContact CB-CD2 4.42Å; I935-L966 HydrophobicContact CG1-CD1 4.14Å; I935-L966 HydrophobicContact CG1-CD2 3.82Å; A938-L966 HydrophobicContact CB-CD2 3.85Å; L962-L966 PolarHBondContact N-O 3.09Å; T964-L966 PolarHBondContact OG1-N 3.5Å; L966-W968 HydrophobicContact CD2-CE3 4.38Å; L966-W968 HydrophobicContact CD2-CZ3 4.16Å; L966-W968 HydrophobicContact CG-CE3 4.25Å; L966-W968 HydrophobicContact CG-CZ3 4.36Å
967	I	89.3	Confident	80.8	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.2	176.6	-48.3	-172.9	0	0	0	109	I637 I638 T959 I960 A961 G965 L982 W985 F991	I637-I967 CarbonylContact C-O 3.56Å; I637-I967 VanDerWaalsContact CA-O 3.32Å; I637-I967 WeakPolarHBondContact CA-O 3.46Å; I638-I967 HydrophobicContact CB-CB 4.15Å; I638-I967 HydrophobicContact CD1-CB 4.14Å; I638-I967 HydrophobicContact CD1-CD1 4Å; I638-I967 HydrophobicContact CD1-CG1 4.45Å; I638-I967 HydrophobicContact CD1-CG2 4.43Å; I638-I967 PolarHBondContact N-O 2.81Å; I638-I967 PolarHBondContact O-N 2.87Å; T959-I967 HydrophobicContact CG2-CG2 3.82Å; I960-I967 CarbonylContact O-C 3.58Å; I960-I967 VanDerWaalsContact O-CA 3.27Å; I960-I967 WeakPolarHBondContact O-CA 3.49Å; I960-I967 VanDerWaalsContact O-CG2 3.31Å; I960-I967 WeakPolarHBondContact O-CG2 3.35Å; A961-I967 HydrophobicContact CB-CB 4.37Å; A961-I967 HydrophobicContact CB-CD1 3.95Å; A961-I967 HydrophobicContact CB-CG1 3.72Å; A961-I967 HydrophobicContact CB-CG2 4.14Å; G965-I967 PolarHBondContact O-N 2.81Å; I967-L982 WeakPolarHBondContact CD1-O 3.18Å; I967-W985 HydrophobicContact CD1-CE3 4.18Å; I967-F991 HydrophobicContact CD1-CE2 4.05Å; I967-F991 HydrophobicContact CD1-CZ 4.29Å
968	W	89.2	Confident	79.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.7	168	69.3	104.3	0	0	0	111.9	F48 L631 A635 K636 I637 A938 D941 V942 T959 I960 L962 L966	F48-W968 HydrophobicContact CD2-CZ2 4.34Å; F48-W968 AromaticContact CE2-CH2 3.7Å; F48-W968 HydrophobicContact CE2-CH2 3.7Å; F48-W968 AromaticContact CE2-CZ2 3.6Å; F48-W968 HydrophobicContact CE2-CZ2 3.6Å; F48-W968 AromaticContact CZ-CH2 3.85Å; F48-W968 HydrophobicContact CZ-CH2 3.85Å; F48-W968 HydrophobicContact CZ-CZ2 4.18Å; L631-W968 HydrophobicContact CD1-CB 4.17Å; L631-W968 HydrophobicContact CD1-CG 4.29Å; A635-W968 HydrophobicContact CB-CB 4.24Å; K636-W968 CarbonylContact O-C 3.58Å; K636-W968 VanDerWaalsContact O-CA 3.31Å; K636-W968 WeakPolarHBondContact O-CA 3.29Å; I637-W968 HydrophobicContact CG1-CB 4.03Å; A938-W968 HydrophobicContact CB-CD2 3.89Å; A938-W968 HydrophobicContact CB-CE3 3.7Å; A938-W968 HydrophobicContact CB-CH2 3.78Å; A938-W968 HydrophobicContact CB-CZ2 3.97Å; A938-W968 HydrophobicContact CB-CZ3 3.65Å; D941-W968 HydrophobicContact CB-CZ2 3.91Å; D941-W968 PolarHBondContact OD2-NE1 3.42Å; V942-W968 VanDerWaalsContact CG2-CD1 3.47Å; V942-W968 HydrophobicContact CG2-CG 4.41Å; T959-W968 CarbonylContact C-O 3.54Å; T959-W968 WeakPolarHBondContact CA-O 3.41Å; I960-W968 HydrophobicContact CB-CD2 4.11Å; I960-W968 HydrophobicContact CB-CE3 4.24Å; I960-W968 HydrophobicContact CB-CH2 3.96Å; I960-W968 HydrophobicContact CB-CZ2 3.79Å; I960-W968 HydrophobicContact CB-CZ3 4.17Å; I960-W968 HydrophobicContact CD1-CH2 4.24Å; I960-W968 HydrophobicContact CD1-CZ2 3.47Å; I960-W968 VanDerWaalsContact CD1-CZ2 3.47Å; I960-W968 HydrophobicContact CG1-CZ2 4.22Å; I960-W968 HydrophobicContact CG2-CE3 4.28Å; I960-W968 HydrophobicContact CG2-CH2 3.46Å; I960-W968 VanDerWaalsContact CG2-CH2 3.46Å; I960-W968 HydrophobicContact CG2-CZ2 3.78Å; I960-W968 HydrophobicContact CG2-CZ3 3.73Å; I960-W968 PolarHBondContact N-O 3.19Å; I960-W968 PolarHBondContact O-N 3.44Å; L962-W968 HydrophobicContact CD1-CH2 3.76Å; L962-W968 HydrophobicContact CD1-CZ3 3.7Å; L962-W968 HydrophobicContact CG-CH2 4.08Å; L962-W968 HydrophobicContact CG-CZ3 3.83Å; L966-W968 HydrophobicContact CD2-CE3 4.38Å; L966-W968 HydrophobicContact CD2-CZ3 4.16Å; L966-W968 HydrophobicContact CG-CE3 4.25Å; L966-W968 HydrophobicContact CG-CZ3 4.36Å
969	T	86.4	Confident	78.1	Confident	9 Å²	9	35 Å²	35	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.4	176.4	-63.4	0	0	0	0	109.8	A635 K636 R958 T959 P971	A635-T969 CarbonylContact C-O 3.56Å; A635-T969 VanDerWaalsContact CA-O 3.24Å; A635-T969 WeakPolarHBondContact CA-O 3.46Å; A635-T969 WeakPolarHBondContact CB-O 3.46Å; K636-T969 PolarHBondContact N-O 3.1Å; K636-T969 PolarHBondContact O-N 3.04Å; R958-T969 CarbonylContact O-C 3.56Å; R958-T969 VanDerWaalsContact O-CA 3.3Å; R958-T969 WeakPolarHBondContact O-CA 3.31Å; T959-T969 WeakPolarHBondContact CB-OG1 3.31Å; T959-T969 WeakPolarHBondContact CG2-OG1 3.37Å; T959-T969 WeakPolarHBondContact OG1-CG2 3.27Å; T959-T969 PolarHBondContact OG1-OG1 3.07Å; T969-P971 WeakPolarHBondContact O-CD 3.35Å
970	I	86.4	Confident	76.5	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.4	170.4	-54.2	176.9	0	0	0	106.7	A635 V942 L951 S957 R958	A635-I970 HydrophobicContact CB-CG1 4.27Å; V942-I970 HydrophobicContact CG2-CD1 4.23Å; V942-I970 HydrophobicContact CG2-CG1 4.4Å; L951-I970 VanDerWaalsContact CD1-O 3.3Å; L951-I970 WeakPolarHBondContact CD1-O 3.42Å; S957-I970 WeakPolarHBondContact CA-O 3.43Å; R958-I970 PolarHBondContact N-O 3.01Å; R958-I970 PolarHBondContact O-N 3.31Å
971	P	79.5	Confident	74.9	Confident	25 Å²	25	42 Å²	42	16%	0.162	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	158.7	175.7	36.9	-35.4	0	0	0	111.7	T969 N973 E976	T969-P971 WeakPolarHBondContact O-CD 3.35Å; P971-N973 VanDerWaalsContact C-N 3.28Å; P971-N973 WeakPolarHBondContact CB-O 3.4Å; P971-E976 HydrophobicContact CB-CB 4.16Å; P971-E976 WeakPolarHBondContact CB-OE2 3.13Å
972	I	76.2	Confident	73.5	Confident	82 Å²	82	42.4 Å²	42.4	42%	0.421	22%	0.218	S	C	.	.	S	Bend	trans	-73.6	-24.4	169.7	-161.3	171.2	0	0	0	111.6	L951 I956	L951-I972 HydrophobicContact CB-CB 4.13Å; L951-I972 HydrophobicContact CB-CD1 4.24Å; L951-I972 HydrophobicContact CB-CG1 4.09Å; L951-I972 VanDerWaalsContact O-CD1 3.25Å; L951-I972 WeakPolarHBondContact O-CD1 3.45Å; I956-I972 HydrophobicContact CB-CG2 4.49Å; I956-I972 HydrophobicContact CG2-CG2 3.67Å; I956-I972 WeakPolarHBondContact O-CB 3.35Å; I956-I972 VanDerWaalsContact O-CG2 3.25Å; I956-I972 WeakPolarHBondContact O-CG2 3.47Å; I956-I972 PolarHBondContact O-N 3.01Å
973	N	70.3	Confident	72.3	Confident	89 Å²	89	47.7 Å²	47.7	48%	0.476	24%	0.241	S	C	.	.	S	Bend	trans	-138.7	129.5	179.1	-177.7	-15.5	0	0	0	109.8	P971 N975 E976	P971-N973 VanDerWaalsContact C-N 3.28Å; P971-N973 WeakPolarHBondContact CB-O 3.4Å; N973-N975 PolarHBondContact O-N 3.31Å; N973-N975 PolarHBondContact OD1-N 2.96Å; N973-E976 VanDerWaalsContact O-CB 3.31Å; N973-E976 WeakPolarHBondContact O-CB 3.26Å; N973-E976 PolarHBondContact O-N 3.4Å; N973-E976 VanDerWaalsContact O-N 3.08Å
974	T	60.9	Low	71.2	Confident	76 Å²	76	52.2 Å²	52.2	47%	0.466	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.1	179.4	47.6	0	0	0	0	113.6	K636 E976	K636-T974 WeakPolarHBondContact CE-O 3.43Å; K636-T974 PolarHBondContact NZ-O 3.33Å; T974-E976 VanDerWaalsContact C-N 3.34Å; T974-E976 PolarHBondContact O-N 2.78Å
975	N	56.5	Low	70.3	Confident	106 Å²	106	52.7 Å²	52.7	57%	0.567	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.8	-177.6	-61.7	-0.9	0	0	0	113.9	N973 Q977	N973-N975 PolarHBondContact O-N 3.31Å; N973-N975 PolarHBondContact OD1-N 2.96Å; N975-Q977 PolarHBondContact O-N 3.14Å
976	E	61.6	Low	69.2	Low	34 Å²	34	54 Å²	54	16%	0.159	27%	0.269	C	S	.	.			trans	-59.2	127.9	178.2	-171.1	-177.1	166.9	0	0	111.4	K636 I956 S957 P971 N973 T974	K636-E976 PolarHBondContact NZ-O 2.73Å; I956-E976 VanDerWaalsContact CG2-CD 3.41Å; I956-E976 HydrophobicContact CG2-CG 4.17Å; I956-E976 WeakPolarHBondContact CG2-OE1 3.31Å; I956-E976 WeakPolarHBondContact CG2-OE2 3.43Å; S957-E976 WeakPolarHBondContact CB-OE1 3.42Å; S957-E976 PolarHBondContact OG-OE1 2.93Å; P971-E976 HydrophobicContact CB-CB 4.16Å; P971-E976 WeakPolarHBondContact CB-OE2 3.13Å; N973-E976 VanDerWaalsContact O-CB 3.31Å; N973-E976 WeakPolarHBondContact O-CB 3.26Å; N973-E976 PolarHBondContact O-N 3.4Å; N973-E976 VanDerWaalsContact O-N 3.08Å; T974-E976 VanDerWaalsContact C-N 3.34Å; T974-E976 PolarHBondContact O-N 2.78Å
977	Q	57.1	Low	68.1	Low	148 Å²	148	58.2 Å²	58.2	69%	0.692	29%	0.292	S	S	*	.			trans	-68.8	143.7	179.7	-71	-170.6	-4.3	0	0	111.5	N975	N975-Q977 PolarHBondContact O-N 3.14Å
978	F	57.7	Low	67.7	Low	53 Å²	53	58.4 Å²	58.4	23%	0.232	29%	0.293	C	S	.	.			trans	-104.5	128.5	-177.1	-176.2	-80.3	0	0	0	110.8	K636 I638 N980 L982 K983	K636-F978 HydrophobicContact CB-CD2 4.27Å; I638-F978 HydrophobicContact CD1-CE1 3.76Å; I638-F978 HydrophobicContact CD1-CZ 3.56Å; I638-F978 HydrophobicContact CG1-CE1 4.37Å; I638-F978 HydrophobicContact CG1-CZ 4.18Å; F978-N980 PolarHBondContact O-N 3.47Å; F978-L982 HydrophobicContact CE1-CB 4.13Å; F978-L982 HydrophobicContact CE1-CD1 4.35Å; F978-L982 HydrophobicContact CE2-CD1 4.36Å; F978-L982 HydrophobicContact CZ-CB 4.11Å; F978-L982 HydrophobicContact CZ-CD1 3.94Å; F978-K983 HydrophobicContact CE1-CG 4.48Å
979	Y	61.2	Low	67.5	Low	58 Å²	58	59.9 Å²	59.9	23%	0.227	30%	0.302	C	S	.	.			trans	-69.6	114.9	-177.3	-66.9	-78.9	0	0	0	112.4	E981 L982 P1137	Y979-E981 PolarHBondContact O-N 2.89Å; Y979-L982 PolarHBondContact O-N 2.76Å; Y979-L982 VanDerWaalsContact O-N 3.14Å; Y979-P1137 WeakPolarHBondContact OH-CG 3.34Å
980	N	57.4	Low	67.5	Low	92 Å²	92	59.8 Å²	59.8	49%	0.492	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-57.4	-28.3	175.1	-82	-29.1	0	0	0	112.8	F978 L982 K983 H984	F978-N980 PolarHBondContact O-N 3.47Å; N980-L982 PolarHBondContact O-N 3.11Å; N980-K983 WeakPolarHBondContact O-CB 3.41Å; N980-K983 PolarHBondContact O-N 2.9Å; N980-K983 WeakPolarHBondContact OD1-CE 3.44Å; N980-K983 PolarHBondContact OD1-NZ 2.85Å; N980-H984 PolarHBondContact O-CE1 2.95Å
981	E	57.1	Low	67.5	Low	58 Å²	58	59.3 Å²	59.3	27%	0.271	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-55.8	-32.3	177	-72	107.2	-143.2	0	0	112.9	Y979 K983 H984 W1003 R1005	Y979-E981 PolarHBondContact O-N 2.89Å; E981-K983 PolarHBondContact O-N 3.48Å; E981-H984 PolarHBondContact O-ND1 2.9Å; E981-W1003 HydrophobicContact CB-CZ2 4.34Å; E981-W1003 WeakPolarHBondContact OE2-CH2 3.43Å; E981-R1005 IonicContact OE1-CZ 2.68Å; E981-R1005 IonicContact OE1-NE 2.8Å; E981-R1005 PolarHBondContact OE1-NE 3.14Å; E981-R1005 IonicContact OE1-NH2 3.54Å; E981-R1005 PolarHBondContact OE1-NH2 2.91Å; E981-R1005 IonicContact OE2-NE 3.49Å; E981-R1005 PolarHBondContact OE2-NE 2.93Å
982	L	62	Low	68	Low	11 Å²	11	60 Å²	60	6%	0.058	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-69.2	-13.8	179.2	-59.9	175	0	0	0	114.3	I967 F978 Y979 N980 H984 F991 F1141	I967-L982 WeakPolarHBondContact CD1-O 3.18Å; F978-L982 HydrophobicContact CE1-CB 4.13Å; F978-L982 HydrophobicContact CE1-CD1 4.35Å; F978-L982 HydrophobicContact CE2-CD1 4.36Å; F978-L982 HydrophobicContact CZ-CB 4.11Å; F978-L982 HydrophobicContact CZ-CD1 3.94Å; Y979-L982 PolarHBondContact O-N 2.76Å; Y979-L982 VanDerWaalsContact O-N 3.14Å; N980-L982 PolarHBondContact O-N 3.11Å; L982-H984 VanDerWaalsContact C-N 3.29Å; L982-H984 PolarHBondContact O-N 3.09Å; L982-F991 HydrophobicContact CD2-CE1 4.45Å; L982-F991 HydrophobicContact CD2-CZ 3.82Å; L982-F1141 HydrophobicContact CD2-CE1 4.46Å; L982-F1141 HydrophobicContact CD2-CZ 4.04Å
983	K	64.5	Low	68.7	Low	110 Å²	110	56.1 Å²	56.1	48%	0.478	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-72.5	-17.1	-176.2	-68	175.7	171.6	172.2	0	114.3	I638 F978 N980 E981 W985	I638-K983 HydrophobicContact CD1-CB 4.46Å; I638-K983 HydrophobicContact CD1-CG 3.88Å; I638-K983 HydrophobicContact CG1-CG 4.37Å; F978-K983 HydrophobicContact CE1-CG 4.48Å; N980-K983 WeakPolarHBondContact O-CB 3.41Å; N980-K983 PolarHBondContact O-N 2.9Å; N980-K983 WeakPolarHBondContact OD1-CE 3.44Å; N980-K983 PolarHBondContact OD1-NZ 2.85Å; E981-K983 PolarHBondContact O-N 3.48Å; K983-W985 VanDerWaalsContact C-N 3.26Å; K983-W985 PolarHBondContact O-N 3.25Å
984	H	65.1	Low	69.7	Low	115 Å²	115	51.9 Å²	51.9	53%	0.532	26%	0.257	S	S	.	.	S	Bend	trans	-84.8	45.3	-168.8	-54.1	91.3	0	0	0	113.8	N980 E981 L982 P986 D987 S988	N980-H984 PolarHBondContact O-CE1 2.95Å; E981-H984 PolarHBondContact O-ND1 2.9Å; L982-H984 VanDerWaalsContact C-N 3.29Å; L982-H984 PolarHBondContact O-N 3.09Å; H984-P986 CarbonylContact O-C 3.55Å; H984-D987 CarbonylContact O-C 3.55Å; H984-D987 PolarHBondContact O-N 2.88Å; H984-D987 VanDerWaalsContact O-N 3.08Å; H984-S988 WeakPolarHBondContact O-CB 3.24Å; H984-S988 PolarHBondContact O-N 3.2Å
985	W	65.4	Low	71	Confident	23 Å²	23	48.3 Å²	48.3	9%	0.087	24%	0.236	C	C	.	.			trans	-77.8	141.1	176.1	-165.6	-82.3	0	0	0	111.8	P498 A961 L962 N963 G965 I967 K983 F991 Y995	P498-W985 HydrophobicContact CB-CZ2 4.23Å; P498-W985 HydrophobicContact CG-CZ2 4.08Å; A961-W985 HydrophobicContact CB-CE3 4.01Å; A961-W985 HydrophobicContact CB-CH2 4.23Å; A961-W985 HydrophobicContact CB-CZ3 3.53Å; L962-W985 WeakPolarHBondContact O-CZ2 3.1Å; N963-W985 PolarHBondContact O-NE1 2.69Å; G965-W985 VanDerWaalsContact CA-CG 3.46Å; I967-W985 HydrophobicContact CD1-CE3 4.18Å; K983-W985 VanDerWaalsContact C-N 3.26Å; K983-W985 PolarHBondContact O-N 3.25Å; W985-F991 HydrophobicContact CD2-CD2 4.41Å; W985-F991 HydrophobicContact CE3-CB 4.39Å; W985-F991 AromaticContact CE3-CD2 3.2Å; W985-F991 HydrophobicContact CE3-CD2 3.2Å; W985-F991 AromaticContact CE3-CE2 3.51Å; W985-F991 HydrophobicContact CE3-CE2 3.51Å; W985-F991 AromaticContact CE3-CG 3.89Å; W985-F991 HydrophobicContact CE3-CG 3.89Å; W985-F991 HydrophobicContact CE3-CZ 4.37Å; W985-F991 HydrophobicContact CH2-CB 4.28Å; W985-F991 HydrophobicContact CH2-CD2 4.43Å; W985-F991 HydrophobicContact CH2-CG 4.33Å; W985-F991 HydrophobicContact CZ3-CB 3.76Å; W985-F991 AromaticContact CZ3-CD1 3.98Å; W985-F991 HydrophobicContact CZ3-CD1 3.98Å; W985-F991 AromaticContact CZ3-CD2 3.22Å; W985-F991 HydrophobicContact CZ3-CD2 3.22Å; W985-F991 HydrophobicContact CZ3-CE1 4.37Å; W985-F991 AromaticContact CZ3-CE2 3.72Å; W985-F991 HydrophobicContact CZ3-CE2 3.72Å; W985-F991 AromaticContact CZ3-CG 3.39Å; W985-F991 HydrophobicContact CZ3-CG 3.39Å; W985-F991 HydrophobicContact CZ3-CZ 4.26Å; W985-Y995 AromaticContact CH2-CE2 3.63Å; W985-Y995 HydrophobicContact CH2-CE2 3.63Å; W985-Y995 AromaticContact CH2-CZ 3.76Å; W985-Y995 WeakPolarHBondContact CH2-OH 3.5Å; W985-Y995 AromaticContact CZ2-CE2 3.99Å; W985-Y995 HydrophobicContact CZ2-CE2 3.99Å; W985-Y995 VanDerWaalsContact CZ2-OH 3.27Å; W985-Y995 WeakPolarHBondContact CZ2-OH 3.39Å
986	P	60.4	Low	72.6	Confident	32 Å²	32	43.3 Å²	43.3	21%	0.208	21%	0.209	C	C	.	.	S	Bend	cis	-83.5	-12.2	-3.5	34	-36.1	0	0	0	114.5	P498 H984 S988	P498-P986 HydrophobicContact CB-CB 4.23Å; H984-P986 CarbonylContact O-C 3.55Å; P986-S988 PolarHBondContact O-N 3.21Å
987	D	65.7	Low	73.9	Confident	90 Å²	90	41.7 Å²	41.7	48%	0.481	20%	0.201	S	C	.	.	S	Bend	trans	-74.3	19.3	-164.4	-37.1	-77.3	0	0	0	114.6	S567 K642 H984	S567-D987 PolarHBondContact OG-O 2.69Å; S567-D987 VanDerWaalsContact OG-O 3.13Å; K642-D987 IonicContact NZ-OD1 3.45Å; K642-D987 IonicContact NZ-OD2 2.73Å; K642-D987 PolarHBondContact NZ-OD2 3.48Å; H984-D987 CarbonylContact O-C 3.55Å; H984-D987 PolarHBondContact O-N 2.88Å; H984-D987 VanDerWaalsContact O-N 3.08Å
988	S	81.2	Confident	75.3	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.021	19%	0.19	C	C	.	.			trans	-81.6	122.2	-170.2	-178.5	0	0	0	0	112.1	H984 P986 I990 F991 Q992	H984-S988 WeakPolarHBondContact O-CB 3.24Å; H984-S988 PolarHBondContact O-N 3.2Å; P986-S988 PolarHBondContact O-N 3.21Å; S988-I990 VanDerWaalsContact C-N 3.3Å; S988-I990 PolarHBondContact O-N 3.08Å; S988-I990 WeakPolarHBondContact OG-CG2 3.5Å; S988-F991 VanDerWaalsContact CB-CD2 3.42Å; S988-F991 PolarHBondContact O-N 3.04Å; S988-F991 WeakPolarHBondContact OG-CD2 3.37Å; S988-Q992 PolarHBondContact O-N 2.84Å; S988-Q992 VanDerWaalsContact O-N 3.08Å
989	P	84.6	Confident	76.6	Confident	31 Å²	31	38.4 Å²	38.4	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-50.8	-43.9	179.5	-29.1	32.6	0	0	0	114.8	V566 S567 D568 R993	V566-P989 HydrophobicContact CG1-CB 3.68Å; V566-P989 HydrophobicContact CG1-CG 4.49Å; S567-P989 WeakPolarHBondContact OG-CG 3.45Å; D568-P989 HydrophobicContact CB-CB 3.78Å; D568-P989 HydrophobicContact CB-CG 3.64Å; D568-P989 WeakPolarHBondContact OD2-CB 3.5Å; P989-R993 WeakPolarHBondContact O-CG 3.3Å; P989-R993 PolarHBondContact O-N 3.24Å
990	I	86.9	Confident	78.1	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-70.7	-40	-176.1	-177.6	55.2	0	0	0	111.5	S988 R993 V994 I1001 W1003 F1141	S988-I990 VanDerWaalsContact C-N 3.3Å; S988-I990 PolarHBondContact O-N 3.08Å; S988-I990 WeakPolarHBondContact OG-CG2 3.5Å; I990-R993 PolarHBondContact O-N 3.23Å; I990-V994 HydrophobicContact CD1-CG2 4.18Å; I990-V994 HydrophobicContact CG1-CG2 4.49Å; I990-V994 WeakPolarHBondContact O-CG2 3.38Å; I990-V994 PolarHBondContact O-N 3.46Å; I990-I1001 HydrophobicContact CD1-CB 4.39Å; I990-I1001 HydrophobicContact CD1-CG2 3.57Å; I990-W1003 HydrophobicContact CD1-CB 3.7Å; I990-W1003 HydrophobicContact CD1-CG 3.86Å; I990-W1003 HydrophobicContact CG1-CB 4.28Å; I990-W1003 HydrophobicContact CG1-CG 4.08Å; I990-F1141 HydrophobicContact CD1-CD2 3.88Å; I990-F1141 HydrophobicContact CD1-CE2 4.18Å; I990-F1141 HydrophobicContact CG1-CD2 3.68Å; I990-F1141 HydrophobicContact CG1-CE2 3.62Å; I990-F1141 HydrophobicContact CG1-CG 4.42Å; I990-F1141 HydrophobicContact CG1-CZ 4.3Å
991	F	87.3	Confident	79.7	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-70.5	-36.2	178.3	-59.5	-45.7	0	0	0	111.5	A961 I967 L982 W985 S988 V994 Y995 F1141 V1157	A961-F991 HydrophobicContact CB-CE1 4.2Å; A961-F991 HydrophobicContact CB-CE2 4.49Å; A961-F991 HydrophobicContact CB-CZ 4.03Å; I967-F991 HydrophobicContact CD1-CE2 4.05Å; I967-F991 HydrophobicContact CD1-CZ 4.29Å; L982-F991 HydrophobicContact CD2-CE1 4.45Å; L982-F991 HydrophobicContact CD2-CZ 3.82Å; W985-F991 HydrophobicContact CD2-CD2 4.41Å; W985-F991 HydrophobicContact CE3-CB 4.39Å; W985-F991 AromaticContact CE3-CD2 3.2Å; W985-F991 HydrophobicContact CE3-CD2 3.2Å; W985-F991 AromaticContact CE3-CE2 3.51Å; W985-F991 HydrophobicContact CE3-CE2 3.51Å; W985-F991 AromaticContact CE3-CG 3.89Å; W985-F991 HydrophobicContact CE3-CG 3.89Å; W985-F991 HydrophobicContact CE3-CZ 4.37Å; W985-F991 HydrophobicContact CH2-CB 4.28Å; W985-F991 HydrophobicContact CH2-CD2 4.43Å; W985-F991 HydrophobicContact CH2-CG 4.33Å; W985-F991 HydrophobicContact CZ3-CB 3.76Å; W985-F991 AromaticContact CZ3-CD1 3.98Å; W985-F991 HydrophobicContact CZ3-CD1 3.98Å; W985-F991 AromaticContact CZ3-CD2 3.22Å; W985-F991 HydrophobicContact CZ3-CD2 3.22Å; W985-F991 HydrophobicContact CZ3-CE1 4.37Å; W985-F991 AromaticContact CZ3-CE2 3.72Å; W985-F991 HydrophobicContact CZ3-CE2 3.72Å; W985-F991 AromaticContact CZ3-CG 3.39Å; W985-F991 HydrophobicContact CZ3-CG 3.39Å; W985-F991 HydrophobicContact CZ3-CZ 4.26Å; S988-F991 VanDerWaalsContact CB-CD2 3.42Å; S988-F991 PolarHBondContact O-N 3.04Å; S988-F991 WeakPolarHBondContact OG-CD2 3.37Å; F991-V994 PolarHBondContact O-N 3.35Å; F991-Y995 WeakPolarHBondContact O-CB 3.16Å; F991-Y995 WeakPolarHBondContact O-CD2 3.48Å; F991-Y995 PolarHBondContact O-N 3.38Å; F991-F1141 HydrophobicContact CE1-CD1 4.45Å; F991-F1141 HydrophobicContact CE1-CE1 4.11Å; F991-V1157 HydrophobicContact CD1-CB 4.04Å; F991-V1157 HydrophobicContact CD1-CG1 3.91Å; F991-V1157 HydrophobicContact CD1-CG2 4.08Å; F991-V1157 HydrophobicContact CE1-CB 4.34Å; F991-V1157 HydrophobicContact CE1-CG1 4.06Å
992	Q	88.2	Confident	81.5	Confident	38 Å²	38	28.7 Å²	28.7	18%	0.178	14%	0.14	C	C	.	.	H	α-helix	trans	-57.4	-51.7	169.4	-172.1	-174.4	9.1	0	0	111.8	T499 S988 V994 Y995 D996	T499-Q992 HydrophobicContact CG2-CB 4.27Å; T499-Q992 HydrophobicContact CG2-CG 4Å; S988-Q992 PolarHBondContact O-N 2.84Å; S988-Q992 VanDerWaalsContact O-N 3.08Å; Q992-V994 VanDerWaalsContact C-N 3.32Å; Q992-V994 PolarHBondContact O-N 3.35Å; Q992-Y995 PolarHBondContact O-N 3.41Å; Q992-D996 PolarHBondContact O-N 3.43Å; Q992-D996 VanDerWaalsContact O-N 3.09Å
993	R	91.5	Very high	82.9	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-56	-43.3	176	-77.2	175.3	72.1	-161.1	1.9	112.2	H571 Y573 P989 I990 S997 E1190 D1191 N1371	H571-R993 VanDerWaalsContact CD2-CZ 3.4Å; H571-R993 PolarHBondContact CD2-NH1 3.43Å; H571-R993 PolarHBondContact CE1-NH1 3.12Å; H571-R993 PolarHBondContact NE2-NH1 2.88Å; Y573-R993 HydrophobicContact CE1-CG 3.88Å; P989-R993 WeakPolarHBondContact O-CG 3.3Å; P989-R993 PolarHBondContact O-N 3.24Å; I990-R993 PolarHBondContact O-N 3.23Å; R993-S997 WeakPolarHBondContact O-CB 3.5Å; R993-S997 PolarHBondContact O-N 2.82Å; R993-S997 VanDerWaalsContact O-N 3.15Å; R993-E1190 IonicContact CZ-OE2 2.67Å; R993-E1190 VanDerWaalsContact CZ-OE2 3.25Å; R993-E1190 IonicContact NH1-OE2 3.18Å; R993-E1190 PolarHBondContact NH1-OE2 2.87Å; R993-E1190 IonicContact NH2-OE2 2.72Å; R993-E1190 PolarHBondContact NH2-OE2 2.85Å; R993-D1191 IonicContact CZ-OD1 2.75Å; R993-D1191 IonicContact CZ-OD2 2.7Å; R993-D1191 IonicContact NE-OD2 2.74Å; R993-D1191 IonicContact NH2-OD1 3.23Å; R993-D1191 PolarHBondContact NH2-OD1 2.68Å; R993-D1191 IonicContact NH2-OD2 3.2Å; R993-D1191 PolarHBondContact NH2-OD2 2.71Å; R993-N1371 PolarHBondContact NH2-ND2 3.46Å
994	V	91.7	Very high	84	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.4	-44.7	-178.6	175.6	0	0	0	0	111.7	I990 F991 Q992 D996 S997 I1001 F1141 V1157	I990-V994 HydrophobicContact CD1-CG2 4.18Å; I990-V994 HydrophobicContact CG1-CG2 4.49Å; I990-V994 WeakPolarHBondContact O-CG2 3.38Å; I990-V994 PolarHBondContact O-N 3.46Å; F991-V994 PolarHBondContact O-N 3.35Å; Q992-V994 VanDerWaalsContact C-N 3.32Å; Q992-V994 PolarHBondContact O-N 3.35Å; V994-D996 VanDerWaalsContact C-N 3.34Å; V994-D996 PolarHBondContact O-N 3.26Å; V994-S997 PolarHBondContact O-N 2.99Å; V994-S997 PolarHBondContact O-OG 3.35Å; V994-I1001 HydrophobicContact CB-CG1 4.39Å; V994-I1001 HydrophobicContact CG2-CB 3.86Å; V994-I1001 HydrophobicContact CG2-CG1 3.7Å; V994-F1141 HydrophobicContact CB-CB 4.5Å; V994-F1141 HydrophobicContact CG1-CB 4.3Å; V994-F1141 HydrophobicContact CG2-CB 3.38Å; V994-F1141 HydrophobicContact CG2-CG 4.17Å; V994-V1157 HydrophobicContact CB-CG1 4.41Å; V994-V1157 HydrophobicContact CB-CG2 4.15Å; V994-V1157 HydrophobicContact CG1-CB 4.42Å; V994-V1157 HydrophobicContact CG1-CG1 3.87Å; V994-V1157 HydrophobicContact CG1-CG2 3.77Å
995	Y	89.2	Confident	84.9	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-37.5	178.8	-79	-52.2	0	0	0	113.1	Y497 P498 T499 N963 W985 F991 Q992 S997 K1154 V1157	Y497-Y995 HydrophobicContact CE1-CG 4.34Å; Y497-Y995 HydrophobicContact CE2-CE1 4.48Å; Y497-Y995 AromaticContact CZ-CD1 3.82Å; Y497-Y995 WeakPolarHBondContact OH-CD1 3.31Å; Y497-Y995 WeakPolarHBondContact OH-CE1 3.06Å; Y497-Y995 VanDerWaalsContact OH-CG 3.29Å; P498-Y995 HydrophobicContact CB-CE2 3.92Å; P498-Y995 HydrophobicContact CG-CE2 4.13Å; T499-Y995 HydrophobicContact CG2-CD2 3.93Å; T499-Y995 HydrophobicContact CG2-CG 4.46Å; N963-Y995 PolarHBondContact OD1-OH 2.58Å; W985-Y995 AromaticContact CH2-CE2 3.63Å; W985-Y995 HydrophobicContact CH2-CE2 3.63Å; W985-Y995 AromaticContact CH2-CZ 3.76Å; W985-Y995 WeakPolarHBondContact CH2-OH 3.5Å; W985-Y995 AromaticContact CZ2-CE2 3.99Å; W985-Y995 HydrophobicContact CZ2-CE2 3.99Å; W985-Y995 VanDerWaalsContact CZ2-OH 3.27Å; W985-Y995 WeakPolarHBondContact CZ2-OH 3.39Å; F991-Y995 WeakPolarHBondContact O-CB 3.16Å; F991-Y995 WeakPolarHBondContact O-CD2 3.48Å; F991-Y995 PolarHBondContact O-N 3.38Å; Q992-Y995 PolarHBondContact O-N 3.41Å; Y995-S997 VanDerWaalsContact C-N 3.33Å; Y995-K1154 HydrophobicContact CD1-CB 4.22Å; Y995-K1154 HydrophobicContact CD1-CD 4.4Å; Y995-K1154 HydrophobicContact CE1-CB 4.24Å; Y995-K1154 PolarHBondContact O-NZ 3.06Å; Y995-V1157 HydrophobicContact CD1-CG2 4.3Å; Y995-V1157 HydrophobicContact CE1-CG2 4.13Å; Y995-V1157 HydrophobicContact CE2-CG2 4.4Å
996	D	89.3	Confident	85.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-76.9	-20.3	178.1	-80.3	6	0	0	0	112.9	Y573 K575 R577 Q992 V994 Y1333	Y573-D996 HydrophobicContact CE2-CB 3.76Å; Y573-D996 WeakPolarHBondContact CE2-OD2 3.3Å; Y573-D996 PolarHBondContact OH-OD2 3.31Å; K575-D996 HydrophobicContact CD-CB 4.06Å; K575-D996 HydrophobicContact CG-CB 4.44Å; K575-D996 PolarHBondContact NZ-O 3.28Å; R577-D996 IonicContact CZ-OD1 2.7Å; R577-D996 IonicContact CZ-OD2 3.63Å; R577-D996 IonicContact NE-OD2 2.95Å; R577-D996 VanDerWaalsContact NH2-CG 3.27Å; R577-D996 IonicContact NH2-OD1 3.34Å; R577-D996 PolarHBondContact NH2-OD1 3.44Å; R577-D996 IonicContact NH2-OD2 3.79Å; R577-D996 PolarHBondContact NH2-OD2 2.74Å; Q992-D996 PolarHBondContact O-N 3.43Å; Q992-D996 VanDerWaalsContact O-N 3.09Å; V994-D996 VanDerWaalsContact C-N 3.34Å; V994-D996 PolarHBondContact O-N 3.26Å; D996-Y1333 HydrophobicContact CB-CD1 4.08Å; D996-Y1333 HydrophobicContact CB-CE1 4.19Å
997	S	89.5	Confident	86.6	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.007	12%	0.122	C	C	.	.			trans	-78.6	159.5	179.3	82.7	0	0	0	0	114.1	R993 V994 Y995	R993-S997 WeakPolarHBondContact O-CB 3.5Å; R993-S997 PolarHBondContact O-N 2.82Å; R993-S997 VanDerWaalsContact O-N 3.15Å; V994-S997 PolarHBondContact O-N 2.99Å; V994-S997 PolarHBondContact O-OG 3.35Å; Y995-S997 VanDerWaalsContact C-N 3.33Å
998	F	84.9	Confident	86.4	Confident	104 Å²	104	28.3 Å²	28.3	46%	0.456	13%	0.128	S	C	.	.	S	Bend	trans	-101.5	-2.8	175.7	-73.5	-76.6	0	0	0	115.4	L1332 Y1333	F998-L1332 PolarHBondContact N-O 2.86Å; F998-Y1333 WeakPolarHBondContact CE2-O 3.27Å
999	N	87	Confident	85	Confident	27 Å²	27	31.6 Å²	31.6	14%	0.144	15%	0.146	C	C	.	.	S	Bend	trans	-144.1	-100.6	-175.6	-70.2	-89.5	0	0	0	114.3	K32 K36 T1142 L1332 G1369	K32-N999 VanDerWaalsContact CE-OD1 3.23Å; K32-N999 WeakPolarHBondContact CE-OD1 3.47Å; K36-N999 WeakPolarHBondContact CE-OD1 3.48Å; K36-N999 PolarHBondContact NZ-OD1 3.18Å; N999-T1142 PolarHBondContact O-OG1 3.12Å; N999-L1332 HydrophobicContact CB-CD1 4.42Å; N999-G1369 WeakPolarHBondContact CB-O 3.45Å
1000	L	91.2	Very high	82.5	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	17%	0.174	C	C	.	.			trans	-129.8	132.3	-171.5	-58.7	-179.1	0	0	0	109.6	F35 F39 F1002 I1140 F1141 T1370	F35-L1000 HydrophobicContact CB-CD1 3.67Å; F39-L1000 HydrophobicContact CD2-CD2 3.99Å; F39-L1000 HydrophobicContact CE2-CD2 3.69Å; L1000-F1002 HydrophobicContact CB-CE2 4.25Å; L1000-F1002 HydrophobicContact CD1-CE2 4.46Å; L1000-I1140 HydrophobicContact CB-CG2 4.17Å; L1000-I1140 HydrophobicContact CD1-CG2 4.48Å; L1000-I1140 HydrophobicContact CD2-CG2 4.37Å; L1000-F1141 WeakPolarHBondContact CA-O 3.37Å; L1000-T1370 WeakPolarHBondContact O-CA 3.42Å
1001	I	92.3	Very high	79.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.7	167.7	-56.7	-58.9	0	0	0	107.8	I990 V994 I1140 F1141 L1332 N1371	I990-I1001 HydrophobicContact CD1-CB 4.39Å; I990-I1001 HydrophobicContact CD1-CG2 3.57Å; V994-I1001 HydrophobicContact CB-CG1 4.39Å; V994-I1001 HydrophobicContact CG2-CB 3.86Å; V994-I1001 HydrophobicContact CG2-CG1 3.7Å; I1001-I1140 CarbonylContact O-C 3.57Å; I1001-I1140 WeakPolarHBondContact O-CA 3.46Å; I1001-F1141 PolarHBondContact N-O 2.97Å; I1001-F1141 PolarHBondContact O-N 3.46Å; I1001-L1332 HydrophobicContact CD1-CD2 3.79Å; I1001-L1332 HydrophobicContact CD1-CG 4.47Å; I1001-N1371 HydrophobicContact CD1-CB 4.32Å
1002	F	93.2	Very high	77.3	Confident	3 Å²	3	48.7 Å²	48.7	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.7	166.7	-72.2	-114.3	0	0	0	107.4	F35 L1000 V1138 I1140 L1167 T1370 N1371 L1372	F35-F1002 HydrophobicContact CD2-CE1 4.37Å; F35-F1002 AromaticContact CD2-CZ 3.66Å; F35-F1002 HydrophobicContact CD2-CZ 3.66Å; F35-F1002 AromaticContact CE2-CE1 3.97Å; F35-F1002 HydrophobicContact CE2-CE1 3.97Å; F35-F1002 AromaticContact CE2-CZ 3.68Å; F35-F1002 HydrophobicContact CE2-CZ 3.68Å; F35-F1002 HydrophobicContact CG-CZ 4.32Å; F35-F1002 HydrophobicContact CZ-CE1 4.26Å; F35-F1002 HydrophobicContact CZ-CZ 4.35Å; L1000-F1002 HydrophobicContact CB-CE2 4.25Å; L1000-F1002 HydrophobicContact CD1-CE2 4.46Å; F1002-V1138 HydrophobicContact CB-CG1 4.33Å; F1002-V1138 HydrophobicContact CD1-CG1 4.15Å; F1002-I1140 HydrophobicContact CD1-CD1 3.96Å; F1002-I1140 HydrophobicContact CD1-CG1 3.7Å; F1002-I1140 HydrophobicContact CD2-CG2 4.25Å; F1002-I1140 HydrophobicContact CE1-CD1 3.33Å; F1002-I1140 HydrophobicContact CE1-CG1 3.63Å; F1002-I1140 HydrophobicContact CE2-CD1 4.33Å; F1002-I1140 HydrophobicContact CE2-CG1 4.46Å; F1002-I1140 HydrophobicContact CE2-CG2 4.07Å; F1002-I1140 HydrophobicContact CG-CG1 4.18Å; F1002-I1140 HydrophobicContact CZ-CD1 3.54Å; F1002-I1140 HydrophobicContact CZ-CG1 4.02Å; F1002-I1140 HydrophobicContact CZ-CG2 4.31Å; F1002-L1167 HydrophobicContact CD1-CD1 4.12Å; F1002-L1167 HydrophobicContact CE1-CD1 4.29Å; F1002-L1167 HydrophobicContact CE1-CD2 4.44Å; F1002-T1370 HydrophobicContact CD2-CG2 4.26Å; F1002-T1370 HydrophobicContact CE2-CG2 3.59Å; F1002-T1370 HydrophobicContact CZ-CG2 4.44Å; F1002-N1371 PolarHBondContact N-OD1 3.46Å; F1002-N1371 PolarHBondContact O-ND2 2.87Å; F1002-L1372 HydrophobicContact CB-CD1 4.19Å; F1002-L1372 HydrophobicContact CB-CD2 3.9Å; F1002-L1372 HydrophobicContact CB-CG 4.07Å; F1002-L1372 HydrophobicContact CD1-CD1 3.69Å; F1002-L1372 HydrophobicContact CD1-CG 4.47Å; F1002-L1372 HydrophobicContact CD2-CD1 3.9Å; F1002-L1372 HydrophobicContact CD2-CG 4.05Å; F1002-L1372 HydrophobicContact CE1-CD1 3.96Å; F1002-L1372 HydrophobicContact CE2-CD1 4.2Å; F1002-L1372 HydrophobicContact CG-CD1 3.66Å; F1002-L1372 HydrophobicContact CG-CD2 4.3Å; F1002-L1372 HydrophobicContact CG-CG 3.96Å; F1002-L1372 HydrophobicContact CZ-CD1 4.21Å
1003	W	91.3	Very high	74.4	Confident	30 Å²	30	52.5 Å²	52.5	11%	0.114	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.6	-176.9	172	85.2	0	0	0	110.1	E981 I990 R1005 V1138 T1139 F1141	E981-W1003 HydrophobicContact CB-CZ2 4.34Å; E981-W1003 WeakPolarHBondContact OE2-CH2 3.43Å; I990-W1003 HydrophobicContact CD1-CB 3.7Å; I990-W1003 HydrophobicContact CD1-CG 3.86Å; I990-W1003 HydrophobicContact CG1-CB 4.28Å; I990-W1003 HydrophobicContact CG1-CG 4.08Å; W1003-R1005 HydrophobicContact CH2-CB 4.4Å; W1003-V1138 WeakPolarHBondContact O-CA 3.31Å; W1003-V1138 WeakPolarHBondContact O-CG1 3.49Å; W1003-T1139 PolarHBondContact N-O 2.77Å; W1003-T1139 PolarHBondContact O-N 2.69Å; W1003-F1141 HydrophobicContact CB-CD2 4.2Å; W1003-F1141 HydrophobicContact CB-CE2 4.03Å; W1003-F1141 HydrophobicContact CD2-CE2 4.3Å; W1003-F1141 HydrophobicContact CE3-CE2 4.04Å; W1003-F1141 HydrophobicContact CG-CE2 4.34Å
1004	V	88.8	Confident	71.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.297	C	S	.	.			trans	-128.7	151.6	172.8	75.8	0	0	0	0	108.5	L1006 L1136 V1138 I1196 I1207	V1004-L1006 PolarHBondContact O-N 3.41Å; V1004-L1136 HydrophobicContact CG2-CB 3.66Å; V1004-L1136 HydrophobicContact CG2-CD1 4.32Å; V1004-V1138 HydrophobicContact CB-CG2 4.25Å; V1004-V1138 HydrophobicContact CG2-CG2 4.11Å; V1004-I1196 HydrophobicContact CB-CD1 4.13Å; V1004-I1196 HydrophobicContact CG1-CD1 3.56Å; V1004-I1207 HydrophobicContact CG2-CG2 4.05Å
1005	R	84.2	Confident	68	Low	126 Å²	126	65 Å²	65	48%	0.475	33%	0.328	S	S	.	.			trans	-64.1	129.1	170.8	-170.3	172.9	-166.7	-119.8	-10.8	109.6	E981 W1003 L1136	E981-R1005 IonicContact OE1-CZ 2.68Å; E981-R1005 IonicContact OE1-NE 2.8Å; E981-R1005 PolarHBondContact OE1-NE 3.14Å; E981-R1005 IonicContact OE1-NH2 3.54Å; E981-R1005 PolarHBondContact OE1-NH2 2.91Å; E981-R1005 IonicContact OE2-NE 3.49Å; E981-R1005 PolarHBondContact OE2-NE 2.93Å; W1003-R1005 HydrophobicContact CH2-CB 4.4Å; R1005-L1136 WeakPolarHBondContact O-CD1 3.48Å
1006	L	83	Confident	65.1	Low	39 Å²	39	70.6 Å²	70.6	20%	0.204	36%	0.357	C	S	.	.			trans	-75.5	135.7	179.2	-59.4	-178.5	0	0	0	110.8	V570 V1004 M1008 N1194 G1208	V570-L1006 HydrophobicContact CG1-CD1 4.43Å; V570-L1006 HydrophobicContact CG2-CD1 3.99Å; V1004-L1006 PolarHBondContact O-N 3.41Å; L1006-M1008 PolarHBondContact O-N 3.44Å; L1006-N1194 HydrophobicContact CD2-CB 3.89Å; L1006-G1208 CarbonylContact C-O 3.5Å; L1006-G1208 WeakPolarHBondContact CA-O 3.42Å
1007	R	78.7	Confident	62	Low	54 Å²	54	79.4 Å²	79.4	20%	0.204	40%	0.398	C	S	.	.			trans	-82.1	101.6	168.2	-70.3	-175.2	179.7	-124.2	-0.5	107.7	D1132 T1134 L1136 Y1205 I1207 G1208 Q1209	R1007-D1132 PolarHBondContact NH1-O 3.02Å; R1007-D1132 PolarHBondContact NH2-O 2.91Å; R1007-T1134 PolarHBondContact NH2-O 2.84Å; R1007-L1136 HydrophobicContact CG-CD1 3.93Å; R1007-Y1205 WeakPolarHBondContact CD-O 3.29Å; R1007-Y1205 PolarHBondContact NE-O 3.09Å; R1007-I1207 WeakPolarHBondContact CD-O 3.5Å; R1007-I1207 WeakPolarHBondContact CG-O 3.34Å; R1007-I1207 PolarHBondContact NE-O 3.12Å; R1007-G1208 PolarHBondContact N-O 2.92Å; R1007-Q1209 HydrophobicContact CB-CG 3.96Å
1008	M	59.7	Low	59.1	Low	124 Å²	124	86.4 Å²	86.4	61%	0.611	44%	0.435	S	S	*	.			trans	-75.9	139.8	169	-65.9	-68.9	-167.9	0	0	109.4	L1006 E1010	L1006-M1008 PolarHBondContact O-N 3.44Å; M1008-E1010 PolarHBondContact O-N 3.48Å
1009	N	52.2	Low	56.4	Low	72 Å²	72	86.3 Å²	86.3	39%	0.385	45%	0.445	S	S	.	.			trans	-79	102	169.9	-72.1	-24.4	0	0	0	109.1	D1011 S1012	N1009-D1011 PolarHBondContact O-N 2.86Å; N1009-S1012 PolarHBondContact O-N 3.21Å; N1009-S1012 PolarHBondContact O-OG 2.97Å
1010	E	33.2	Very low	53.4	Low	172 Å²	172	91.5 Å²	91.5	80%	0.804	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.8	-174.1	-62.6	-164.2	135.8	0	0	113.4	M1008 S1012 T1013	M1008-E1010 PolarHBondContact O-N 3.48Å; E1010-S1012 VanDerWaalsContact C-N 3.26Å; E1010-S1012 PolarHBondContact O-N 3.33Å; E1010-T1013 PolarHBondContact O-OG1 3.04Å
1011	D	31.7	Very low	50.4	Low	134 Å²	134	97.7 Å²	97.7	72%	0.717	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-78.5	4.7	-180	-63.9	-51.3	0	0	0	115.4	N1009 T1013	N1009-D1011 PolarHBondContact O-N 2.86Å; D1011-T1013 PolarHBondContact O-N 2.92Å
1012	S	32.5	Very low	47.2	Very low	94 Å²	94	103.3 Å²	103.3	66%	0.657	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-73	-4.6	176	54.3	0	0	0	0	114.6	N1009 E1010	N1009-S1012 PolarHBondContact O-N 3.21Å; N1009-S1012 PolarHBondContact O-OG 2.97Å; E1010-S1012 VanDerWaalsContact C-N 3.26Å; E1010-S1012 PolarHBondContact O-N 3.33Å
1013	T	26.6	Very low	43.9	Very low	118 Å²	118	112.3 Å²	112.3	72%	0.724	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-126.1	9.5	-170.7	58.1	0	0	0	0	115.3	E1010 D1011	E1010-T1013 PolarHBondContact O-OG1 3.04Å; D1011-T1013 PolarHBondContact O-N 2.92Å
1014	K	23.8	Very low	40.9	Very low	162 Å²	162	118.2 Å²	118.2	70%	0.704	63%	0.626	S	S	*	*			trans	-123.2	127	169.7	-72.9	-175.9	175	-176.9	0	110.6
1015	P	26.1	Very low	37.9	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	66%	0.66	S	S	*	*			trans	-63	140.2	155.5	30.3	-32	0	0	0	108.1	E1017	P1015-E1017 PolarHBondContact O-N 3.22Å
1016	I	27.7	Very low	35.2	Very low	121 Å²	121	124.5 Å²	124.5	62%	0.621	68%	0.678	S	S	*	*			trans	-74.7	115.1	175.4	-65.7	173.6	0	0	0	107.4	N1018 M1123	I1016-N1018 PolarHBondContact O-N 3.4Å; I1016-N1018 VanDerWaalsContact O-N 3.12Å; I1016-M1123 HydrophobicContact CD1-CE 3.8Å; I1016-M1123 HydrophobicContact CD1-SD 3.99Å
1017	E	25	Very low	32.4	Very low	184 Å²	184	129.9 Å²	129.9	86%	0.86	71%	0.707	S	S	*	*			trans	-58.5	114.3	166.9	-67.4	-179.7	147.4	0	0	108.4	P1015 P1019	P1015-E1017 PolarHBondContact O-N 3.22Å; E1017-P1019 WeakPolarHBondContact O-CD 3.49Å; E1017-P1019 VanDerWaalsContact O-N 3.17Å
1018	N	27.5	Very low	30.1	Very low	148 Å²	148	132.9 Å²	132.9	79%	0.791	74%	0.737	S	S	*	*			trans	-59.7	119.7	170.4	-84.9	-39.6	0	0	0	108.2	I1016 V1020	I1016-N1018 PolarHBondContact O-N 3.4Å; I1016-N1018 VanDerWaalsContact O-N 3.12Å; N1018-V1020 PolarHBondContact O-N 3.45Å
1019	P	28.8	Very low	28.5	Very low	102 Å²	102	133.9 Å²	133.9	66%	0.662	74%	0.744	S	S	*	*			trans	-63.6	128.3	-179	25.6	-33.2	0	0	0	109.3	E1017 V1021	E1017-P1019 WeakPolarHBondContact O-CD 3.49Å; E1017-P1019 VanDerWaalsContact O-N 3.17Å; P1019-V1021 VanDerWaalsContact C-N 3.3Å; P1019-V1021 PolarHBondContact O-N 2.79Å
1020	V	24.7	Very low	27.4	Very low	137 Å²	137	138.5 Å²	138.5	83%	0.83	77%	0.768	S	S	*	*			trans	-67.8	91.3	174.8	179.3	0	0	0	0	108.5	N1018 T1022	N1018-V1020 PolarHBondContact O-N 3.45Å; V1020-T1022 PolarHBondContact O-N 3.02Å
1021	V	26.8	Very low	27	Very low	131 Å²	131	138.1 Å²	138.1	79%	0.794	77%	0.766	S	S	*	*			trans	-68.6	100.7	171.2	-179.8	0	0	0	0	107.7	P1019	P1019-V1021 VanDerWaalsContact C-N 3.3Å; P1019-V1021 PolarHBondContact O-N 2.79Å
1022	T	26.1	Very low	26.6	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.724	76%	0.764	S	S	*	*			trans	-58.5	137.1	171.6	48.6	0	0	0	0	110.5	V1020 D1024	V1020-T1022 PolarHBondContact O-N 3.02Å; T1022-D1024 PolarHBondContact O-N 3.36Å
1023	E	22.8	Very low	26.4	Very low	191 Å²	191	140 Å²	140	89%	0.893	78%	0.776	S	S	*	*			trans	-53	129.6	174.7	-56.7	177.7	127.2	0	0	111.4
1024	D	28.6	Very low	26.2	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	78%	0.779	S	S	*	*			trans	-147.9	156.4	145.7	-141.6	-20.6	0	0	0	112.4	T1022	T1022-D1024 PolarHBondContact O-N 3.36Å
1025	N	25.3	Very low	26.3	Very low	136 Å²	136	141.7 Å²	141.7	73%	0.727	79%	0.785	S	S	*	*			trans	-100.4	131.9	-152.6	-71.9	-102.6	0	0	0	114
1026	S	28.8	Very low	26.2	Very low	122 Å²	122	145.1 Å²	145.1	85%	0.853	79%	0.792	S	S	*	*			trans	-150.8	141	143.5	63.7	0	0	0	0	112.5
1027	N	24.7	Very low	26.1	Very low	152 Å²	152	146.9 Å²	146.9	81%	0.813	80%	0.801	S	S	*	*			trans	-100.7	140.5	-172.2	-70.7	-91.7	0	0	0	112.1
1028	S	29.8	Very low	26.3	Very low	118 Å²	118	144.5 Å²	144.5	83%	0.825	79%	0.792	S	S	*	*			trans	-150	154.4	141.8	70.1	0	0	0	0	111.6
1029	L	26.3	Very low	26.1	Very low	144 Å²	144	144.4 Å²	144.4	75%	0.754	79%	0.792	S	S	*	*			trans	-84.8	150.3	-171.1	-73.5	71.6	0	0	0	110.2
1030	L	28.2	Very low	25.9	Very low	170 Å²	170	146.4 Å²	146.4	89%	0.89	80%	0.797	S	S	*	*				-154.6	166.8	75.8	-129.8	88.1	0	0	0	115
1031	Q	26.2	Very low	26	Very low	164 Å²	164	147.3 Å²	147.3	77%	0.766	80%	0.797	S	S	*	*			trans	-96.9	141.4	-168.7	-56.6	171.5	-81.9	0	0	114
1032	S	23.2	Very low	25.9	Very low	97 Å²	97	146.4 Å²	146.4	68%	0.678	79%	0.792	S	S	*	*			trans	37.5	133.3	139.6	67.5	0	0	0	0	121.3
1033	N	26.5	Very low	26	Very low	170 Å²	170	147.5 Å²	147.5	91%	0.909	79%	0.792	S	S	*	*				-153.4	139.6	127.1	-109.5	-53.5	0	0	0	112.8
1034	T	22.7	Very low	26	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	78%	0.784	S	S	*	*			trans	-103.9	123.6	-176	-50.3	0	0	0	0	111.4
1035	K	26	Very low	25.8	Very low	187 Å²	187	145.1 Å²	145.1	81%	0.813	78%	0.784	S	S	*	*			trans	-145	127.4	158.6	-70.3	-174.7	178.3	176.8	0	106.3
1036	Q	23.4	Very low	25.8	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.804	78%	0.783	S	S	*	*			cis	69.4	83.3	44.4	-147.7	-179.9	32.7	0	0	112.8
1037	I	27.7	Very low	25.4	Very low	158 Å²	158	143.1 Å²	143.1	81%	0.81	78%	0.782	S	S	*	*			trans	-134.6	108.3	168.1	-58	176.8	0	0	0	101.9
1038	I	28.2	Very low	25.4	Very low	134 Å²	134	144.5 Å²	144.5	69%	0.687	78%	0.783	S	S	*	*				69.2	103.7	51.3	-54.4	-177.9	0	0	0	111.2
1039	D	23	Very low	25	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	79%	0.786	S	S	*	*			trans	-57.9	132.6	176	-48.1	-91.5	0	0	0	111.9
1040	N	24.3	Very low	25	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	79%	0.787	S	S	*	*			trans	175	106.8	130.8	-91.9	-53	0	0	0	109.8
1041	D	28	Very low	24.7	Very low	156 Å²	156	144.8 Å²	144.8	83%	0.834	79%	0.786	S	S	*	*				-154.8	118.3	129.5	-112.6	-30.9	0	0	0	110.1
1042	T	23.7	Very low	24.7	Very low	112 Å²	112	144.5 Å²	144.5	69%	0.687	79%	0.79	S	S	*	*			trans	-106.6	87.2	-175.9	-54.6	0	0	0	0	109.7	N1044	T1042-N1044 PolarHBondContact O-N 2.8Å
1043	I	28.1	Very low	24.6	Very low	141 Å²	141	148.1 Å²	148.1	72%	0.723	80%	0.796	S	S	*	*			trans	-87.1	105.5	174.6	-62.2	-179.2	0	0	0	109.1	I1045	I1043-I1045 HydrophobicContact CG2-CG1 4.5Å; I1043-I1045 PolarHBondContact O-N 3.48Å
1044	N	22.2	Very low	24.5	Very low	136 Å²	136	147.6 Å²	147.6	73%	0.727	79%	0.792	S	S	*	*			trans	-67.2	114.2	173.2	-71.8	-49.6	0	0	0	110.6	T1042	T1042-N1044 PolarHBondContact O-N 2.8Å
1045	I	26	Very low	24.4	Very low	159 Å²	159	150.2 Å²	150.2	82%	0.815	80%	0.795	S	S	*	*			trans	-107.3	93.9	157.7	-59.6	-178	0	0	0	107.4	I1043 A1047	I1043-I1045 HydrophobicContact CG2-CG1 4.5Å; I1043-I1045 PolarHBondContact O-N 3.48Å; I1045-A1047 PolarHBondContact O-N 3.23Å
1046	T	23.8	Very low	24.4	Very low	116 Å²	116	149 Å²	149	71%	0.712	80%	0.796	S	S	*	*			trans	-69.2	118.2	172.1	41.5	0	0	0	0	110	Q1048	T1046-Q1048 PolarHBondContact O-N 2.98Å
1047	A	21.4	Very low	24.4	Very low	100 Å²	100	146.6 Å²	146.6	83%	0.826	79%	0.793	S	S	*	*			trans	-63	123.3	166.5	0	0	0	0	0	109.8	I1045	I1045-A1047 PolarHBondContact O-N 3.23Å
1048	Q	24.1	Very low	24.3	Very low	181 Å²	181	145.1 Å²	145.1	85%	0.846	79%	0.794	S	S	*	*			trans	-122	110.1	164.2	-74.1	-160.1	-64.4	0	0	109.7	T1046	T1046-Q1048 PolarHBondContact O-N 2.98Å
1049	T	22.5	Very low	24.1	Very low	145 Å²	145	145.4 Å²	145.4	89%	0.89	80%	0.802	S	S	*	*			trans	-71.6	126.1	166.3	49.1	0	0	0	0	109.9
1050	S	25.8	Very low	24.2	Very low	111 Å²	111	144.4 Å²	144.4	78%	0.776	80%	0.802	S	S	*	*			trans	-148.6	121	162.3	60.4	0	0	0	0	110.9
1051	E	22.6	Very low	24.3	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	80%	0.803	S	S	*	*			trans	-65.1	146.5	169.4	-54.4	155.3	122.3	0	0	110
1052	N	25.4	Very low	24.2	Very low	158 Å²	158	143.9 Å²	143.9	85%	0.845	80%	0.804	S	S	*	*				-172.8	165.2	125.2	-105.8	-67.5	0	0	0	114.1
1053	Q	22	Very low	24.2	Very low	173 Å²	173	143 Å²	143	81%	0.808	80%	0.802	S	S	*	*			trans	-90.2	154.2	-175.6	-56.7	167.2	-14.3	0	0	112.6
1054	L	24.3	Very low	24.2	Very low	159 Å²	159	143.1 Å²	143.1	83%	0.832	81%	0.809	S	S	*	*			trans	179	104.4	145.1	-97.4	153	0	0	0	107.5
1055	Q	20.9	Very low	24.4	Very low	184 Å²	184	143.8 Å²	143.8	86%	0.86	81%	0.811	S	S	*	*				41.8	99.8	83.2	-82.9	-164	-17.9	0	0	115.2
1056	I	25.2	Very low	24.4	Very low	162 Å²	162	144 Å²	144	83%	0.831	81%	0.814	S	S	*	*			trans	-135.7	121.6	154.9	-59.9	-176.8	0	0	0	108.7
1057	T	23.6	Very low	24.4	Very low	121 Å²	121	143.6 Å²	143.6	74%	0.742	82%	0.816	S	S	*	*			trans	-88.3	152.7	168.1	37.2	0	0	0	0	111.2
1058	P	24.2	Very low	24.8	Very low	127 Å²	127	146 Å²	146	83%	0.825	82%	0.82	S	S	*	*			trans	-66.5	135.1	-172.2	27.1	-35.8	0	0	0	113.1	T1060	P1058-T1060 PolarHBondContact O-N 2.85Å
1059	T	25.1	Very low	24.9	Very low	139 Å²	139	145.2 Å²	145.2	85%	0.853	81%	0.814	S	S	*	*			trans	-88.4	103.8	-179.3	49.4	0	0	0	0	112.1
1060	T	25.4	Very low	25.2	Very low	127 Å²	127	147.7 Å²	147.7	78%	0.779	82%	0.816	S	S	*	*			trans	-71.6	133.6	167	48.1	0	0	0	0	112.1	P1058	P1058-T1060 PolarHBondContact O-N 2.85Å
1061	T	25.3	Very low	25.3	Very low	131 Å²	131	147.9 Å²	147.9	80%	0.804	80%	0.804	S	S	*	*			trans	10.3	120.2	153.6	55.8	0	0	0	0	119.3
1062	N	27	Very low	25.6	Very low	157 Å²	157	145.7 Å²	145.7	84%	0.84	79%	0.794	S	S	*	*			trans	-50.5	152.2	151.4	-74.3	-34.2	0	0	0	112.1
1063	S	24	Very low	25.7	Very low	92 Å²	92	144 Å²	144	64%	0.643	79%	0.785	S	S	*	*			cis	-177.5	125.3	-14.8	51.8	0	0	0	0	110.3
1064	T	27.1	Very low	26	Very low	144 Å²	144	142.5 Å²	142.5	88%	0.883	78%	0.782	S	S	*	*			trans	-155.8	90.8	158.6	-4	0	0	0	0	114.5
1065	I	26.4	Very low	26.1	Very low	150 Å²	150	141.3 Å²	141.3	77%	0.769	78%	0.777	S	S	*	*			trans	12.2	109.6	141.9	-50.7	170.1	0	0	0	116.8
1066	N	26.5	Very low	26.4	Very low	164 Å²	164	141.1 Å²	141.1	88%	0.877	78%	0.775	S	S	*	*				-162.9	144.3	118.2	-106.3	-33.4	0	0	0	111.6
1067	S	23.3	Very low	26.5	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	77%	0.768	S	S	*	*			trans	-139.5	131.9	-170.1	60.7	0	0	0	0	112.8
1068	T	29.7	Very low	26.7	Very low	150 Å²	150	140.8 Å²	140.8	92%	0.92	78%	0.775	S	S	*	*			trans	-137.3	140.7	153.8	33.2	0	0	0	0	109.3
1069	K	26.5	Very low	26.8	Very low	165 Å²	165	138.3 Å²	138.3	72%	0.717	77%	0.772	S	S	*	*			trans	-93.1	162.4	177.2	-60.4	171.8	153.3	-145	0	110.3	E1071	K1069-E1071 IonicContact NZ-OE2 2.75Å; K1069-E1071 PolarHBondContact NZ-OE2 3.11Å
1070	E	29.1	Very low	26.8	Very low	197 Å²	197	136.5 Å²	136.5	92%	0.921	77%	0.765	S	S	*	*				-156.6	168.7	119.3	-119.5	169	-162	0	0	112.5
1071	E	27.6	Very low	26.8	Very low	115 Å²	115	139.5 Å²	139.5	54%	0.537	77%	0.768	S	S	.	*			trans	-142.9	161.9	-159.6	-47.7	-178.5	28.4	0	0	108	K1069	K1069-E1071 IonicContact NZ-OE2 2.75Å; K1069-E1071 PolarHBondContact NZ-OE2 3.11Å
1072	Q	28.9	Very low	26.9	Very low	138 Å²	138	140.2 Å²	140.2	65%	0.645	77%	0.767	S	S	*	*			cis	-168.9	169.2	14.6	-144.3	176.7	83.4	0	0	109.2
1073	N	27.9	Very low	26.7	Very low	123 Å²	123	139.6 Å²	139.6	66%	0.658	76%	0.762	S	S	*	*			trans	70	157.1	154.2	-62.7	-29.5	0	0	0	120.1
1074	L	27.6	Very low	26.8	Very low	140 Å²	140	146.6 Å²	146.6	73%	0.733	77%	0.774	S	S	*	*			cis	-167.7	147.9	-29	-157.7	81.4	0	0	0	109.6
1075	N	26	Very low	26.6	Very low	135 Å²	135	146.4 Å²	146.4	72%	0.722	77%	0.768	S	S	*	*			trans	17.2	148.8	155.6	-53.9	-13.4	0	0	0	121.6
1076	Q	27.7	Very low	26.6	Very low	179 Å²	179	146.9 Å²	146.9	84%	0.836	76%	0.764	S	S	*	*			cis	179	165	38.5	-146.4	-177.3	-8.9	0	0	114.2
1077	V	28.1	Very low	26.4	Very low	112 Å²	112	147 Å²	147	68%	0.679	77%	0.765	S	S	*	*			trans	82.8	119.8	153.7	-176.6	0	0	0	0	123.9
1078	D	26.3	Very low	26.6	Very low	165 Å²	165	148.6 Å²	148.6	88%	0.882	76%	0.76	S	S	*	*			trans	44.3	155.1	148.1	-65.2	-28.6	0	0	0	126.5
1079	G	26.7	Very low	26.2	Very low	75 Å²	75	147.2 Å²	147.2	77%	0.773	75%	0.751	S	S	*	*			trans	-172.9	-50.6	170.3	0	0	0	0	0	121.4
1080	S	25.1	Very low	26.1	Very low	101 Å²	101	146.4 Å²	146.4	71%	0.706	75%	0.753	S	S	*	*			trans	67.6	119	179.1	166.9	0	0	0	0	121
1081	K	26	Very low	25.8	Very low	190 Å²	190	142.5 Å²	142.5	83%	0.826	74%	0.739	S	S	*	*			trans	62.2	114.4	147.5	-63.8	172.3	-176	174	0	121.1
1082	N	26.8	Very low	25.6	Very low	146 Å²	146	143.5 Å²	143.5	78%	0.781	75%	0.748	S	S	*	*				-167.2	132.3	99.1	-111	-18.9	0	0	0	116
1083	I	23.9	Very low	25.3	Very low	144 Å²	144	144.8 Å²	144.8	74%	0.738	75%	0.748	S	S	*	*			trans	10.7	120.3	154.7	-53.9	163.2	0	0	0	118.6
1084	R	25.8	Very low	25.1	Very low	238 Å²	238	147.8 Å²	147.8	90%	0.898	76%	0.755	S	S	*	*			trans	-152.2	138.7	138.3	-158	170.6	-63.2	-167.2	2.9	110.6
1085	N	23.8	Very low	24.9	Very low	141 Å²	141	149 Å²	149	75%	0.754	76%	0.757	S	S	*	*			trans	-67.5	137.9	-177.3	-61.1	11.6	0	0	0	112
1086	K	26.2	Very low	24.7	Very low	160 Å²	160	146.2 Å²	146.2	70%	0.696	75%	0.748	S	S	*	*			trans	-146.6	127.3	146.7	-105.7	-163.3	166.8	-155.8	0	107.5	E1088	K1086-E1088 WeakPolarHBondContact CD-OE1 3.44Å; K1086-E1088 IonicContact NZ-OE1 3.02Å; K1086-E1088 PolarHBondContact NZ-OE1 3.4Å; K1086-E1088 PolarHBondContact O-N 2.61Å
1087	D	22.4	Very low	24.6	Very low	166 Å²	166	146.5 Å²	146.5	89%	0.888	75%	0.749	S	S	*	*			trans	-77.2	112.1	162.2	-52.3	-83.3	0	0	0	106.8
1088	E	25.8	Very low	24.4	Very low	140 Å²	140	146.1 Å²	146.1	65%	0.654	74%	0.742	S	S	*	*			trans	-136.1	128.9	178.6	-139.5	149.4	-121	0	0	107.3	K1086 I1090	K1086-E1088 WeakPolarHBondContact CD-OE1 3.44Å; K1086-E1088 IonicContact NZ-OE1 3.02Å; K1086-E1088 PolarHBondContact NZ-OE1 3.4Å; K1086-E1088 PolarHBondContact O-N 2.61Å; E1088-I1090 PolarHBondContact O-N 2.77Å
1089	V	23.2	Very low	24.4	Very low	121 Å²	121	145.7 Å²	145.7	73%	0.733	73%	0.734	S	S	*	*			trans	-68.3	125.6	-169.3	176.6	0	0	0	0	109.3	D1091	V1089-D1091 PolarHBondContact O-N 2.71Å
1090	I	23.1	Very low	24.5	Very low	148 Å²	148	148.4 Å²	148.4	76%	0.759	73%	0.73	S	S	*	*			trans	-77.6	85.6	169.1	-56.5	-179.4	0	0	0	107.3	E1088 D1092	E1088-I1090 PolarHBondContact O-N 2.77Å; I1090-D1092 HydrophobicContact CG2-CB 4.05Å; I1090-D1092 PolarHBondContact O-N 2.85Å
1091	D	23	Very low	24.7	Very low	116 Å²	116	147.2 Å²	147.2	62%	0.62	72%	0.716	S	S	*	*			trans	-68	75.1	163.4	-86.6	-45.8	0	0	0	109	V1089 Y1093	V1089-D1091 PolarHBondContact O-N 2.71Å; D1091-Y1093 HydrophobicContact CB-CD2 4.1Å; D1091-Y1093 PolarHBondContact O-N 3.32Å
1092	D	23.5	Very low	24.6	Very low	136 Å²	136	145.4 Å²	145.4	73%	0.727	71%	0.71	S	S	*	*			trans	-74.6	48.6	173.2	-127.9	-11.9	0	0	0	110.4	I1090 K1094	I1090-D1092 HydrophobicContact CG2-CB 4.05Å; I1090-D1092 PolarHBondContact O-N 2.85Å; D1092-K1094 PolarHBondContact O-N 3.31Å
1093	Y	22.9	Very low	24.6	Very low	165 Å²	165	148.1 Å²	148.1	65%	0.647	71%	0.711	S	S	*	*			trans	-69.9	66.1	168.3	-88	-81.8	0	0	0	109.7	D1091 H1095	D1091-Y1093 HydrophobicContact CB-CD2 4.1Å; D1091-Y1093 PolarHBondContact O-N 3.32Å; Y1093-H1095 PolarHBondContact O-N 2.84Å; Y1093-H1095 PolarHBondContact O-ND1 2.99Å
1094	K	23.5	Very low	24.7	Very low	186 Å²	186	148.4 Å²	148.4	81%	0.809	71%	0.707	S	S	*	*			trans	-48.5	113.7	150.3	-89.3	-170.9	171.4	-173.8	0	106.7	D1092 S1096	D1092-K1094 PolarHBondContact O-N 3.31Å; K1094-S1096 PolarHBondContact O-N 2.8Å
1095	H	23.7	Very low	24.7	Very low	166 Å²	166	144.3 Å²	144.3	77%	0.769	70%	0.703	S	S	*	*			trans	-58.6	112.3	171.2	-74.6	19.2	0	0	0	107.4	Y1093 H1097	Y1093-H1095 PolarHBondContact O-N 2.84Å; Y1093-H1095 PolarHBondContact O-ND1 2.99Å; H1095-H1097 PolarHBondContact O-N 3.43Å
1096	S	22.4	Very low	25.1	Very low	75 Å²	75	146.7 Å²	146.7	52%	0.524	71%	0.709	S	S	.	*			trans	-56.6	118.7	159.3	45.6	0	0	0	0	106.4	K1094 I1098	K1094-S1096 PolarHBondContact O-N 2.8Å; S1096-I1098 PolarHBondContact O-N 3.49Å; S1096-I1098 VanDerWaalsContact O-N 3.12Å
1097	H	23.9	Very low	25	Very low	185 Å²	185	144.8 Å²	144.8	86%	0.856	72%	0.716	S	S	*	*			trans	-58.4	120.6	169.1	-81.1	-93.7	0	0	0	107.1	H1095 E1099	H1095-H1097 PolarHBondContact O-N 3.43Å; H1097-E1099 PolarHBondContact O-N 3.33Å
1098	I	25	Very low	25.3	Very low	105 Å²	105	143 Å²	143	54%	0.538	71%	0.706	S	S	.	*			trans	-81.6	104.9	172.3	-51.8	178.8	0	0	0	105.3	S1096 I1100	S1096-I1098 PolarHBondContact O-N 3.49Å; S1096-I1098 VanDerWaalsContact O-N 3.12Å; I1098-I1100 HydrophobicContact CG2-CD1 4.2Å; I1098-I1100 HydrophobicContact CG2-CG1 3.88Å; I1098-I1100 PolarHBondContact O-N 3.08Å
1099	E	25.8	Very low	25.4	Very low	155 Å²	155	141.5 Å²	141.5	72%	0.724	71%	0.709	S	S	*	*			trans	-68.6	82.4	167.1	-79	-178.6	159.1	0	0	109.3	H1097 D1101	H1097-E1099 PolarHBondContact O-N 3.33Å; E1099-D1101 VanDerWaalsContact C-N 3.29Å; E1099-D1101 WeakPolarHBondContact CB-OD1 3.49Å; E1099-D1101 PolarHBondContact O-N 3.05Å
1100	I	29.3	Very low	25.4	Very low	133 Å²	133	142.1 Å²	142.1	68%	0.682	71%	0.713	S	S	*	*			trans	-85	85	152.7	-62.6	165.8	0	0	0	104.7	I1098 E1102	I1098-I1100 HydrophobicContact CG2-CD1 4.2Å; I1098-I1100 HydrophobicContact CG2-CG1 3.88Å; I1098-I1100 PolarHBondContact O-N 3.08Å; I1100-E1102 PolarHBondContact O-N 3.02Å; I1100-E1102 VanDerWaalsContact O-N 3.16Å
1101	D	28.3	Very low	25.6	Very low	75 Å²	75	142.2 Å²	142.2	40%	0.401	71%	0.714	S	S	.	*			trans	-72.5	105	-174.9	-66.3	-36.3	0	0	0	111.4	E1099 Y1103 K1232	E1099-D1101 VanDerWaalsContact C-N 3.29Å; E1099-D1101 WeakPolarHBondContact CB-OD1 3.49Å; E1099-D1101 PolarHBondContact O-N 3.05Å; D1101-Y1103 PolarHBondContact O-N 2.81Å; D1101-Y1103 VanDerWaalsContact O-N 3.09Å; D1101-K1232 IonicContact OD2-NZ 3.14Å; D1101-K1232 PolarHBondContact OD2-NZ 2.8Å
1102	E	24.7	Very low	25.7	Very low	152 Å²	152	144.3 Å²	144.3	71%	0.71	73%	0.725	S	S	*	*			trans	-78.1	37.6	163.3	-65.6	-165.7	120.6	0	0	112.3	I1100	I1100-E1102 PolarHBondContact O-N 3.02Å; I1100-E1102 VanDerWaalsContact O-N 3.16Å
1103	Y	25.7	Very low	25.9	Very low	204 Å²	204	145 Å²	145	80%	0.8	73%	0.729	S	S	*	*			trans	-130.8	101.3	179.8	-90.2	-85.2	0	0	0	113.1	D1101	D1101-Y1103 PolarHBondContact O-N 2.81Å; D1101-Y1103 VanDerWaalsContact O-N 3.09Å
1104	F	27.6	Very low	26.1	Very low	150 Å²	150	144.9 Å²	144.9	66%	0.658	74%	0.74	S	S	*	*			trans	-90.8	86.4	158.2	-96.3	-84.9	0	0	0	109.3	L1393	F1104-L1393 HydrophobicContact CE1-CD2 4.26Å; F1104-L1393 HydrophobicContact CE2-CD2 4.01Å; F1104-L1393 HydrophobicContact CZ-CD2 3.44Å; F1104-L1393 VanDerWaalsContact CZ-CD2 3.44Å
1105	D	25.3	Very low	26.4	Very low	152 Å²	152	145 Å²	145	81%	0.813	74%	0.743	S	S	*	*			trans	-161.1	97.2	157.8	-117.7	-22.2	0	0	0	110.3
1106	E	31.4	Very low	26.7	Very low	190 Å²	190	142.3 Å²	142.3	89%	0.888	74%	0.738	S	S	*	*			trans	-123.2	120.8	163.8	-83.3	-162.4	139	0	0	109.5	L1108	E1106-L1108 PolarHBondContact O-N 3.07Å
1107	S	25.6	Very low	27.3	Very low	120 Å²	120	144.5 Å²	144.5	84%	0.839	75%	0.748	S	S	*	*			trans	-76.4	115.3	-175.1	55.8	0	0	0	0	112.3
1108	L	27.4	Very low	27.7	Very low	130 Å²	130	144.4 Å²	144.4	68%	0.681	75%	0.748	S	S	*	*			trans	-74.5	152.9	158	-84.1	138.2	0	0	0	110.2	E1106	E1106-L1108 PolarHBondContact O-N 3.07Å
1109	P	27.4	Very low	28	Very low	108 Å²	108	145.7 Å²	145.7	70%	0.701	76%	0.756	S	S	*	*			trans	-66.6	145.6	-179.7	28.7	-34.7	0	0	0	111.2	L1111	P1109-L1111 PolarHBondContact O-N 3.43Å
1110	T	24.2	Very low	28.3	Very low	134 Å²	134	143.3 Å²	143.3	82%	0.822	75%	0.746	S	S	*	*			trans	-67.1	100.5	179.3	51.3	0	0	0	0	111.2
1111	L	26.7	Very low	28.5	Very low	150 Å²	150	144.7 Å²	144.7	79%	0.785	75%	0.75	S	S	*	*			trans	-67.4	146.9	153.2	-78.9	156.3	0	0	0	108.5	P1109 D1113	P1109-L1111 PolarHBondContact O-N 3.43Å; L1111-D1113 PolarHBondContact O-N 2.76Å
1112	N	26.6	Very low	28.6	Very low	160 Å²	160	144.6 Å²	144.6	86%	0.856	76%	0.755	S	S	*	*			trans	-75.6	116.1	-179.1	-67.5	-32.3	0	0	0	110.3	D1114	N1112-D1114 PolarHBondContact O-N 2.89Å
1113	D	26.4	Very low	28.9	Very low	151 Å²	151	141.2 Å²	141.2	81%	0.807	74%	0.74	S	S	*	*			trans	-72.8	100	170	-66.9	-53.8	0	0	0	110.5	L1111	L1111-D1113 PolarHBondContact O-N 2.76Å
1114	D	27.6	Very low	29.3	Very low	162 Å²	162	135.3 Å²	135.3	87%	0.866	72%	0.723	S	S	*	*	S	Bend	trans	-168.3	29	160.2	-111.9	-15	0	0	0	116.3	N1112	N1112-D1114 PolarHBondContact O-N 2.89Å
1115	E	28.9	Very low	29.4	Very low	189 Å²	189	135.3 Å²	135.3	88%	0.883	72%	0.724	S	S	*	*	S	Bend	trans	-150.8	5.7	178	-135.7	166.9	-143.9	0	0	119.2
1116	T	30.3	Very low	29.7	Very low	108 Å²	108	132.6 Å²	132.6	66%	0.663	71%	0.713	S	S	*	*			trans	-115.7	2.6	-166	50.4	0	0	0	0	117.7
1117	V	35.1	Very low	30	Very low	122 Å²	122	126.6 Å²	126.6	74%	0.739	69%	0.687	S	S	*	*	S	Bend	trans	-75	-40.6	-169.8	-179.7	0	0	0	0	114.1	N1119	V1117-N1119 PolarHBondContact O-N 3.13Å
1118	E	32.4	Very low	30.4	Very low	183 Å²	183	127.6 Å²	127.6	86%	0.855	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-18.6	-169.3	-64.2	-167.5	142.8	0	0	114.9
1119	N	31.2	Very low	30.8	Very low	131 Å²	131	128.3 Å²	128.3	70%	0.701	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-7.8	-177.1	-75.5	-29.2	0	0	0	114.6	V1117 S1122	V1117-N1119 PolarHBondContact O-N 3.13Å; N1119-S1122 PolarHBondContact O-OG 3.3Å
1120	M	32.8	Very low	31.6	Very low	106 Å²	106	127.7 Å²	127.7	52%	0.522	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98	-22.9	-170.6	-145.2	172.8	72.8	0	0	114.4	M1123	M1120-M1123 PolarHBondContact O-N 2.81Å
1121	E	33.1	Very low	33	Very low	162 Å²	162	124.9 Å²	124.9	76%	0.757	66%	0.66	S	S	*	*	H	α-helix	trans	-67	-37.4	176	-65.4	-166	143	0	0	111.7	M1123 N1124	E1121-M1123 VanDerWaalsContact C-N 3.29Å; E1121-M1123 PolarHBondContact O-N 3.31Å; E1121-N1124 PolarHBondContact O-N 3.22Å
1122	S	30.8	Very low	34.7	Very low	73 Å²	73	122.7 Å²	122.7	51%	0.51	65%	0.65	S	S	.	*	H	α-helix	trans	-66.4	-24	176.5	47.9	0	0	0	0	114.7	N1119 T1126	N1119-S1122 PolarHBondContact O-OG 3.3Å; S1122-T1126 PolarHBondContact O-N 2.68Å; S1122-T1126 PolarHBondContact O-OG1 2.63Å
1123	M	30.3	Very low	37.1	Very low	81 Å²	81	118.1 Å²	118.1	40%	0.399	63%	0.625	S	S	.	*	H	α-helix	trans	-73.9	-38.3	176	-95.8	-177.7	69.7	0	0	112.3	I1016 M1120 E1121 T1126 I1127	I1016-M1123 HydrophobicContact CD1-CE 3.8Å; I1016-M1123 HydrophobicContact CD1-SD 3.99Å; M1120-M1123 PolarHBondContact O-N 2.81Å; E1121-M1123 VanDerWaalsContact C-N 3.29Å; E1121-M1123 PolarHBondContact O-N 3.31Å; M1123-T1126 WeakPolarHBondContact CA-OG1 3.27Å; M1123-T1126 PolarHBondContact O-N 3.11Å; M1123-T1126 PolarHBondContact O-OG1 3.48Å; M1123-T1126 VanDerWaalsContact O-OG1 3.07Å; M1123-I1127 HydrophobicContact CE-CD1 4.22Å; M1123-I1127 WeakPolarHBondContact O-CB 3.39Å; M1123-I1127 WeakPolarHBondContact O-CD1 3.46Å; M1123-I1127 VanDerWaalsContact O-CG1 3.25Å; M1123-I1127 WeakPolarHBondContact O-CG1 3.49Å; M1123-I1127 PolarHBondContact O-N 2.93Å
1124	N	33.9	Very low	39.7	Very low	80 Å²	80	113.9 Å²	113.9	43%	0.428	61%	0.605	S	S	.	*	H	α-helix	trans	-67.6	-38.5	179.6	-81.5	-18.6	0	0	0	112	E1121 T1126 M1128	E1121-N1124 PolarHBondContact O-N 3.22Å; N1124-T1126 VanDerWaalsContact C-N 3.32Å; N1124-T1126 PolarHBondContact O-N 3.27Å; N1124-M1128 PolarHBondContact O-N 2.66Å
1125	E	31	Very low	42.1	Very low	149 Å²	149	106.8 Å²	106.8	70%	0.696	57%	0.568	S	S	*	*	H	α-helix	trans	-67.7	-29.1	175.9	-69	-159.2	142.7	0	0	113.3	N1129	E1125-N1129 PolarHBondContact O-ND2 3.28Å
1126	T	31.5	Very low	44.8	Very low	95 Å²	95	99.3 Å²	99.3	58%	0.583	53%	0.534	S	S	*	.	H	α-helix	trans	-79.1	-40.3	174.9	34.4	0	0	0	0	112.4	S1122 M1123 N1124 M1128 N1129	S1122-T1126 PolarHBondContact O-N 2.68Å; S1122-T1126 PolarHBondContact O-OG1 2.63Å; M1123-T1126 WeakPolarHBondContact CA-OG1 3.27Å; M1123-T1126 PolarHBondContact O-N 3.11Å; M1123-T1126 PolarHBondContact O-OG1 3.48Å; M1123-T1126 VanDerWaalsContact O-OG1 3.07Å; N1124-T1126 VanDerWaalsContact C-N 3.32Å; N1124-T1126 PolarHBondContact O-N 3.27Å; T1126-M1128 PolarHBondContact O-N 3.13Å; T1126-N1129 PolarHBondContact O-N 3.28Å
1127	I	36.2	Very low	47.5	Very low	65 Å²	65	95.1 Å²	95.1	33%	0.333	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-37.6	178.9	-68.6	165.2	0	0	0	112.1	M1123 N1129 S1130	M1123-I1127 HydrophobicContact CE-CD1 4.22Å; M1123-I1127 WeakPolarHBondContact O-CB 3.39Å; M1123-I1127 WeakPolarHBondContact O-CD1 3.46Å; M1123-I1127 VanDerWaalsContact O-CG1 3.25Å; M1123-I1127 WeakPolarHBondContact O-CG1 3.49Å; M1123-I1127 PolarHBondContact O-N 2.93Å; I1127-N1129 VanDerWaalsContact C-N 3.29Å; I1127-N1129 PolarHBondContact O-N 2.92Å; I1127-S1130 PolarHBondContact O-OG 2.92Å
1128	M	35.4	Very low	50.1	Low	140 Å²	140	89.5 Å²	89.5	69%	0.69	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.3	177.2	-77.3	-153.7	165.8	0	0	114.7	N1124 T1126	N1124-M1128 PolarHBondContact O-N 2.66Å; T1126-M1128 PolarHBondContact O-N 3.13Å
1129	N	34.9	Very low	52.9	Low	145 Å²	145	81 Å²	81	78%	0.775	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.4	179.6	-83.7	-65.1	0	0	0	114.2	E1125 T1126 I1127	E1125-N1129 PolarHBondContact O-ND2 3.28Å; T1126-N1129 PolarHBondContact O-N 3.28Å; I1127-N1129 VanDerWaalsContact C-N 3.29Å; I1127-N1129 PolarHBondContact O-N 2.92Å
1130	S	44.4	Very low	55.8	Low	95 Å²	95	74.8 Å²	74.8	66%	0.664	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-13.3	-178.8	60.3	0	0	0	0	114.9	I1127 D1132	I1127-S1130 PolarHBondContact O-OG 2.92Å; S1130-D1132 PolarHBondContact O-N 2.86Å
1131	Q	53.8	Low	58.6	Low	76 Å²	76	69.8 Å²	69.8	36%	0.355	38%	0.378	S	S	.	.	S	Bend	trans	-76.3	117.7	179.4	-72.1	-167.4	0.7	0	0	112.1	N1133	Q1131-N1133 PolarHBondContact O-N 2.73Å
1132	D	62.6	Low	61.5	Low	104 Å²	104	62.6 Å²	62.6	56%	0.556	35%	0.345	S	S	*	.			trans	-63.2	106.3	174.9	-173.2	37	0	0	0	110.9	R1007 S1130 T1134	R1007-D1132 PolarHBondContact NH1-O 3.02Å; R1007-D1132 PolarHBondContact NH2-O 2.91Å; S1130-D1132 PolarHBondContact O-N 2.86Å; D1132-T1134 VanDerWaalsContact CG-OG1 3.32Å; D1132-T1134 PolarHBondContact O-N 3.08Å; D1132-T1134 WeakPolarHBondContact OD1-CG2 3.21Å; D1132-T1134 WeakPolarHBondContact OD2-CB 3.41Å; D1132-T1134 WeakPolarHBondContact OD2-CG2 3.49Å; D1132-T1134 PolarHBondContact OD2-OG1 2.95Å
1133	N	76.9	Confident	64.4	Low	64 Å²	64	59.7 Å²	59.7	34%	0.342	32%	0.324	S	S	.	.			trans	-80.2	39.3	-177.9	-174.3	57.2	0	0	0	112.1	Q1131 K1201 Y1204 Y1205	Q1131-N1133 PolarHBondContact O-N 2.73Å; N1133-K1201 PolarHBondContact ND2-O 3.46Å; N1133-Y1204 WeakPolarHBondContact OD1-CA 3.5Å; N1133-Y1204 PolarHBondContact OD1-N 2.98Å; N1133-Y1204 VanDerWaalsContact OD1-N 3.09Å; N1133-Y1205 WeakPolarHBondContact OD1-CD1 3.4Å; N1133-Y1205 PolarHBondContact OD1-N 3.12Å
1134	T	80	Confident	67.3	Low	62 Å²	62	55.8 Å²	55.8	38%	0.38	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-79.9	137.1	172.5	45.1	0	0	0	0	111	R1007 D1132	R1007-T1134 PolarHBondContact NH2-O 2.84Å; D1132-T1134 VanDerWaalsContact CG-OG1 3.32Å; D1132-T1134 PolarHBondContact O-N 3.08Å; D1132-T1134 WeakPolarHBondContact OD1-CG2 3.21Å; D1132-T1134 WeakPolarHBondContact OD2-CB 3.41Å; D1132-T1134 WeakPolarHBondContact OD2-CG2 3.49Å; D1132-T1134 PolarHBondContact OD2-OG1 2.95Å
1135	A	79.5	Confident	70	Confident	12 Å²	12	54 Å²	54	10%	0.099	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-66.1	143	166	0	0	0	0	0	109.6	P1164 Y1204 I1207	A1135-P1164 HydrophobicContact CB-CB 3.49Å; A1135-P1164 VanDerWaalsContact CB-CB 3.49Å; A1135-P1164 WeakPolarHBondContact O-CB 3.47Å; A1135-Y1204 HydrophobicContact CB-CD2 3.62Å; A1135-Y1204 HydrophobicContact CB-CE2 3.77Å; A1135-Y1204 HydrophobicContact CB-CG 4.05Å; A1135-I1207 HydrophobicContact CB-CD1 4.32Å
1136	L	84.8	Confident	72.9	Confident	33 Å²	33	46.9 Å²	46.9	17%	0.173	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-95	135	174.6	-59.4	175.1	0	0	0	109.6	V1004 R1005 R1007 I1207	V1004-L1136 HydrophobicContact CG2-CB 3.66Å; V1004-L1136 HydrophobicContact CG2-CD1 4.32Å; R1005-L1136 WeakPolarHBondContact O-CD1 3.48Å; R1007-L1136 HydrophobicContact CG-CD1 3.93Å; L1136-I1207 HydrophobicContact CB-CG2 4.18Å; L1136-I1207 WeakPolarHBondContact CD1-O 3.31Å
1137	P	87.3	Confident	75.5	Confident	19 Å²	19	45.3 Å²	45.3	12%	0.123	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-67.1	140.2	176	28.7	-33.5	0	0	0	110.7	I956 Y979 T1161 L1162 P1164	I956-P1137 HydrophobicContact CD1-CB 4.26Å; Y979-P1137 WeakPolarHBondContact OH-CG 3.34Å; P1137-T1161 HydrophobicContact CB-CG2 3.92Å; P1137-L1162 VanDerWaalsContact CB-O 3.23Å; P1137-L1162 WeakPolarHBondContact CB-O 3.41Å; P1137-P1164 HydrophobicContact CB-CG 4.03Å; P1137-P1164 HydrophobicContact CG-CG 4.48Å
1138	V	89.9	Confident	77.8	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.024	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-103.6	126.3	-178.9	178.4	0	0	0	0	108.8	F1002 W1003 V1004 L1162 L1167 I1196	F1002-V1138 HydrophobicContact CB-CG1 4.33Å; F1002-V1138 HydrophobicContact CD1-CG1 4.15Å; W1003-V1138 WeakPolarHBondContact O-CA 3.31Å; W1003-V1138 WeakPolarHBondContact O-CG1 3.49Å; V1004-V1138 HydrophobicContact CB-CG2 4.25Å; V1004-V1138 HydrophobicContact CG2-CG2 4.11Å; V1138-L1162 PolarHBondContact O-N 3.23Å; V1138-L1167 HydrophobicContact CB-CD1 3.87Å; V1138-L1167 HydrophobicContact CG1-CD1 3.83Å; V1138-L1167 HydrophobicContact CG2-CD1 3.99Å; V1138-I1196 HydrophobicContact CG1-CG2 3.83Å; V1138-I1196 HydrophobicContact CG2-CG2 3.84Å
1139	T	90.5	Very high	80	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.5	173.5	-49.3	0	0	0	0	109.5	W1003 F1141 I1160 T1161	W1003-T1139 PolarHBondContact N-O 2.77Å; W1003-T1139 PolarHBondContact O-N 2.69Å; T1139-F1141 HydrophobicContact CG2-CD1 4.29Å; T1139-F1141 HydrophobicContact CG2-CD2 4.1Å; T1139-F1141 HydrophobicContact CG2-CE1 3.76Å; T1139-F1141 HydrophobicContact CG2-CE2 3.54Å; T1139-F1141 HydrophobicContact CG2-CG 4.46Å; T1139-F1141 HydrophobicContact CG2-CZ 3.35Å; T1139-I1160 CarbonylContact C-O 3.5Å; T1139-I1160 WeakPolarHBondContact CA-O 3.35Å; T1139-I1160 WeakPolarHBondContact CG2-O 3.46Å; T1139-T1161 PolarHBondContact OG1-OG1 2.89Å
1140	I	92.1	Very high	82.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.8	171.9	-50.1	175.4	0	0	0	107.8	F35 F39 L1000 I1001 F1002 G1159 I1160 L1162	F35-I1140 HydrophobicContact CD1-CD1 3.34Å; F35-I1140 HydrophobicContact CD2-CD1 4.22Å; F35-I1140 HydrophobicContact CE1-CD1 3.35Å; F35-I1140 HydrophobicContact CE2-CD1 4.22Å; F35-I1140 HydrophobicContact CG-CD1 3.8Å; F35-I1140 HydrophobicContact CZ-CD1 3.81Å; F39-I1140 HydrophobicContact CE2-CB 4.35Å; F39-I1140 HydrophobicContact CE2-CG2 3.84Å; F39-I1140 HydrophobicContact CZ-CB 4.31Å; F39-I1140 HydrophobicContact CZ-CG2 4.14Å; F39-I1140 WeakPolarHBondContact CZ-O 3.43Å; L1000-I1140 HydrophobicContact CB-CG2 4.17Å; L1000-I1140 HydrophobicContact CD1-CG2 4.48Å; L1000-I1140 HydrophobicContact CD2-CG2 4.37Å; I1001-I1140 CarbonylContact O-C 3.57Å; I1001-I1140 WeakPolarHBondContact O-CA 3.46Å; F1002-I1140 HydrophobicContact CD1-CD1 3.96Å; F1002-I1140 HydrophobicContact CD1-CG1 3.7Å; F1002-I1140 HydrophobicContact CD2-CG2 4.25Å; F1002-I1140 HydrophobicContact CE1-CD1 3.33Å; F1002-I1140 HydrophobicContact CE1-CG1 3.63Å; F1002-I1140 HydrophobicContact CE2-CD1 4.33Å; F1002-I1140 HydrophobicContact CE2-CG1 4.46Å; F1002-I1140 HydrophobicContact CE2-CG2 4.07Å; F1002-I1140 HydrophobicContact CG-CG1 4.18Å; F1002-I1140 HydrophobicContact CZ-CD1 3.54Å; F1002-I1140 HydrophobicContact CZ-CG1 4.02Å; F1002-I1140 HydrophobicContact CZ-CG2 4.31Å; I1140-G1159 CarbonylContact O-C 3.56Å; I1140-G1159 VanDerWaalsContact O-CA 3.22Å; I1140-G1159 WeakPolarHBondContact O-CA 3.32Å; I1140-I1160 HydrophobicContact CB-CG1 4.03Å; I1140-I1160 PolarHBondContact N-O 2.78Å; I1140-I1160 PolarHBondContact O-N 3.04Å; I1140-L1162 HydrophobicContact CD1-CD1 3.71Å; I1140-L1162 HydrophobicContact CD1-CG 4.43Å; I1140-L1162 HydrophobicContact CG1-CD1 4.16Å
1141	F	92.6	Very high	84	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.7	179.2	-64.7	-81.9	0	0	0	112.8	L982 I990 F991 V994 L1000 I1001 W1003 T1139 V1157 M1158	L982-F1141 HydrophobicContact CD2-CE1 4.46Å; L982-F1141 HydrophobicContact CD2-CZ 4.04Å; I990-F1141 HydrophobicContact CD1-CD2 3.88Å; I990-F1141 HydrophobicContact CD1-CE2 4.18Å; I990-F1141 HydrophobicContact CG1-CD2 3.68Å; I990-F1141 HydrophobicContact CG1-CE2 3.62Å; I990-F1141 HydrophobicContact CG1-CG 4.42Å; I990-F1141 HydrophobicContact CG1-CZ 4.3Å; F991-F1141 HydrophobicContact CE1-CD1 4.45Å; F991-F1141 HydrophobicContact CE1-CE1 4.11Å; V994-F1141 HydrophobicContact CB-CB 4.5Å; V994-F1141 HydrophobicContact CG1-CB 4.3Å; V994-F1141 HydrophobicContact CG2-CB 3.38Å; V994-F1141 HydrophobicContact CG2-CG 4.17Å; L1000-F1141 WeakPolarHBondContact CA-O 3.37Å; I1001-F1141 PolarHBondContact N-O 2.97Å; I1001-F1141 PolarHBondContact O-N 3.46Å; W1003-F1141 HydrophobicContact CB-CD2 4.2Å; W1003-F1141 HydrophobicContact CB-CE2 4.03Å; W1003-F1141 HydrophobicContact CD2-CE2 4.3Å; W1003-F1141 HydrophobicContact CE3-CE2 4.04Å; W1003-F1141 HydrophobicContact CG-CE2 4.34Å; T1139-F1141 HydrophobicContact CG2-CD1 4.29Å; T1139-F1141 HydrophobicContact CG2-CD2 4.1Å; T1139-F1141 HydrophobicContact CG2-CE1 3.76Å; T1139-F1141 HydrophobicContact CG2-CE2 3.54Å; T1139-F1141 HydrophobicContact CG2-CG 4.46Å; T1139-F1141 HydrophobicContact CG2-CZ 3.35Å; F1141-V1157 HydrophobicContact CB-CG1 4.13Å; F1141-V1157 HydrophobicContact CD1-CG1 3.76Å; F1141-V1157 HydrophobicContact CG-CG1 4.36Å; F1141-M1158 CarbonylContact C-O 3.58Å; F1141-M1158 WeakPolarHBondContact CA-O 3.04Å
1142	T	93	Very high	85.5	Confident	11 Å²	11	39.8 Å²	39.8	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	143.5	176.6	-173.3	0	0	0	0	111	F39 K45 N999 M1158	F39-T1142 HydrophobicContact CD1-CG2 3.67Å; F39-T1142 HydrophobicContact CD2-CG2 4.1Å; F39-T1142 HydrophobicContact CE1-CG2 3.5Å; F39-T1142 HydrophobicContact CE2-CG2 3.96Å; F39-T1142 HydrophobicContact CG-CG2 3.97Å; F39-T1142 HydrophobicContact CZ-CG2 3.65Å; K45-T1142 HydrophobicContact CD-CG2 4.06Å; K45-T1142 PolarHBondContact NZ-OG1 3.35Å; N999-T1142 PolarHBondContact O-OG1 3.12Å; T1142-M1158 HydrophobicContact CG2-CB 4.27Å; T1142-M1158 PolarHBondContact N-O 2.73Å; T1142-M1158 PolarHBondContact O-N 2.85Å
1143	S	91.5	Very high	86.7	Confident	11 Å²	11	35.2 Å²	35.2	8%	0.077	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	146.1	177.4	61.9	0	0	0	0	112.3	K45	K45-S1143 VanDerWaalsContact CE-O 3.28Å; K45-S1143 WeakPolarHBondContact CE-O 3.47Å; K45-S1143 PolarHBondContact NZ-O 3.22Å
1144	I	92	Very high	87.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	96.1	175.8	-53.7	173.9	0	0	0	108.5	F48 I49 I960 L962 I1146 K1154 A1155 G1156 M1158	F48-I1144 HydrophobicContact CD1-CD1 4.01Å; F48-I1144 HydrophobicContact CD1-CG2 4Å; F48-I1144 HydrophobicContact CE1-CD1 3.77Å; F48-I1144 HydrophobicContact CE1-CG2 4.03Å; I49-I1144 HydrophobicContact CD1-CG2 4.46Å; I49-I1144 HydrophobicContact CG1-CG2 3.91Å; I960-I1144 HydrophobicContact CG2-CD1 3.86Å; L962-I1144 HydrophobicContact CD2-CD1 4.41Å; I1144-I1146 HydrophobicContact CG2-CD1 4.23Å; I1144-K1154 CarbonylContact O-C 3.58Å; I1144-K1154 WeakPolarHBondContact O-CA 3.36Å; I1144-A1155 PolarHBondContact O-N 3.22Å; I1144-G1156 PolarHBondContact N-O 3.12Å; I1144-M1158 HydrophobicContact CD1-CB 3.98Å; I1144-M1158 HydrophobicContact CG1-CB 3.89Å
1145	T	90.4	Very high	87.8	Confident	41 Å²	41	29.8 Å²	29.8	25%	0.252	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.3	176.6	-45.2	0	0	0	0	111	T1147 D1152 Y1153	T1145-T1147 HydrophobicContact CG2-CG2 4.33Å; T1145-D1152 HydrophobicContact CG2-CB 3.83Å; T1145-Y1153 CarbonylContact C-O 3.55Å; T1145-Y1153 WeakPolarHBondContact CA-O 3.43Å
1146	I	90.7	Very high	88.3	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.8	171.8	-55.5	-57.9	0	0	0	108.1	I49 Y52 K53 L56 I1144 Y1153 A1155	I49-I1146 HydrophobicContact CB-CD1 4.24Å; I49-I1146 HydrophobicContact CG1-CD1 4.03Å; I49-I1146 HydrophobicContact CG2-CD1 3.99Å; Y52-I1146 HydrophobicContact CD1-CD1 3.99Å; Y52-I1146 HydrophobicContact CD1-CG1 3.86Å; Y52-I1146 HydrophobicContact CE1-CG1 4.23Å; Y52-I1146 HydrophobicContact CG-CD1 3.94Å; Y52-I1146 HydrophobicContact CG-CG1 4.25Å; K53-I1146 HydrophobicContact CG-CG2 3.8Å; L56-I1146 HydrophobicContact CD1-CG2 4.03Å; I1144-I1146 HydrophobicContact CG2-CD1 4.23Å; I1146-Y1153 PolarHBondContact N-O 3.01Å; I1146-Y1153 PolarHBondContact O-N 3.07Å; I1146-A1155 HydrophobicContact CG1-CB 3.63Å
1147	T	87.6	Confident	88.7	Confident	61 Å²	61	27.8 Å²	27.8	37%	0.374	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.4	-177	67.9	0	0	0	0	111.2	K53 T1145 N1151 D1152	K53-T1147 WeakPolarHBondContact CE-O 3.2Å; K53-T1147 PolarHBondContact NZ-O 3.13Å; K53-T1147 PolarHBondContact NZ-OG1 3.37Å; T1145-T1147 HydrophobicContact CG2-CG2 4.33Å; T1147-N1151 CarbonylContact C-O 3.58Å; T1147-N1151 WeakPolarHBondContact CA-O 3.47Å; T1147-D1152 WeakPolarHBondContact CB-OD1 3.27Å; T1147-D1152 WeakPolarHBondContact CG2-OD1 3.16Å
1148	Q	84.2	Confident	88.9	Confident	70 Å²	70	26.9 Å²	26.9	33%	0.327	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	100.8	-179.9	-164.4	179.6	24.6	0	0	109.2	L63 N1151	L63-Q1148 HydrophobicContact CD1-CB 3.93Å; L63-Q1148 VanDerWaalsContact N-OE1 3.09Å; Q1148-N1151 PolarHBondContact N-O 2.84Å; Q1148-N1151 WeakPolarHBondContact O-CB 3.11Å; Q1148-N1151 PolarHBondContact O-N 2.87Å; Q1148-N1151 VanDerWaalsContact O-N 3.13Å
1149	G	81.1	Confident	89	Confident	75 Å²	75	26.7 Å²	26.7	77%	0.773	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	-124.4	-169.2	0	0	0	0	0	110.6	N1151	G1149-N1151 VanDerWaalsContact C-N 3.35Å
1150	P	81.5	Confident	89	Confident	122 Å²	122	26.5 Å²	26.5	79%	0.792	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.8	175.5	36.3	-34.9	0	0	0	114.2
1151	N	81.3	Confident	88.8	Confident	55 Å²	55	26.7 Å²	26.7	29%	0.294	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.8	-169.8	-69.3	-2.8	0	0	0	112.2	L63 L601 T1147 Q1148 G1149	L63-N1151 HydrophobicContact CB-CB 4.43Å; L63-N1151 HydrophobicContact CD1-CB 4.18Å; L601-N1151 HydrophobicContact CD1-CB 3.74Å; L601-N1151 HydrophobicContact CD2-CB 4.24Å; T1147-N1151 CarbonylContact C-O 3.58Å; T1147-N1151 WeakPolarHBondContact CA-O 3.47Å; Q1148-N1151 PolarHBondContact N-O 2.84Å; Q1148-N1151 WeakPolarHBondContact O-CB 3.11Å; Q1148-N1151 PolarHBondContact O-N 2.87Å; Q1148-N1151 VanDerWaalsContact O-N 3.13Å; G1149-N1151 VanDerWaalsContact C-N 3.35Å
1152	D	85.5	Confident	88.6	Confident	84 Å²	84	26.7 Å²	26.7	45%	0.449	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.5	-177.6	-89.3	26.7	0	0	0	111.8	Q599 T1145 T1147	Q599-D1152 PolarHBondContact NE2-O 3.48Å; Q599-D1152 VanDerWaalsContact NE2-O 3.09Å; T1145-D1152 HydrophobicContact CG2-CB 3.83Å; T1147-D1152 WeakPolarHBondContact CB-OD1 3.27Å; T1147-D1152 WeakPolarHBondContact CG2-OD1 3.16Å
1153	Y	88.5	Confident	88.4	Confident	7 Å²	7	29.5 Å²	29.5	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.4	-177.9	169.2	-111.3	0	0	0	111.8	L63 L601 L603 N963 T1145 I1146 A1155	L63-Y1153 HydrophobicContact CD1-CG 4.48Å; L63-Y1153 HydrophobicContact CD2-CD1 3.81Å; L63-Y1153 HydrophobicContact CD2-CD2 4.12Å; L63-Y1153 HydrophobicContact CD2-CE1 4.48Å; L63-Y1153 HydrophobicContact CD2-CG 3.59Å; L601-Y1153 HydrophobicContact CB-CD2 4.45Å; L601-Y1153 WeakPolarHBondContact O-CD2 3.39Å; L603-Y1153 HydrophobicContact CD1-CE1 3.92Å; L603-Y1153 WeakPolarHBondContact CD1-OH 2.87Å; L603-Y1153 HydrophobicContact CD2-CD1 4.42Å; L603-Y1153 HydrophobicContact CD2-CE1 3.97Å; L603-Y1153 HydrophobicContact CG-CE1 3.76Å; N963-Y1153 VanDerWaalsContact ND2-CZ 3.33Å; N963-Y1153 PolarHBondContact ND2-OH 3.48Å; T1145-Y1153 CarbonylContact C-O 3.55Å; T1145-Y1153 WeakPolarHBondContact CA-O 3.43Å; I1146-Y1153 PolarHBondContact N-O 3.01Å; I1146-Y1153 PolarHBondContact O-N 3.07Å; Y1153-A1155 HydrophobicContact CD1-CB 3.88Å; Y1153-A1155 HydrophobicContact CE1-CB 3.64Å; Y1153-A1155 PolarHBondContact O-N 2.63Å
1154	K	89.8	Confident	88.1	Confident	13 Å²	13	31.1 Å²	31.1	6%	0.057	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	100.7	173.2	-62.7	170	-165.6	168.8	0	108.6	Y497 D598 Q599 N963 Y995 I1144 G1156	Y497-K1154 HydrophobicContact CE2-CB 4.1Å; Y497-K1154 WeakPolarHBondContact OH-CB 3.38Å; Y497-K1154 WeakPolarHBondContact OH-CD 3.34Å; D598-K1154 IonicContact OD2-NZ 3.31Å; D598-K1154 PolarHBondContact OD2-NZ 3.1Å; Q599-K1154 HydrophobicContact CG-CD 3.83Å; Q599-K1154 HydrophobicContact CG-CG 4.37Å; Q599-K1154 VanDerWaalsContact OE1-CB 3.27Å; N963-K1154 PolarHBondContact ND2-O 3.05Å; N963-K1154 PolarHBondContact OD1-O 3.04Å; Y995-K1154 HydrophobicContact CD1-CB 4.22Å; Y995-K1154 HydrophobicContact CD1-CD 4.4Å; Y995-K1154 HydrophobicContact CE1-CB 4.24Å; Y995-K1154 PolarHBondContact O-NZ 3.06Å; I1144-K1154 CarbonylContact O-C 3.58Å; I1144-K1154 WeakPolarHBondContact O-CA 3.36Å; K1154-G1156 VanDerWaalsContact C-N 3.33Å
1155	A	89.9	Confident	88	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-7.9	-176.9	0	0	0	0	0	114.4	Y52 L962 N963 I1144 I1146 Y1153	Y52-A1155 HydrophobicContact CE1-CB 4.1Å; Y52-A1155 HydrophobicContact CE2-CB 3.92Å; L962-A1155 WeakPolarHBondContact CD2-O 3.48Å; N963-A1155 PolarHBondContact N-O 3.08Å; N963-A1155 PolarHBondContact OD1-O 3.43Å; N963-A1155 VanDerWaalsContact OD1-O 3.06Å; I1144-A1155 PolarHBondContact O-N 3.22Å; I1146-A1155 HydrophobicContact CG1-CB 3.63Å; Y1153-A1155 HydrophobicContact CD1-CB 3.88Å; Y1153-A1155 HydrophobicContact CE1-CB 3.64Å; Y1153-A1155 PolarHBondContact O-N 2.63Å
1156	G	90.4	Very high	87.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	-162.7	-177.6	0	0	0	0	0	113.8	A961 N963 I1144 K1154	A961-G1156 CarbonylContact O-C 3.59Å; A961-G1156 WeakPolarHBondContact O-CA 3.47Å; N963-G1156 PolarHBondContact OD1-N 2.84Å; I1144-G1156 PolarHBondContact N-O 3.12Å; K1154-G1156 VanDerWaalsContact C-N 3.33Å
1157	V	92.1	Very high	87.9	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.8	179.1	172.5	0	0	0	0	109.8	I960 A961 F991 V994 Y995 F1141	I960-V1157 WeakPolarHBondContact CA-O 3.41Å; A961-V1157 PolarHBondContact N-O 3.29Å; A961-V1157 PolarHBondContact O-N 2.81Å; F991-V1157 HydrophobicContact CD1-CB 4.04Å; F991-V1157 HydrophobicContact CD1-CG1 3.91Å; F991-V1157 HydrophobicContact CD1-CG2 4.08Å; F991-V1157 HydrophobicContact CE1-CB 4.34Å; F991-V1157 HydrophobicContact CE1-CG1 4.06Å; V994-V1157 HydrophobicContact CB-CG1 4.41Å; V994-V1157 HydrophobicContact CB-CG2 4.15Å; V994-V1157 HydrophobicContact CG1-CB 4.42Å; V994-V1157 HydrophobicContact CG1-CG1 3.87Å; V994-V1157 HydrophobicContact CG1-CG2 3.77Å; Y995-V1157 HydrophobicContact CD1-CG2 4.3Å; Y995-V1157 HydrophobicContact CE1-CG2 4.13Å; Y995-V1157 HydrophobicContact CE2-CG2 4.4Å; F1141-V1157 HydrophobicContact CB-CG1 4.13Å; F1141-V1157 HydrophobicContact CD1-CG1 3.76Å; F1141-V1157 HydrophobicContact CG-CG1 4.36Å
1158	M	92.6	Very high	88	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.2	171.2	-178.3	174.4	-80	0	0	109.7	F39 A43 K45 F48 T959 I960 F1141 T1142 I1144	F39-M1158 HydrophobicContact CD1-CG 4.14Å; F39-M1158 HydrophobicContact CD1-SD 4.03Å; F39-M1158 HydrophobicContact CE1-CG 4.03Å; A43-M1158 HydrophobicContact CB-SD 4.02Å; K45-M1158 HydrophobicContact CB-CE 4.36Å; K45-M1158 HydrophobicContact CB-SD 3.7Å; K45-M1158 HydrophobicContact CD-SD 4.32Å; K45-M1158 HydrophobicContact CG-CE 4.35Å; K45-M1158 HydrophobicContact CG-SD 3.82Å; F48-M1158 HydrophobicContact CB-CE 4.12Å; F48-M1158 HydrophobicContact CD1-CE 4.43Å; F48-M1158 HydrophobicContact CG-CE 4.34Å; T959-M1158 CarbonylContact O-C 3.58Å; T959-M1158 WeakPolarHBondContact O-CA 3.33Å; I960-M1158 HydrophobicContact CD1-CE 3.71Å; I960-M1158 HydrophobicContact CG1-CE 3.81Å; I960-M1158 HydrophobicContact CG1-CG 4.36Å; F1141-M1158 CarbonylContact C-O 3.58Å; F1141-M1158 WeakPolarHBondContact CA-O 3.04Å; T1142-M1158 HydrophobicContact CG2-CB 4.27Å; T1142-M1158 PolarHBondContact N-O 2.73Å; T1142-M1158 PolarHBondContact O-N 2.85Å; I1144-M1158 HydrophobicContact CD1-CB 3.98Å; I1144-M1158 HydrophobicContact CG1-CB 3.89Å
1159	G	91.2	Very high	88.2	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.4	177.5	0	0	0	0	0	113	R958 T959 I1140	R958-G1159 WeakPolarHBondContact CA-O 3.14Å; T959-G1159 PolarHBondContact N-O 2.86Å; T959-G1159 PolarHBondContact O-N 3.31Å; I1140-G1159 CarbonylContact O-C 3.56Å; I1140-G1159 VanDerWaalsContact O-CA 3.22Å; I1140-G1159 WeakPolarHBondContact O-CA 3.32Å
1160	I	90.4	Very high	88.5	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.3	165.9	57.1	-178.2	0	0	0	109.8	V38 F39 A43 I955 S957 T1139 I1140	V38-I1160 HydrophobicContact CB-CD1 4.49Å; V38-I1160 HydrophobicContact CG1-CD1 3.63Å; F39-I1160 HydrophobicContact CD1-CG2 4.32Å; F39-I1160 HydrophobicContact CD2-CD1 4.28Å; F39-I1160 HydrophobicContact CE1-CB 4.46Å; F39-I1160 HydrophobicContact CE1-CD1 4.21Å; F39-I1160 HydrophobicContact CE1-CG1 4.01Å; F39-I1160 HydrophobicContact CE1-CG2 3.93Å; F39-I1160 HydrophobicContact CE2-CD1 3.93Å; F39-I1160 HydrophobicContact CE2-CG1 4.18Å; F39-I1160 HydrophobicContact CZ-CD1 3.91Å; F39-I1160 HydrophobicContact CZ-CG1 3.7Å; A43-I1160 HydrophobicContact CB-CG2 3.7Å; I955-I1160 HydrophobicContact CG2-CB 4.19Å; I955-I1160 HydrophobicContact CG2-CG2 4.47Å; S957-I1160 WeakPolarHBondContact O-CA 3.43Å; T1139-I1160 CarbonylContact C-O 3.5Å; T1139-I1160 WeakPolarHBondContact CA-O 3.35Å; T1139-I1160 WeakPolarHBondContact CG2-O 3.46Å; I1140-I1160 HydrophobicContact CB-CG1 4.03Å; I1140-I1160 PolarHBondContact N-O 2.78Å; I1140-I1160 PolarHBondContact O-N 3.04Å
1161	T	89	Confident	88.7	Confident	4 Å²	4	25.7 Å²	25.7	3%	0.025	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.8	177.9	-48	0	0	0	0	109.6	I955 I956 S957 P1137 T1139	I955-T1161 WeakPolarHBondContact CA-O 3.45Å; I956-T1161 HydrophobicContact CD1-CG2 4.3Å; I956-T1161 PolarHBondContact N-O 3.47Å; S957-T1161 PolarHBondContact O-N 3.22Å; S957-T1161 WeakPolarHBondContact OG-CB 3.21Å; S957-T1161 PolarHBondContact OG-OG1 2.83Å; P1137-T1161 HydrophobicContact CB-CG2 3.92Å; T1139-T1161 PolarHBondContact OG1-OG1 2.89Å
1162	L	88.9	Confident	89	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150.7	-179.7	-61.6	175.6	0	0	0	112.3	F35 P954 I955 I956 P1137 V1138 I1140 Y1166 L1167	F35-L1162 HydrophobicContact CE1-CD1 4.07Å; F35-L1162 HydrophobicContact CZ-CD1 4.31Å; P954-L1162 HydrophobicContact CG-CD2 4.46Å; P954-L1162 CarbonylContact O-C 3.58Å; P954-L1162 WeakPolarHBondContact O-CA 3.21Å; I955-L1162 HydrophobicContact CG1-CD2 4.38Å; I956-L1162 WeakPolarHBondContact CD1-O 3.48Å; P1137-L1162 VanDerWaalsContact CB-O 3.23Å; P1137-L1162 WeakPolarHBondContact CB-O 3.41Å; V1138-L1162 PolarHBondContact O-N 3.23Å; I1140-L1162 HydrophobicContact CD1-CD1 3.71Å; I1140-L1162 HydrophobicContact CD1-CG 4.43Å; I1140-L1162 HydrophobicContact CG1-CD1 4.16Å; L1162-Y1166 HydrophobicContact CD1-CD1 4.09Å; L1162-Y1166 HydrophobicContact CD2-CD1 4.49Å; L1162-L1167 HydrophobicContact CD1-CD1 4.3Å; L1162-L1167 HydrophobicContact CD1-CD2 3.96Å; L1162-L1167 HydrophobicContact CD1-CG 4.08Å
1163	E	87.2	Confident	88.9	Confident	70 Å²	70	25.5 Å²	25.5	33%	0.327	13%	0.127	S	C	.	.	P	Polyproline II helix	trans	-52.7	132	166.9	-75.8	169.5	-174.5	0	0	110.3	S953 P954 I956 D1165 Y1166	S953-E1163 VanDerWaalsContact CA-OE1 3.23Å; S953-E1163 WeakPolarHBondContact CA-OE1 3.32Å; S953-E1163 WeakPolarHBondContact CB-OE1 3.41Å; S953-E1163 VanDerWaalsContact OG-CD 3.27Å; S953-E1163 PolarHBondContact OG-OE1 3.36Å; S953-E1163 PolarHBondContact OG-OE2 3.36Å; P954-E1163 WeakPolarHBondContact CA-OE2 3.29Å; P954-E1163 PolarHBondContact O-N 3.36Å; I956-E1163 HydrophobicContact CG1-CG 4.03Å; E1163-D1165 PolarHBondContact O-N 3.03Å; E1163-Y1166 VanDerWaalsContact O-CB 3.24Å; E1163-Y1166 WeakPolarHBondContact O-CB 3.48Å; E1163-Y1166 PolarHBondContact O-N 2.96Å
1164	P	86.5	Confident	88.7	Confident	44 Å²	44	26.2 Å²	26.2	29%	0.286	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-44.2	-166	-27.8	33.8	0	0	0	115.4	A1135 P1137 Y1166	A1135-P1164 HydrophobicContact CB-CB 3.49Å; A1135-P1164 VanDerWaalsContact CB-CB 3.49Å; A1135-P1164 WeakPolarHBondContact O-CB 3.47Å; P1137-P1164 HydrophobicContact CB-CG 4.03Å; P1137-P1164 HydrophobicContact CG-CG 4.48Å; P1164-Y1166 VanDerWaalsContact C-N 3.28Å; P1164-Y1166 PolarHBondContact O-N 2.95Å
1165	D	88.5	Confident	88.3	Confident	51 Å²	51	29.5 Å²	29.5	27%	0.273	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.3	-178.8	-75.8	46.5	0	0	0	113.3	E1163 L1167 S1168 E1169 K1201 Y1204	E1163-D1165 PolarHBondContact O-N 3.03Å; D1165-L1167 PolarHBondContact O-N 2.6Å; D1165-S1168 CarbonylContact O-C 3.59Å; D1165-S1168 WeakPolarHBondContact O-CA 3.45Å; D1165-S1168 WeakPolarHBondContact O-CB 3.46Å; D1165-S1168 PolarHBondContact O-N 3.35Å; D1165-E1169 HydrophobicContact CB-CG 4.4Å; D1165-E1169 PolarHBondContact O-N 3.32Å; D1165-K1201 WeakPolarHBondContact OD2-CE 3.23Å; D1165-K1201 IonicContact OD2-NZ 3.25Å; D1165-K1201 PolarHBondContact OD2-NZ 3.37Å; D1165-Y1204 WeakPolarHBondContact OD2-CE2 3.39Å; D1165-Y1204 PolarHBondContact OD2-OH 2.88Å
1166	Y	89.9	Confident	88	Confident	35 Å²	35	33.8 Å²	33.8	14%	0.137	17%	0.173	C	C	.	.	H	α-helix	trans	-57.7	-47.1	-164.5	175.2	-104.5	0	0	0	113.3	F34 F35 P954 L1162 E1163 P1164 E1169 Q1170	F34-Y1166 WeakPolarHBondContact CE1-OH 3.36Å; F34-Y1166 WeakPolarHBondContact CZ-OH 3.06Å; F35-Y1166 HydrophobicContact CZ-CE1 4.3Å; P954-Y1166 HydrophobicContact CB-CD1 4.12Å; P954-Y1166 HydrophobicContact CB-CD2 3.44Å; P954-Y1166 VanDerWaalsContact CB-CD2 3.44Å; P954-Y1166 HydrophobicContact CB-CE1 4.47Å; P954-Y1166 HydrophobicContact CB-CE2 3.87Å; P954-Y1166 HydrophobicContact CB-CG 3.59Å; P954-Y1166 HydrophobicContact CG-CD1 4.21Å; P954-Y1166 HydrophobicContact CG-CD2 3.84Å; P954-Y1166 HydrophobicContact CG-CE1 4.08Å; P954-Y1166 HydrophobicContact CG-CE2 3.72Å; P954-Y1166 HydrophobicContact CG-CG 4.09Å; L1162-Y1166 HydrophobicContact CD1-CD1 4.09Å; L1162-Y1166 HydrophobicContact CD2-CD1 4.49Å; E1163-Y1166 VanDerWaalsContact O-CB 3.24Å; E1163-Y1166 WeakPolarHBondContact O-CB 3.48Å; E1163-Y1166 PolarHBondContact O-N 2.96Å; P1164-Y1166 VanDerWaalsContact C-N 3.28Å; P1164-Y1166 PolarHBondContact O-N 2.95Å; Y1166-E1169 PolarHBondContact O-N 2.93Å; Y1166-Q1170 HydrophobicContact CD1-CG 4.31Å; Y1166-Q1170 HydrophobicContact CD2-CG 4.35Å; Y1166-Q1170 HydrophobicContact CE1-CG 3.82Å; Y1166-Q1170 HydrophobicContact CE2-CG 3.84Å; Y1166-Q1170 WeakPolarHBondContact O-CG 3.3Å; Y1166-Q1170 PolarHBondContact O-N 3.06Å
1167	L	89.7	Confident	87.9	Confident	12 Å²	12	33.8 Å²	33.8	6%	0.063	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-36.1	179.9	-65.9	-178.6	0	0	0	112.1	F35 F1002 V1138 L1162 D1165 E1169 Q1170 L1171 L1188 I1196 A1197	F35-L1167 HydrophobicContact CZ-CD2 4.07Å; F1002-L1167 HydrophobicContact CD1-CD1 4.12Å; F1002-L1167 HydrophobicContact CE1-CD1 4.29Å; F1002-L1167 HydrophobicContact CE1-CD2 4.44Å; V1138-L1167 HydrophobicContact CB-CD1 3.87Å; V1138-L1167 HydrophobicContact CG1-CD1 3.83Å; V1138-L1167 HydrophobicContact CG2-CD1 3.99Å; L1162-L1167 HydrophobicContact CD1-CD1 4.3Å; L1162-L1167 HydrophobicContact CD1-CD2 3.96Å; L1162-L1167 HydrophobicContact CD1-CG 4.08Å; D1165-L1167 PolarHBondContact O-N 2.6Å; L1167-E1169 VanDerWaalsContact C-N 3.32Å; L1167-Q1170 PolarHBondContact O-N 3.3Å; L1167-L1171 WeakPolarHBondContact O-CB 3.37Å; L1167-L1171 PolarHBondContact O-N 3.46Å; L1167-L1188 HydrophobicContact CB-CD1 4.49Å; L1167-I1196 HydrophobicContact CD1-CG2 4.26Å; L1167-A1197 HydrophobicContact CB-CB 3.89Å
1168	S	90.6	Very high	87.6	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-33.9	174.4	-58.7	0	0	0	0	112.1	D1165 N1172 V1198 Y1204	D1165-S1168 CarbonylContact O-C 3.59Å; D1165-S1168 WeakPolarHBondContact O-CA 3.45Å; D1165-S1168 WeakPolarHBondContact O-CB 3.46Å; D1165-S1168 PolarHBondContact O-N 3.35Å; S1168-N1172 PolarHBondContact O-N 2.91Å; S1168-N1172 PolarHBondContact O-ND2 2.92Å; S1168-V1198 VanDerWaalsContact CB-O 3.25Å; S1168-V1198 WeakPolarHBondContact CB-O 3.45Å; S1168-V1198 PolarHBondContact OG-O 3.5Å; S1168-Y1204 WeakPolarHBondContact CB-OH 3.33Å
1169	E	87.9	Confident	86.8	Confident	86 Å²	86	38 Å²	38	40%	0.402	20%	0.2	S	C	.	.	H	α-helix	trans	-75.7	-39.4	173.8	-69.8	-170	169.1	0	0	112.5	D1165 Y1166 L1167 L1171 N1172 M1173 K1201	D1165-E1169 HydrophobicContact CB-CG 4.4Å; D1165-E1169 PolarHBondContact O-N 3.32Å; Y1166-E1169 PolarHBondContact O-N 2.93Å; L1167-E1169 VanDerWaalsContact C-N 3.32Å; E1169-L1171 VanDerWaalsContact C-N 3.27Å; E1169-L1171 PolarHBondContact O-N 2.88Å; E1169-N1172 PolarHBondContact O-N 2.8Å; E1169-M1173 PolarHBondContact O-N 2.91Å; E1169-K1201 IonicContact OE1-NZ 2.91Å; E1169-K1201 PolarHBondContact OE1-NZ 2.96Å
1170	Q	86.1	Confident	86	Confident	68 Å²	68	44.1 Å²	44.1	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-37.7	170.5	-66	-48.4	-83.5	0	0	111.7	Y1166 L1167 N1172 M1173	Y1166-Q1170 HydrophobicContact CD1-CG 4.31Å; Y1166-Q1170 HydrophobicContact CD2-CG 4.35Å; Y1166-Q1170 HydrophobicContact CE1-CG 3.82Å; Y1166-Q1170 HydrophobicContact CE2-CG 3.84Å; Y1166-Q1170 WeakPolarHBondContact O-CG 3.3Å; Y1166-Q1170 PolarHBondContact O-N 3.06Å; L1167-Q1170 PolarHBondContact O-N 3.3Å; Q1170-N1172 VanDerWaalsContact C-N 3.32Å; Q1170-N1172 PolarHBondContact O-N 3.31Å; Q1170-M1173 WeakPolarHBondContact O-CB 3.44Å; Q1170-M1173 PolarHBondContact O-N 3.36Å; Q1170-M1173 VanDerWaalsContact O-N 3.14Å
1171	L	87.4	Confident	85.1	Confident	4 Å²	4	51 Å²	51	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-36.3	177.2	-170.4	59.8	0	0	0	112.1	L1167 E1169 M1173 I1174 C1177 C1186 L1188 N1199 L1374	L1167-L1171 WeakPolarHBondContact O-CB 3.37Å; L1167-L1171 PolarHBondContact O-N 3.46Å; E1169-L1171 VanDerWaalsContact C-N 3.27Å; E1169-L1171 PolarHBondContact O-N 2.88Å; L1171-M1173 VanDerWaalsContact C-N 3.26Å; L1171-M1173 PolarHBondContact O-N 2.88Å; L1171-I1174 HydrophobicContact CD1-CD1 4.22Å; L1171-I1174 PolarHBondContact O-N 3.01Å; L1171-C1177 HydrophobicContact CD1-CB 4.47Å; L1171-C1177 HydrophobicContact CG-CB 4.44Å; L1171-C1177 VanDerWaalsContact O-CB 3.27Å; L1171-C1177 WeakPolarHBondContact O-CB 3.34Å; L1171-C1186 HydrophobicContact CD1-CB 4.13Å; L1171-C1186 HydrophobicContact CD2-CB 3.98Å; L1171-C1186 WeakPolarHBondContact CD2-O 3.31Å; L1171-C1186 HydrophobicContact CG-CB 4.06Å; L1171-L1188 HydrophobicContact CD1-CD2 4.24Å; L1171-L1188 HydrophobicContact CD1-CG 4.43Å; L1171-L1188 HydrophobicContact CD2-CG 4.39Å; L1171-N1199 HydrophobicContact CD2-CB 4.14Å; L1171-N1199 HydrophobicContact CG-CB 4.19Å; L1171-L1374 HydrophobicContact CD1-CD1 3.53Å
1172	N	86.9	Confident	84.1	Confident	38 Å²	38	51.7 Å²	51.7	20%	0.203	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-16.3	174.5	-87.8	-81.2	0	0	0	114.8	S1168 E1169 Q1170 I1174 S1178 V1179 N1199	S1168-N1172 PolarHBondContact O-N 2.91Å; S1168-N1172 PolarHBondContact O-ND2 2.92Å; E1169-N1172 PolarHBondContact O-N 2.8Å; Q1170-N1172 VanDerWaalsContact C-N 3.32Å; Q1170-N1172 PolarHBondContact O-N 3.31Å; N1172-I1174 VanDerWaalsContact C-N 3.3Å; N1172-S1178 WeakPolarHBondContact O-CB 3.07Å; N1172-S1178 PolarHBondContact O-OG 3.41Å; N1172-V1179 WeakPolarHBondContact OD1-CG2 3.47Å; N1172-V1179 PolarHBondContact OD1-N 3.16Å; N1172-N1199 PolarHBondContact ND2-O 3.47Å
1173	M	84.3	Confident	83.8	Confident	97 Å²	97	58 Å²	58	48%	0.478	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.2	175.5	-60.7	-176.1	-173.4	0	0	112.7	E1169 Q1170 L1171	E1169-M1173 PolarHBondContact O-N 2.91Å; Q1170-M1173 WeakPolarHBondContact O-CB 3.44Å; Q1170-M1173 PolarHBondContact O-N 3.36Å; Q1170-M1173 VanDerWaalsContact O-N 3.14Å; L1171-M1173 VanDerWaalsContact C-N 3.26Å; L1171-M1173 PolarHBondContact O-N 2.88Å
1174	I	82.9	Confident	83.9	Confident	22 Å²	22	57.7 Å²	57.7	11%	0.113	31%	0.305	C	S	.	.	S	Bend	trans	-77.8	123.5	171.7	-54.2	-178.3	0	0	0	108.1	L28 L1171 N1172 E1176 C1177 S1178 L1374	L28-I1174 HydrophobicContact CB-CD1 4.31Å; L28-I1174 HydrophobicContact CD1-CD1 4.46Å; L28-I1174 HydrophobicContact CD2-CD1 4.04Å; L1171-I1174 HydrophobicContact CD1-CD1 4.22Å; L1171-I1174 PolarHBondContact O-N 3.01Å; N1172-I1174 VanDerWaalsContact C-N 3.3Å; I1174-E1176 HydrophobicContact CG2-CB 4.46Å; I1174-E1176 PolarHBondContact O-N 2.83Å; I1174-E1176 VanDerWaalsContact O-N 3.16Å; I1174-C1177 HydrophobicContact CB-CB 4.19Å; I1174-C1177 CarbonylContact O-C 3.51Å; I1174-C1177 WeakPolarHBondContact O-CA 3.46Å; I1174-C1177 PolarHBondContact O-N 3.4Å; I1174-S1178 PolarHBondContact O-N 3.45Å; I1174-S1178 VanDerWaalsContact O-N 3.09Å; I1174-L1374 HydrophobicContact CD1-CD2 4.23Å
1175	P	82.4	Confident	84.2	Confident	82 Å²	82	56.3 Å²	56.3	53%	0.532	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-58.8	-30.8	-175.6	-27.9	35.9	0	0	0	114.9	C1177	P1175-C1177 PolarHBondContact O-N 3.2Å
1176	E	84	Confident	84.5	Confident	90 Å²	90	53.9 Å²	53.9	42%	0.421	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-74.2	-9.2	175.6	-62.6	-172.3	-145.6	0	0	114.2	I1174 S1182 R1347 I1376	I1174-E1176 HydrophobicContact CG2-CB 4.46Å; I1174-E1176 PolarHBondContact O-N 2.83Å; I1174-E1176 VanDerWaalsContact O-N 3.16Å; E1176-S1182 VanDerWaalsContact C-OG 3.26Å; E1176-S1182 PolarHBondContact O-OG 3.27Å; E1176-R1347 IonicContact OE1-NH1 3.23Å; E1176-R1347 PolarHBondContact OE1-NH1 3.04Å; E1176-R1347 IonicContact OE2-CZ 3.7Å; E1176-R1347 VanDerWaalsContact OE2-CZ 3.23Å; E1176-R1347 IonicContact OE2-NH1 2.68Å; E1176-R1347 PolarHBondContact OE2-NH1 3.17Å; E1176-R1347 IonicContact OE2-NH2 2.74Å; E1176-R1347 PolarHBondContact OE2-NH2 3.38Å; E1176-I1376 HydrophobicContact CB-CD1 3.98Å
1177	C	87.4	Confident	84.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-125.2	3.8	-176.9	-67.3	0	0	0	0	113.6	L1171 I1174 P1175 V1179 S1182 C1186 N1199	L1171-C1177 HydrophobicContact CD1-CB 4.47Å; L1171-C1177 HydrophobicContact CG-CB 4.44Å; L1171-C1177 VanDerWaalsContact O-CB 3.27Å; L1171-C1177 WeakPolarHBondContact O-CB 3.34Å; I1174-C1177 HydrophobicContact CB-CB 4.19Å; I1174-C1177 CarbonylContact O-C 3.51Å; I1174-C1177 WeakPolarHBondContact O-CA 3.46Å; I1174-C1177 PolarHBondContact O-N 3.4Å; P1175-C1177 PolarHBondContact O-N 3.2Å; C1177-V1179 PolarHBondContact O-N 3.47Å; C1177-S1182 PolarHBondContact N-OG 3.37Å; C1177-C1186 WeakPolarHBondContact CA-SG 3.38Å; C1177-C1186 HydrophobicContact CB-CB 3.65Å; C1177-C1186 WeakPolarHBondContact CB-SG 3.35Å; C1177-C1186 WeakPolarHBondContact SG-CB 3.46Å; C1177-C1186 CovalentContact SG-SG 2.03Å; C1177-C1186 PolarHBondContact SG-SG 2.9Å; C1177-N1199 PolarHBondContact O-ND2 2.71Å
1178	S	85.3	Confident	85	Confident	17 Å²	17	52.2 Å²	52.2	12%	0.119	28%	0.276	C	S	.	.			trans	-77.7	114.5	-178.7	-161.9	0	0	0	0	109.9	N1172 I1174 T1180 Q1181 S1182	N1172-S1178 WeakPolarHBondContact O-CB 3.07Å; N1172-S1178 PolarHBondContact O-OG 3.41Å; I1174-S1178 PolarHBondContact O-N 3.45Å; I1174-S1178 VanDerWaalsContact O-N 3.09Å; S1178-T1180 PolarHBondContact O-N 2.8Å; S1178-Q1181 PolarHBondContact O-N 2.89Å; S1178-S1182 PolarHBondContact N-OG 2.9Å; S1178-S1182 VanDerWaalsContact N-OG 3.1Å; S1178-S1182 PolarHBondContact O-N 2.9Å; S1178-S1182 PolarHBondContact O-OG 2.98Å
1179	V	77	Confident	85.2	Confident	73 Å²	73	52.2 Å²	52.2	44%	0.442	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-21	-174.4	173.5	0	0	0	0	113.5	N1172 C1177 N1199	N1172-V1179 WeakPolarHBondContact OD1-CG2 3.47Å; N1172-V1179 PolarHBondContact OD1-N 3.16Å; C1177-V1179 PolarHBondContact O-N 3.47Å; V1179-N1199 HydrophobicContact CG2-CB 4.3Å; V1179-N1199 WeakPolarHBondContact CG2-O 3.44Å
1180	T	74.5	Confident	85.4	Confident	130 Å²	130	48.1 Å²	48.1	80%	0.798	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-13.2	177.6	60.6	0	0	0	0	115.1	S1178	S1178-T1180 PolarHBondContact O-N 2.8Å
1181	Q	70.6	Confident	85.6	Confident	145 Å²	145	45.7 Å²	45.7	68%	0.678	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-35.3	-175.7	-54.2	-175.4	4.2	0	0	112.4	S1178	S1178-Q1181 PolarHBondContact O-N 2.89Å
1182	S	68.7	Low	85.9	Confident	19 Å²	19	45.6 Å²	45.6	13%	0.133	25%	0.245	C	C	.	.			trans	-120.8	121	179.6	56.3	0	0	0	0	109.5	E1176 C1177 S1178 K1184	E1176-S1182 VanDerWaalsContact C-OG 3.26Å; E1176-S1182 PolarHBondContact O-OG 3.27Å; C1177-S1182 PolarHBondContact N-OG 3.37Å; S1178-S1182 PolarHBondContact N-OG 2.9Å; S1178-S1182 VanDerWaalsContact N-OG 3.1Å; S1178-S1182 PolarHBondContact O-N 2.9Å; S1178-S1182 PolarHBondContact O-OG 2.98Å; S1182-K1184 PolarHBondContact O-N 2.9Å
1183	N	81.9	Confident	86.2	Confident	133 Å²	133	43.8 Å²	43.8	71%	0.711	24%	0.236	S	C	*	.			trans	-76.9	51	169.4	-168.5	55.9	0	0	0	110.9	P1379	N1183-P1379 VanDerWaalsContact O-CD 3.27Å; N1183-P1379 WeakPolarHBondContact O-CD 3.29Å
1184	K	89.2	Confident	86.7	Confident	64 Å²	64	39.1 Å²	39.1	28%	0.278	21%	0.213	S	C	.	.			trans	-119.7	143.3	-177.5	-70.4	-67.2	-168.2	-177.4	0	109.2	S1182 N1199 I1376 T1377 D1378	S1182-K1184 PolarHBondContact O-N 2.9Å; K1184-N1199 PolarHBondContact O-ND2 2.81Å; K1184-I1376 HydrophobicContact CB-CG2 4.29Å; K1184-I1376 HydrophobicContact CG-CG2 4.49Å; K1184-T1377 WeakPolarHBondContact CA-O 3.5Å; K1184-T1377 WeakPolarHBondContact CD-O 3.46Å; K1184-D1378 WeakPolarHBondContact CD-OD1 3.44Å; K1184-D1378 WeakPolarHBondContact CE-OD1 3.36Å; K1184-D1378 IonicContact NZ-OD1 3.01Å; K1184-D1378 PolarHBondContact NZ-OD1 3.38Å; K1184-D1378 IonicContact NZ-OD2 2.9Å; K1184-D1378 PolarHBondContact NZ-OD2 2.88Å
1185	L	92.4	Very high	87.3	Confident	16 Å²	16	38.1 Å²	38.1	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.7	175.8	178.7	55	0	0	0	108	Y1187 V1198 L1203 T1377	L1185-Y1187 HydrophobicContact CD1-CE1 4.49Å; L1185-Y1187 HydrophobicContact CD1-CE2 4.42Å; L1185-Y1187 HydrophobicContact CD2-CE2 3.92Å; L1185-Y1187 WeakPolarHBondContact CD2-OH 3.16Å; L1185-Y1187 HydrophobicContact CG-CD2 4.48Å; L1185-Y1187 HydrophobicContact CG-CE2 3.8Å; L1185-V1198 HydrophobicContact CD1-CG2 3.77Å; L1185-L1203 HydrophobicContact CD1-CD1 3.6Å; L1185-L1203 HydrophobicContact CD2-CD1 4.38Å; L1185-T1377 HydrophobicContact CB-CG2 4.12Å; L1185-T1377 HydrophobicContact CG-CG2 4.42Å; L1185-T1377 PolarHBondContact N-O 3.47Å; L1185-T1377 WeakPolarHBondContact O-CG2 3.38Å; L1185-T1377 PolarHBondContact O-N 3.02Å
1186	C	94.7	Very high	87.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.9	-179.2	-67.2	0	0	0	0	111.3	L1171 C1177 V1198 N1199 L1375	L1171-C1186 HydrophobicContact CD1-CB 4.13Å; L1171-C1186 HydrophobicContact CD2-CB 3.98Å; L1171-C1186 WeakPolarHBondContact CD2-O 3.31Å; L1171-C1186 HydrophobicContact CG-CB 4.06Å; C1177-C1186 WeakPolarHBondContact CA-SG 3.38Å; C1177-C1186 HydrophobicContact CB-CB 3.65Å; C1177-C1186 WeakPolarHBondContact CB-SG 3.35Å; C1177-C1186 WeakPolarHBondContact SG-CB 3.46Å; C1177-C1186 CovalentContact SG-SG 2.03Å; C1177-C1186 PolarHBondContact SG-SG 2.9Å; C1186-V1198 WeakPolarHBondContact O-CA 3.39Å; C1186-N1199 HydrophobicContact CB-CB 4.21Å; C1186-N1199 PolarHBondContact N-OD1 3.14Å; C1186-N1199 PolarHBondContact O-N 3.48Å; C1186-N1199 VanDerWaalsContact O-N 3.08Å; C1186-N1199 PolarHBondContact O-OD1 3.13Å; C1186-L1375 VanDerWaalsContact CA-O 3.31Å; C1186-L1375 WeakPolarHBondContact CA-O 3.23Å
1187	Y	95.7	Very high	88.3	Confident	3 Å²	3	30 Å²	30	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.8	176.8	-63	-73.3	0	0	0	111	L1185 I1195 A1197 V1198 Q1206 L1211 L1375	L1185-Y1187 HydrophobicContact CD1-CE1 4.49Å; L1185-Y1187 HydrophobicContact CD1-CE2 4.42Å; L1185-Y1187 HydrophobicContact CD2-CE2 3.92Å; L1185-Y1187 WeakPolarHBondContact CD2-OH 3.16Å; L1185-Y1187 HydrophobicContact CG-CD2 4.48Å; L1185-Y1187 HydrophobicContact CG-CE2 3.8Å; Y1187-I1195 HydrophobicContact CD1-CD1 4.15Å; Y1187-I1195 HydrophobicContact CD1-CG1 4.16Å; Y1187-I1195 HydrophobicContact CD1-CG2 3.79Å; Y1187-I1195 HydrophobicContact CE1-CD1 3.87Å; Y1187-I1195 HydrophobicContact CE1-CG1 4.4Å; Y1187-I1195 HydrophobicContact CE1-CG2 4.3Å; Y1187-A1197 WeakPolarHBondContact CA-O 3.3Å; Y1187-V1198 HydrophobicContact CD1-CB 3.85Å; Y1187-V1198 HydrophobicContact CD1-CG2 3.71Å; Y1187-V1198 HydrophobicContact CE1-CB 3.99Å; Y1187-V1198 HydrophobicContact CE1-CG2 3.5Å; Y1187-Q1206 PolarHBondContact OH-OE1 2.78Å; Y1187-L1211 HydrophobicContact CD2-CD1 4.49Å; Y1187-L1211 HydrophobicContact CE2-CD1 4.23Å; Y1187-L1375 HydrophobicContact CD2-CD2 4.44Å; Y1187-L1375 PolarHBondContact N-O 3.2Å; Y1187-L1375 PolarHBondContact O-N 3.03Å
1188	L	94.3	Very high	88.7	Confident	9 Å²	9	30 Å²	30	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.2	154.3	-61.6	-178.5	0	0	0	107.7	L28 L1167 L1171 I1196 A1197 I1367 L1372 L1373 L1374	L28-L1188 HydrophobicContact CD2-CD2 4.24Å; L1167-L1188 HydrophobicContact CB-CD1 4.49Å; L1171-L1188 HydrophobicContact CD1-CD2 4.24Å; L1171-L1188 HydrophobicContact CD1-CG 4.43Å; L1171-L1188 HydrophobicContact CD2-CG 4.39Å; L1188-I1196 HydrophobicContact CB-CB 4.36Å; L1188-I1196 PolarHBondContact O-N 2.85Å; L1188-A1197 HydrophobicContact CB-CB 4.18Å; L1188-A1197 HydrophobicContact CD1-CB 4.05Å; L1188-A1197 HydrophobicContact CG-CB 4.23Å; L1188-A1197 PolarHBondContact N-O 2.93Å; L1188-A1197 PolarHBondContact O-N 2.83Å; L1188-I1367 HydrophobicContact CD2-CD1 3.85Å; L1188-L1372 HydrophobicContact CD1-CD1 4.38Å; L1188-L1373 WeakPolarHBondContact CA-O 3.44Å; L1188-L1374 HydrophobicContact CD2-CB 4.31Å; L1188-L1374 HydrophobicContact CD2-CD1 3.98Å
1189	L	95.1	Very high	89	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.1	178.4	-55.6	176.4	0	0	0	110.1	N1194 I1195 L1211 L1222 Y1228 L1372 L1373 L1375	L1189-N1194 WeakPolarHBondContact CA-O 3.03Å; L1189-I1195 HydrophobicContact CD2-CB 4.49Å; L1189-I1195 HydrophobicContact CD2-CG1 3.77Å; L1189-L1211 HydrophobicContact CD1-CD2 3.82Å; L1189-L1211 HydrophobicContact CD2-CB 4.41Å; L1189-L1211 HydrophobicContact CD2-CD2 4.37Å; L1189-L1222 HydrophobicContact CD1-CD1 4.49Å; L1189-Y1228 WeakPolarHBondContact CB-OH 3.44Å; L1189-Y1228 HydrophobicContact CD1-CE2 4.31Å; L1189-L1372 CarbonylContact O-C 3.59Å; L1189-L1372 VanDerWaalsContact O-CA 3.26Å; L1189-L1372 WeakPolarHBondContact O-CA 3.33Å; L1189-L1373 PolarHBondContact N-O 2.86Å; L1189-L1373 PolarHBondContact O-N 2.86Å; L1189-L1375 HydrophobicContact CD1-CB 4.21Å; L1189-L1375 HydrophobicContact CD1-CD2 3.75Å
1190	E	92.9	Very high	89.7	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.149	C	C	.	.			trans	-86.6	-178.4	167.8	75.2	174.9	144.3	0	0	113.4	H571 R993 A1192 A1193 N1194 I1196 Y1228 N1371	H571-E1190 IonicContact CE1-OE1 2.68Å; H571-E1190 VanDerWaalsContact NE2-CD 3.32Å; H571-E1190 IonicContact NE2-OE1 2.74Å; H571-E1190 PolarHBondContact NE2-OE1 3.06Å; H571-E1190 IonicContact NE2-OE2 3.83Å; H571-E1190 PolarHBondContact NE2-OE2 2.99Å; R993-E1190 IonicContact CZ-OE2 2.67Å; R993-E1190 VanDerWaalsContact CZ-OE2 3.25Å; R993-E1190 IonicContact NH1-OE2 3.18Å; R993-E1190 PolarHBondContact NH1-OE2 2.87Å; R993-E1190 IonicContact NH2-OE2 2.72Å; R993-E1190 PolarHBondContact NH2-OE2 2.85Å; E1190-A1192 PolarHBondContact O-N 2.71Å; E1190-A1193 PolarHBondContact O-N 2.59Å; E1190-N1194 HydrophobicContact CG-CB 4.12Å; E1190-N1194 PolarHBondContact N-O 3.42Å; E1190-N1194 PolarHBondContact OE1-ND2 3.47Å; E1190-I1196 HydrophobicContact CB-CD1 4.06Å; E1190-I1196 HydrophobicContact CB-CG1 4.01Å; E1190-I1196 HydrophobicContact CG-CD1 4.25Å; E1190-Y1228 WeakPolarHBondContact O-CE1 3.33Å; E1190-Y1228 PolarHBondContact O-OH 3.28Å; E1190-N1371 CarbonylContact C-O 3.49Å; E1190-N1371 WeakPolarHBondContact CA-O 3.32Å
1191	D	91	Very high	90.4	Very high	16 Å²	16	26.1 Å²	26.1	9%	0.086	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.3	-179.2	53	24.8	0	0	0	114.9	H571 R993 Y1228 Y1326 S1327 N1371	H571-D1191 IonicContact CD2-OD1 2.66Å; H571-D1191 PolarHBondContact CD2-OD1 2.82Å; H571-D1191 VanDerWaalsContact CD2-OD1 3.23Å; H571-D1191 IonicContact NE2-OD1 3.42Å; R993-D1191 IonicContact CZ-OD1 2.75Å; R993-D1191 IonicContact CZ-OD2 2.7Å; R993-D1191 IonicContact NE-OD2 2.74Å; R993-D1191 IonicContact NH2-OD1 3.23Å; R993-D1191 PolarHBondContact NH2-OD1 2.68Å; R993-D1191 IonicContact NH2-OD2 3.2Å; R993-D1191 PolarHBondContact NH2-OD2 2.71Å; D1191-Y1228 WeakPolarHBondContact O-CE1 3.37Å; D1191-Y1326 CarbonylContact O-C 3.58Å; D1191-Y1326 VanDerWaalsContact O-CA 3.25Å; D1191-Y1326 WeakPolarHBondContact O-CA 3.46Å; D1191-S1327 PolarHBondContact O-N 2.04Å; D1191-N1371 HydrophobicContact CB-CB 4.38Å; D1191-N1371 PolarHBondContact N-O 3.04Å; D1191-N1371 WeakPolarHBondContact OD2-CB 3.45Å
1192	A	92.5	Very high	91.3	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.017	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	18.5	168.8	0	0	0	0	0	114.5	V570 H571 E1190 N1194 Y1325	V570-A1192 HydrophobicContact CG1-CB 3.77Å; H571-A1192 WeakPolarHBondContact CD2-CB 3.43Å; E1190-A1192 PolarHBondContact O-N 2.71Å; A1192-N1194 VanDerWaalsContact C-N 3.26Å; A1192-N1194 PolarHBondContact O-N 2.93Å; A1192-Y1325 WeakPolarHBondContact CA-O 3.49Å
1193	A	94.2	Very high	92.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.			trans	59.2	26	177.7	0	0	0	0	0	115.9	E1190 F1210 L1211 M1219 Y1228	E1190-A1193 PolarHBondContact O-N 2.59Å; A1193-F1210 HydrophobicContact CB-CD2 4.31Å; A1193-F1210 HydrophobicContact CB-CE2 4.03Å; A1193-L1211 WeakPolarHBondContact O-CB 3.45Å; A1193-L1211 PolarHBondContact O-N 3.18Å; A1193-M1219 HydrophobicContact CB-CE 3.53Å; A1193-M1219 HydrophobicContact CB-SD 3.71Å; A1193-Y1228 HydrophobicContact CB-CD1 4.2Å; A1193-Y1228 HydrophobicContact CB-CD2 4.43Å; A1193-Y1228 HydrophobicContact CB-CE1 3.73Å; A1193-Y1228 HydrophobicContact CB-CE2 3.98Å
1194	N	93.9	Very high	92.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-78.2	144.4	164.6	-50.2	-59.6	0	0	0	110.2	L1006 L1189 E1190 A1192 I1196 Q1209 R1395	L1006-N1194 HydrophobicContact CD2-CB 3.89Å; L1189-N1194 WeakPolarHBondContact CA-O 3.03Å; E1190-N1194 HydrophobicContact CG-CB 4.12Å; E1190-N1194 PolarHBondContact N-O 3.42Å; E1190-N1194 PolarHBondContact OE1-ND2 3.47Å; A1192-N1194 VanDerWaalsContact C-N 3.26Å; A1192-N1194 PolarHBondContact O-N 2.93Å; N1194-I1196 PolarHBondContact O-N 2.87Å; N1194-Q1209 CarbonylContact C-O 3.57Å; N1194-Q1209 VanDerWaalsContact CA-O 3.31Å; N1194-Q1209 WeakPolarHBondContact CA-O 3.25Å; N1194-R1395 PolarHBondContact OD1-NH1 2.9Å; N1194-R1395 VanDerWaalsContact OD1-NH1 3.12Å
1195	I	95.3	Very high	92.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	117.6	-179	-62.4	164.2	0	0	0	109.9	Y1187 L1189 Q1206 I1207 G1208 Q1209 L1211 I1214	Y1187-I1195 HydrophobicContact CD1-CD1 4.15Å; Y1187-I1195 HydrophobicContact CD1-CG1 4.16Å; Y1187-I1195 HydrophobicContact CD1-CG2 3.79Å; Y1187-I1195 HydrophobicContact CE1-CD1 3.87Å; Y1187-I1195 HydrophobicContact CE1-CG1 4.4Å; Y1187-I1195 HydrophobicContact CE1-CG2 4.3Å; L1189-I1195 HydrophobicContact CD2-CB 4.49Å; L1189-I1195 HydrophobicContact CD2-CG1 3.77Å; I1195-Q1206 HydrophobicContact CD1-CB 4.03Å; I1195-I1207 HydrophobicContact CG2-CG1 4.46Å; I1195-G1208 PolarHBondContact O-N 3.42Å; I1195-Q1209 PolarHBondContact N-O 2.99Å; I1195-L1211 HydrophobicContact CD1-CD1 4.25Å; I1195-I1214 HydrophobicContact CD1-CG1 4.04Å
1196	I	94.1	Very high	92.9	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-33.2	179.3	-55.7	-55.8	0	0	0	111.7	V1004 V1138 L1167 L1188 E1190 N1194 L1372	V1004-I1196 HydrophobicContact CB-CD1 4.13Å; V1004-I1196 HydrophobicContact CG1-CD1 3.56Å; V1138-I1196 HydrophobicContact CG1-CG2 3.83Å; V1138-I1196 HydrophobicContact CG2-CG2 3.84Å; L1167-I1196 HydrophobicContact CD1-CG2 4.26Å; L1188-I1196 HydrophobicContact CB-CB 4.36Å; L1188-I1196 PolarHBondContact O-N 2.85Å; E1190-I1196 HydrophobicContact CB-CD1 4.06Å; E1190-I1196 HydrophobicContact CB-CG1 4.01Å; E1190-I1196 HydrophobicContact CG-CD1 4.25Å; N1194-I1196 PolarHBondContact O-N 2.87Å; I1196-L1372 HydrophobicContact CB-CD2 4.17Å; I1196-L1372 HydrophobicContact CG1-CD2 3.78Å; I1196-L1372 HydrophobicContact CG2-CD2 4.26Å
1197	A	94.2	Very high	92.8	Very high	1 Å²	1	19 Å²	19	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	157.1	174.7	0	0	0	0	0	111.1	L1167 Y1187 L1188	L1167-A1197 HydrophobicContact CB-CB 3.89Å; Y1187-A1197 WeakPolarHBondContact CA-O 3.3Å; L1188-A1197 HydrophobicContact CB-CB 4.18Å; L1188-A1197 HydrophobicContact CD1-CB 4.05Å; L1188-A1197 HydrophobicContact CG-CB 4.23Å; L1188-A1197 PolarHBondContact N-O 2.93Å; L1188-A1197 PolarHBondContact O-N 2.83Å
1198	V	94.6	Very high	92.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.7	177.8	62	0	0	0	0	110.3	S1168 L1185 C1186 Y1187 N1200 L1203 Y1204 I1207	S1168-V1198 VanDerWaalsContact CB-O 3.25Å; S1168-V1198 WeakPolarHBondContact CB-O 3.45Å; S1168-V1198 PolarHBondContact OG-O 3.5Å; L1185-V1198 HydrophobicContact CD1-CG2 3.77Å; C1186-V1198 WeakPolarHBondContact O-CA 3.39Å; Y1187-V1198 HydrophobicContact CD1-CB 3.85Å; Y1187-V1198 HydrophobicContact CD1-CG2 3.71Å; Y1187-V1198 HydrophobicContact CE1-CB 3.99Å; Y1187-V1198 HydrophobicContact CE1-CG2 3.5Å; V1198-N1200 VanDerWaalsContact C-N 3.3Å; V1198-N1200 PolarHBondContact O-N 2.73Å; V1198-L1203 HydrophobicContact CG1-CB 4.08Å; V1198-L1203 HydrophobicContact CG2-CB 4.13Å; V1198-L1203 HydrophobicContact CG2-CD1 4.24Å; V1198-Y1204 HydrophobicContact CG1-CD1 3.9Å; V1198-Y1204 HydrophobicContact CG1-CE1 4.38Å; V1198-I1207 HydrophobicContact CG1-CD1 4.3Å; V1198-I1207 HydrophobicContact CG1-CG1 4.16Å
1199	N	92.7	Very high	92.5	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	9%	0.093	C	C	.	.	S	Bend	trans	-71.3	-20.9	-175.6	67	-28.8	0	0	0	114	L1171 N1172 C1177 V1179 K1184 C1186	L1171-N1199 HydrophobicContact CD2-CB 4.14Å; L1171-N1199 HydrophobicContact CG-CB 4.19Å; N1172-N1199 PolarHBondContact ND2-O 3.47Å; C1177-N1199 PolarHBondContact O-ND2 2.71Å; V1179-N1199 HydrophobicContact CG2-CB 4.3Å; V1179-N1199 WeakPolarHBondContact CG2-O 3.44Å; K1184-N1199 PolarHBondContact O-ND2 2.81Å; C1186-N1199 HydrophobicContact CB-CB 4.21Å; C1186-N1199 PolarHBondContact N-OD1 3.14Å; C1186-N1199 PolarHBondContact O-N 3.48Å; C1186-N1199 VanDerWaalsContact O-N 3.08Å; C1186-N1199 PolarHBondContact O-OD1 3.13Å
1200	N	90.9	Very high	92.4	Very high	47 Å²	47	19.2 Å²	19.2	25%	0.251	9%	0.094	S	C	.	.			trans	-100	120.1	-179.4	-173.2	-3.6	0	0	0	112	V1198 L1202 L1203	V1198-N1200 VanDerWaalsContact C-N 3.3Å; V1198-N1200 PolarHBondContact O-N 2.73Å; N1200-L1202 PolarHBondContact O-N 3.32Å; N1200-L1202 WeakPolarHBondContact OD1-CB 3.26Å; N1200-L1202 PolarHBondContact OD1-N 2.98Å; N1200-L1203 HydrophobicContact CB-CD1 4.08Å; N1200-L1203 HydrophobicContact CB-CG 4.12Å; N1200-L1203 PolarHBondContact O-N 2.82Å
1201	K	90.2	Very high	92.4	Very high	87 Å²	87	19.2 Å²	19.2	38%	0.378	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-63.9	-18.3	178.1	-53.2	-146.9	176.8	-166.8	0	113.9	N1133 D1165 E1169 L1203 Y1204	N1133-K1201 PolarHBondContact ND2-O 3.46Å; D1165-K1201 WeakPolarHBondContact OD2-CE 3.23Å; D1165-K1201 IonicContact OD2-NZ 3.25Å; D1165-K1201 PolarHBondContact OD2-NZ 3.37Å; E1169-K1201 IonicContact OE1-NZ 2.91Å; E1169-K1201 PolarHBondContact OE1-NZ 2.96Å; K1201-L1203 PolarHBondContact O-N 2.88Å; K1201-Y1204 HydrophobicContact CB-CD2 4.39Å; K1201-Y1204 HydrophobicContact CB-CE1 4.26Å; K1201-Y1204 HydrophobicContact CB-CE2 3.97Å; K1201-Y1204 HydrophobicContact CD-CE2 3.91Å; K1201-Y1204 WeakPolarHBondContact CD-OH 3.48Å; K1201-Y1204 WeakPolarHBondContact CE-OH 3.41Å; K1201-Y1204 HydrophobicContact CG-CE1 4.16Å; K1201-Y1204 HydrophobicContact CG-CE2 3.99Å; K1201-Y1204 WeakPolarHBondContact CG-OH 3.31Å
1202	L	89.3	Confident	92.3	Very high	130 Å²	130	18.4 Å²	18.4	68%	0.681	9%	0.089	S	C	*	.	G	3₁₀ helix	trans	-73.3	-8.7	172.5	-59.3	176.5	0	0	0	113.5	N1200 Y1205	N1200-L1202 PolarHBondContact O-N 3.32Å; N1200-L1202 WeakPolarHBondContact OD1-CB 3.26Å; N1200-L1202 PolarHBondContact OD1-N 2.98Å; L1202-Y1205 WeakPolarHBondContact O-CE1 3.24Å
1203	L	91	Very high	92.1	Very high	29 Å²	29	20.3 Å²	20.3	15%	0.152	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-115.5	14.7	-176.2	-56.8	-178.1	0	0	0	112.8	L1185 V1198 N1200 K1201 Y1205 Q1206	L1185-L1203 HydrophobicContact CD1-CD1 3.6Å; L1185-L1203 HydrophobicContact CD2-CD1 4.38Å; V1198-L1203 HydrophobicContact CG1-CB 4.08Å; V1198-L1203 HydrophobicContact CG2-CB 4.13Å; V1198-L1203 HydrophobicContact CG2-CD1 4.24Å; N1200-L1203 HydrophobicContact CB-CD1 4.08Å; N1200-L1203 HydrophobicContact CB-CG 4.12Å; N1200-L1203 PolarHBondContact O-N 2.82Å; K1201-L1203 PolarHBondContact O-N 2.88Å; L1203-Y1205 HydrophobicContact CD2-CE1 3.96Å; L1203-Y1205 PolarHBondContact O-N 3.19Å; L1203-Q1206 HydrophobicContact CB-CG 4.34Å; L1203-Q1206 VanDerWaalsContact O-CB 3.24Å; L1203-Q1206 WeakPolarHBondContact O-CB 3.45Å; L1203-Q1206 WeakPolarHBondContact O-CG 3.25Å; L1203-Q1206 PolarHBondContact O-N 3.16Å
1204	Y	92.8	Very high	91.8	Very high	9 Å²	9	21.9 Å²	21.9	4%	0.035	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-62.4	-25.9	-178.8	-75.8	-6.6	0	0	0	113.7	N1133 A1135 D1165 S1168 V1198 K1201 Q1206 I1207	N1133-Y1204 WeakPolarHBondContact OD1-CA 3.5Å; N1133-Y1204 PolarHBondContact OD1-N 2.98Å; N1133-Y1204 VanDerWaalsContact OD1-N 3.09Å; A1135-Y1204 HydrophobicContact CB-CD2 3.62Å; A1135-Y1204 HydrophobicContact CB-CE2 3.77Å; A1135-Y1204 HydrophobicContact CB-CG 4.05Å; D1165-Y1204 WeakPolarHBondContact OD2-CE2 3.39Å; D1165-Y1204 PolarHBondContact OD2-OH 2.88Å; S1168-Y1204 WeakPolarHBondContact CB-OH 3.33Å; V1198-Y1204 HydrophobicContact CG1-CD1 3.9Å; V1198-Y1204 HydrophobicContact CG1-CE1 4.38Å; K1201-Y1204 HydrophobicContact CB-CD2 4.39Å; K1201-Y1204 HydrophobicContact CB-CE1 4.26Å; K1201-Y1204 HydrophobicContact CB-CE2 3.97Å; K1201-Y1204 HydrophobicContact CD-CE2 3.91Å; K1201-Y1204 WeakPolarHBondContact CD-OH 3.48Å; K1201-Y1204 WeakPolarHBondContact CE-OH 3.41Å; K1201-Y1204 HydrophobicContact CG-CE1 4.16Å; K1201-Y1204 HydrophobicContact CG-CE2 3.99Å; K1201-Y1204 WeakPolarHBondContact CG-OH 3.31Å; Y1204-Q1206 PolarHBondContact O-N 3.43Å; Y1204-Q1206 VanDerWaalsContact O-N 3.11Å; Y1204-I1207 HydrophobicContact CD1-CD1 3.76Å; Y1204-I1207 HydrophobicContact CE1-CD1 4.33Å; Y1204-I1207 HydrophobicContact CG-CD1 4.2Å; Y1204-I1207 WeakPolarHBondContact O-CB 3.44Å; Y1204-I1207 PolarHBondContact O-N 2.88Å
1205	Y	90.1	Very high	91.6	Very high	47 Å²	47	22 Å²	22	18%	0.184	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-57.3	-21.5	170.2	73	-92.4	0	0	0	113.7	R1007 N1133 L1202 L1203 Q1209	R1007-Y1205 WeakPolarHBondContact CD-O 3.29Å; R1007-Y1205 PolarHBondContact NE-O 3.09Å; N1133-Y1205 WeakPolarHBondContact OD1-CD1 3.4Å; N1133-Y1205 PolarHBondContact OD1-N 3.12Å; L1202-Y1205 WeakPolarHBondContact O-CE1 3.24Å; L1203-Y1205 HydrophobicContact CD2-CE1 3.96Å; L1203-Y1205 PolarHBondContact O-N 3.19Å; Y1205-Q1209 PolarHBondContact O-NE2 2.82Å
1206	Q	92.1	Very high	91.3	Very high	11 Å²	11	22.4 Å²	22.4	5%	0.051	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-80.7	-16.9	177.1	-54.2	-178.3	-15.3	0	0	113	Y1187 I1195 L1203 Y1204 G1208 Q1209 I1214	Y1187-Q1206 PolarHBondContact OH-OE1 2.78Å; I1195-Q1206 HydrophobicContact CD1-CB 4.03Å; L1203-Q1206 HydrophobicContact CB-CG 4.34Å; L1203-Q1206 VanDerWaalsContact O-CB 3.24Å; L1203-Q1206 WeakPolarHBondContact O-CB 3.45Å; L1203-Q1206 WeakPolarHBondContact O-CG 3.25Å; L1203-Q1206 PolarHBondContact O-N 3.16Å; Y1204-Q1206 PolarHBondContact O-N 3.43Å; Y1204-Q1206 VanDerWaalsContact O-N 3.11Å; Q1206-G1208 PolarHBondContact O-N 2.88Å; Q1206-Q1209 WeakPolarHBondContact O-CB 3.47Å; Q1206-Q1209 PolarHBondContact O-N 3.11Å; Q1206-I1214 HydrophobicContact CB-CD1 4.23Å; Q1206-I1214 HydrophobicContact CB-CG1 4.32Å; Q1206-I1214 HydrophobicContact CG-CD1 3.88Å; Q1206-I1214 HydrophobicContact CG-CG1 4.29Å; Q1206-I1214 HydrophobicContact CG-CG2 4.38Å
1207	I	93	Very high	90.9	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	130.2	178.8	-60.9	172.9	0	0	0	108.9	V1004 R1007 A1135 L1136 I1195 V1198 Y1204 Q1209	V1004-I1207 HydrophobicContact CG2-CG2 4.05Å; R1007-I1207 WeakPolarHBondContact CD-O 3.5Å; R1007-I1207 WeakPolarHBondContact CG-O 3.34Å; R1007-I1207 PolarHBondContact NE-O 3.12Å; A1135-I1207 HydrophobicContact CB-CD1 4.32Å; L1136-I1207 HydrophobicContact CB-CG2 4.18Å; L1136-I1207 WeakPolarHBondContact CD1-O 3.31Å; I1195-I1207 HydrophobicContact CG2-CG1 4.46Å; V1198-I1207 HydrophobicContact CG1-CD1 4.3Å; V1198-I1207 HydrophobicContact CG1-CG1 4.16Å; Y1204-I1207 HydrophobicContact CD1-CD1 3.76Å; Y1204-I1207 HydrophobicContact CE1-CD1 4.33Å; Y1204-I1207 HydrophobicContact CG-CD1 4.2Å; Y1204-I1207 WeakPolarHBondContact O-CB 3.44Å; Y1204-I1207 PolarHBondContact O-N 2.88Å; I1207-Q1209 VanDerWaalsContact C-N 3.34Å
1208	G	90	Very high	90.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	0.3	-171.9	0	0	0	0	0	114.8	L1006 R1007 I1195 Q1206	L1006-G1208 CarbonylContact C-O 3.5Å; L1006-G1208 WeakPolarHBondContact CA-O 3.42Å; R1007-G1208 PolarHBondContact N-O 2.92Å; I1195-G1208 PolarHBondContact O-N 3.42Å; Q1206-G1208 PolarHBondContact O-N 2.88Å
1209	Q	91.7	Very high	90.7	Very high	16 Å²	16	25.2 Å²	25.2	8%	0.075	12%	0.123	C	C	.	.	S	Bend	trans	-94.1	158.4	172.4	-58.9	-164.3	41.9	0	0	112.2	R1007 N1194 I1195 Y1205 Q1206 I1207 I1214	R1007-Q1209 HydrophobicContact CB-CG 3.96Å; N1194-Q1209 CarbonylContact C-O 3.57Å; N1194-Q1209 VanDerWaalsContact CA-O 3.31Å; N1194-Q1209 WeakPolarHBondContact CA-O 3.25Å; I1195-Q1209 PolarHBondContact N-O 2.99Å; Y1205-Q1209 PolarHBondContact O-NE2 2.82Å; Q1206-Q1209 WeakPolarHBondContact O-CB 3.47Å; Q1206-Q1209 PolarHBondContact O-N 3.11Å; I1207-Q1209 VanDerWaalsContact C-N 3.34Å; Q1209-I1214 HydrophobicContact CB-CD1 4.37Å; Q1209-I1214 HydrophobicContact CB-CG1 4.35Å
1210	F	92.9	Very high	90.6	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-77.5	133	172.9	172.5	-120.8	0	0	0	110.8	A1193 G1212 Y1213 M1219 Y1325 L1393 R1395	A1193-F1210 HydrophobicContact CB-CD2 4.31Å; A1193-F1210 HydrophobicContact CB-CE2 4.03Å; F1210-G1212 VanDerWaalsContact C-N 3.26Å; F1210-G1212 VanDerWaalsContact CE1-CA 3.44Å; F1210-G1212 PolarHBondContact O-N 3.22Å; F1210-Y1213 HydrophobicContact CB-CD2 4.15Å; F1210-Y1213 HydrophobicContact CB-CE2 4.44Å; F1210-Y1213 HydrophobicContact CB-CG 4.4Å; F1210-Y1213 AromaticContact CD1-CD1 3.73Å; F1210-Y1213 HydrophobicContact CD1-CD1 3.73Å; F1210-Y1213 HydrophobicContact CD1-CD2 4.38Å; F1210-Y1213 AromaticContact CD1-CE1 3.84Å; F1210-Y1213 HydrophobicContact CD1-CE1 3.84Å; F1210-Y1213 HydrophobicContact CD1-CE2 4.5Å; F1210-Y1213 HydrophobicContact CD1-CG 4.01Å; F1210-Y1213 HydrophobicContact CE1-CD1 4.36Å; F1210-Y1213 HydrophobicContact CE1-CE1 4.35Å; F1210-Y1213 PolarHBondContact O-N 3.13Å; F1210-M1219 HydrophobicContact CE2-CE 4.05Å; F1210-M1219 HydrophobicContact CZ-CE 4.23Å; F1210-M1219 HydrophobicContact CZ-CG 4.14Å; F1210-Y1325 HydrophobicContact CE1-CD2 4.47Å; F1210-Y1325 HydrophobicContact CE1-CE2 4.06Å; F1210-Y1325 HydrophobicContact CE2-CD1 4.3Å; F1210-Y1325 AromaticContact CE2-CD2 3.65Å; F1210-Y1325 HydrophobicContact CE2-CD2 3.65Å; F1210-Y1325 HydrophobicContact CE2-CE2 4.05Å; F1210-Y1325 AromaticContact CE2-CG 3.81Å; F1210-Y1325 HydrophobicContact CE2-CG 3.81Å; F1210-Y1325 HydrophobicContact CZ-CD1 4.05Å; F1210-Y1325 AromaticContact CZ-CD2 3.52Å; F1210-Y1325 HydrophobicContact CZ-CD2 3.52Å; F1210-Y1325 AromaticContact CZ-CE1 3.93Å; F1210-Y1325 HydrophobicContact CZ-CE1 3.93Å; F1210-Y1325 AromaticContact CZ-CE2 3.41Å; F1210-Y1325 HydrophobicContact CZ-CE2 3.41Å; F1210-Y1325 VanDerWaalsContact CZ-CE2 3.41Å; F1210-Y1325 AromaticContact CZ-CG 3.86Å; F1210-Y1325 HydrophobicContact CZ-CG 3.86Å; F1210-Y1325 AromaticContact CZ-CZ 3.63Å; F1210-L1393 HydrophobicContact CE1-CB 4.26Å; F1210-R1395 HydrophobicContact CD1-CB 4.21Å; F1210-R1395 HydrophobicContact CE1-CB 4.17Å
1211	L	92.9	Very high	90.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.4	-38.2	-177.2	-176.6	65.2	0	0	0	112.6	Y1187 L1189 A1193 I1195 Y1213 I1214 D1215 L1218 M1219 L1222 L1375	Y1187-L1211 HydrophobicContact CD2-CD1 4.49Å; Y1187-L1211 HydrophobicContact CE2-CD1 4.23Å; L1189-L1211 HydrophobicContact CD1-CD2 3.82Å; L1189-L1211 HydrophobicContact CD2-CB 4.41Å; L1189-L1211 HydrophobicContact CD2-CD2 4.37Å; A1193-L1211 WeakPolarHBondContact O-CB 3.45Å; A1193-L1211 PolarHBondContact O-N 3.18Å; I1195-L1211 HydrophobicContact CD1-CD1 4.25Å; L1211-Y1213 PolarHBondContact O-N 2.85Å; L1211-Y1213 VanDerWaalsContact O-N 3.1Å; L1211-I1214 PolarHBondContact O-N 3.43Å; L1211-D1215 HydrophobicContact CD1-CB 4.11Å; L1211-D1215 PolarHBondContact O-N 2.84Å; L1211-L1218 HydrophobicContact CD2-CD2 4.44Å; L1211-L1218 HydrophobicContact CD2-CG 4.41Å; L1211-M1219 HydrophobicContact CB-SD 4.28Å; L1211-M1219 HydrophobicContact CD2-CB 4.38Å; L1211-M1219 HydrophobicContact CD2-SD 4.16Å; L1211-M1219 HydrophobicContact CG-CB 4.31Å; L1211-L1222 HydrophobicContact CD2-CD1 3.73Å; L1211-L1375 HydrophobicContact CD2-CD2 3.93Å
1212	G	90	Very high	90.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.8	-5.2	179.3	0	0	0	0	0	115.7	F1210	F1210-G1212 VanDerWaalsContact C-N 3.26Å; F1210-G1212 VanDerWaalsContact CE1-CA 3.44Å; F1210-G1212 PolarHBondContact O-N 3.22Å
1213	Y	87.7	Confident	91	Very high	41 Å²	41	16 Å²	16	16%	0.161	8%	0.08	C	C	.	.	H	α-helix	trans	-94.5	-28.9	169	-64.3	-13.8	0	0	0	112.9	F1210 L1211 L1393 R1395 D1396	F1210-Y1213 HydrophobicContact CB-CD2 4.15Å; F1210-Y1213 HydrophobicContact CB-CE2 4.44Å; F1210-Y1213 HydrophobicContact CB-CG 4.4Å; F1210-Y1213 AromaticContact CD1-CD1 3.73Å; F1210-Y1213 HydrophobicContact CD1-CD1 3.73Å; F1210-Y1213 HydrophobicContact CD1-CD2 4.38Å; F1210-Y1213 AromaticContact CD1-CE1 3.84Å; F1210-Y1213 HydrophobicContact CD1-CE1 3.84Å; F1210-Y1213 HydrophobicContact CD1-CE2 4.5Å; F1210-Y1213 HydrophobicContact CD1-CG 4.01Å; F1210-Y1213 HydrophobicContact CE1-CD1 4.36Å; F1210-Y1213 HydrophobicContact CE1-CE1 4.35Å; F1210-Y1213 PolarHBondContact O-N 3.13Å; L1211-Y1213 PolarHBondContact O-N 2.85Å; L1211-Y1213 VanDerWaalsContact O-N 3.1Å; Y1213-L1393 WeakPolarHBondContact CE1-O 3.36Å; Y1213-R1395 HydrophobicContact CE1-CB 4.45Å; Y1213-D1396 PolarHBondContact OH-N 2.91Å; Y1213-D1396 VanDerWaalsContact OH-N 3.14Å; Y1213-D1396 PolarHBondContact OH-OD1 3.37Å; Y1213-D1396 PolarHBondContact OH-OD2 2.94Å
1214	I	88	Confident	90.9	Very high	33 Å²	33	20.7 Å²	20.7	17%	0.169	10%	0.101	C	C	.	.	H	α-helix	trans	-84	-41.7	177	-58.9	-55.8	0	0	0	111.1	I1195 Q1206 Q1209 L1211	I1195-I1214 HydrophobicContact CD1-CG1 4.04Å; Q1206-I1214 HydrophobicContact CB-CD1 4.23Å; Q1206-I1214 HydrophobicContact CB-CG1 4.32Å; Q1206-I1214 HydrophobicContact CG-CD1 3.88Å; Q1206-I1214 HydrophobicContact CG-CG1 4.29Å; Q1206-I1214 HydrophobicContact CG-CG2 4.38Å; Q1209-I1214 HydrophobicContact CB-CD1 4.37Å; Q1209-I1214 HydrophobicContact CB-CG1 4.35Å; L1211-I1214 PolarHBondContact O-N 3.43Å
1215	D	89.7	Confident	90.8	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	12%	0.116	C	C	.	.			trans	-148.6	76.3	-167.3	-162.3	-21.8	0	0	0	110.4	L1211 D1217 L1218 M1219 R1360	L1211-D1215 HydrophobicContact CD1-CB 4.11Å; L1211-D1215 PolarHBondContact O-N 2.84Å; D1215-D1217 VanDerWaalsContact C-N 3.32Å; D1215-D1217 PolarHBondContact O-N 3.15Å; D1215-L1218 HydrophobicContact CB-CB 4.1Å; D1215-L1218 PolarHBondContact O-N 2.8Å; D1215-L1218 WeakPolarHBondContact OD1-CB 3.36Å; D1215-L1218 PolarHBondContact OD1-N 3.46Å; D1215-L1218 WeakPolarHBondContact OD2-CD2 3.4Å; D1215-M1219 PolarHBondContact O-N 3.09Å; D1215-M1219 VanDerWaalsContact O-N 3.1Å; D1215-R1360 IonicContact OD1-CZ 2.67Å; D1215-R1360 IonicContact OD1-NH1 3.88Å; D1215-R1360 PolarHBondContact OD1-NH1 3.3Å; D1215-R1360 IonicContact OD2-CZ 3.05Å; D1215-R1360 IonicContact OD2-NH1 2.61Å; D1215-R1360 PolarHBondContact OD2-NH1 3.11Å; D1215-R1360 IonicContact OD2-NH2 3.81Å; D1215-R1360 PolarHBondContact OD2-NH2 2.9Å
1216	P	88.4	Confident	90.7	Very high	8 Å²	8	26.2 Å²	26.2	5%	0.052	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-37.6	-174.1	-21	31.7	0	0	0	112.9	M1219 N1220 N1391	P1216-M1219 PolarHBondContact O-N 3.25Å; P1216-N1220 VanDerWaalsContact O-CB 3.31Å; P1216-N1220 WeakPolarHBondContact O-CB 3.38Å; P1216-N1220 PolarHBondContact O-N 2.74Å; P1216-N1220 PolarHBondContact O-ND2 3.09Å; P1216-N1220 VanDerWaalsContact O-ND2 3.11Å; P1216-N1391 WeakPolarHBondContact CB-O 3.37Å
1217	D	86.7	Confident	90.7	Very high	62 Å²	62	25.7 Å²	25.7	33%	0.332	13%	0.128	S	C	.	.	H	α-helix	trans	-68.4	-39.3	-178.9	-65.5	-44.6	0	0	0	112.1	D1215 S1221 I1352	D1215-D1217 VanDerWaalsContact C-N 3.32Å; D1215-D1217 PolarHBondContact O-N 3.15Å; D1217-S1221 WeakPolarHBondContact O-CB 3.38Å; D1217-S1221 PolarHBondContact O-N 2.91Å; D1217-I1352 HydrophobicContact CB-CD1 4.39Å; D1217-I1352 HydrophobicContact CB-CG2 4.16Å
1218	L	91.8	Very high	90.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.4	-44.7	174.2	-177.1	58.8	0	0	0	111.4	L1211 D1215 S1221 L1222 I1352 W1362 L1375 T1377	L1211-L1218 HydrophobicContact CD2-CD2 4.44Å; L1211-L1218 HydrophobicContact CD2-CG 4.41Å; D1215-L1218 HydrophobicContact CB-CB 4.1Å; D1215-L1218 PolarHBondContact O-N 2.8Å; D1215-L1218 WeakPolarHBondContact OD1-CB 3.36Å; D1215-L1218 PolarHBondContact OD1-N 3.46Å; D1215-L1218 WeakPolarHBondContact OD2-CD2 3.4Å; L1218-S1221 PolarHBondContact O-N 3.09Å; L1218-L1222 HydrophobicContact CG-CD1 4.47Å; L1218-L1222 VanDerWaalsContact O-CG 3.29Å; L1218-L1222 WeakPolarHBondContact O-CG 3.38Å; L1218-L1222 PolarHBondContact O-N 2.81Å; L1218-I1352 HydrophobicContact CB-CD1 4.02Å; L1218-I1352 HydrophobicContact CD1-CD1 4.1Å; L1218-W1362 HydrophobicContact CD1-CB 3.78Å; L1218-W1362 HydrophobicContact CD1-CD2 4.28Å; L1218-W1362 HydrophobicContact CD1-CG 3.62Å; L1218-L1375 HydrophobicContact CD2-CD2 3.87Å; L1218-L1375 HydrophobicContact CG-CD2 4.22Å; L1218-T1377 HydrophobicContact CD2-CG2 3.85Å
1219	M	92.7	Very high	90.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.4	-38.1	178	-173.5	64.7	-165.2	0	0	112.2	A1193 F1210 L1211 D1215 P1216 L1222 V1223 Y1228 Y1325 L1393	A1193-M1219 HydrophobicContact CB-CE 3.53Å; A1193-M1219 HydrophobicContact CB-SD 3.71Å; F1210-M1219 HydrophobicContact CE2-CE 4.05Å; F1210-M1219 HydrophobicContact CZ-CE 4.23Å; F1210-M1219 HydrophobicContact CZ-CG 4.14Å; L1211-M1219 HydrophobicContact CB-SD 4.28Å; L1211-M1219 HydrophobicContact CD2-CB 4.38Å; L1211-M1219 HydrophobicContact CD2-SD 4.16Å; L1211-M1219 HydrophobicContact CG-CB 4.31Å; D1215-M1219 PolarHBondContact O-N 3.09Å; D1215-M1219 VanDerWaalsContact O-N 3.1Å; P1216-M1219 PolarHBondContact O-N 3.25Å; M1219-L1222 PolarHBondContact O-N 2.98Å; M1219-L1222 HydrophobicContact SD-CD1 4.33Å; M1219-V1223 HydrophobicContact CE-CG2 4.19Å; M1219-V1223 WeakPolarHBondContact O-CG2 3.38Å; M1219-V1223 PolarHBondContact O-N 3.25Å; M1219-V1223 VanDerWaalsContact O-N 3.09Å; M1219-Y1228 HydrophobicContact CE-CD2 4.03Å; M1219-Y1228 HydrophobicContact CE-CG 3.99Å; M1219-Y1228 HydrophobicContact SD-CD2 4.42Å; M1219-Y1325 HydrophobicContact CE-CD1 3.39Å; M1219-Y1325 HydrophobicContact CE-CE1 4.02Å; M1219-Y1325 HydrophobicContact CE-CG 4.02Å; M1219-L1393 HydrophobicContact CB-CD1 3.63Å; M1219-L1393 HydrophobicContact CG-CD1 3.55Å
1220	N	91	Very high	90.6	Very high	27 Å²	27	27.9 Å²	27.9	14%	0.144	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-47.4	169.7	-85.9	-42.8	0	0	0	111.6	P1216 L1222 V1223 Q1224 L1393	P1216-N1220 VanDerWaalsContact O-CB 3.31Å; P1216-N1220 WeakPolarHBondContact O-CB 3.38Å; P1216-N1220 PolarHBondContact O-N 2.74Å; P1216-N1220 PolarHBondContact O-ND2 3.09Å; P1216-N1220 VanDerWaalsContact O-ND2 3.11Å; N1220-L1222 VanDerWaalsContact C-N 3.29Å; N1220-L1222 PolarHBondContact O-N 2.66Å; N1220-V1223 PolarHBondContact O-N 3.19Å; N1220-V1223 VanDerWaalsContact O-N 3.16Å; N1220-Q1224 WeakPolarHBondContact O-CG 3.24Å; N1220-Q1224 PolarHBondContact O-N 2.84Å; N1220-L1393 WeakPolarHBondContact OD1-CD2 3.27Å
1221	S	92.1	Very high	90.5	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-36	179.4	-158.9	0	0	0	0	112.2	D1217 L1218 N1225 W1362	D1217-S1221 WeakPolarHBondContact O-CB 3.38Å; D1217-S1221 PolarHBondContact O-N 2.91Å; L1218-S1221 PolarHBondContact O-N 3.09Å; S1221-N1225 WeakPolarHBondContact O-CB 3.38Å; S1221-N1225 PolarHBondContact O-N 2.73Å; S1221-N1225 PolarHBondContact O-ND2 2.79Å; S1221-W1362 PolarHBondContact OG-NE1 2.93Å
1222	L	93.9	Very high	90.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-36.1	174.3	-67.4	169.1	0	0	0	113.1	L1189 L1211 L1218 M1219 N1220 H1226 V1227 Y1228 W1362 V1364 L1375	L1189-L1222 HydrophobicContact CD1-CD1 4.49Å; L1211-L1222 HydrophobicContact CD2-CD1 3.73Å; L1218-L1222 HydrophobicContact CG-CD1 4.47Å; L1218-L1222 VanDerWaalsContact O-CG 3.29Å; L1218-L1222 WeakPolarHBondContact O-CG 3.38Å; L1218-L1222 PolarHBondContact O-N 2.81Å; M1219-L1222 PolarHBondContact O-N 2.98Å; M1219-L1222 HydrophobicContact SD-CD1 4.33Å; N1220-L1222 VanDerWaalsContact C-N 3.29Å; N1220-L1222 PolarHBondContact O-N 2.66Å; L1222-H1226 PolarHBondContact O-N 3.23Å; L1222-V1227 HydrophobicContact CB-CB 4.18Å; L1222-V1227 HydrophobicContact CB-CG2 4.42Å; L1222-V1227 HydrophobicContact CD2-CB 4.2Å; L1222-V1227 HydrophobicContact CD2-CG1 4.2Å; L1222-V1227 HydrophobicContact CD2-CG2 3.92Å; L1222-V1227 VanDerWaalsContact O-CB 3.26Å; L1222-V1227 WeakPolarHBondContact O-CB 3.38Å; L1222-V1227 WeakPolarHBondContact O-CG2 3.38Å; L1222-V1227 PolarHBondContact O-N 2.95Å; L1222-Y1228 HydrophobicContact CB-CD2 4.25Å; L1222-Y1228 HydrophobicContact CD1-CE2 4.44Å; L1222-W1362 HydrophobicContact CD2-CD2 4.34Å; L1222-W1362 HydrophobicContact CD2-CE3 3.8Å; L1222-W1362 HydrophobicContact CD2-CH2 3.88Å; L1222-W1362 HydrophobicContact CD2-CZ2 4.35Å; L1222-W1362 HydrophobicContact CD2-CZ3 3.57Å; L1222-V1364 HydrophobicContact CD2-CB 4.44Å; L1222-V1364 HydrophobicContact CD2-CG1 4.38Å; L1222-L1375 HydrophobicContact CD1-CD2 3.86Å; L1222-L1375 HydrophobicContact CD2-CD1 4.15Å
1223	V	91.5	Very high	90.4	Very high	39 Å²	39	33.7 Å²	33.7	24%	0.236	17%	0.171	C	C	.	.	H	α-helix	trans	-70.1	-47.5	174.9	173	0	0	0	0	110.9	M1219 N1220 N1225 H1226 Y1228 V1230 Y1325	M1219-V1223 HydrophobicContact CE-CG2 4.19Å; M1219-V1223 WeakPolarHBondContact O-CG2 3.38Å; M1219-V1223 PolarHBondContact O-N 3.25Å; M1219-V1223 VanDerWaalsContact O-N 3.09Å; N1220-V1223 PolarHBondContact O-N 3.19Å; N1220-V1223 VanDerWaalsContact O-N 3.16Å; V1223-N1225 PolarHBondContact O-N 2.73Å; V1223-H1226 PolarHBondContact O-N 3.09Å; V1223-Y1228 WeakPolarHBondContact CA-O 3.44Å; V1223-V1230 HydrophobicContact CG1-CG2 3.96Å; V1223-V1230 HydrophobicContact CG2-CG2 4.02Å; V1223-Y1325 HydrophobicContact CG2-CD1 4.43Å; V1223-Y1325 HydrophobicContact CG2-CE1 4.42Å
1224	Q	90.3	Very high	90.6	Very high	128 Å²	128	34.2 Å²	34.2	60%	0.598	17%	0.173	S	C	*	.	H	α-helix	trans	-58.1	-34.5	176.4	-72.5	173	-14.3	0	0	112.9	N1220 H1226	N1220-Q1224 WeakPolarHBondContact O-CG 3.24Å; N1220-Q1224 PolarHBondContact O-N 2.84Å; Q1224-H1226 VanDerWaalsContact C-N 3.28Å; Q1224-H1226 PolarHBondContact O-N 2.85Å
1225	N	90.3	Very high	90.5	Very high	67 Å²	67	34.3 Å²	34.3	36%	0.358	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	18.8	177	-72.2	-96	0	0	0	113.3	S1221 V1223 V1227 W1362	S1221-N1225 WeakPolarHBondContact O-CB 3.38Å; S1221-N1225 PolarHBondContact O-N 2.73Å; S1221-N1225 PolarHBondContact O-ND2 2.79Å; V1223-N1225 PolarHBondContact O-N 2.73Å; N1225-V1227 VanDerWaalsContact C-N 3.27Å; N1225-V1227 HydrophobicContact CB-CG2 4.48Å; N1225-V1227 PolarHBondContact O-N 2.77Å; N1225-W1362 HydrophobicContact CB-CH2 3.73Å; N1225-W1362 HydrophobicContact CB-CZ2 4.02Å
1226	H	88.5	Confident	90.2	Very high	105 Å²	105	35.4 Å²	35.4	49%	0.486	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	36	174.1	-52.1	-25.2	0	0	0	114.6	L1222 V1223 Q1224 L1328	L1222-H1226 PolarHBondContact O-N 3.23Å; V1223-H1226 PolarHBondContact O-N 3.09Å; Q1224-H1226 VanDerWaalsContact C-N 3.28Å; Q1224-H1226 PolarHBondContact O-N 2.85Å; H1226-L1328 HydrophobicContact CB-CD1 4.06Å; H1226-L1328 WeakPolarHBondContact O-CD1 3.21Å
1227	V	90.5	Very high	89.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-82.2	-43.5	171.8	-174.1	0	0	0	0	109.9	L1222 N1225 L1328 F1344 I1348 W1362 V1364 L1373	L1222-V1227 HydrophobicContact CB-CB 4.18Å; L1222-V1227 HydrophobicContact CB-CG2 4.42Å; L1222-V1227 HydrophobicContact CD2-CB 4.2Å; L1222-V1227 HydrophobicContact CD2-CG1 4.2Å; L1222-V1227 HydrophobicContact CD2-CG2 3.92Å; L1222-V1227 VanDerWaalsContact O-CB 3.26Å; L1222-V1227 WeakPolarHBondContact O-CB 3.38Å; L1222-V1227 WeakPolarHBondContact O-CG2 3.38Å; L1222-V1227 PolarHBondContact O-N 2.95Å; N1225-V1227 VanDerWaalsContact C-N 3.27Å; N1225-V1227 HydrophobicContact CB-CG2 4.48Å; N1225-V1227 PolarHBondContact O-N 2.77Å; V1227-L1328 PolarHBondContact O-N 2.84Å; V1227-L1328 VanDerWaalsContact O-N 3.13Å; V1227-F1344 HydrophobicContact CG1-CE1 4.29Å; V1227-F1344 HydrophobicContact CG1-CE2 4.32Å; V1227-F1344 HydrophobicContact CG1-CZ 3.67Å; V1227-I1348 HydrophobicContact CG2-CD1 4.36Å; V1227-I1348 HydrophobicContact CG2-CG2 4.39Å; V1227-W1362 HydrophobicContact CG2-CH2 4.25Å; V1227-W1362 HydrophobicContact CG2-CZ3 4.41Å; V1227-V1364 HydrophobicContact CB-CG1 4.46Å; V1227-V1364 HydrophobicContact CG1-CG1 3.79Å; V1227-V1364 HydrophobicContact CG1-CG2 4.16Å; V1227-V1364 HydrophobicContact CG2-CG1 3.76Å; V1227-L1373 HydrophobicContact CG1-CD1 3.61Å
1228	Y	92.4	Very high	89.5	Confident	2 Å²	2	33 Å²	33	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.2	173.3	-69.8	-86.5	0	0	0	110	L1189 E1190 D1191 A1193 M1219 L1222 V1223 Y1326 L1373	L1189-Y1228 WeakPolarHBondContact CB-OH 3.44Å; L1189-Y1228 HydrophobicContact CD1-CE2 4.31Å; E1190-Y1228 WeakPolarHBondContact O-CE1 3.33Å; E1190-Y1228 PolarHBondContact O-OH 3.28Å; D1191-Y1228 WeakPolarHBondContact O-CE1 3.37Å; A1193-Y1228 HydrophobicContact CB-CD1 4.2Å; A1193-Y1228 HydrophobicContact CB-CD2 4.43Å; A1193-Y1228 HydrophobicContact CB-CE1 3.73Å; A1193-Y1228 HydrophobicContact CB-CE2 3.98Å; M1219-Y1228 HydrophobicContact CE-CD2 4.03Å; M1219-Y1228 HydrophobicContact CE-CG 3.99Å; M1219-Y1228 HydrophobicContact SD-CD2 4.42Å; L1222-Y1228 HydrophobicContact CB-CD2 4.25Å; L1222-Y1228 HydrophobicContact CD1-CE2 4.44Å; V1223-Y1228 WeakPolarHBondContact CA-O 3.44Å; Y1228-Y1326 CarbonylContact C-O 3.49Å; Y1228-Y1326 VanDerWaalsContact CA-O 3.29Å; Y1228-Y1326 WeakPolarHBondContact CA-O 3.28Å; Y1228-L1373 HydrophobicContact CE1-CD1 4.44Å; Y1228-L1373 HydrophobicContact CE2-CD1 3.76Å; Y1228-L1373 WeakPolarHBondContact OH-CD1 3.33Å
1229	G	90.2	Very high	89	Confident	9 Å²	9	34.4 Å²	34.4	9%	0.093	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	167	162.2	0	0	0	0	0	111.2	Y1325 Y1326	G1229-Y1325 WeakPolarHBondContact O-CA 3.48Å; G1229-Y1326 VanDerWaalsContact C-CE1 3.47Å; G1229-Y1326 PolarHBondContact N-O 3.36Å; G1229-Y1326 PolarHBondContact O-N 2.93Å
1230	V	91.5	Very high	88.5	Confident	54 Å²	54	35 Å²	35	33%	0.327	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.4	176.6	-164.2	0	0	0	0	108.7	V1223 H1323 R1324 Y1325	V1223-V1230 HydrophobicContact CG1-CG2 3.96Å; V1223-V1230 HydrophobicContact CG2-CG2 4.02Å; V1230-H1323 HydrophobicContact CG1-CB 4.1Å; V1230-R1324 CarbonylContact C-O 3.55Å; V1230-R1324 WeakPolarHBondContact CA-O 3.37Å; V1230-Y1325 HydrophobicContact CB-CD1 4.46Å; V1230-Y1325 HydrophobicContact CB-CE1 4.36Å; V1230-Y1325 HydrophobicContact CG1-CD1 4.27Å; V1230-Y1325 HydrophobicContact CG1-CE1 3.96Å; V1230-Y1325 HydrophobicContact CG1-CE2 4.39Å; V1230-Y1325 HydrophobicContact CG2-CD1 3.67Å; V1230-Y1325 HydrophobicContact CG2-CE1 3.5Å
1231	L	91.2	Very high	87.9	Confident	21 Å²	21	40.1 Å²	40.1	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.7	177.4	-175.4	60.2	0	0	0	109.8	F537 V539 F563 T572 D1233 R1324 Y1326	F537-L1231 HydrophobicContact CD1-CD2 3.83Å; F537-L1231 HydrophobicContact CD1-CG 4.4Å; F537-L1231 HydrophobicContact CD2-CD2 3.82Å; F537-L1231 HydrophobicContact CE1-CD2 3.72Å; F537-L1231 HydrophobicContact CE1-CG 4.11Å; F537-L1231 HydrophobicContact CE2-CD2 3.7Å; F537-L1231 HydrophobicContact CG-CD2 3.89Å; F537-L1231 HydrophobicContact CZ-CD2 3.66Å; F537-L1231 HydrophobicContact CZ-CG 4.32Å; V539-L1231 HydrophobicContact CG2-CD1 3.76Å; V539-L1231 HydrophobicContact CG2-CD2 4.4Å; F563-L1231 HydrophobicContact CB-CD2 4.15Å; F563-L1231 HydrophobicContact CD1-CD2 4.11Å; F563-L1231 HydrophobicContact CD2-CD2 4.48Å; F563-L1231 HydrophobicContact CG-CD2 4.01Å; T572-L1231 HydrophobicContact CG2-CD2 4.12Å; L1231-D1233 PolarHBondContact O-N 2.85Å; L1231-R1324 PolarHBondContact N-O 3.48Å; L1231-R1324 PolarHBondContact O-N 3.31Å; L1231-Y1326 HydrophobicContact CB-CD1 4.39Å; L1231-Y1326 HydrophobicContact CB-CE1 4.19Å
1232	K	90.3	Very high	86.9	Confident	97 Å²	97	41.8 Å²	41.8	42%	0.422	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	117.1	170.1	-66.8	171.1	-178.7	167.8	0	108.3	D1101 L1321	D1101-K1232 IonicContact OD2-NZ 3.14Å; D1101-K1232 PolarHBondContact OD2-NZ 2.8Å; K1232-L1321 HydrophobicContact CB-CD1 3.91Å; K1232-L1321 HydrophobicContact CG-CD1 4.32Å
1233	D	90.8	Very high	85.3	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.8	178.9	-177.8	20.9	0	0	0	109.9	F537 K565 L1231 I1322 R1324	F537-D1233 HydrophobicContact CE1-CB 3.64Å; F537-D1233 WeakPolarHBondContact CE1-OD1 3.43Å; F537-D1233 HydrophobicContact CZ-CB 3.75Å; F537-D1233 VanDerWaalsContact CZ-CG 3.49Å; K565-D1233 VanDerWaalsContact CE-OD1 3.25Å; K565-D1233 WeakPolarHBondContact CE-OD1 3.4Å; K565-D1233 VanDerWaalsContact CE-OD2 3.29Å; K565-D1233 WeakPolarHBondContact CE-OD2 3.39Å; K565-D1233 IonicContact NZ-OD1 3.48Å; K565-D1233 PolarHBondContact NZ-OD1 2.66Å; K565-D1233 IonicContact NZ-OD2 2.67Å; L1231-D1233 PolarHBondContact O-N 2.85Å; D1233-I1322 HydrophobicContact CB-CB 4.24Å; D1233-I1322 PolarHBondContact N-O 2.91Å; D1233-I1322 PolarHBondContact O-N 3.27Å; D1233-R1324 HydrophobicContact CB-CG 4.39Å; D1233-R1324 IonicContact OD2-CZ 2.73Å; D1233-R1324 IonicContact OD2-NE 3.93Å; D1233-R1324 PolarHBondContact OD2-NE 2.97Å; D1233-R1324 IonicContact OD2-NH2 3.33Å; D1233-R1324 PolarHBondContact OD2-NH2 2.83Å
1234	Y	89.9	Confident	83.3	Confident	53 Å²	53	54 Å²	54	21%	0.208	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.9	179.7	-66.1	-78.1	0	0	0	110.2	F1236 I1319 K1320 L1321 D1400 T1403	Y1234-F1236 HydrophobicContact CG-CZ 4.41Å; Y1234-I1319 HydrophobicContact CD1-CG2 4.08Å; Y1234-K1320 WeakPolarHBondContact CA-O 3.43Å; Y1234-L1321 HydrophobicContact CD1-CB 4.41Å; Y1234-L1321 HydrophobicContact CD1-CD1 4.17Å; Y1234-L1321 HydrophobicContact CE1-CB 4.27Å; Y1234-L1321 HydrophobicContact CE1-CD1 3.84Å; Y1234-L1321 HydrophobicContact CE1-CG 4.43Å; Y1234-D1400 WeakPolarHBondContact CE1-OD1 3.31Å; Y1234-T1403 HydrophobicContact CD2-CG2 4.2Å; Y1234-T1403 HydrophobicContact CE2-CG2 3.74Å
1235	D	87.1	Confident	80.9	Confident	35 Å²	35	53.1 Å²	53.1	19%	0.187	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.1	167.7	164.8	25.5	0	0	0	108.4	E1237 G1238 I1319 K1320 I1322	D1235-E1237 WeakPolarHBondContact OD1-CA 3.22Å; D1235-E1237 PolarHBondContact OD1-N 2.8Å; D1235-G1238 VanDerWaalsContact CG-N 3.35Å; D1235-G1238 PolarHBondContact OD1-N 2.81Å; D1235-G1238 WeakPolarHBondContact OD2-CA 3.49Å; D1235-G1238 PolarHBondContact OD2-N 2.86Å; D1235-I1319 CarbonylContact O-C 3.47Å; D1235-I1319 WeakPolarHBondContact O-CA 3.26Å; D1235-K1320 HydrophobicContact CB-CB 4.19Å; D1235-K1320 PolarHBondContact N-O 3.1Å; D1235-K1320 PolarHBondContact O-N 3.23Å; D1235-I1322 HydrophobicContact CB-CD1 4.22Å
1236	F	84.3	Confident	78.5	Confident	27 Å²	27	56.4 Å²	56.4	12%	0.118	27%	0.271	C	S	.	.	S	Bend	trans	-88.3	-6.2	178.2	-65.1	-88	0	0	0	113	L530 D534 Y1234 Q1317 I1319	L530-F1236 HydrophobicContact CD2-CB 3.49Å; L530-F1236 VanDerWaalsContact CD2-CB 3.49Å; L530-F1236 HydrophobicContact CD2-CG 4.31Å; D534-F1236 HydrophobicContact CB-CD2 3.81Å; D534-F1236 HydrophobicContact CB-CE2 3.83Å; Y1234-F1236 HydrophobicContact CG-CZ 4.41Å; F1236-Q1317 PolarHBondContact O-NE2 3.33Å; F1236-I1319 HydrophobicContact CD1-CD1 3.71Å; F1236-I1319 HydrophobicContact CD1-CG1 3.75Å; F1236-I1319 HydrophobicContact CD1-CG2 4.29Å; F1236-I1319 HydrophobicContact CE1-CD1 3.79Å; F1236-I1319 HydrophobicContact CE1-CG1 4.26Å; F1236-I1319 HydrophobicContact CE1-CG2 4.38Å
1237	E	80.2	Confident	76	Confident	18 Å²	18	56.6 Å²	56.6	8%	0.084	28%	0.275	C	S	.	.	S	Bend	trans	-97.5	-5.1	174.8	-64.3	-171.9	128.9	0	0	111.6	I518 Y521 L530 D1235	I518-E1237 WeakPolarHBondContact CB-OE2 3.4Å; I518-E1237 PolarHBondContact N-OE1 2.86Å; I518-E1237 PolarHBondContact N-OE2 2.88Å; Y521-E1237 WeakPolarHBondContact CE2-O 3.46Å; L530-E1237 HydrophobicContact CD1-CG 3.45Å; L530-E1237 VanDerWaalsContact CD1-CG 3.45Å; L530-E1237 WeakPolarHBondContact CD1-OE1 3.38Å; L530-E1237 HydrophobicContact CD2-CG 4.49Å; D1235-E1237 WeakPolarHBondContact OD1-CA 3.22Å; D1235-E1237 PolarHBondContact OD1-N 2.8Å
1238	G	79.9	Confident	73.2	Confident	2 Å²	2	65 Å²	65	2%	0.021	31%	0.314	C	S	.	.			trans	-54	136	-174.3	0	0	0	0	0	116.1	D1235 Q1317 C1318	D1235-G1238 VanDerWaalsContact CG-N 3.35Å; D1235-G1238 PolarHBondContact OD1-N 2.81Å; D1235-G1238 WeakPolarHBondContact OD2-CA 3.49Å; D1235-G1238 PolarHBondContact OD2-N 2.86Å; G1238-Q1317 WeakPolarHBondContact O-CA 3.33Å; G1238-C1318 PolarHBondContact O-N 3.19Å; G1238-C1318 PolarHBondContact O-SG 3.18Å; G1238-C1318 VanDerWaalsContact O-SG 3.41Å
1239	T	79.8	Confident	70.2	Confident	29 Å²	29	70 Å²	70	18%	0.178	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.6	171.6	22.6	0	0	0	0	112.5	Y521 W523 P1315 K1320	Y521-T1239 HydrophobicContact CD1-CG2 4.33Å; Y521-T1239 HydrophobicContact CD2-CG2 4.1Å; Y521-T1239 HydrophobicContact CE1-CG2 3.82Å; Y521-T1239 HydrophobicContact CE2-CG2 3.53Å; Y521-T1239 HydrophobicContact CG-CG2 4.46Å; Y521-T1239 PolarHBondContact OH-OG1 2.98Å; Y521-T1239 VanDerWaalsContact OH-OG1 3.05Å; W523-T1239 HydrophobicContact CZ2-CG2 3.92Å; T1239-P1315 HydrophobicContact CG2-CB 4.31Å; T1239-K1320 WeakPolarHBondContact O-CE 3.49Å; T1239-K1320 PolarHBondContact O-NZ 3.46Å
1240	C	82.7	Confident	67.2	Low	11 Å²	11	75.7 Å²	75.7	7%	0.074	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	146.8	171.4	-74.2	0	0	0	0	110.7	P1315 Y1316 C1318	C1240-P1315 WeakPolarHBondContact O-CA 3.34Å; C1240-Y1316 HydrophobicContact CB-CD2 4.36Å; C1240-Y1316 HydrophobicContact CB-CE1 3.96Å; C1240-Y1316 HydrophobicContact CB-CE2 3.8Å; C1240-Y1316 PolarHBondContact N-O 3.2Å; C1240-Y1316 VanDerWaalsContact O-CD1 3.31Å; C1240-Y1316 WeakPolarHBondContact O-CD1 3.19Å; C1240-Y1316 PolarHBondContact O-N 3.33Å; C1240-C1318 HydrophobicContact CB-CB 3.7Å; C1240-C1318 WeakPolarHBondContact CB-SG 3.49Å; C1240-C1318 PolarHBondContact N-SG 2.96Å; C1240-C1318 WeakPolarHBondContact SG-CB 3.23Å; C1240-C1318 CovalentContact SG-SG 2.03Å; C1240-C1318 PolarHBondContact SG-SG 3.11Å
1241	F	79.4	Confident	64.4	Low	135 Å²	135	77.7 Å²	77.7	59%	0.592	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-91.8	148.6	165.9	-61.4	-84.9	0	0	0	109.5	P1315	F1241-P1315 HydrophobicContact CD1-CB 4.09Å; F1241-P1315 HydrophobicContact CE1-CB 3.83Å; F1241-P1315 HydrophobicContact CE1-CG 4.26Å; F1241-P1315 HydrophobicContact CZ-CB 4.36Å
1242	P	69.9	Low	61.5	Low	42 Å²	42	80.3 Å²	80.3	27%	0.273	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-59.4	145.4	163.7	-27.5	41	0	0	0	110	Q1312 K1314 Y1316	P1242-Q1312 VanDerWaalsContact CB-O 3.27Å; P1242-Q1312 WeakPolarHBondContact CB-O 3.02Å; P1242-Q1312 WeakPolarHBondContact CG-O 3.07Å; P1242-K1314 WeakPolarHBondContact CD-O 3.29Å; P1242-Y1316 HydrophobicContact CG-CD1 3.94Å; P1242-Y1316 HydrophobicContact CG-CE1 3.89Å
1243	R	60	Low	58.6	Low	165 Å²	165	79.9 Å²	79.9	62%	0.623	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-101.8	129.5	167.4	-84	-156.6	-169.7	179.9	-0.1	108.2	D1245 M1246	R1243-D1245 WeakPolarHBondContact CB-OD1 3.47Å; R1243-D1245 WeakPolarHBondContact CD-OD2 3.32Å; R1243-D1245 IonicContact NH1-OD2 2.83Å; R1243-D1245 PolarHBondContact NH1-OD2 3.01Å; R1243-D1245 PolarHBondContact O-N 3.23Å; R1243-M1246 HydrophobicContact CB-CB 4.44Å; R1243-M1246 PolarHBondContact O-N 2.89Å
1244	E	51	Low	55.7	Low	130 Å²	130	85.9 Å²	85.9	61%	0.607	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-62.2	-32.3	177.6	-59.5	178.1	169.2	0	0	110.4	M1246 N1313	E1244-M1246 PolarHBondContact O-N 2.87Å; E1244-N1313 PolarHBondContact OE1-ND2 3.32Å
1245	D	40.1	Very low	52.9	Low	109 Å²	109	91.7 Å²	91.7	58%	0.583	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-79.3	0.6	179	51.6	-66.6	0	0	0	116.1	R1243	R1243-D1245 WeakPolarHBondContact CB-OD1 3.47Å; R1243-D1245 WeakPolarHBondContact CD-OD2 3.32Å; R1243-D1245 IonicContact NH1-OD2 2.83Å; R1243-D1245 PolarHBondContact NH1-OD2 3.01Å; R1243-D1245 PolarHBondContact O-N 3.23Å
1246	M	38.9	Very low	50.4	Low	137 Å²	137	94.8 Å²	94.8	68%	0.675	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-126.1	29.7	175.1	-79.2	-166.2	170.2	0	0	114.5	R1243 E1244 E1248	R1243-M1246 HydrophobicContact CB-CB 4.44Å; R1243-M1246 PolarHBondContact O-N 2.89Å; E1244-M1246 PolarHBondContact O-N 2.87Å; M1246-E1248 PolarHBondContact O-N 2.86Å
1247	L	36.3	Very low	48	Very low	109 Å²	109	100.9 Å²	100.9	57%	0.571	55%	0.55	S	S	*	.			trans	-76	65.6	162.6	-84	168.7	0	0	0	111.5	T1249	L1247-T1249 HydrophobicContact CB-CG2 4.36Å; L1247-T1249 HydrophobicContact CD2-CG2 4.45Å; L1247-T1249 PolarHBondContact O-N 2.8Å
1248	E	32.2	Very low	45.8	Very low	175 Å²	175	104.8 Å²	104.8	82%	0.818	58%	0.576	S	S	*	*			trans	-62.1	91.3	158.3	-87.3	-153.1	169.9	0	0	108.5	M1246 T1250	M1246-E1248 PolarHBondContact O-N 2.86Å; E1248-T1250 PolarHBondContact O-N 3.24Å
1249	T	29.4	Very low	43.7	Very low	107 Å²	107	107 Å²	107	66%	0.656	59%	0.592	S	S	*	*			trans	-79.6	68.9	-174.3	33.8	0	0	0	0	110.6	L1247 S1251	L1247-T1249 HydrophobicContact CB-CG2 4.36Å; L1247-T1249 HydrophobicContact CD2-CG2 4.45Å; L1247-T1249 PolarHBondContact O-N 2.8Å; T1249-S1251 PolarHBondContact O-N 3.32Å; T1249-S1251 VanDerWaalsContact O-O 3.11Å
1250	T	27.3	Very low	41.9	Very low	129 Å²	129	112.4 Å²	112.4	79%	0.791	62%	0.618	S	S	*	*			trans	-70.7	22.5	160.3	58.5	0	0	0	0	112.7	E1248	E1248-T1250 PolarHBondContact O-N 3.24Å
1251	S	31.6	Very low	39.8	Very low	96 Å²	96	119.4 Å²	119.4	67%	0.671	65%	0.654	S	S	*	*	S	Bend	trans	-63.5	125.8	151.2	-172.4	0	0	0	0	107.3	T1249 G1253	T1249-S1251 PolarHBondContact O-N 3.32Å; T1249-S1251 VanDerWaalsContact O-O 3.11Å; S1251-G1253 PolarHBondContact O-N 2.9Å
1252	P	31.6	Very low	37.9	Very low	77 Å²	77	119.4 Å²	119.4	50%	0.5	66%	0.658	S	S	.	*			trans	-66.7	140.2	-166.8	27.8	-36	0	0	0	111.3	I1254	P1252-I1254 HydrophobicContact CB-CD1 4.09Å; P1252-I1254 HydrophobicContact CB-CG1 4.13Å; P1252-I1254 HydrophobicContact CG-CD1 4.45Å; P1252-I1254 PolarHBondContact O-N 3.41Å
1253	G	29	Very low	36.5	Very low	88 Å²	88	125.7 Å²	125.7	91%	0.907	68%	0.677	S	S	*	*	S	Bend	trans	-65.3	64.7	170.1	0	0	0	0	0	112.8	S1251	S1251-G1253 PolarHBondContact O-N 2.9Å
1254	I	30.3	Very low	35.5	Very low	129 Å²	129	121.9 Å²	121.9	66%	0.662	67%	0.672	S	S	*	*			trans	-129.8	65.1	177.1	-50.5	173.4	0	0	0	107.2	P1252 P1256	P1252-I1254 HydrophobicContact CB-CD1 4.09Å; P1252-I1254 HydrophobicContact CB-CG1 4.13Å; P1252-I1254 HydrophobicContact CG-CD1 4.45Å; P1252-I1254 PolarHBondContact O-N 3.41Å; I1254-P1256 VanDerWaalsContact O-CD 3.28Å; I1254-P1256 WeakPolarHBondContact O-CD 3.47Å
1255	H	30.3	Very low	34.9	Very low	175 Å²	175	123.8 Å²	123.8	81%	0.81	68%	0.681	S	S	*	*			trans	-61.2	118	138.5	-73.4	-72.2	0	0	0	106.5	I1257	H1255-I1257 PolarHBondContact O-N 3.4Å
1256	P	35.1	Very low	35	Very low	101 Å²	101	123.3 Å²	123.3	66%	0.656	69%	0.686	S	S	*	*			trans	-64.8	110.6	163.9	28	-31.2	0	0	0	106.4	I1254 P1258	I1254-P1256 VanDerWaalsContact O-CD 3.28Å; I1254-P1256 WeakPolarHBondContact O-CD 3.47Å; P1256-P1258 WeakPolarHBondContact O-CD 3.4Å; P1256-P1258 VanDerWaalsContact O-CG 3.22Å; P1256-P1258 WeakPolarHBondContact O-CG 3.17Å
1257	I	33.9	Very low	35.1	Very low	155 Å²	155	123.5 Å²	123.5	80%	0.795	69%	0.689	S	S	*	*			trans	-65.9	104.7	-179.9	-62.5	175.8	0	0	0	108.2	H1255 S1259	H1255-I1257 PolarHBondContact O-N 3.4Å; I1257-S1259 PolarHBondContact O-N 2.98Å
1258	P	33.8	Very low	35.4	Very low	99 Å²	99	127.2 Å²	127.2	64%	0.643	70%	0.701	S	S	*	*			trans	-101	95.5	-169	23.4	-3.9	0	0	0	108.9	P1256 I1260	P1256-P1258 WeakPolarHBondContact O-CD 3.4Å; P1256-P1258 VanDerWaalsContact O-CG 3.22Å; P1256-P1258 WeakPolarHBondContact O-CG 3.17Å; P1258-I1260 PolarHBondContact O-N 3.34Å; P1258-I1260 VanDerWaalsContact O-N 3.16Å
1259	S	34.8	Very low	35.7	Very low	49 Å²	49	124.1 Å²	124.1	34%	0.343	69%	0.69	S	S	.	*			trans	63.5	29.3	148.3	68.4	0	0	0	0	118.6	I1257 L1261 M1262 Y1263	I1257-S1259 PolarHBondContact O-N 2.98Å; S1259-L1261 PolarHBondContact O-N 3.07Å; S1259-L1261 VanDerWaalsContact O-N 3.15Å; S1259-M1262 PolarHBondContact O-N 3.44Å; S1259-Y1263 PolarHBondContact O-N 3.18Å
1260	I	43	Very low	36.6	Very low	142 Å²	142	124.8 Å²	124.8	73%	0.728	69%	0.694	S	S	*	*	H	α-helix	trans	-55.8	-27.4	162.4	-73.1	178.1	0	0	0	111	P1258 M1262	P1258-I1260 PolarHBondContact O-N 3.34Å; P1258-I1260 VanDerWaalsContact O-N 3.16Å; I1260-M1262 VanDerWaalsContact C-N 3.3Å; I1260-M1262 PolarHBondContact O-N 3.02Å
1261	L	37.5	Very low	37.5	Very low	159 Å²	159	129.5 Å²	129.5	83%	0.832	70%	0.697	S	S	*	*	H	α-helix	trans	-80.3	3.4	172.3	-142.7	77.7	0	0	0	115.3	S1259	S1259-L1261 PolarHBondContact O-N 3.07Å; S1259-L1261 VanDerWaalsContact O-N 3.15Å
1262	M	40.3	Very low	38.5	Very low	135 Å²	135	129.4 Å²	129.4	67%	0.665	69%	0.693	S	S	*	*	H	α-helix	trans	-115.6	-19.4	-179.9	-148.4	173.2	77.7	0	0	113.5	S1259 I1260 T1264	S1259-M1262 PolarHBondContact O-N 3.44Å; I1260-M1262 VanDerWaalsContact C-N 3.3Å; I1260-M1262 PolarHBondContact O-N 3.02Å; M1262-T1264 VanDerWaalsContact C-N 3.35Å
1263	Y	39.8	Very low	39.4	Very low	173 Å²	173	135.9 Å²	135.9	68%	0.678	71%	0.707	S	S	*	*	H	α-helix	trans	-78.1	-17.9	172.4	-85.9	-87.2	0	0	0	113.7	S1259 Q1265 S1266	S1259-Y1263 PolarHBondContact O-N 3.18Å; Y1263-Q1265 VanDerWaalsContact C-N 3.31Å; Y1263-Q1265 PolarHBondContact O-N 3.33Å; Y1263-S1266 PolarHBondContact O-N 3.11Å
1264	T	38.9	Very low	40.2	Very low	85 Å²	85	138.2 Å²	138.2	52%	0.521	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.2	-9.2	-176.3	47.7	0	0	0	0	115	M1262	M1262-T1264 VanDerWaalsContact C-N 3.35Å
1265	Q	40.2	Very low	40.9	Very low	171 Å²	171	139.1 Å²	139.1	80%	0.799	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-10.1	175.4	-70.5	-171.8	-20.6	0	0	114.3	Y1263	Y1263-Q1265 VanDerWaalsContact C-N 3.31Å; Y1263-Q1265 PolarHBondContact O-N 3.33Å
1266	S	40.4	Very low	41.6	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	70%	0.7	S	S	*	*	S	Bend	trans	-91.8	-9.2	-176.8	-61.5	0	0	0	0	114.5	Y1263	Y1263-S1266 PolarHBondContact O-N 3.11Å
1267	L	42.8	Very low	42.3	Very low	142 Å²	142	141.5 Å²	141.5	74%	0.743	70%	0.702	S	S	*	*	S	Bend	trans	-91.4	-6.4	-173	-71.3	169.8	0	0	0	114.8
1268	F	41.2	Very low	42.8	Very low	186 Å²	186	142 Å²	142	82%	0.816	71%	0.706	S	S	*	*			trans	-119.8	52.6	-175.5	-75.8	-75.6	0	0	0	113.7
1269	N	38.3	Very low	43.3	Very low	110 Å²	110	142.4 Å²	142.4	59%	0.588	71%	0.706	S	S	*	*			trans	-139.2	78.6	169	-150.7	-26.8	0	0	0	113.2	R1271 V1272	N1269-R1271 PolarHBondContact O-N 3.48Å; N1269-V1272 PolarHBondContact O-N 2.85Å
1270	V	49.6	Very low	43.8	Very low	122 Å²	122	144.3 Å²	144.3	74%	0.739	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-12.2	-174.4	-176.7	0	0	0	0	113.6
1271	R	45.5	Very low	44.1	Very low	227 Å²	227	141.1 Å²	141.1	86%	0.857	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-11.3	-173.7	-149.3	171.8	-172.7	172.9	2	115.2	N1269	N1269-R1271 PolarHBondContact O-N 3.48Å
1272	V	52.7	Low	44.6	Very low	95 Å²	95	138 Å²	138	58%	0.576	71%	0.709	S	S	*	*	S	Bend	trans	-92.8	-24.5	-179	-176.8	0	0	0	0	112.6	N1269 L1274	N1269-V1272 PolarHBondContact O-N 2.85Å; V1272-L1274 PolarHBondContact O-N 3.01Å
1273	W	49.5	Very low	45.4	Very low	212 Å²	212	135.1 Å²	135.1	80%	0.803	70%	0.699	S	S	*	*	S	Bend	trans	-74.3	-24	-172.4	-107.3	84	0	0	0	115
1274	L	47.4	Very low	46.2	Very low	137 Å²	137	129.8 Å²	129.8	72%	0.717	69%	0.687	S	S	*	*	S	Bend	trans	-76	-33.6	178.9	-96.2	71.6	0	0	0	113.1	V1272 R1276	V1272-L1274 PolarHBondContact O-N 3.01Å; L1274-R1276 PolarHBondContact O-N 2.89Å
1275	D	44.9	Very low	47.3	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-10.4	-164	-137.5	40.4	0	0	0	114
1276	R	44.4	Very low	48.2	Very low	192 Å²	192	130.2 Å²	130.2	73%	0.725	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-4.1	175.6	-82.8	-167.5	168.8	-141	-2.2	115	L1274 L1278	L1274-R1276 PolarHBondContact O-N 2.89Å; R1276-L1278 PolarHBondContact O-N 3.32Å; R1276-L1278 VanDerWaalsContact O-N 3.15Å
1277	L	49.3	Very low	49.5	Very low	134 Å²	134	130.4 Å²	130.4	70%	0.702	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-4.5	-176	-98.7	161.7	0	0	0	114.9
1278	L	45.7	Very low	50.5	Low	166 Å²	166	127 Å²	127	87%	0.869	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	0.6	-175.6	-75.6	163.2	0	0	0	115.5	R1276	R1276-L1278 PolarHBondContact O-N 3.32Å; R1276-L1278 VanDerWaalsContact O-N 3.15Å
1279	T	44	Very low	51.7	Low	107 Å²	107	127 Å²	127	66%	0.656	66%	0.659	S	S	*	*	S	Bend	trans	-129.8	20	-172	58	0	0	0	0	115.5
1280	V	45.5	Very low	53.1	Low	90 Å²	90	124.9 Å²	124.9	55%	0.545	66%	0.657	S	S	.	*			trans	-116.5	33.8	-175.9	-159.4	0	0	0	0	112.9
1281	G	47.7	Very low	54.1	Low	74 Å²	74	126.1 Å²	126.1	76%	0.763	65%	0.653	S	S	*	*	S	Bend	trans	-76	-36.1	178.2	0	0	0	0	0	115
1282	S	49.8	Very low	55.4	Low	93 Å²	93	120 Å²	120	65%	0.65	64%	0.637	S	S	*	*	S	Bend	trans	-104.4	-30.8	-170.4	51.2	0	0	0	0	114.7
1283	V	55.4	Low	56	Low	76 Å²	76	120.7 Å²	120.7	46%	0.461	64%	0.635	S	S	.	*	H	α-helix	trans	-73.9	-31.8	-176.4	-179	0	0	0	0	112.1	V1285 F1286 I1287	V1283-V1285 VanDerWaalsContact C-N 3.28Å; V1283-V1285 PolarHBondContact O-N 2.99Å; V1283-F1286 PolarHBondContact O-N 3.37Å; V1283-I1287 HydrophobicContact CG1-CD1 3.7Å; V1283-I1287 HydrophobicContact CG1-CG1 4.09Å; V1283-I1287 PolarHBondContact O-N 2.89Å; V1283-I1287 VanDerWaalsContact O-N 3.11Å
1284	S	57.8	Low	56.8	Low	61 Å²	61	112.1 Å²	112.1	43%	0.427	61%	0.612	S	S	.	*	H	α-helix	trans	-57	-39.5	-177.8	-169.4	0	0	0	0	112.8	T1288	S1284-T1288 WeakPolarHBondContact O-CG2 3.49Å; S1284-T1288 PolarHBondContact O-N 3.37Å; S1284-T1288 PolarHBondContact O-OG1 2.85Å
1285	V	61.3	Low	57.7	Low	95 Å²	95	109.9 Å²	109.9	58%	0.576	60%	0.599	S	S	*	*	H	α-helix	trans	-70.8	-35.9	-177.9	-179.1	0	0	0	0	111.9	V1283 T1288 R1289	V1283-V1285 VanDerWaalsContact C-N 3.28Å; V1283-V1285 PolarHBondContact O-N 2.99Å; V1285-T1288 PolarHBondContact O-OG1 3.09Å; V1285-R1289 WeakPolarHBondContact O-CB 3.37Å; V1285-R1289 PolarHBondContact O-N 3.03Å
1286	F	60.1	Low	58.4	Low	170 Å²	170	107.1 Å²	107.1	75%	0.746	58%	0.583	S	S	*	*	H	α-helix	trans	-71.5	-41	177	-110.6	-83.8	0	0	0	111.7	V1283 A1290	V1283-F1286 PolarHBondContact O-N 3.37Å; F1286-A1290 VanDerWaalsContact O-CB 3.32Å; F1286-A1290 WeakPolarHBondContact O-CB 3.42Å; F1286-A1290 PolarHBondContact O-N 2.94Å
1287	I	66.4	Low	58.7	Low	102 Å²	102	107.3 Å²	107.3	52%	0.523	58%	0.584	S	S	.	*	H	α-helix	trans	-67.3	-46.7	176.8	-64	179.9	0	0	0	110.7	V1283 R1289 A1290 F1291	V1283-I1287 HydrophobicContact CG1-CD1 3.7Å; V1283-I1287 HydrophobicContact CG1-CG1 4.09Å; V1283-I1287 PolarHBondContact O-N 2.89Å; V1283-I1287 VanDerWaalsContact O-N 3.11Å; I1287-R1289 PolarHBondContact O-N 2.9Å; I1287-A1290 PolarHBondContact O-N 3.34Å; I1287-F1291 WeakPolarHBondContact O-CB 3.25Å; I1287-F1291 PolarHBondContact O-N 2.73Å
1288	T	65.3	Low	58.8	Low	70 Å²	70	106 Å²	106	43%	0.429	58%	0.577	S	S	.	*	H	α-helix	trans	-64.7	-38.4	177.3	52.9	0	0	0	0	112.3	S1284 V1285 F1291 I1292	S1284-T1288 WeakPolarHBondContact O-CG2 3.49Å; S1284-T1288 PolarHBondContact O-N 3.37Å; S1284-T1288 PolarHBondContact O-OG1 2.85Å; V1285-T1288 PolarHBondContact O-OG1 3.09Å; T1288-F1291 PolarHBondContact O-N 2.93Å; T1288-I1292 WeakPolarHBondContact O-CB 3.18Å; T1288-I1292 WeakPolarHBondContact O-CD1 3.3Å; T1288-I1292 WeakPolarHBondContact O-CG1 2.93Å; T1288-I1292 PolarHBondContact O-N 2.73Å
1289	R	64.8	Low	59	Low	185 Å²	185	103.3 Å²	103.3	70%	0.698	56%	0.562	S	S	*	*	H	α-helix	trans	-66.4	-37	175.3	-167.8	172.3	-174.8	170.4	1.5	112.4	V1285 I1287 M1293	V1285-R1289 WeakPolarHBondContact O-CB 3.37Å; V1285-R1289 PolarHBondContact O-N 3.03Å; I1287-R1289 PolarHBondContact O-N 2.9Å; R1289-M1293 WeakPolarHBondContact O-CB 3.44Å; R1289-M1293 VanDerWaalsContact O-CG 3.24Å; R1289-M1293 WeakPolarHBondContact O-CG 3.25Å; R1289-M1293 PolarHBondContact O-N 3.33Å
1290	A	68.4	Low	59	Low	67 Å²	67	101.8 Å²	101.8	55%	0.554	56%	0.561	S	S	*	*	H	α-helix	trans	-66.6	-42	172.3	0	0	0	0	0	112	F1286 I1287 M1293 G1294	F1286-A1290 VanDerWaalsContact O-CB 3.32Å; F1286-A1290 WeakPolarHBondContact O-CB 3.42Å; F1286-A1290 PolarHBondContact O-N 2.94Å; I1287-A1290 PolarHBondContact O-N 3.34Å; A1290-M1293 PolarHBondContact O-N 2.82Å; A1290-G1294 PolarHBondContact O-N 2.96Å
1291	F	71.1	Confident	58.9	Low	147 Å²	147	102.8 Å²	102.8	65%	0.645	57%	0.567	S	S	*	*	H	α-helix	trans	-64.6	-43.9	176.6	-127.2	-90.4	0	0	0	112	I1287 T1288 G1294 M1295	I1287-F1291 WeakPolarHBondContact O-CB 3.25Å; I1287-F1291 PolarHBondContact O-N 2.73Å; T1288-F1291 PolarHBondContact O-N 2.93Å; F1291-G1294 PolarHBondContact O-N 3.25Å; F1291-M1295 HydrophobicContact CD1-CG 4.36Å; F1291-M1295 WeakPolarHBondContact O-CB 3.47Å; F1291-M1295 WeakPolarHBondContact O-CG 3.48Å; F1291-M1295 PolarHBondContact O-N 2.87Å
1292	I	71.6	Confident	58.4	Low	100 Å²	100	103 Å²	103	51%	0.513	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-43.7	177.3	-70.1	164.3	0	0	0	110.6	T1288 G1294 M1295 I1296	T1288-I1292 WeakPolarHBondContact O-CB 3.18Å; T1288-I1292 WeakPolarHBondContact O-CD1 3.3Å; T1288-I1292 WeakPolarHBondContact O-CG1 2.93Å; T1288-I1292 PolarHBondContact O-N 2.73Å; I1292-G1294 VanDerWaalsContact C-N 3.3Å; I1292-G1294 PolarHBondContact O-N 2.69Å; I1292-M1295 PolarHBondContact O-N 2.78Å; I1292-I1296 HydrophobicContact CG2-CD1 3.69Å; I1292-I1296 HydrophobicContact CG2-CG1 4.4Å; I1292-I1296 WeakPolarHBondContact O-CB 3.49Å; I1292-I1296 WeakPolarHBondContact O-CG1 3.38Å; I1292-I1296 PolarHBondContact O-N 2.62Å
1293	M	66.8	Low	57.5	Low	108 Å²	108	101.4 Å²	101.4	53%	0.532	56%	0.555	S	S	.	*	H	α-helix	trans	-67.1	-30.6	174.4	-69.4	-63.3	-63	0	0	112.8	R1289 A1290 R1297	R1289-M1293 WeakPolarHBondContact O-CB 3.44Å; R1289-M1293 VanDerWaalsContact O-CG 3.24Å; R1289-M1293 WeakPolarHBondContact O-CG 3.25Å; R1289-M1293 PolarHBondContact O-N 3.33Å; A1290-M1293 PolarHBondContact O-N 2.82Å; M1293-R1297 WeakPolarHBondContact O-CB 3.44Å; M1293-R1297 PolarHBondContact O-N 2.8Å
1294	G	66.4	Low	56.5	Low	33 Å²	33	105.6 Å²	105.6	34%	0.34	58%	0.575	S	S	.	*	H	α-helix	trans	-67.2	-49.9	172	0	0	0	0	0	112.2	A1290 F1291 I1292 I1296 R1297 I1298	A1290-G1294 PolarHBondContact O-N 2.96Å; F1291-G1294 PolarHBondContact O-N 3.25Å; I1292-G1294 VanDerWaalsContact C-N 3.3Å; I1292-G1294 PolarHBondContact O-N 2.69Å; G1294-I1296 PolarHBondContact O-N 3.42Å; G1294-R1297 PolarHBondContact O-N 3Å; G1294-R1297 VanDerWaalsContact O-N 3.13Å; G1294-I1298 WeakPolarHBondContact O-CG1 3.46Å; G1294-I1298 PolarHBondContact O-N 3.04Å
1295	M	66.1	Low	55.5	Low	90 Å²	90	107.6 Å²	107.6	44%	0.443	58%	0.58	S	S	.	*	H	α-helix	trans	-62.4	-40.9	175.3	-69.4	-60.4	-65.2	0	0	111.9	F1291 I1292 R1297 I1298 I1299	F1291-M1295 HydrophobicContact CD1-CG 4.36Å; F1291-M1295 WeakPolarHBondContact O-CB 3.47Å; F1291-M1295 WeakPolarHBondContact O-CG 3.48Å; F1291-M1295 PolarHBondContact O-N 2.87Å; I1292-M1295 PolarHBondContact O-N 2.78Å; M1295-R1297 VanDerWaalsContact C-N 3.31Å; M1295-R1297 PolarHBondContact O-N 2.86Å; M1295-I1298 PolarHBondContact O-N 3.26Å; M1295-I1298 HydrophobicContact SD-CD1 4.23Å; M1295-I1299 WeakPolarHBondContact O-CB 3.49Å; M1295-I1299 WeakPolarHBondContact O-CD1 3.26Å; M1295-I1299 VanDerWaalsContact O-CG1 3.26Å; M1295-I1299 WeakPolarHBondContact O-CG1 3.44Å; M1295-I1299 PolarHBondContact O-N 3.43Å
1296	I	59.5	Low	54.2	Low	89 Å²	89	111 Å²	111	46%	0.456	60%	0.595	S	S	.	*	H	α-helix	trans	-64	-36.1	173.8	-71	169	0	0	0	111	I1292 G1294 A1300	I1292-I1296 HydrophobicContact CG2-CD1 3.69Å; I1292-I1296 HydrophobicContact CG2-CG1 4.4Å; I1292-I1296 WeakPolarHBondContact O-CB 3.49Å; I1292-I1296 WeakPolarHBondContact O-CG1 3.38Å; I1292-I1296 PolarHBondContact O-N 2.62Å; G1294-I1296 PolarHBondContact O-N 3.42Å; I1296-A1300 WeakPolarHBondContact O-CB 3.22Å; I1296-A1300 PolarHBondContact O-N 3.22Å
1297	R	50	Low	53.2	Low	196 Å²	196	108.6 Å²	108.6	74%	0.74	59%	0.59	S	S	*	*	H	α-helix	trans	-68.2	-36.6	171.9	-87.5	-166.5	171.8	-142.5	-1.8	113.2	M1293 G1294 M1295 V1301	M1293-R1297 WeakPolarHBondContact O-CB 3.44Å; M1293-R1297 PolarHBondContact O-N 2.8Å; G1294-R1297 PolarHBondContact O-N 3Å; G1294-R1297 VanDerWaalsContact O-N 3.13Å; M1295-R1297 VanDerWaalsContact C-N 3.31Å; M1295-R1297 PolarHBondContact O-N 2.86Å; R1297-V1301 WeakPolarHBondContact O-CB 3.37Å; R1297-V1301 WeakPolarHBondContact O-CG2 3.29Å; R1297-V1301 PolarHBondContact O-N 2.94Å; R1297-V1301 VanDerWaalsContact O-N 3.09Å
1298	I	51.5	Low	51.7	Low	108 Å²	108	111.6 Å²	111.6	55%	0.554	61%	0.607	S	S	*	*	H	α-helix	trans	-64.1	-49.8	174.5	-69.2	161.9	0	0	0	109.6	G1294 M1295 A1300 V1301 S1302	G1294-I1298 WeakPolarHBondContact O-CG1 3.46Å; G1294-I1298 PolarHBondContact O-N 3.04Å; M1295-I1298 PolarHBondContact O-N 3.26Å; M1295-I1298 HydrophobicContact SD-CD1 4.23Å; I1298-A1300 PolarHBondContact O-N 2.97Å; I1298-V1301 PolarHBondContact O-N 3.16Å; I1298-V1301 VanDerWaalsContact O-N 3.16Å; I1298-S1302 PolarHBondContact O-N 3.09Å; I1298-S1302 PolarHBondContact O-OG 2.91Å
1299	I	48.8	Very low	50.7	Low	108 Å²	108	111.6 Å²	111.6	55%	0.554	61%	0.607	S	S	*	*	H	α-helix	trans	-64.5	-36.5	179.7	-66.6	164.4	0	0	0	112.1	M1295 V1301 S1302	M1295-I1299 WeakPolarHBondContact O-CB 3.49Å; M1295-I1299 WeakPolarHBondContact O-CD1 3.26Å; M1295-I1299 VanDerWaalsContact O-CG1 3.26Å; M1295-I1299 WeakPolarHBondContact O-CG1 3.44Å; M1295-I1299 PolarHBondContact O-N 3.43Å; I1299-V1301 VanDerWaalsContact C-N 3.33Å; I1299-S1302 WeakPolarHBondContact CA-OG 3.47Å; I1299-S1302 PolarHBondContact O-OG 3.44Å
1300	A	44.5	Very low	49.7	Very low	76 Å²	76	106.2 Å²	106.2	63%	0.628	59%	0.592	S	S	*	*	H	α-helix	trans	-79.5	-10.6	177	0	0	0	0	0	114.1	I1296 I1298	I1296-A1300 WeakPolarHBondContact O-CB 3.22Å; I1296-A1300 PolarHBondContact O-N 3.22Å; I1298-A1300 PolarHBondContact O-N 2.97Å
1301	V	43.9	Very low	48.7	Very low	111 Å²	111	108.2 Å²	108.2	67%	0.673	60%	0.599	S	S	*	*	H	α-helix	trans	-93.6	-25.6	170.7	168.6	0	0	0	0	111.1	R1297 I1298 I1299 G1303	R1297-V1301 WeakPolarHBondContact O-CB 3.37Å; R1297-V1301 WeakPolarHBondContact O-CG2 3.29Å; R1297-V1301 PolarHBondContact O-N 2.94Å; R1297-V1301 VanDerWaalsContact O-N 3.09Å; I1298-V1301 PolarHBondContact O-N 3.16Å; I1298-V1301 VanDerWaalsContact O-N 3.16Å; I1299-V1301 VanDerWaalsContact C-N 3.33Å; V1301-G1303 PolarHBondContact O-N 3.37Å
1302	S	37.8	Very low	47.7	Very low	77 Å²	77	106.8 Å²	106.8	54%	0.538	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	27.3	168.2	59.8	0	0	0	0	113.7	I1298 I1299	I1298-S1302 PolarHBondContact O-N 3.09Å; I1298-S1302 PolarHBondContact O-OG 2.91Å; I1299-S1302 WeakPolarHBondContact CA-OG 3.47Å; I1299-S1302 PolarHBondContact O-OG 3.44Å
1303	G	30.4	Very low	46.9	Very low	60 Å²	60	105 Å²	105	62%	0.619	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-1.2	-176.5	0	0	0	0	0	115.6	V1301	V1301-G1303 PolarHBondContact O-N 3.37Å
1304	D	34.6	Very low	46.7	Very low	165 Å²	165	104.7 Å²	104.7	88%	0.882	58%	0.582	S	S	*	*	S	Bend	trans	-135.9	24.4	-172.3	-122.9	-3.5	0	0	0	111.3
1305	L	36.5	Very low	46.8	Very low	102 Å²	102	105 Å²	105	53%	0.534	58%	0.577	S	S	.	*			trans	-109.5	58.3	-176.2	-84.9	164.9	0	0	0	111.9	D1307	L1305-D1307 PolarHBondContact O-N 3.27Å
1306	N	34.4	Very low	47.2	Very low	166 Å²	166	104.5 Å²	104.5	89%	0.888	57%	0.571	S	S	*	*			trans	-86.5	47.5	166.2	-79.9	8.5	0	0	0	111.3
1307	D	37.5	Very low	48	Very low	121 Å²	121	101.4 Å²	101.4	65%	0.647	56%	0.555	S	S	*	*			trans	-125.4	56.3	172.3	-102.3	-0.2	0	0	0	107.3	L1305 V1309	L1305-D1307 PolarHBondContact O-N 3.27Å; D1307-V1309 PolarHBondContact O-N 3.32Å
1308	D	36.4	Very low	49.5	Very low	164 Å²	164	92.7 Å²	92.7	88%	0.877	52%	0.524	S	S	*	.			trans	-72.7	59.9	178.8	-95.5	-27.5	0	0	0	111.4
1309	V	42.9	Very low	51.1	Low	70 Å²	70	88.8 Å²	88.8	42%	0.424	50%	0.504	S	S	.	.			trans	-113.4	100.4	170.3	-176.3	0	0	0	0	107.7	D1307 K1314	D1307-V1309 PolarHBondContact O-N 3.32Å; V1309-K1314 HydrophobicContact CG1-CD 4.41Å; V1309-K1314 HydrophobicContact CG1-CG 3.89Å; V1309-K1314 WeakPolarHBondContact O-CE 3.47Å
1310	D	43.8	Very low	53	Low	73 Å²	73	85.7 Å²	85.7	39%	0.39	49%	0.486	S	S	.	.			trans	-45.4	124	175.7	-175.9	-20.4	0	0	0	109.2	Q1312 N1313	D1310-Q1312 PolarHBondContact O-N 2.98Å; D1310-Q1312 VanDerWaalsContact OD1-CB 3.3Å; D1310-Q1312 WeakPolarHBondContact OD1-CB 3.49Å; D1310-Q1312 WeakPolarHBondContact OD1-CG 3.49Å; D1310-Q1312 PolarHBondContact OD1-N 3.13Å; D1310-Q1312 PolarHBondContact OD1-NE2 3.11Å; D1310-Q1312 PolarHBondContact OD2-NE2 2.73Å; D1310-Q1312 VanDerWaalsContact OD2-NE2 3.13Å; D1310-N1313 PolarHBondContact O-N 3.03Å
1311	P	47.5	Very low	55.2	Low	109 Å²	109	83.2 Å²	83.2	71%	0.708	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-54.4	-19.5	176.1	23.1	-34.9	0	0	0	114
1312	Q	50.5	Low	57.4	Low	116 Å²	116	78 Å²	78	54%	0.542	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-78.2	-22.1	176.6	-60.8	178.4	108	0	0	114.5	P1242 D1310	P1242-Q1312 VanDerWaalsContact CB-O 3.27Å; P1242-Q1312 WeakPolarHBondContact CB-O 3.02Å; P1242-Q1312 WeakPolarHBondContact CG-O 3.07Å; D1310-Q1312 PolarHBondContact O-N 2.98Å; D1310-Q1312 VanDerWaalsContact OD1-CB 3.3Å; D1310-Q1312 WeakPolarHBondContact OD1-CB 3.49Å; D1310-Q1312 WeakPolarHBondContact OD1-CG 3.49Å; D1310-Q1312 PolarHBondContact OD1-N 3.13Å; D1310-Q1312 PolarHBondContact OD1-NE2 3.11Å; D1310-Q1312 PolarHBondContact OD2-NE2 2.73Å; D1310-Q1312 VanDerWaalsContact OD2-NE2 3.13Å
1313	N	55.9	Low	59.9	Low	62 Å²	62	76.2 Å²	76.2	33%	0.332	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-107	18.9	-176.4	-85.5	-16.7	0	0	0	113.8	E1244 D1310	E1244-N1313 PolarHBondContact OE1-ND2 3.32Å; D1310-N1313 PolarHBondContact O-N 3.03Å
1314	K	62.3	Low	62.9	Low	103 Å²	103	73.4 Å²	73.4	45%	0.448	39%	0.385	S	S	.	.			trans	-77.4	133.7	177	-67.5	-176.1	179.5	-179.7	0	111.4	P1242 V1309	P1242-K1314 WeakPolarHBondContact CD-O 3.29Å; V1309-K1314 HydrophobicContact CG1-CD 4.41Å; V1309-K1314 HydrophobicContact CG1-CG 3.89Å; V1309-K1314 WeakPolarHBondContact O-CE 3.47Å
1315	P	69.1	Low	65.6	Low	38 Å²	38	65.9 Å²	65.9	25%	0.247	34%	0.344	C	S	.	.			trans	-64.7	140.7	178.8	26.5	-34.1	0	0	0	111.4	W523 T1239 C1240 F1241	W523-P1315 HydrophobicContact CH2-CG 3.82Å; W523-P1315 HydrophobicContact CZ2-CB 4.4Å; W523-P1315 HydrophobicContact CZ2-CG 4.05Å; W523-P1315 HydrophobicContact CZ3-CG 4.43Å; T1239-P1315 HydrophobicContact CG2-CB 4.31Å; C1240-P1315 WeakPolarHBondContact O-CA 3.34Å; F1241-P1315 HydrophobicContact CD1-CB 4.09Å; F1241-P1315 HydrophobicContact CE1-CB 3.83Å; F1241-P1315 HydrophobicContact CE1-CG 4.26Å; F1241-P1315 HydrophobicContact CZ-CB 4.36Å
1316	Y	73.4	Confident	68.3	Low	80 Å²	80	62.8 Å²	62.8	31%	0.314	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.1	177.1	64.4	-85.7	0	0	0	110.6	C1240 P1242 C1318 K1399	C1240-Y1316 HydrophobicContact CB-CD2 4.36Å; C1240-Y1316 HydrophobicContact CB-CE1 3.96Å; C1240-Y1316 HydrophobicContact CB-CE2 3.8Å; C1240-Y1316 PolarHBondContact N-O 3.2Å; C1240-Y1316 VanDerWaalsContact O-CD1 3.31Å; C1240-Y1316 WeakPolarHBondContact O-CD1 3.19Å; C1240-Y1316 PolarHBondContact O-N 3.33Å; P1242-Y1316 HydrophobicContact CG-CD1 3.94Å; P1242-Y1316 HydrophobicContact CG-CE1 3.89Å; Y1316-C1318 HydrophobicContact CD2-CB 4.47Å; Y1316-C1318 HydrophobicContact CE2-CB 4.1Å; Y1316-K1399 PolarHBondContact OH-NZ 2.97Å
1317	Q	75.6	Confident	70.9	Confident	24 Å²	24	55.9 Å²	55.9	11%	0.112	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.4	174.8	-171.2	-165.1	16.2	0	0	110.3	L524 F1236 G1238	L524-Q1317 HydrophobicContact CD2-CB 4.03Å; L524-Q1317 VanDerWaalsContact CD2-OE1 3.27Å; F1236-Q1317 PolarHBondContact O-NE2 3.33Å; G1238-Q1317 WeakPolarHBondContact O-CA 3.33Å
1318	C	83	Confident	73.1	Confident	14 Å²	14	51.1 Å²	51.1	10%	0.095	26%	0.264	C	S	.	.			trans	-133.2	175	175.6	61.6	0	0	0	0	109.7	G1238 C1240 Y1316 K1399	G1238-C1318 PolarHBondContact O-N 3.19Å; G1238-C1318 PolarHBondContact O-SG 3.18Å; G1238-C1318 VanDerWaalsContact O-SG 3.41Å; C1240-C1318 HydrophobicContact CB-CB 3.7Å; C1240-C1318 WeakPolarHBondContact CB-SG 3.49Å; C1240-C1318 PolarHBondContact N-SG 2.96Å; C1240-C1318 WeakPolarHBondContact SG-CB 3.23Å; C1240-C1318 CovalentContact SG-SG 2.03Å; C1240-C1318 PolarHBondContact SG-SG 3.11Å; Y1316-C1318 HydrophobicContact CD2-CB 4.47Å; Y1316-C1318 HydrophobicContact CE2-CB 4.1Å; C1318-K1399 HydrophobicContact CB-CG 4.39Å
1319	I	84.4	Confident	75	Confident	26 Å²	26	44 Å²	44	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	140.6	163	-61.5	168.7	0	0	0	106.9	Y1234 D1235 F1236 D1400 V1401	Y1234-I1319 HydrophobicContact CD1-CG2 4.08Å; D1235-I1319 CarbonylContact O-C 3.47Å; D1235-I1319 WeakPolarHBondContact O-CA 3.26Å; F1236-I1319 HydrophobicContact CD1-CD1 3.71Å; F1236-I1319 HydrophobicContact CD1-CG1 3.75Å; F1236-I1319 HydrophobicContact CD1-CG2 4.29Å; F1236-I1319 HydrophobicContact CE1-CD1 3.79Å; F1236-I1319 HydrophobicContact CE1-CG1 4.26Å; F1236-I1319 HydrophobicContact CE1-CG2 4.38Å; I1319-D1400 PolarHBondContact O-N 2.82Å; I1319-V1401 WeakPolarHBondContact CD1-O 3.47Å
1320	K	88.8	Confident	76.1	Confident	42 Å²	42	41.1 Å²	41.1	18%	0.183	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.7	170.2	-64.4	175.4	-178.5	175	0	110.1	Y1234 D1235 T1239 P1397 V1398	Y1234-K1320 WeakPolarHBondContact CA-O 3.43Å; D1235-K1320 HydrophobicContact CB-CB 4.19Å; D1235-K1320 PolarHBondContact N-O 3.1Å; D1235-K1320 PolarHBondContact O-N 3.23Å; T1239-K1320 WeakPolarHBondContact O-CE 3.49Å; T1239-K1320 PolarHBondContact O-NZ 3.46Å; K1320-P1397 HydrophobicContact CB-CB 4.21Å; K1320-P1397 HydrophobicContact CD-CB 3.88Å; K1320-V1398 CarbonylContact C-O 3.57Å; K1320-V1398 WeakPolarHBondContact CA-O 3.09Å
1321	L	90	Very high	77.5	Confident	24 Å²	24	41.2 Å²	41.2	13%	0.126	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.9	168.6	174.7	57.8	0	0	0	109.1	K1232 Y1234 V1398 D1400	K1232-L1321 HydrophobicContact CB-CD1 3.91Å; K1232-L1321 HydrophobicContact CG-CD1 4.32Å; Y1234-L1321 HydrophobicContact CD1-CB 4.41Å; Y1234-L1321 HydrophobicContact CD1-CD1 4.17Å; Y1234-L1321 HydrophobicContact CE1-CB 4.27Å; Y1234-L1321 HydrophobicContact CE1-CD1 3.84Å; Y1234-L1321 HydrophobicContact CE1-CG 4.43Å; L1321-V1398 PolarHBondContact N-O 3.41Å; L1321-V1398 PolarHBondContact O-N 3.16Å; L1321-D1400 HydrophobicContact CB-CB 3.71Å
1322	I	90.3	Very high	79.1	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.3	177.5	-49.9	177.9	0	0	0	107.2	N569 D1233 D1235 R1395 P1397	N569-I1322 HydrophobicContact CB-CD1 4.16Å; D1233-I1322 HydrophobicContact CB-CB 4.24Å; D1233-I1322 PolarHBondContact N-O 2.91Å; D1233-I1322 PolarHBondContact O-N 3.27Å; D1235-I1322 HydrophobicContact CB-CD1 4.22Å; I1322-R1395 WeakPolarHBondContact CG2-O 3.43Å; I1322-P1397 HydrophobicContact CD1-CB 4.25Å; I1322-P1397 HydrophobicContact CD1-CG 3.99Å; I1322-P1397 HydrophobicContact CG1-CB 3.84Å; I1322-P1397 HydrophobicContact CG1-CG 3.92Å
1323	H	91.2	Very high	80.6	Confident	41 Å²	41	31.4 Å²	31.4	19%	0.19	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.6	176.8	-71	83	0	0	0	109.5	V1230 Y1325 R1394 R1395	V1230-H1323 HydrophobicContact CG1-CB 4.1Å; H1323-Y1325 HydrophobicContact CB-CE2 4.03Å; H1323-Y1325 WeakPolarHBondContact O-CD2 3.47Å; H1323-Y1325 WeakPolarHBondContact O-CE2 3.39Å; H1323-R1394 WeakPolarHBondContact CB-O 3.46Å; H1323-R1395 PolarHBondContact N-O 3.37Å; H1323-R1395 WeakPolarHBondContact O-CG 3.48Å
1324	R	92.6	Very high	81.1	Confident	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.1	177.4	-60.8	-170.8	-169.9	-119.4	-2.8	110.2	V566 D568 N569 H571 T572 V1230 L1231 D1233	V566-R1324 PolarHBondContact O-NH1 3.32Å; V566-R1324 PolarHBondContact O-NH2 3.13Å; D568-R1324 IonicContact OD1-NH1 2.86Å; N569-R1324 PolarHBondContact OD1-NH2 2.9Å; H571-R1324 PolarHBondContact O-NH1 2.98Å; T572-R1324 HydrophobicContact CG2-CB 3.83Å; V1230-R1324 CarbonylContact C-O 3.55Å; V1230-R1324 WeakPolarHBondContact CA-O 3.37Å; L1231-R1324 PolarHBondContact N-O 3.48Å; L1231-R1324 PolarHBondContact O-N 3.31Å; D1233-R1324 HydrophobicContact CB-CG 4.39Å; D1233-R1324 IonicContact OD2-CZ 2.73Å; D1233-R1324 IonicContact OD2-NE 3.93Å; D1233-R1324 PolarHBondContact OD2-NE 2.97Å; D1233-R1324 IonicContact OD2-NH2 3.33Å; D1233-R1324 PolarHBondContact OD2-NH2 2.83Å
1325	Y	92.7	Very high	81.2	Confident	7 Å²	7	26.2 Å²	26.2	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140	175.1	-63.4	-98.9	0	0	0	109	A1192 F1210 M1219 V1223 G1229 V1230 H1323 R1394 R1395	A1192-Y1325 WeakPolarHBondContact CA-O 3.49Å; F1210-Y1325 HydrophobicContact CE1-CD2 4.47Å; F1210-Y1325 HydrophobicContact CE1-CE2 4.06Å; F1210-Y1325 HydrophobicContact CE2-CD1 4.3Å; F1210-Y1325 AromaticContact CE2-CD2 3.65Å; F1210-Y1325 HydrophobicContact CE2-CD2 3.65Å; F1210-Y1325 HydrophobicContact CE2-CE2 4.05Å; F1210-Y1325 AromaticContact CE2-CG 3.81Å; F1210-Y1325 HydrophobicContact CE2-CG 3.81Å; F1210-Y1325 HydrophobicContact CZ-CD1 4.05Å; F1210-Y1325 AromaticContact CZ-CD2 3.52Å; F1210-Y1325 HydrophobicContact CZ-CD2 3.52Å; F1210-Y1325 AromaticContact CZ-CE1 3.93Å; F1210-Y1325 HydrophobicContact CZ-CE1 3.93Å; F1210-Y1325 AromaticContact CZ-CE2 3.41Å; F1210-Y1325 HydrophobicContact CZ-CE2 3.41Å; F1210-Y1325 VanDerWaalsContact CZ-CE2 3.41Å; F1210-Y1325 AromaticContact CZ-CG 3.86Å; F1210-Y1325 HydrophobicContact CZ-CG 3.86Å; F1210-Y1325 AromaticContact CZ-CZ 3.63Å; M1219-Y1325 HydrophobicContact CE-CD1 3.39Å; M1219-Y1325 HydrophobicContact CE-CE1 4.02Å; M1219-Y1325 HydrophobicContact CE-CG 4.02Å; V1223-Y1325 HydrophobicContact CG2-CD1 4.43Å; V1223-Y1325 HydrophobicContact CG2-CE1 4.42Å; G1229-Y1325 WeakPolarHBondContact O-CA 3.48Å; V1230-Y1325 HydrophobicContact CB-CD1 4.46Å; V1230-Y1325 HydrophobicContact CB-CE1 4.36Å; V1230-Y1325 HydrophobicContact CG1-CD1 4.27Å; V1230-Y1325 HydrophobicContact CG1-CE1 3.96Å; V1230-Y1325 HydrophobicContact CG1-CE2 4.39Å; V1230-Y1325 HydrophobicContact CG2-CD1 3.67Å; V1230-Y1325 HydrophobicContact CG2-CE1 3.5Å; H1323-Y1325 HydrophobicContact CB-CE2 4.03Å; H1323-Y1325 WeakPolarHBondContact O-CD2 3.47Å; H1323-Y1325 WeakPolarHBondContact O-CE2 3.39Å; Y1325-R1394 WeakPolarHBondContact CE2-O 3.5Å; Y1325-R1394 PolarHBondContact OH-O 2.82Å; Y1325-R1395 HydrophobicContact CD2-CG 4.26Å; Y1325-R1395 HydrophobicContact CE2-CB 4.06Å; Y1325-R1395 HydrophobicContact CE2-CG 4.26Å
1326	Y	91.5	Very high	80.4	Confident	37 Å²	37	35 Å²	35	15%	0.145	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139.5	-179.1	66.4	-89.4	0	0	0	111.8	F563 T572 D1191 Y1228 G1229 L1231 L1328	F563-Y1326 AromaticContact CE1-CD1 3.92Å; F563-Y1326 HydrophobicContact CE1-CD1 3.92Å; F563-Y1326 AromaticContact CE1-CD2 3.82Å; F563-Y1326 HydrophobicContact CE1-CD2 3.82Å; F563-Y1326 AromaticContact CE1-CE1 3.82Å; F563-Y1326 HydrophobicContact CE1-CE1 3.82Å; F563-Y1326 AromaticContact CE1-CE2 3.74Å; F563-Y1326 HydrophobicContact CE1-CE2 3.74Å; F563-Y1326 AromaticContact CE1-CG 3.92Å; F563-Y1326 HydrophobicContact CE1-CG 3.92Å; F563-Y1326 AromaticContact CE1-CZ 3.74Å; F563-Y1326 HydrophobicContact CZ-CD1 4.49Å; F563-Y1326 HydrophobicContact CZ-CD2 4.28Å; F563-Y1326 AromaticContact CZ-CE1 3.94Å; F563-Y1326 HydrophobicContact CZ-CE1 3.94Å; F563-Y1326 AromaticContact CZ-CE2 3.71Å; F563-Y1326 HydrophobicContact CZ-CE2 3.71Å; F563-Y1326 AromaticContact CZ-CZ 3.52Å; T572-Y1326 HydrophobicContact CG2-CD1 4.05Å; T572-Y1326 HydrophobicContact CG2-CG 4.31Å; T572-Y1326 WeakPolarHBondContact O-CB 3.4Å; D1191-Y1326 CarbonylContact O-C 3.58Å; D1191-Y1326 VanDerWaalsContact O-CA 3.25Å; D1191-Y1326 WeakPolarHBondContact O-CA 3.46Å; Y1228-Y1326 CarbonylContact C-O 3.49Å; Y1228-Y1326 VanDerWaalsContact CA-O 3.29Å; Y1228-Y1326 WeakPolarHBondContact CA-O 3.28Å; G1229-Y1326 VanDerWaalsContact C-CE1 3.47Å; G1229-Y1326 PolarHBondContact N-O 3.36Å; G1229-Y1326 PolarHBondContact O-N 2.93Å; L1231-Y1326 HydrophobicContact CB-CD1 4.39Å; L1231-Y1326 HydrophobicContact CB-CE1 4.19Å; Y1326-L1328 HydrophobicContact CE2-CD2 3.83Å; Y1326-L1328 HydrophobicContact CE2-CG 4.27Å
1327	S	88.9	Confident	79.4	Confident	20 Å²	20	34 Å²	34	14%	0.14	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.9	177.2	176.5	0	0	0	0	111.6	D1191 N1329	D1191-S1327 PolarHBondContact O-N 2.04Å; S1327-N1329 PolarHBondContact O-N 2.68Å; S1327-N1329 PolarHBondContact OG-N 3.08Å
1328	L	83.7	Confident	78	Confident	21 Å²	21	38.2 Å²	38.2	11%	0.11	20%	0.199	C	C	.	.	S	Bend	trans	-80.7	9.5	176.5	-74.5	157	0	0	0	113.3	H1226 V1227 Y1326 I1340 N1341	H1226-L1328 HydrophobicContact CB-CD1 4.06Å; H1226-L1328 WeakPolarHBondContact O-CD1 3.21Å; V1227-L1328 PolarHBondContact O-N 2.84Å; V1227-L1328 VanDerWaalsContact O-N 3.13Å; Y1326-L1328 HydrophobicContact CE2-CD2 3.83Å; Y1326-L1328 HydrophobicContact CE2-CG 4.27Å; L1328-I1340 WeakPolarHBondContact CD2-O 3.27Å; L1328-N1341 PolarHBondContact O-OD1 3.41Å; L1328-N1341 VanDerWaalsContact O-OD1 3.11Å
1329	N	76.3	Confident	76.5	Confident	16 Å²	16	42.5 Å²	42.5	9%	0.086	23%	0.229	C	C	.	.			trans	-98.6	73	167.5	-170.9	15.4	0	0	0	112.9	S1327 E1331 F1344 S1366	S1327-N1329 PolarHBondContact O-N 2.68Å; S1327-N1329 PolarHBondContact OG-N 3.08Å; N1329-E1331 PolarHBondContact O-N 3.07Å; N1329-F1344 HydrophobicContact CB-CE1 4.25Å; N1329-S1366 WeakPolarHBondContact ND2-CB 3.24Å; N1329-S1366 PolarHBondContact ND2-OG 2.84Å
1330	G	66	Low	74.8	Confident	8 Å²	8	42.4 Å²	42.4	8%	0.082	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-68.5	10.6	177.2	0	0	0	0	0	117.4	L1332 Y1333 G1334 T1335 N1341	G1330-L1332 PolarHBondContact O-N 2.85Å; G1330-Y1333 PolarHBondContact O-N 2.72Å; G1330-G1334 PolarHBondContact O-N 2.89Å; G1330-T1335 PolarHBondContact O-N 3.33Å; G1330-T1335 PolarHBondContact O-OG1 3.01Å; G1330-N1341 WeakPolarHBondContact CA-OD1 3.25Å; G1330-N1341 PolarHBondContact N-OD1 3.44Å
1331	E	73.4	Confident	73	Confident	75 Å²	75	41.7 Å²	41.7	35%	0.35	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-54	-34.7	174.6	-83.9	-159.1	-178.5	0	0	112.6	N1329 Y1333 G1334 N1345	N1329-E1331 PolarHBondContact O-N 3.07Å; E1331-Y1333 VanDerWaalsContact C-N 3.28Å; E1331-Y1333 PolarHBondContact O-N 3.06Å; E1331-G1334 PolarHBondContact O-N 3.07Å; E1331-N1345 PolarHBondContact OE1-ND2 3.09Å
1332	L	80.6	Confident	71.1	Confident	11 Å²	11	45 Å²	45	6%	0.058	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-62.3	-32.3	-178.1	-178.6	62.3	0	0	0	113.9	F998 N999 I1001 G1330 N1371	F998-L1332 PolarHBondContact N-O 2.86Å; N999-L1332 HydrophobicContact CB-CD1 4.42Å; I1001-L1332 HydrophobicContact CD1-CD2 3.79Å; I1001-L1332 HydrophobicContact CD1-CG 4.47Å; G1330-L1332 PolarHBondContact O-N 2.85Å; L1332-N1371 HydrophobicContact CD2-CB 3.62Å
1333	Y	82.1	Confident	69.2	Low	9 Å²	9	46.7 Å²	46.7	4%	0.035	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-104.8	-0.3	-177.1	-65.2	-71.1	0	0	0	113.2	Y573 D996 F998 G1330 E1331	Y573-Y1333 HydrophobicContact CD1-CE1 4.21Å; Y573-Y1333 HydrophobicContact CD1-CE2 4.14Å; Y573-Y1333 AromaticContact CD1-CZ 3.89Å; Y573-Y1333 AromaticContact CD2-CD1 3.6Å; Y573-Y1333 HydrophobicContact CD2-CD1 3.6Å; Y573-Y1333 HydrophobicContact CD2-CD2 4.03Å; Y573-Y1333 AromaticContact CD2-CE1 3.85Å; Y573-Y1333 HydrophobicContact CD2-CE1 3.85Å; Y573-Y1333 HydrophobicContact CD2-CE2 4.25Å; Y573-Y1333 AromaticContact CD2-CG 3.7Å; Y573-Y1333 HydrophobicContact CD2-CG 3.7Å; Y573-Y1333 HydrophobicContact CE1-CE1 4.22Å; Y573-Y1333 AromaticContact CE2-CD1 3.78Å; Y573-Y1333 HydrophobicContact CE2-CD1 3.78Å; Y573-Y1333 AromaticContact CE2-CE1 3.86Å; Y573-Y1333 HydrophobicContact CE2-CE1 3.86Å; Y573-Y1333 HydrophobicContact CE2-CG 4.34Å; Y573-Y1333 HydrophobicContact CG-CD1 4.13Å; Y573-Y1333 AromaticContact CG-CD2 3.9Å; Y573-Y1333 HydrophobicContact CG-CD2 3.9Å; Y573-Y1333 HydrophobicContact CG-CE1 4.04Å; Y573-Y1333 AromaticContact CG-CE2 3.8Å; Y573-Y1333 HydrophobicContact CG-CE2 3.8Å; Y573-Y1333 HydrophobicContact CG-CG 4.07Å; Y573-Y1333 AromaticContact CG-CZ 3.88Å; D996-Y1333 HydrophobicContact CB-CD1 4.08Å; D996-Y1333 HydrophobicContact CB-CE1 4.19Å; F998-Y1333 WeakPolarHBondContact CE2-O 3.27Å; G1330-Y1333 PolarHBondContact O-N 2.72Å; E1331-Y1333 VanDerWaalsContact C-N 3.28Å; E1331-Y1333 PolarHBondContact O-N 3.06Å
1334	G	68.1	Low	67.7	Low	43 Å²	43	44.8 Å²	44.8	44%	0.443	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	12	170.7	0	0	0	0	0	115.7	G1330 E1331 R1336	G1330-G1334 PolarHBondContact O-N 2.89Å; E1331-G1334 PolarHBondContact O-N 3.07Å; G1334-R1336 PolarHBondContact O-N 2.96Å
1335	T	63.7	Low	66.2	Low	12 Å²	12	47.8 Å²	47.8	7%	0.074	27%	0.272	C	S	.	.			trans	-86.5	84.6	-175.6	38.2	0	0	0	0	112.4	I561 V574 G1330 N1337 N1341	I561-T1335 HydrophobicContact CG2-CG2 4.29Å; V574-T1335 HydrophobicContact CB-CG2 4.13Å; V574-T1335 HydrophobicContact CG1-CG2 3.94Å; V574-T1335 VanDerWaalsContact O-CG2 3.24Å; V574-T1335 WeakPolarHBondContact O-CG2 3.06Å; G1330-T1335 PolarHBondContact O-N 3.33Å; G1330-T1335 PolarHBondContact O-OG1 3.01Å; T1335-N1337 PolarHBondContact O-N 3.44Å; T1335-N1341 PolarHBondContact O-ND2 3.4Å; T1335-N1341 PolarHBondContact OG1-ND2 3.12Å
1336	R	52.4	Low	65	Low	222 Å²	222	53 Å²	53	84%	0.838	30%	0.296	S	S	*	.			trans	-81.9	51.5	167.8	-77.4	-169.9	170.3	-173.6	-2.5	113	G1334 P1338	G1334-R1336 PolarHBondContact O-N 2.96Å; R1336-P1338 WeakPolarHBondContact O-CD 3.38Å
1337	N	51.9	Low	64.6	Low	60 Å²	60	55.4 Å²	55.4	32%	0.321	31%	0.305	S	S	.	.			trans	-94.1	109.3	168.1	-169.5	-8.9	0	0	0	108.8	T1335 S1339 I1340 N1341	T1335-N1337 PolarHBondContact O-N 3.44Å; N1337-S1339 PolarHBondContact O-N 3.03Å; N1337-S1339 VanDerWaalsContact O-N 3.14Å; N1337-S1339 PolarHBondContact OD1-N 3.15Å; N1337-S1339 PolarHBondContact OD1-OG 2.96Å; N1337-S1339 VanDerWaalsContact OD1-OG 3.14Å; N1337-I1340 HydrophobicContact CB-CD1 4.19Å; N1337-I1340 PolarHBondContact O-N 2.72Å; N1337-N1341 PolarHBondContact O-N 2.84Å
1338	P	45.5	Very low	64.5	Low	112 Å²	112	55.7 Å²	55.7	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.2	-172.7	28.1	-36.2	0	0	0	113.7	R1336 I1340	R1336-P1338 WeakPolarHBondContact O-CD 3.38Å; P1338-I1340 PolarHBondContact O-N 2.94Å
1339	S	51.4	Low	64.9	Low	105 Å²	105	61.3 Å²	61.3	73%	0.734	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.4	178.1	-34.2	0	0	0	0	113.9	N1337	N1337-S1339 PolarHBondContact O-N 3.03Å; N1337-S1339 VanDerWaalsContact O-N 3.14Å; N1337-S1339 PolarHBondContact OD1-N 3.15Å; N1337-S1339 PolarHBondContact OD1-OG 2.96Å; N1337-S1339 VanDerWaalsContact OD1-OG 3.14Å
1340	I	50.2	Low	65.6	Low	24 Å²	24	61.2 Å²	61.2	12%	0.123	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-49.9	-171.5	-59.4	156.3	0	0	0	110.4	Y540 L1328 N1337 P1338 V1342	Y540-I1340 HydrophobicContact CE1-CD1 3.74Å; Y540-I1340 HydrophobicContact CE1-CG1 4.01Å; Y540-I1340 HydrophobicContact CE2-CD1 4.1Å; Y540-I1340 VanDerWaalsContact CZ-CD1 3.44Å; Y540-I1340 VanDerWaalsContact OH-CD1 3.26Å; Y540-I1340 WeakPolarHBondContact OH-CD1 3.41Å; Y540-I1340 WeakPolarHBondContact OH-CG1 3.2Å; L1328-I1340 WeakPolarHBondContact CD2-O 3.27Å; N1337-I1340 HydrophobicContact CB-CD1 4.19Å; N1337-I1340 PolarHBondContact O-N 2.72Å; P1338-I1340 PolarHBondContact O-N 2.94Å; I1340-V1342 PolarHBondContact O-N 2.7Å
1341	N	49.7	Very low	66.8	Low	26 Å²	26	66.2 Å²	66.2	14%	0.139	35%	0.353	C	S	.	.			trans	-95.9	95.2	-177.9	-72.1	-47.6	0	0	0	110.8	L1328 G1330 T1335 N1337 G1343	L1328-N1341 PolarHBondContact O-OD1 3.41Å; L1328-N1341 VanDerWaalsContact O-OD1 3.11Å; G1330-N1341 WeakPolarHBondContact CA-OD1 3.25Å; G1330-N1341 PolarHBondContact N-OD1 3.44Å; T1335-N1341 PolarHBondContact O-ND2 3.4Å; T1335-N1341 PolarHBondContact OG1-ND2 3.12Å; N1337-N1341 PolarHBondContact O-N 2.84Å; N1341-G1343 PolarHBondContact O-N 3.08Å
1342	V	50	Low	67.5	Low	95 Å²	95	63.8 Å²	63.8	58%	0.576	34%	0.342	S	S	*	.			trans	-73	70.8	162	-170.2	0	0	0	0	107.8	I1340 F1344	I1340-V1342 PolarHBondContact O-N 2.7Å; V1342-F1344 PolarHBondContact O-N 3.41Å
1343	G	51.5	Low	67.6	Low	35 Å²	35	67.4 Å²	67.4	36%	0.361	37%	0.368	S	S	.	.			trans	-60.9	88.6	-168.8	0	0	0	0	0	113.5	N1341 N1345	N1341-G1343 PolarHBondContact O-N 3.08Å; G1343-N1345 VanDerWaalsContact C-N 3.3Å; G1343-N1345 PolarHBondContact O-N 2.97Å
1344	F	58.7	Low	67.4	Low	1 Å²	1	67.7 Å²	67.7	0%	0.004	37%	0.372	C	S	.	.			trans	-79.8	75.8	-174	65.7	-85.7	0	0	0	111.9	V1227 N1329 V1342 H1346 I1348 V1364 L1373	V1227-F1344 HydrophobicContact CG1-CE1 4.29Å; V1227-F1344 HydrophobicContact CG1-CE2 4.32Å; V1227-F1344 HydrophobicContact CG1-CZ 3.67Å; N1329-F1344 HydrophobicContact CB-CE1 4.25Å; V1342-F1344 PolarHBondContact O-N 3.41Å; F1344-H1346 PolarHBondContact O-N 3.07Å; F1344-I1348 HydrophobicContact CB-CD1 3.65Å; F1344-I1348 HydrophobicContact CB-CG1 4.06Å; F1344-I1348 HydrophobicContact CD1-CD1 3.93Å; F1344-I1348 HydrophobicContact CD2-CD1 3.75Å; F1344-I1348 HydrophobicContact CD2-CG1 4.1Å; F1344-I1348 HydrophobicContact CE2-CD1 4.4Å; F1344-I1348 HydrophobicContact CG-CD1 3.51Å; F1344-I1348 HydrophobicContact CG-CG1 4.18Å; F1344-V1364 HydrophobicContact CE2-CG1 4.15Å; F1344-L1373 HydrophobicContact CE2-CD2 4.18Å; F1344-L1373 HydrophobicContact CZ-CD1 4.04Å; F1344-L1373 HydrophobicContact CZ-CD2 3.9Å
1345	N	61	Low	67.5	Low	64 Å²	64	69.6 Å²	69.6	34%	0.342	38%	0.376	S	S	.	.			trans	-69	-6.9	163.1	-72.6	-49.1	0	0	0	112.3	E1331 G1343	E1331-N1345 PolarHBondContact OE1-ND2 3.09Å; G1343-N1345 VanDerWaalsContact C-N 3.3Å; G1343-N1345 PolarHBondContact O-N 2.97Å
1346	H	68.8	Low	67.8	Low	116 Å²	116	77.3 Å²	77.3	54%	0.537	41%	0.411	S	S	.	.	S	Bend	trans	-94.4	157.6	170.1	65.3	-88.6	0	0	0	111.4	F1344 I1348	F1344-H1346 PolarHBondContact O-N 3.07Å; H1346-I1348 PolarHBondContact O-N 3.16Å
1347	R	82.4	Confident	68.5	Low	88 Å²	88	75.9 Å²	75.9	33%	0.332	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-75.3	117	175.2	-175.5	174.7	-178.5	171.3	-1.5	109.1	E1176 S1363 V1364 Q1365	E1176-R1347 IonicContact OE1-NH1 3.23Å; E1176-R1347 PolarHBondContact OE1-NH1 3.04Å; E1176-R1347 IonicContact OE2-CZ 3.7Å; E1176-R1347 VanDerWaalsContact OE2-CZ 3.23Å; E1176-R1347 IonicContact OE2-NH1 2.68Å; E1176-R1347 PolarHBondContact OE2-NH1 3.17Å; E1176-R1347 IonicContact OE2-NH2 2.74Å; E1176-R1347 PolarHBondContact OE2-NH2 3.38Å; R1347-S1363 PolarHBondContact NE-OG 3.4Å; R1347-S1363 VanDerWaalsContact NE-OG 3.08Å; R1347-S1363 PolarHBondContact NH2-OG 3.42Å; R1347-V1364 CarbonylContact C-O 3.5Å; R1347-V1364 WeakPolarHBondContact CA-O 3.5Å; R1347-Q1365 HydrophobicContact CB-CB 4.38Å; R1347-Q1365 HydrophobicContact CG-CB 4.49Å
1348	I	88.1	Confident	69.7	Low	27 Å²	27	78.4 Å²	78.4	14%	0.138	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	146.4	170	-66.6	175.7	0	0	0	108	V1227 F1344 H1346 W1362 S1363 V1364	V1227-I1348 HydrophobicContact CG2-CD1 4.36Å; V1227-I1348 HydrophobicContact CG2-CG2 4.39Å; F1344-I1348 HydrophobicContact CB-CD1 3.65Å; F1344-I1348 HydrophobicContact CB-CG1 4.06Å; F1344-I1348 HydrophobicContact CD1-CD1 3.93Å; F1344-I1348 HydrophobicContact CD2-CD1 3.75Å; F1344-I1348 HydrophobicContact CD2-CG1 4.1Å; F1344-I1348 HydrophobicContact CE2-CD1 4.4Å; F1344-I1348 HydrophobicContact CG-CD1 3.51Å; F1344-I1348 HydrophobicContact CG-CG1 4.18Å; H1346-I1348 PolarHBondContact O-N 3.16Å; I1348-W1362 HydrophobicContact CG2-CH2 4.07Å; I1348-W1362 HydrophobicContact CG2-CZ3 4.07Å; I1348-S1363 CarbonylContact O-C 3.57Å; I1348-S1363 WeakPolarHBondContact O-CA 3.45Å; I1348-S1363 WeakPolarHBondContact O-CB 3.25Å; I1348-V1364 HydrophobicContact CB-CG1 3.92Å; I1348-V1364 HydrophobicContact CG2-CG1 4.43Å; I1348-V1364 PolarHBondContact N-O 2.7Å; I1348-V1364 PolarHBondContact O-N 3.24Å
1349	Q	91.3	Very high	71.5	Confident	139 Å²	139	76.3 Å²	76.3	65%	0.65	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.8	177.9	-54.9	-170.4	-65.4	0	0	109.7	W1362	Q1349-W1362 WeakPolarHBondContact CA-O 3.39Å
1350	G	91.8	Very high	73.3	Confident	13 Å²	13	71.7 Å²	71.7	13%	0.134	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	178.2	177.2	0	0	0	0	0	111.2	W1362	G1350-W1362 PolarHBondContact N-O 2.67Å; G1350-W1362 PolarHBondContact O-N 3.07Å; G1350-W1362 VanDerWaalsContact O-O 3.04Å
1351	F	90.5	Very high	75.3	Confident	114 Å²	114	74.4 Å²	74.4	50%	0.5	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.7	178.8	64	-89	0	0	0	110.8	S1353 N1359 R1360 D1361	F1351-S1353 WeakPolarHBondContact CE2-OG 3.41Å; F1351-N1359 HydrophobicContact CB-CB 4.31Å; F1351-N1359 HydrophobicContact CD2-CB 4.41Å; F1351-N1359 WeakPolarHBondContact CD2-ND2 3.34Å; F1351-R1360 WeakPolarHBondContact CA-O 3.4Å; F1351-D1361 WeakPolarHBondContact CB-OD1 3.41Å
1352	I	87.5	Confident	77.4	Confident	24 Å²	24	73.4 Å²	73.4	12%	0.123	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.6	172.9	-53.6	160.1	0	0	0	107.2	D1217 L1218 C1354 N1359 R1360	D1217-I1352 HydrophobicContact CB-CD1 4.39Å; D1217-I1352 HydrophobicContact CB-CG2 4.16Å; L1218-I1352 HydrophobicContact CB-CD1 4.02Å; L1218-I1352 HydrophobicContact CD1-CD1 4.1Å; I1352-C1354 PolarHBondContact O-N 2.99Å; I1352-N1359 WeakPolarHBondContact O-CA 3.36Å; I1352-R1360 HydrophobicContact CB-CB 4.32Å; I1352-R1360 PolarHBondContact N-O 3.27Å; I1352-R1360 PolarHBondContact O-N 2.86Å
1353	S	83.6	Confident	79.5	Confident	86 Å²	86	69.3 Å²	69.3	60%	0.601	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	100.6	-179.4	-62.6	0	0	0	0	111	F1351	F1351-S1353 WeakPolarHBondContact CE2-OG 3.41Å
1354	C	77.6	Confident	81.5	Confident	16 Å²	16	67.7 Å²	67.7	11%	0.108	34%	0.336	C	S	.	.			trans	-79	165.5	172.3	-60.1	0	0	0	0	111.9	I1352 R1358 C1384	I1352-C1354 PolarHBondContact O-N 2.99Å; C1354-R1358 VanDerWaalsContact CB-O 3.29Å; C1354-R1358 WeakPolarHBondContact CB-O 3.4Å; C1354-R1358 PolarHBondContact N-O 3.23Å; C1354-R1358 VanDerWaalsContact N-O 3.15Å; C1354-C1384 HydrophobicContact CB-CB 3.98Å; C1354-C1384 WeakPolarHBondContact CB-SG 3.35Å; C1354-C1384 WeakPolarHBondContact SG-CB 3.33Å; C1354-C1384 CovalentContact SG-SG 2.04Å; C1354-C1384 PolarHBondContact SG-SG 2.95Å
1355	P	70.1	Confident	82.9	Confident	83 Å²	83	70 Å²	70	54%	0.539	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-50.1	155	165.8	-27.2	36.6	0	0	0	112.6	Q1357	P1355-Q1357 PolarHBondContact O-N 3.15Å
1356	Q	69.8	Low	84.1	Confident	173 Å²	173	67.4 Å²	67.4	81%	0.808	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	64.7	27.2	-179.1	-46.9	-175.1	9.2	0	0	115.9	R1358	Q1356-R1358 PolarHBondContact O-N 3.08Å; Q1356-R1358 VanDerWaalsContact O-N 3.16Å
1357	Q	67.1	Low	84.8	Confident	193 Å²	193	62.4 Å²	62.4	90%	0.902	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	61.9	16.9	176.1	-58	-174.8	-34.2	0	0	115.2	P1355 N1359	P1355-Q1357 PolarHBondContact O-N 3.15Å; Q1357-N1359 PolarHBondContact O-N 2.91Å
1358	R	76.3	Confident	84.7	Confident	113 Å²	113	60.9 Å²	60.9	43%	0.426	31%	0.309	S	S	.	.			trans	-84.9	105.6	172.7	-169.3	175.3	-174.3	-179.9	2.3	109.2	C1354 Q1356 F1381 E1383	C1354-R1358 VanDerWaalsContact CB-O 3.29Å; C1354-R1358 WeakPolarHBondContact CB-O 3.4Å; C1354-R1358 PolarHBondContact N-O 3.23Å; C1354-R1358 VanDerWaalsContact N-O 3.15Å; Q1356-R1358 PolarHBondContact O-N 3.08Å; Q1356-R1358 VanDerWaalsContact O-N 3.16Å; R1358-F1381 VanDerWaalsContact CD-CD2 3.47Å; R1358-F1381 HydrophobicContact CG-CD2 3.97Å; R1358-F1381 HydrophobicContact CG-CE2 3.84Å; R1358-F1381 VanDerWaalsContact CZ-CD1 3.46Å; R1358-F1381 VanDerWaalsContact CZ-CG 3.41Å; R1358-F1381 VanDerWaalsContact NH2-CD1 3.31Å; R1358-E1383 IonicContact NH1-OE2 2.67Å; R1358-E1383 PolarHBondContact NH1-OE2 2.85Å
1359	N	85.2	Confident	84.4	Confident	68 Å²	68	60 Å²	60	36%	0.364	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	143.7	167.5	-75.7	6.5	0	0	0	110	F1351 I1352 Q1357	F1351-N1359 HydrophobicContact CB-CB 4.31Å; F1351-N1359 HydrophobicContact CD2-CB 4.41Å; F1351-N1359 WeakPolarHBondContact CD2-ND2 3.34Å; I1352-N1359 WeakPolarHBondContact O-CA 3.36Å; Q1357-N1359 PolarHBondContact O-N 2.91Å
1360	R	88.4	Confident	84.2	Confident	8 Å²	8	53.8 Å²	53.8	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	104.6	170	-176.3	-170	169.4	-150.9	-5.4	107.1	D1215 F1351 I1352 D1378 F1381	D1215-R1360 IonicContact OD1-CZ 2.67Å; D1215-R1360 IonicContact OD1-NH1 3.88Å; D1215-R1360 PolarHBondContact OD1-NH1 3.3Å; D1215-R1360 IonicContact OD2-CZ 3.05Å; D1215-R1360 IonicContact OD2-NH1 2.61Å; D1215-R1360 PolarHBondContact OD2-NH1 3.11Å; D1215-R1360 IonicContact OD2-NH2 3.81Å; D1215-R1360 PolarHBondContact OD2-NH2 2.9Å; F1351-R1360 WeakPolarHBondContact CA-O 3.4Å; I1352-R1360 HydrophobicContact CB-CB 4.32Å; I1352-R1360 PolarHBondContact N-O 3.27Å; I1352-R1360 PolarHBondContact O-N 2.86Å; R1360-D1378 HydrophobicContact CG-CB 3.71Å; R1360-D1378 PolarHBondContact NE-O 3.27Å; R1360-D1378 PolarHBondContact NH2-O 2.67Å; R1360-D1378 VanDerWaalsContact NH2-O 3.08Å; R1360-F1381 HydrophobicContact CB-CE2 4.05Å; R1360-F1381 HydrophobicContact CG-CE2 4.23Å
1361	D	91.6	Very high	84.2	Confident	81 Å²	81	53.5 Å²	53.5	43%	0.433	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	144.7	-170.8	-65.6	-20.8	0	0	0	110.9	F1351 T1377 D1378	F1351-D1361 WeakPolarHBondContact CB-OD1 3.41Å; D1361-T1377 CarbonylContact O-C 3.46Å; D1361-T1377 WeakPolarHBondContact O-CA 3.38Å; D1361-T1377 PolarHBondContact O-OG1 3.15Å; D1361-D1378 PolarHBondContact N-OD2 2.93Å; D1361-D1378 PolarHBondContact O-N 2.72Å
1362	W	94.5	Very high	84.2	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.019	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.9	174.6	65.4	-99.8	0	0	0	112.5	L1218 S1221 L1222 N1225 V1227 I1348 Q1349 G1350 V1364 L1375 I1376	L1218-W1362 HydrophobicContact CD1-CB 3.78Å; L1218-W1362 HydrophobicContact CD1-CD2 4.28Å; L1218-W1362 HydrophobicContact CD1-CG 3.62Å; S1221-W1362 PolarHBondContact OG-NE1 2.93Å; L1222-W1362 HydrophobicContact CD2-CD2 4.34Å; L1222-W1362 HydrophobicContact CD2-CE3 3.8Å; L1222-W1362 HydrophobicContact CD2-CH2 3.88Å; L1222-W1362 HydrophobicContact CD2-CZ2 4.35Å; L1222-W1362 HydrophobicContact CD2-CZ3 3.57Å; N1225-W1362 HydrophobicContact CB-CH2 3.73Å; N1225-W1362 HydrophobicContact CB-CZ2 4.02Å; V1227-W1362 HydrophobicContact CG2-CH2 4.25Å; V1227-W1362 HydrophobicContact CG2-CZ3 4.41Å; I1348-W1362 HydrophobicContact CG2-CH2 4.07Å; I1348-W1362 HydrophobicContact CG2-CZ3 4.07Å; Q1349-W1362 WeakPolarHBondContact CA-O 3.39Å; G1350-W1362 PolarHBondContact N-O 2.67Å; G1350-W1362 PolarHBondContact O-N 3.07Å; G1350-W1362 VanDerWaalsContact O-O 3.04Å; W1362-V1364 HydrophobicContact CZ3-CB 4.43Å; W1362-V1364 HydrophobicContact CZ3-CG1 3.95Å; W1362-L1375 HydrophobicContact CB-CD1 4.38Å; W1362-L1375 HydrophobicContact CE3-CD1 4.22Å; W1362-I1376 CarbonylContact C-O 3.6Å; W1362-I1376 VanDerWaalsContact CA-O 3.28Å; W1362-I1376 WeakPolarHBondContact CA-O 3.25Å
1363	S	94	Very high	84.4	Confident	8 Å²	8	47.1 Å²	47.1	6%	0.056	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	144.1	174.5	62.9	0	0	0	0	111.6	R1347 I1348 I1376	R1347-S1363 PolarHBondContact NE-OG 3.4Å; R1347-S1363 VanDerWaalsContact NE-OG 3.08Å; R1347-S1363 PolarHBondContact NH2-OG 3.42Å; I1348-S1363 CarbonylContact O-C 3.57Å; I1348-S1363 WeakPolarHBondContact O-CA 3.45Å; I1348-S1363 WeakPolarHBondContact O-CB 3.25Å; S1363-I1376 PolarHBondContact N-O 2.77Å; S1363-I1376 PolarHBondContact O-N 3.14Å
1364	V	92.7	Very high	84.8	Confident	1 Å²	1	44 Å²	44	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.5	-175.2	71.2	0	0	0	0	111.3	L1222 V1227 F1344 R1347 I1348 W1362 L1373 L1374 L1375	L1222-V1364 HydrophobicContact CD2-CB 4.44Å; L1222-V1364 HydrophobicContact CD2-CG1 4.38Å; V1227-V1364 HydrophobicContact CB-CG1 4.46Å; V1227-V1364 HydrophobicContact CG1-CG1 3.79Å; V1227-V1364 HydrophobicContact CG1-CG2 4.16Å; V1227-V1364 HydrophobicContact CG2-CG1 3.76Å; F1344-V1364 HydrophobicContact CE2-CG1 4.15Å; R1347-V1364 CarbonylContact C-O 3.5Å; R1347-V1364 WeakPolarHBondContact CA-O 3.5Å; I1348-V1364 HydrophobicContact CB-CG1 3.92Å; I1348-V1364 HydrophobicContact CG2-CG1 4.43Å; I1348-V1364 PolarHBondContact N-O 2.7Å; I1348-V1364 PolarHBondContact O-N 3.24Å; W1362-V1364 HydrophobicContact CZ3-CB 4.43Å; W1362-V1364 HydrophobicContact CZ3-CG1 3.95Å; V1364-L1373 HydrophobicContact CG2-CB 3.85Å; V1364-L1373 HydrophobicContact CG2-CD1 3.98Å; V1364-L1373 HydrophobicContact CG2-CG 4.47Å; V1364-L1374 CarbonylContact C-O 3.52Å; V1364-L1374 VanDerWaalsContact CA-O 3.27Å; V1364-L1374 WeakPolarHBondContact CA-O 3.4Å; V1364-L1374 WeakPolarHBondContact CG2-O 3.04Å; V1364-L1375 HydrophobicContact CB-CD1 4.12Å; V1364-L1375 HydrophobicContact CG2-CB 4.44Å; V1364-L1375 HydrophobicContact CG2-CD1 4.48Å
1365	Q	88.7	Confident	85.6	Confident	50 Å²	50	43.2 Å²	43.2	23%	0.234	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.2	173.5	-170.7	173.3	18.8	0	0	110.9	R1347 L1374	R1347-Q1365 HydrophobicContact CB-CB 4.38Å; R1347-Q1365 HydrophobicContact CG-CB 4.49Å; Q1365-L1374 PolarHBondContact N-O 2.82Å; Q1365-L1374 PolarHBondContact O-N 3.17Å
1366	S	85.6	Confident	86.8	Confident	10 Å²	10	39.8 Å²	39.8	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	137.9	177.4	-171.2	0	0	0	0	112.7	N1329 I1368	N1329-S1366 WeakPolarHBondContact ND2-CB 3.24Å; N1329-S1366 PolarHBondContact ND2-OG 2.84Å; S1366-I1368 PolarHBondContact O-N 3.14Å
1367	I	85.2	Confident	87.9	Confident	11 Å²	11	31.6 Å²	31.6	6%	0.056	16%	0.155	C	C	.	.			trans	-87.2	93.3	177.4	-56.4	177.3	0	0	0	108.3	L28 A31 L1188 G1369 T1370 L1372 L1374	L28-I1367 HydrophobicContact CD2-CD1 3.37Å; L28-I1367 HydrophobicContact CD2-CG1 4Å; L28-I1367 HydrophobicContact CG-CD1 3.92Å; L28-I1367 HydrophobicContact CG-CG1 4.36Å; A31-I1367 HydrophobicContact CB-CG2 4.23Å; L1188-I1367 HydrophobicContact CD2-CD1 3.85Å; I1367-G1369 PolarHBondContact O-N 3.14Å; I1367-T1370 WeakPolarHBondContact CB-OG1 3.49Å; I1367-T1370 HydrophobicContact CG2-CG2 4.07Å; I1367-T1370 PolarHBondContact O-N 3.45Å; I1367-T1370 PolarHBondContact O-OG1 3.41Å; I1367-L1372 HydrophobicContact CB-CB 4.26Å; I1367-L1372 HydrophobicContact CD1-CB 3.82Å; I1367-L1372 HydrophobicContact CD1-CD1 4.29Å; I1367-L1372 HydrophobicContact CG1-CB 4.32Å; I1367-L1372 PolarHBondContact N-O 3.07Å; I1367-L1374 HydrophobicContact CD1-CB 4.45Å; I1367-L1374 HydrophobicContact CG1-CB 4.49Å
1368	I	79.8	Confident	89	Confident	56 Å²	56	23.7 Å²	23.7	29%	0.287	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.6	120.5	-171.4	-61	173.4	0	0	0	112.6	K32 S1366	K32-I1368 WeakPolarHBondContact CB-O 3.46Å; K32-I1368 VanDerWaalsContact CD-O 3.32Å; K32-I1368 WeakPolarHBondContact CD-O 3.48Å; S1366-I1368 PolarHBondContact O-N 3.14Å
1369	G	80.6	Confident	89.5	Confident	9 Å²	9	19.9 Å²	19.9	9%	0.093	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	24.3	178.9	0	0	0	0	0	115.2	N999 I1367	N999-G1369 WeakPolarHBondContact CB-O 3.45Å; I1367-G1369 PolarHBondContact O-N 3.14Å
1370	T	87.5	Confident	89.3	Confident	7 Å²	7	20.1 Å²	20.1	4%	0.043	11%	0.109	C	C	.	.	S	Bend	trans	-133	173.9	166	72.9	0	0	0	0	108.8	L1000 F1002 I1367 L1372	L1000-T1370 WeakPolarHBondContact O-CA 3.42Å; F1002-T1370 HydrophobicContact CD2-CG2 4.26Å; F1002-T1370 HydrophobicContact CE2-CG2 3.59Å; F1002-T1370 HydrophobicContact CZ-CG2 4.44Å; I1367-T1370 WeakPolarHBondContact CB-OG1 3.49Å; I1367-T1370 HydrophobicContact CG2-CG2 4.07Å; I1367-T1370 PolarHBondContact O-N 3.45Å; I1367-T1370 PolarHBondContact O-OG1 3.41Å; T1370-L1372 WeakPolarHBondContact OG1-CB 3.26Å; T1370-L1372 PolarHBondContact OG1-N 3.19Å
1371	N	91.1	Very high	88.9	Confident	7 Å²	7	20.7 Å²	20.7	4%	0.037	11%	0.112	C	C	.	.	S	Bend	trans	-81.8	4.5	166.7	60.6	-31.8	0	0	0	113.8	R993 I1001 F1002 E1190 D1191 L1332	R993-N1371 PolarHBondContact NH2-ND2 3.46Å; I1001-N1371 HydrophobicContact CD1-CB 4.32Å; F1002-N1371 PolarHBondContact N-OD1 3.46Å; F1002-N1371 PolarHBondContact O-ND2 2.87Å; E1190-N1371 CarbonylContact C-O 3.49Å; E1190-N1371 WeakPolarHBondContact CA-O 3.32Å; D1191-N1371 HydrophobicContact CB-CB 4.38Å; D1191-N1371 PolarHBondContact N-O 3.04Å; D1191-N1371 WeakPolarHBondContact OD2-CB 3.45Å; L1332-N1371 HydrophobicContact CD2-CB 3.62Å
1372	L	91.3	Very high	87.9	Confident	4 Å²	4	20.3 Å²	20.3	2%	0.021	12%	0.12	C	C	.	.			trans	-92	142.1	-170.8	-62	-179.4	0	0	0	114.2	F1002 L1188 L1189 I1196 I1367 T1370	F1002-L1372 HydrophobicContact CB-CD1 4.19Å; F1002-L1372 HydrophobicContact CB-CD2 3.9Å; F1002-L1372 HydrophobicContact CB-CG 4.07Å; F1002-L1372 HydrophobicContact CD1-CD1 3.69Å; F1002-L1372 HydrophobicContact CD1-CG 4.47Å; F1002-L1372 HydrophobicContact CD2-CD1 3.9Å; F1002-L1372 HydrophobicContact CD2-CG 4.05Å; F1002-L1372 HydrophobicContact CE1-CD1 3.96Å; F1002-L1372 HydrophobicContact CE2-CD1 4.2Å; F1002-L1372 HydrophobicContact CG-CD1 3.66Å; F1002-L1372 HydrophobicContact CG-CD2 4.3Å; F1002-L1372 HydrophobicContact CG-CG 3.96Å; F1002-L1372 HydrophobicContact CZ-CD1 4.21Å; L1188-L1372 HydrophobicContact CD1-CD1 4.38Å; L1189-L1372 CarbonylContact O-C 3.59Å; L1189-L1372 VanDerWaalsContact O-CA 3.26Å; L1189-L1372 WeakPolarHBondContact O-CA 3.33Å; I1196-L1372 HydrophobicContact CB-CD2 4.17Å; I1196-L1372 HydrophobicContact CG1-CD2 3.78Å; I1196-L1372 HydrophobicContact CG2-CD2 4.26Å; I1367-L1372 HydrophobicContact CB-CB 4.26Å; I1367-L1372 HydrophobicContact CD1-CB 3.82Å; I1367-L1372 HydrophobicContact CD1-CD1 4.29Å; I1367-L1372 HydrophobicContact CG1-CB 4.32Å; I1367-L1372 PolarHBondContact N-O 3.07Å; T1370-L1372 WeakPolarHBondContact OG1-CB 3.26Å; T1370-L1372 PolarHBondContact OG1-N 3.19Å
1373	L	91.5	Very high	86.5	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.3	161	-54.4	-172.2	0	0	0	109.6	L1188 L1189 V1227 Y1228 F1344 V1364	L1188-L1373 WeakPolarHBondContact CA-O 3.44Å; L1189-L1373 PolarHBondContact N-O 2.86Å; L1189-L1373 PolarHBondContact O-N 2.86Å; V1227-L1373 HydrophobicContact CG1-CD1 3.61Å; Y1228-L1373 HydrophobicContact CE1-CD1 4.44Å; Y1228-L1373 HydrophobicContact CE2-CD1 3.76Å; Y1228-L1373 WeakPolarHBondContact OH-CD1 3.33Å; F1344-L1373 HydrophobicContact CE2-CD2 4.18Å; F1344-L1373 HydrophobicContact CZ-CD1 4.04Å; F1344-L1373 HydrophobicContact CZ-CD2 3.9Å; V1364-L1373 HydrophobicContact CG2-CB 3.85Å; V1364-L1373 HydrophobicContact CG2-CD1 3.98Å; V1364-L1373 HydrophobicContact CG2-CG 4.47Å
1374	L	92.3	Very high	85.3	Confident	20 Å²	20	25 Å²	25	11%	0.105	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.6	164.3	171.8	64.2	0	0	0	108.3	L28 L1171 I1174 L1188 V1364 Q1365 I1367 I1376	L28-L1374 HydrophobicContact CD2-CB 4.18Å; L28-L1374 HydrophobicContact CD2-CD1 4.41Å; L28-L1374 HydrophobicContact CD2-CD2 3.92Å; L28-L1374 HydrophobicContact CD2-CG 4.4Å; L1171-L1374 HydrophobicContact CD1-CD1 3.53Å; I1174-L1374 HydrophobicContact CD1-CD2 4.23Å; L1188-L1374 HydrophobicContact CD2-CB 4.31Å; L1188-L1374 HydrophobicContact CD2-CD1 3.98Å; V1364-L1374 CarbonylContact C-O 3.52Å; V1364-L1374 VanDerWaalsContact CA-O 3.27Å; V1364-L1374 WeakPolarHBondContact CA-O 3.4Å; V1364-L1374 WeakPolarHBondContact CG2-O 3.04Å; Q1365-L1374 PolarHBondContact N-O 2.82Å; Q1365-L1374 PolarHBondContact O-N 3.17Å; I1367-L1374 HydrophobicContact CD1-CB 4.45Å; I1367-L1374 HydrophobicContact CG1-CB 4.49Å; L1374-I1376 HydrophobicContact CD1-CG1 4.28Å; L1374-I1376 HydrophobicContact CD2-CD1 4.25Å; L1374-I1376 HydrophobicContact CD2-CG1 4.49Å; L1374-I1376 HydrophobicContact CG-CD1 4.45Å; L1374-I1376 HydrophobicContact CG-CG1 4.15Å
1375	L	94.9	Very high	84	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	173.8	176.8	60.4	0	0	0	109.6	C1186 Y1187 L1189 L1211 L1218 L1222 W1362 V1364	C1186-L1375 VanDerWaalsContact CA-O 3.31Å; C1186-L1375 WeakPolarHBondContact CA-O 3.23Å; Y1187-L1375 HydrophobicContact CD2-CD2 4.44Å; Y1187-L1375 PolarHBondContact N-O 3.2Å; Y1187-L1375 PolarHBondContact O-N 3.03Å; L1189-L1375 HydrophobicContact CD1-CB 4.21Å; L1189-L1375 HydrophobicContact CD1-CD2 3.75Å; L1211-L1375 HydrophobicContact CD2-CD2 3.93Å; L1218-L1375 HydrophobicContact CD2-CD2 3.87Å; L1218-L1375 HydrophobicContact CG-CD2 4.22Å; L1222-L1375 HydrophobicContact CD1-CD2 3.86Å; L1222-L1375 HydrophobicContact CD2-CD1 4.15Å; W1362-L1375 HydrophobicContact CB-CD1 4.38Å; W1362-L1375 HydrophobicContact CE3-CD1 4.22Å; V1364-L1375 HydrophobicContact CB-CD1 4.12Å; V1364-L1375 HydrophobicContact CG2-CB 4.44Å; V1364-L1375 HydrophobicContact CG2-CD1 4.48Å
1376	I	94.5	Very high	82.3	Confident	11 Å²	11	37.2 Å²	37.2	6%	0.056	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.1	176.8	-52.9	-172.7	0	0	0	107.5	E1176 K1184 W1362 S1363 L1374	E1176-I1376 HydrophobicContact CB-CD1 3.98Å; K1184-I1376 HydrophobicContact CB-CG2 4.29Å; K1184-I1376 HydrophobicContact CG-CG2 4.49Å; W1362-I1376 CarbonylContact C-O 3.6Å; W1362-I1376 VanDerWaalsContact CA-O 3.28Å; W1362-I1376 WeakPolarHBondContact CA-O 3.25Å; S1363-I1376 PolarHBondContact N-O 2.77Å; S1363-I1376 PolarHBondContact O-N 3.14Å; L1374-I1376 HydrophobicContact CD1-CG1 4.28Å; L1374-I1376 HydrophobicContact CD2-CD1 4.25Å; L1374-I1376 HydrophobicContact CD2-CG1 4.49Å; L1374-I1376 HydrophobicContact CG-CD1 4.45Å; L1374-I1376 HydrophobicContact CG-CG1 4.15Å
1377	T	93.7	Very high	80.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.1	-177.6	-173.9	0	0	0	0	111.7	K1184 L1185 L1218 D1361	K1184-T1377 WeakPolarHBondContact CA-O 3.5Å; K1184-T1377 WeakPolarHBondContact CD-O 3.46Å; L1185-T1377 HydrophobicContact CB-CG2 4.12Å; L1185-T1377 HydrophobicContact CG-CG2 4.42Å; L1185-T1377 PolarHBondContact N-O 3.47Å; L1185-T1377 WeakPolarHBondContact O-CG2 3.38Å; L1185-T1377 PolarHBondContact O-N 3.02Å; L1218-T1377 HydrophobicContact CD2-CG2 3.85Å; D1361-T1377 CarbonylContact O-C 3.46Å; D1361-T1377 WeakPolarHBondContact O-CA 3.38Å; D1361-T1377 PolarHBondContact O-OG1 3.15Å
1378	D	90.1	Very high	79	Confident	26 Å²	26	46.5 Å²	46.5	14%	0.139	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.8	146.5	159.4	-74.8	-58.4	0	0	0	111.2	K1184 R1360 D1361 F1381	K1184-D1378 WeakPolarHBondContact CD-OD1 3.44Å; K1184-D1378 WeakPolarHBondContact CE-OD1 3.36Å; K1184-D1378 IonicContact NZ-OD1 3.01Å; K1184-D1378 PolarHBondContact NZ-OD1 3.38Å; K1184-D1378 IonicContact NZ-OD2 2.9Å; K1184-D1378 PolarHBondContact NZ-OD2 2.88Å; R1360-D1378 HydrophobicContact CG-CB 3.71Å; R1360-D1378 PolarHBondContact NE-O 3.27Å; R1360-D1378 PolarHBondContact NH2-O 2.67Å; R1360-D1378 VanDerWaalsContact NH2-O 3.08Å; D1361-D1378 PolarHBondContact N-OD2 2.93Å; D1361-D1378 PolarHBondContact O-N 2.72Å; D1378-F1381 HydrophobicContact CB-CE1 4.18Å; D1378-F1381 HydrophobicContact CB-CE2 4.45Å; D1378-F1381 HydrophobicContact CB-CZ 3.65Å
1379	P	85.6	Confident	77.6	Confident	34 Å²	34	48.5 Å²	48.5	22%	0.221	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-60.7	157.8	170.4	28.3	-35.4	0	0	0	110.9	N1183 F1381	N1183-P1379 VanDerWaalsContact O-CD 3.27Å; N1183-P1379 WeakPolarHBondContact O-CD 3.29Å; P1379-F1381 HydrophobicContact CG-CE1 4.24Å; P1379-F1381 WeakPolarHBondContact O-CD1 3.48Å; P1379-F1381 WeakPolarHBondContact O-CE1 3.27Å; P1379-F1381 PolarHBondContact O-N 2.91Å
1380	I	82.4	Confident	76.3	Confident	73 Å²	73	55 Å²	55	37%	0.374	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-60.7	128.7	171.1	-60.2	172.3	0	0	0	108.1
1381	F	78.6	Confident	74.7	Confident	20 Å²	20	59.2 Å²	59.2	9%	0.088	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-92.6	142.2	174	-45.1	-51.6	0	0	0	109.3	R1358 R1360 D1378 P1379 E1383 C1384 E1385	R1358-F1381 VanDerWaalsContact CD-CD2 3.47Å; R1358-F1381 HydrophobicContact CG-CD2 3.97Å; R1358-F1381 HydrophobicContact CG-CE2 3.84Å; R1358-F1381 VanDerWaalsContact CZ-CD1 3.46Å; R1358-F1381 VanDerWaalsContact CZ-CG 3.41Å; R1358-F1381 VanDerWaalsContact NH2-CD1 3.31Å; R1360-F1381 HydrophobicContact CB-CE2 4.05Å; R1360-F1381 HydrophobicContact CG-CE2 4.23Å; D1378-F1381 HydrophobicContact CB-CE1 4.18Å; D1378-F1381 HydrophobicContact CB-CE2 4.45Å; D1378-F1381 HydrophobicContact CB-CZ 3.65Å; P1379-F1381 HydrophobicContact CG-CE1 4.24Å; P1379-F1381 WeakPolarHBondContact O-CD1 3.48Å; P1379-F1381 WeakPolarHBondContact O-CE1 3.27Å; P1379-F1381 PolarHBondContact O-N 2.91Å; F1381-E1383 WeakPolarHBondContact CB-OE2 3.45Å; F1381-E1383 PolarHBondContact O-N 2.93Å; F1381-E1383 VanDerWaalsContact O-N 3.07Å; F1381-C1384 WeakPolarHBondContact O-CA 3.03Å; F1381-C1384 VanDerWaalsContact O-CB 3.29Å; F1381-C1384 WeakPolarHBondContact O-CB 3.23Å; F1381-C1384 PolarHBondContact O-N 3.36Å; F1381-E1385 PolarHBondContact O-N 2.86Å
1382	A	70.5	Confident	73.4	Confident	72 Å²	72	65.5 Å²	65.5	60%	0.595	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.6	-179.9	0	0	0	0	0	113
1383	E	65.7	Low	72.6	Confident	95 Å²	95	65.5 Å²	65.5	44%	0.444	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-19.1	173.8	-50.6	85.4	-174.8	0	0	113.8	R1358 F1381	R1358-E1383 IonicContact NH1-OE2 2.67Å; R1358-E1383 PolarHBondContact NH1-OE2 2.85Å; F1381-E1383 WeakPolarHBondContact CB-OE2 3.45Å; F1381-E1383 PolarHBondContact O-N 2.93Å; F1381-E1383 VanDerWaalsContact O-N 3.07Å
1384	C	68.7	Low	71.7	Confident	17 Å²	17	71.9 Å²	71.9	12%	0.115	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-25.6	173.3	-56.5	0	0	0	0	112.6	C1354 F1381 K1386	C1354-C1384 HydrophobicContact CB-CB 3.98Å; C1354-C1384 WeakPolarHBondContact CB-SG 3.35Å; C1354-C1384 WeakPolarHBondContact SG-CB 3.33Å; C1354-C1384 CovalentContact SG-SG 2.04Å; C1354-C1384 PolarHBondContact SG-SG 2.95Å; F1381-C1384 WeakPolarHBondContact O-CA 3.03Å; F1381-C1384 VanDerWaalsContact O-CB 3.29Å; F1381-C1384 WeakPolarHBondContact O-CB 3.23Å; F1381-C1384 PolarHBondContact O-N 3.36Å; C1384-K1386 PolarHBondContact O-N 2.9Å; C1384-K1386 VanDerWaalsContact O-N 3.09Å
1385	E	65.5	Low	71.3	Confident	116 Å²	116	71.6 Å²	71.6	54%	0.542	35%	0.345	S	S	.	.			trans	-63.1	-21.3	-165.8	-163.9	163	-155.2	0	0	114.2	F1381 K1387 T1388	F1381-E1385 PolarHBondContact O-N 2.86Å; E1385-K1387 VanDerWaalsContact C-N 3.31Å; E1385-K1387 PolarHBondContact O-N 2.75Å; E1385-T1388 PolarHBondContact O-OG1 3.24Å
1386	K	52.3	Low	70.7	Confident	191 Å²	191	74.4 Å²	74.4	83%	0.83	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	65.8	-177.5	-64	-163.2	173.6	-164.5	0	114.1	C1384	C1384-K1386 PolarHBondContact O-N 2.9Å; C1384-K1386 VanDerWaalsContact O-N 3.09Å
1387	K	52.9	Low	70.3	Confident	171 Å²	171	77 Å²	77	74%	0.743	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-168.7	-8.4	159	-113.4	172.7	-176.1	-168.4	0	116.2	E1385 H1389	E1385-K1387 VanDerWaalsContact C-N 3.31Å; E1385-K1387 PolarHBondContact O-N 2.75Å; K1387-H1389 VanDerWaalsContact C-N 3.33Å; K1387-H1389 PolarHBondContact O-N 3.02Å; K1387-H1389 VanDerWaalsContact O-N 3.12Å
1388	T	49.9	Very low	70	Confident	45 Å²	45	80 Å²	80	28%	0.276	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.4	-157.6	52.3	0	0	0	0	117.2	E1385	E1385-T1388 PolarHBondContact O-OG1 3.24Å
1389	H	50	Low	69.8	Low	98 Å²	98	84.9 Å²	84.9	45%	0.454	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.8	-176.5	-81.5	-96	0	0	0	114.8	K1387	K1387-H1389 VanDerWaalsContact C-N 3.33Å; K1387-H1389 PolarHBondContact O-N 3.02Å; K1387-H1389 VanDerWaalsContact O-N 3.12Å
1390	I	52.4	Low	69.9	Low	146 Å²	146	85.7 Å²	85.7	75%	0.749	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-40	-173.1	-54.7	178.4	0	0	0	111.1
1391	N	54.6	Low	70	Confident	95 Å²	95	88 Å²	88	51%	0.508	44%	0.436	S	S	.	.			trans	-109.9	45.5	-173	-68.9	11.3	0	0	0	113	P1216 L1393	P1216-N1391 WeakPolarHBondContact CB-O 3.37Å; N1391-L1393 PolarHBondContact O-N 3.2Å
1392	R	63.1	Low	70.2	Confident	139 Å²	139	87.5 Å²	87.5	53%	0.525	44%	0.436	S	S	.	.			trans	-62.6	120.2	169.4	-81.3	-171.9	173.1	179.8	-0.8	109.9	R1394	R1392-R1394 PolarHBondContact O-N 2.77Å; R1392-R1394 VanDerWaalsContact O-N 3.13Å
1393	L	74.9	Confident	70.9	Confident	4 Å²	4	86.6 Å²	86.6	2%	0.021	42%	0.423	C	S	.	.			trans	-64.3	112.9	178.1	-86.5	170.6	0	0	0	110.1	F1104 F1210 Y1213 M1219 N1220 N1391	F1104-L1393 HydrophobicContact CE1-CD2 4.26Å; F1104-L1393 HydrophobicContact CE2-CD2 4.01Å; F1104-L1393 HydrophobicContact CZ-CD2 3.44Å; F1104-L1393 VanDerWaalsContact CZ-CD2 3.44Å; F1210-L1393 HydrophobicContact CE1-CB 4.26Å; Y1213-L1393 WeakPolarHBondContact CE1-O 3.36Å; M1219-L1393 HydrophobicContact CB-CD1 3.63Å; M1219-L1393 HydrophobicContact CG-CD1 3.55Å; N1220-L1393 WeakPolarHBondContact OD1-CD2 3.27Å; N1391-L1393 PolarHBondContact O-N 3.2Å
1394	R	73.4	Confident	71.8	Confident	136 Å²	136	85.8 Å²	85.8	51%	0.513	42%	0.422	S	S	.	.			trans	-70.1	140.5	-179.1	-59.9	179.2	-174.1	167.8	5.3	109.8	H1323 Y1325 R1392	H1323-R1394 WeakPolarHBondContact CB-O 3.46Å; Y1325-R1394 WeakPolarHBondContact CE2-O 3.5Å; Y1325-R1394 PolarHBondContact OH-O 2.82Å; R1392-R1394 PolarHBondContact O-N 2.77Å; R1392-R1394 VanDerWaalsContact O-N 3.13Å
1395	R	83.9	Confident	72.7	Confident	14 Å²	14	85.9 Å²	85.9	5%	0.053	42%	0.422	C	S	.	.			trans	-136.1	-46.2	170.5	-176.6	-161.4	66.4	170.1	-0	109.8	N1194 F1210 Y1213 I1322 H1323 Y1325	N1194-R1395 PolarHBondContact OD1-NH1 2.9Å; N1194-R1395 VanDerWaalsContact OD1-NH1 3.12Å; F1210-R1395 HydrophobicContact CD1-CB 4.21Å; F1210-R1395 HydrophobicContact CE1-CB 4.17Å; Y1213-R1395 HydrophobicContact CE1-CB 4.45Å; I1322-R1395 WeakPolarHBondContact CG2-O 3.43Å; H1323-R1395 PolarHBondContact N-O 3.37Å; H1323-R1395 WeakPolarHBondContact O-CG 3.48Å; Y1325-R1395 HydrophobicContact CD2-CG 4.26Å; Y1325-R1395 HydrophobicContact CE2-CB 4.06Å; Y1325-R1395 HydrophobicContact CE2-CG 4.26Å
1396	D	82.8	Confident	73.7	Confident	59 Å²	59	80.9 Å²	80.9	32%	0.316	40%	0.4	S	S	.	.	S	Bend	trans	-62.2	154.6	-178.6	-53.9	-24.5	0	0	0	112.5	Y1213 V1398	Y1213-D1396 PolarHBondContact OH-N 2.91Å; Y1213-D1396 VanDerWaalsContact OH-N 3.14Å; Y1213-D1396 PolarHBondContact OH-OD1 3.37Å; Y1213-D1396 PolarHBondContact OH-OD2 2.94Å; D1396-V1398 PolarHBondContact O-N 2.98Å
1397	P	85	Confident	75.3	Confident	64 Å²	64	78 Å²	78	42%	0.416	39%	0.389	S	S	.	.			trans	-67.5	118.1	-173.7	-20.1	33.3	0	0	0	113.4	K1320 I1322	K1320-P1397 HydrophobicContact CB-CB 4.21Å; K1320-P1397 HydrophobicContact CD-CB 3.88Å; I1322-P1397 HydrophobicContact CD1-CB 4.25Å; I1322-P1397 HydrophobicContact CD1-CG 3.99Å; I1322-P1397 HydrophobicContact CG1-CB 3.84Å; I1322-P1397 HydrophobicContact CG1-CG 3.92Å
1398	V	87.3	Confident	76.7	Confident	66 Å²	66	72.7 Å²	72.7	40%	0.4	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.1	177.3	-176.8	0	0	0	0	110.2	K1320 L1321 D1396 D1400	K1320-V1398 CarbonylContact C-O 3.57Å; K1320-V1398 WeakPolarHBondContact CA-O 3.09Å; L1321-V1398 PolarHBondContact N-O 3.41Å; L1321-V1398 PolarHBondContact O-N 3.16Å; D1396-V1398 PolarHBondContact O-N 2.98Å; V1398-D1400 PolarHBondContact O-N 2.91Å
1399	K	87	Confident	78.2	Confident	127 Å²	127	71.2 Å²	71.2	55%	0.552	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	130.7	172.1	178.2	-178.7	172	-177.8	0	110.2	Y1316 C1318	Y1316-K1399 PolarHBondContact OH-NZ 2.97Å; C1318-K1399 HydrophobicContact CB-CG 4.39Å
1400	D	87.5	Confident	79.7	Confident	51 Å²	51	72.3 Å²	72.3	27%	0.273	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	168.3	-176	-166.4	-105	0	0	0	111.9	Y1234 I1319 L1321 V1398 G1402	Y1234-D1400 WeakPolarHBondContact CE1-OD1 3.31Å; I1319-D1400 PolarHBondContact O-N 2.82Å; L1321-D1400 HydrophobicContact CB-CB 3.71Å; V1398-D1400 PolarHBondContact O-N 2.91Å; D1400-G1402 VanDerWaalsContact OD1-CA 3.32Å; D1400-G1402 WeakPolarHBondContact OD1-CA 3.37Å; D1400-G1402 PolarHBondContact OD1-N 3.06Å
1401	V	83.4	Confident	81.2	Confident	123 Å²	123	69 Å²	69	75%	0.745	36%	0.357	S	S	*	.			trans	-86.5	-17.4	173.9	-69.2	0	0	0	0	113.1	R298 I1319	R298-V1401 PolarHBondContact NH2-O 2.89Å; I1319-V1401 WeakPolarHBondContact CD1-O 3.47Å
1402	G	83.8	Confident	82.6	Confident	8 Å²	8	66.8 Å²	66.8	8%	0.082	35%	0.348	C	S	.	.			trans	73.2	175.4	-170.5	0	0	0	0	0	113.1	R298 D1400	R298-G1402 PolarHBondContact NH2-O 2.91Å; D1400-G1402 VanDerWaalsContact OD1-CA 3.32Å; D1400-G1402 WeakPolarHBondContact OD1-CA 3.37Å; D1400-G1402 PolarHBondContact OD1-N 3.06Å
1403	T	83.9	Confident	83.8	Confident	53 Å²	53	64.9 Å²	64.9	33%	0.325	34%	0.341	S	S	.	.	S	Bend	trans	-45.1	143.5	175.9	53	0	0	0	0	114.2	R298 Y1234 V1405	R298-T1403 VanDerWaalsContact CZ-O 3.25Å; R298-T1403 PolarHBondContact NH1-O 3.4Å; R298-T1403 PolarHBondContact NH1-OG1 3.13Å; R298-T1403 PolarHBondContact NH2-O 3.31Å; Y1234-T1403 HydrophobicContact CD2-CG2 4.2Å; Y1234-T1403 HydrophobicContact CE2-CG2 3.74Å; T1403-V1405 PolarHBondContact O-N 2.94Å
1404	D	85.3	Confident	84.5	Confident	79 Å²	79	68.4 Å²	68.4	42%	0.422	35%	0.354	S	S	.	.			trans	-58.5	128.9	-173.8	177.3	32.9	0	0	0	113.4	C1406 E1407 T1408	D1404-C1406 VanDerWaalsContact C-N 3.34Å; D1404-C1406 VanDerWaalsContact CG-N 3.3Å; D1404-C1406 PolarHBondContact OD1-N 3.45Å; D1404-C1406 VanDerWaalsContact OD2-CB 3.29Å; D1404-C1406 WeakPolarHBondContact OD2-CB 3.26Å; D1404-C1406 PolarHBondContact OD2-N 2.93Å; D1404-E1407 HydrophobicContact CB-CB 4.26Å; D1404-E1407 PolarHBondContact OD2-N 3.45Å; D1404-T1408 WeakPolarHBondContact O-CB 3.28Å; D1404-T1408 WeakPolarHBondContact O-CG2 3.44Å; D1404-T1408 PolarHBondContact O-N 2.75Å; D1404-T1408 VanDerWaalsContact O-N 3.14Å; D1404-T1408 PolarHBondContact O-OG1 3.39Å
1405	V	87.7	Confident	85	Confident	19 Å²	19	62.2 Å²	62.2	12%	0.115	33%	0.331	C	S	.	.	H	α-helix	trans	-70.4	-32.8	176.6	-175.1	0	0	0	0	110.7	F289 R298 N299 R302 T1403 T1408 S1409	F289-V1405 HydrophobicContact CE1-CG1 4.28Å; F289-V1405 HydrophobicContact CZ-CG1 4.15Å; R298-V1405 HydrophobicContact CB-CG2 4.02Å; N299-V1405 WeakPolarHBondContact OD1-CG1 3.47Å; R302-V1405 HydrophobicContact CB-CG1 4.11Å; T1403-V1405 PolarHBondContact O-N 2.94Å; V1405-T1408 WeakPolarHBondContact CA-OG1 3Å; V1405-T1408 PolarHBondContact O-OG1 3.5Å; V1405-S1409 VanDerWaalsContact O-CB 3.24Å; V1405-S1409 WeakPolarHBondContact O-CB 3.4Å; V1405-S1409 PolarHBondContact O-N 3.04Å; V1405-S1409 PolarHBondContact O-OG 3.27Å
1406	C	87.3	Confident	84.9	Confident	11 Å²	11	63.8 Å²	63.8	7%	0.074	34%	0.337	C	S	.	.	H	α-helix	trans	-72.3	-47.6	-178.7	-54	0	0	0	0	111.3	C288 D1404 S1409 R1410	C288-C1406 HydrophobicContact CB-CB 3.9Å; C288-C1406 WeakPolarHBondContact CB-SG 3.43Å; C288-C1406 WeakPolarHBondContact SG-CA 3.33Å; C288-C1406 WeakPolarHBondContact SG-CB 3.34Å; C288-C1406 CovalentContact SG-SG 2.03Å; C288-C1406 PolarHBondContact SG-SG 3.21Å; D1404-C1406 VanDerWaalsContact C-N 3.34Å; D1404-C1406 VanDerWaalsContact CG-N 3.3Å; D1404-C1406 PolarHBondContact OD1-N 3.45Å; D1404-C1406 VanDerWaalsContact OD2-CB 3.29Å; D1404-C1406 WeakPolarHBondContact OD2-CB 3.26Å; D1404-C1406 PolarHBondContact OD2-N 2.93Å; C1406-S1409 PolarHBondContact O-N 2.88Å; C1406-S1409 PolarHBondContact O-OG 3.44Å; C1406-R1410 VanDerWaalsContact O-CG 3.3Å; C1406-R1410 WeakPolarHBondContact O-CG 3.46Å; C1406-R1410 PolarHBondContact O-N 3.4Å
1407	E	85.2	Confident	84.4	Confident	130 Å²	130	61.2 Å²	61.2	61%	0.607	32%	0.323	S	S	*	.	H	α-helix	trans	-60.6	-50.5	172.5	-177.3	169.4	-136.2	0	0	112.5	D1404 S1409 R1410 A1411	D1404-E1407 HydrophobicContact CB-CB 4.26Å; D1404-E1407 PolarHBondContact OD2-N 3.45Å; E1407-S1409 PolarHBondContact O-N 3.23Å; E1407-R1410 WeakPolarHBondContact O-CA 3.44Å; E1407-R1410 WeakPolarHBondContact O-CB 3.46Å; E1407-R1410 PolarHBondContact O-N 2.94Å; E1407-A1411 PolarHBondContact O-N 3.42Å
1408	T	82.4	Confident	83.4	Confident	60 Å²	60	59 Å²	59	37%	0.368	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-25.4	178.6	52.6	0	0	0	0	112.9	D1404 V1405 A1411 P1412	D1404-T1408 WeakPolarHBondContact O-CB 3.28Å; D1404-T1408 WeakPolarHBondContact O-CG2 3.44Å; D1404-T1408 PolarHBondContact O-N 2.75Å; D1404-T1408 VanDerWaalsContact O-N 3.14Å; D1404-T1408 PolarHBondContact O-OG1 3.39Å; V1405-T1408 WeakPolarHBondContact CA-OG1 3Å; V1405-T1408 PolarHBondContact O-OG1 3.5Å; T1408-A1411 CarbonylContact O-C 3.55Å; T1408-P1412 VanDerWaalsContact O-CA 3.29Å; T1408-P1412 WeakPolarHBondContact O-CA 3.47Å
1409	S	82.4	Confident	81.8	Confident	13 Å²	13	63.2 Å²	63.2	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-76	-23.7	170.5	82.4	0	0	0	0	114.5	F289 V1405 C1406 E1407	F289-S1409 WeakPolarHBondContact CD1-OG 3.5Å; V1405-S1409 VanDerWaalsContact O-CB 3.24Å; V1405-S1409 WeakPolarHBondContact O-CB 3.4Å; V1405-S1409 PolarHBondContact O-N 3.04Å; V1405-S1409 PolarHBondContact O-OG 3.27Å; C1406-S1409 PolarHBondContact O-N 2.88Å; C1406-S1409 PolarHBondContact O-OG 3.44Å; E1407-S1409 PolarHBondContact O-N 3.23Å
1410	R	81.3	Confident	80.5	Confident	121 Å²	121	59.3 Å²	59.3	46%	0.457	31%	0.308	S	S	.	.	H	α-helix	trans	-80.5	-35	176.1	-68	163	-175.7	168.1	1.1	111.3	I287 C1406 E1407 P1412	I287-R1410 PolarHBondContact O-NH2 2.81Å; C1406-R1410 VanDerWaalsContact O-CG 3.3Å; C1406-R1410 WeakPolarHBondContact O-CG 3.46Å; C1406-R1410 PolarHBondContact O-N 3.4Å; E1407-R1410 WeakPolarHBondContact O-CA 3.44Å; E1407-R1410 WeakPolarHBondContact O-CB 3.46Å; E1407-R1410 PolarHBondContact O-N 2.94Å; R1410-P1412 VanDerWaalsContact C-CD 3.46Å; R1410-P1412 WeakPolarHBondContact O-CD 3.37Å
1411	A	82.4	Confident	78.7	Confident	77 Å²	77	58.8 Å²	58.8	64%	0.636	30%	0.302	S	S	*	.	S	Bend	trans	-121.7	67.2	175.5	0	0	0	0	0	111.6	E1407 T1408	E1407-A1411 PolarHBondContact O-N 3.42Å; T1408-A1411 CarbonylContact O-C 3.55Å
1412	P	84.7	Confident	76.7	Confident	49 Å²	49	56 Å²	56	32%	0.318	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-64.3	144.4	-175.7	27.3	-35.4	0	0	0	112.3	T1408 R1410	T1408-P1412 VanDerWaalsContact O-CA 3.29Å; T1408-P1412 WeakPolarHBondContact O-CA 3.47Å; R1410-P1412 VanDerWaalsContact C-CD 3.46Å; R1410-P1412 WeakPolarHBondContact O-CD 3.37Å
1413	R	88.1	Confident	74.8	Confident	99 Å²	99	56.5 Å²	56.5	37%	0.374	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-58.3	141.2	174.1	-65.3	-179.3	179.4	152.4	-0.2	110.2	D531 D534	D531-R1413 WeakPolarHBondContact OD2-CD 3.41Å; D531-R1413 IonicContact OD2-CZ 2.85Å; D531-R1413 IonicContact OD2-NE 3.53Å; D531-R1413 IonicContact OD2-NH1 3.8Å; D531-R1413 PolarHBondContact OD2-NH1 2.95Å; D534-R1413 VanDerWaalsContact CG-NH1 3.29Å; D534-R1413 IonicContact OD1-CZ 2.73Å; D534-R1413 VanDerWaalsContact OD1-CZ 3.25Å; D534-R1413 IonicContact OD1-NH1 3.95Å; D534-R1413 PolarHBondContact OD1-NH1 3.29Å; D534-R1413 IonicContact OD1-NH2 3.74Å; D534-R1413 PolarHBondContact OD1-NH2 2.89Å; D534-R1413 IonicContact OD2-NH1 3.9Å; D534-R1413 PolarHBondContact OD2-NH1 3.42Å
1414	Y	89.1	Confident	72.7	Confident	77 Å²	77	57.7 Å²	57.7	30%	0.302	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-58.9	140.1	177.1	178.9	-106	0	0	0	111.4	R547 K548 I551 D552	R547-Y1414 PolarHBondContact NH1-O 2.89Å; K548-Y1414 HydrophobicContact CB-CD1 4.07Å; K548-Y1414 HydrophobicContact CD-CD1 3.99Å; K548-Y1414 HydrophobicContact CD-CE1 4.16Å; K548-Y1414 HydrophobicContact CD-CG 4.37Å; K548-Y1414 HydrophobicContact CG-CD1 3.65Å; K548-Y1414 HydrophobicContact CG-CE1 3.79Å; K548-Y1414 HydrophobicContact CG-CG 4.47Å; I551-Y1414 WeakPolarHBondContact CD1-O 3.45Å; I551-Y1414 HydrophobicContact CG2-CD1 4.16Å; I551-Y1414 HydrophobicContact CG2-CE1 3.84Å; D552-Y1414 WeakPolarHBondContact OD1-CE1 3.5Å; D552-Y1414 PolarHBondContact OD1-OH 3.41Å
1415	R	85.2	Confident	70.4	Confident	6 Å²	6	59 Å²	59	2%	0.023	30%	0.3	C	S	.	.			trans	-148.1	161.7	177.5	59.7	179.2	-161.6	78.7	20.7	109.6	Y260 D339 N508	Y260-R1415 VanDerWaalsContact CE2-NH2 3.35Å; Y260-R1415 PolarHBondContact OH-NE 2.82Å; Y260-R1415 PolarHBondContact OH-NH2 3.23Å; D339-R1415 HydrophobicContact CB-CG 4.15Å; D339-R1415 PolarHBondContact O-NH2 3.31Å; D339-R1415 VanDerWaalsContact O-NH2 3.14Å; D339-R1415 IonicContact OD1-CZ 2.7Å; D339-R1415 IonicContact OD1-NE 3.25Å; D339-R1415 PolarHBondContact OD1-NE 2.87Å; D339-R1415 IonicContact OD1-NH2 2.88Å; D339-R1415 PolarHBondContact OD1-NH2 2.85Å; N508-R1415 WeakPolarHBondContact OD1-CD 3.46Å
1416	R	81.8	Confident	68.3	Low	47 Å²	47	61.9 Å²	61.9	18%	0.177	31%	0.314	C	S	.	.			trans	-123.7	131.3	172.3	-166.7	-173.8	67	-155.7	-12.6	108.8	T507 I551 D552 N553	T507-R1416 CarbonylContact C-O 3.57Å; T507-R1416 WeakPolarHBondContact CB-O 3.4Å; T507-R1416 PolarHBondContact O-N 3.34Å; T507-R1416 PolarHBondContact OG1-O 2.82Å; I551-R1416 HydrophobicContact CG2-CB 3.61Å; I551-R1416 PolarHBondContact O-NE 3.46Å; I551-R1416 PolarHBondContact O-NH1 2.9Å; I551-R1416 PolarHBondContact O-NH2 3.39Å; D552-R1416 PolarHBondContact O-NH1 3.16Å; D552-R1416 VanDerWaalsContact O-NH1 3.09Å; N553-R1416 PolarHBondContact ND2-NH2 2.89Å
1417	Q	71.2	Confident	66	Low	5 Å²	5	67.2 Å²	67.2	2%	0.023	34%	0.342	C	S	.	.			trans	-72.6	145.2	170.5	178	168.4	-30.4	0	0	109.2	E343 R345	E343-Q1417 WeakPolarHBondContact OE2-CB 3.45Å; E343-Q1417 WeakPolarHBondContact OE2-CG 3.28Å; R345-Q1417 VanDerWaalsContact NE-OE1 3.08Å
1418	S	65.1	Low	63.8	Low	19 Å²	19	67.6 Å²	67.6	13%	0.133	35%	0.348	C	S	.	.			trans	-72.3	131.8	177	176.5	0	0	0	0	109.9	D588 K1420	D588-S1418 PolarHBondContact OD2-OG 2.88Å; S1418-K1420 PolarHBondContact O-N 2.96Å; S1418-K1420 WeakPolarHBondContact OG-CD 3.44Å; S1418-K1420 WeakPolarHBondContact OG-CG 3.19Å
1419	Q	54.2	Low	61.7	Low	154 Å²	154	72.4 Å²	72.4	72%	0.72	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	5.2	-167.3	-62.4	-168.7	-50.3	0	0	115	W1421	Q1419-W1421 PolarHBondContact O-N 3.28Å
1420	K	58.5	Low	59.6	Low	45 Å²	45	78.1 Å²	78.1	20%	0.196	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-1.7	-167.4	-57.1	-176.9	172.6	166.4	0	114.5	E437 V438 D588 S1418	E437-K1420 HydrophobicContact CB-CD 4.29Å; E437-K1420 WeakPolarHBondContact OE2-CB 3.48Å; E437-K1420 WeakPolarHBondContact OE2-CG 3.45Å; V438-K1420 PolarHBondContact O-NZ 2.92Å; D588-K1420 WeakPolarHBondContact OD2-CE 3.44Å; D588-K1420 IonicContact OD2-NZ 2.72Å; D588-K1420 PolarHBondContact OD2-NZ 3.43Å; S1418-K1420 PolarHBondContact O-N 2.96Å; S1418-K1420 WeakPolarHBondContact OG-CD 3.44Å; S1418-K1420 WeakPolarHBondContact OG-CG 3.19Å
1421	W	50.4	Low	57.6	Low	40 Å²	40	76.6 Å²	76.6	15%	0.152	40%	0.399	C	S	.	.			trans	-112.8	104.1	-168.5	-60.4	115.2	0	0	0	112.4	Q218 V222 I439 Q1419	Q218-W1421 WeakPolarHBondContact O-CZ2 3.36Å; V222-W1421 HydrophobicContact CB-CE3 4.44Å; V222-W1421 HydrophobicContact CG1-CB 3.95Å; V222-W1421 HydrophobicContact CG1-CD2 3.73Å; V222-W1421 HydrophobicContact CG1-CE3 3.41Å; V222-W1421 VanDerWaalsContact CG1-CE3 3.41Å; V222-W1421 HydrophobicContact CG1-CG 3.99Å; V222-W1421 HydrophobicContact CG1-CZ3 4.14Å; I439-W1421 HydrophobicContact CD1-CH2 3.78Å; I439-W1421 HydrophobicContact CD1-CZ2 3.82Å; Q1419-W1421 PolarHBondContact O-N 3.28Å
1422	T	41.9	Very low	55.8	Low	65 Å²	65	74.7 Å²	74.7	40%	0.399	38%	0.381	S	S	.	.			trans	-113.8	99.7	173.2	42.4	0	0	0	0	111.5	F1424	T1422-F1424 PolarHBondContact O-N 2.9Å
1423	L	42.6	Very low	54	Low	17 Å²	17	80.2 Å²	80.2	9%	0.089	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-73.1	124.4	169	-62.2	-176.3	0	0	0	110.2	V222 L344 R426	V222-L1423 HydrophobicContact CB-CD2 4.44Å; V222-L1423 HydrophobicContact CG1-CD2 3.89Å; V222-L1423 HydrophobicContact CG2-CD2 4.07Å; L344-L1423 HydrophobicContact CB-CB 3.94Å; L344-L1423 HydrophobicContact CB-CD1 3.92Å; L344-L1423 HydrophobicContact CB-CG 3.8Å; L344-L1423 HydrophobicContact CD1-CB 4.17Å; L344-L1423 HydrophobicContact CD2-CB 4.41Å; L344-L1423 HydrophobicContact CG-CB 4.4Å; R426-L1423 HydrophobicContact CB-CD2 3.87Å; R426-L1423 HydrophobicContact CG-CD2 3.87Å
1424	F	39.5	Very low	52.1	Low	78 Å²	78	77.4 Å²	77.4	34%	0.342	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-99.2	153.2	157.1	-57.7	-102.5	0	0	0	109	R426 F427 P429 L434 T1422	R426-F1424 WeakPolarHBondContact CB-O 3.18Å; R426-F1424 VanDerWaalsContact CD-O 3.29Å; R426-F1424 WeakPolarHBondContact CD-O 3.37Å; F427-F1424 VanDerWaalsContact O-CB 3.29Å; F427-F1424 WeakPolarHBondContact O-CB 3.45Å; F427-F1424 VanDerWaalsContact O-CD2 3.26Å; F427-F1424 WeakPolarHBondContact O-CD2 3.31Å; P429-F1424 HydrophobicContact CB-CD1 4.35Å; P429-F1424 HydrophobicContact CB-CE1 4.48Å; P429-F1424 HydrophobicContact CG-CD1 4.39Å; P429-F1424 HydrophobicContact CG-CE1 4.09Å; P429-F1424 HydrophobicContact CG-CZ 4.34Å; L434-F1424 HydrophobicContact CD2-CE2 4.35Å; T1422-F1424 PolarHBondContact O-N 2.9Å
1425	P	38.1	Very low	49.9	Very low	107 Å²	107	76.1 Å²	76.1	70%	0.695	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-61.4	146	171.2	-20.8	33.5	0	0	0	110.8	D1427	P1425-D1427 PolarHBondContact O-N 3.05Å
1426	N	42.2	Very low	47.5	Very low	80 Å²	80	81.3 Å²	81.3	43%	0.428	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-65.9	129.5	167.9	-84	-16.6	0	0	0	109.2	D1428	N1426-D1428 PolarHBondContact O-N 2.74Å
1427	D	39.5	Very low	45.3	Very low	122 Å²	122	83.9 Å²	83.9	65%	0.652	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-62.6	117.8	156.7	-111.2	9.9	0	0	0	107.6	P1425 K1429	P1425-D1427 PolarHBondContact O-N 3.05Å; D1427-K1429 PolarHBondContact O-N 2.98Å; D1427-K1429 IonicContact OD2-NZ 2.67Å; D1427-K1429 PolarHBondContact OD2-NZ 2.81Å
1428	D	39.8	Very low	43.4	Very low	139 Å²	139	91.8 Å²	91.8	74%	0.743	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	17.6	-171.1	-85	-51.8	0	0	0	116.3	N1426 N1430	N1426-D1428 PolarHBondContact O-N 2.74Å; D1428-N1430 VanDerWaalsContact C-N 3.29Å; D1428-N1430 PolarHBondContact O-N 2.82Å
1429	K	37.7	Very low	41.9	Very low	161 Å²	161	100.8 Å²	100.8	70%	0.7	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.5	-170.6	-68.6	172	-174.9	144	0	115.1	D1427	D1427-K1429 PolarHBondContact O-N 2.98Å; D1427-K1429 IonicContact OD2-NZ 2.67Å; D1427-K1429 PolarHBondContact OD2-NZ 2.81Å
1430	N	38.4	Very low	41	Very low	133 Å²	133	100.9 Å²	100.9	71%	0.711	54%	0.536	S	S	*	.	S	Bend	trans	-142.2	110.9	172.5	-81.2	-67.3	0	0	0	110.2	D1428	D1428-N1430 VanDerWaalsContact C-N 3.29Å; D1428-N1430 PolarHBondContact O-N 2.82Å
1431	P	40.4	Very low	39.8	Very low	88 Å²	88	107.1 Å²	107.1	57%	0.571	56%	0.563	S	S	*	*			trans	-63.8	149.2	170.3	27.9	-33.9	0	0	0	110.3	Q1433	P1431-Q1433 PolarHBondContact O-N 3.08Å
1432	P	44.4	Very low	39.5	Very low	38 Å²	38	110.5 Å²	110.5	25%	0.247	58%	0.583	C	S	.	*			trans	-60.1	130.6	177.4	25.4	-33.3	0	0	0	110.2	N399 Y401 C1434	N399-P1432 HydrophobicContact CB-CG 4.17Å; Y401-P1432 HydrophobicContact CE1-CB 4.01Å; Y401-P1432 HydrophobicContact CE1-CG 4.41Å; Y401-P1432 WeakPolarHBondContact OH-CB 3.28Å; P1432-C1434 PolarHBondContact O-N 2.88Å
1433	Q	45.8	Very low	39.9	Very low	164 Å²	164	110.1 Å²	110.1	77%	0.766	58%	0.583	S	S	*	*			trans	-71.6	101.8	-177.5	-79.2	-173.6	-11.6	0	0	110.7	P1431 S1435	P1431-Q1433 PolarHBondContact O-N 3.08Å; Q1433-S1435 PolarHBondContact O-N 3.25Å
1434	C	48.1	Very low	40.6	Very low	40 Å²	40	115.5 Å²	115.5	27%	0.27	61%	0.611	S	S	.	*			trans	-65.1	98.6	169.7	-82	0	0	0	0	111.7	C396 P1432	C396-C1434 HydrophobicContact CB-CB 3.87Å; C396-C1434 WeakPolarHBondContact CB-SG 3.43Å; C396-C1434 WeakPolarHBondContact SG-CB 3.03Å; C396-C1434 CovalentContact SG-SG 2.01Å; C396-C1434 PolarHBondContact SG-SG 3.43Å; P1432-C1434 PolarHBondContact O-N 2.88Å
1435	S	42.6	Very low	42	Very low	51 Å²	51	120.4 Å²	120.4	36%	0.357	63%	0.629	S	S	.	*			trans	66.4	115.2	-179.2	42.6	0	0	0	0	117.9	K392 Q1433 T1437	K392-S1435 VanDerWaalsContact NZ-CB 3.33Å; K392-S1435 PolarHBondContact NZ-OG 3.11Å; Q1433-S1435 PolarHBondContact O-N 3.25Å; S1435-T1437 VanDerWaalsContact C-N 3.34Å; S1435-T1437 PolarHBondContact O-N 2.75Å
1436	S	35	Very low	43.5	Very low	114 Å²	114	119.9 Å²	119.9	80%	0.797	62%	0.619	S	S	*	*			trans	-62.2	92.6	131.3	39.5	0	0	0	0	110
1437	T	35.4	Very low	44.9	Very low	101 Å²	101	119.1 Å²	119.1	62%	0.62	62%	0.617	S	S	*	*			trans	-122.3	116.6	156.4	44.3	0	0	0	0	107.2	S1435 R1439	S1435-T1437 VanDerWaalsContact C-N 3.34Å; S1435-T1437 PolarHBondContact O-N 2.75Å; T1437-R1439 PolarHBondContact O-N 3.04Å; T1437-R1439 VanDerWaalsContact O-N 3.1Å
1438	D	31	Very low	46.7	Very low	171 Å²	171	117.2 Å²	117.2	91%	0.914	61%	0.606	S	S	*	*			trans	-58.8	117.8	-173.7	-94.7	-46.9	0	0	0	111.2	L1440	D1438-L1440 VanDerWaalsContact C-N 3.26Å; D1438-L1440 PolarHBondContact O-N 3Å
1439	R	33.5	Very low	48.4	Very low	208 Å²	208	113.7 Å²	113.7	79%	0.785	59%	0.592	S	S	*	*			trans	-72.4	88.3	172.8	-79.1	-177.4	164	-177.1	-6.1	108.7	T1437 K1441	T1437-R1439 PolarHBondContact O-N 3.04Å; T1437-R1439 VanDerWaalsContact O-N 3.1Å; R1439-K1441 HydrophobicContact CB-CG 4.23Å; R1439-K1441 PolarHBondContact O-N 3.15Å
1440	L	35.9	Very low	50.4	Low	156 Å²	156	111.3 Å²	111.3	82%	0.817	59%	0.586	S	S	*	*			trans	-55.7	85.8	142.7	-93.8	167.9	0	0	0	107.7	D1438 I1442	D1438-L1440 VanDerWaalsContact C-N 3.26Å; D1438-L1440 PolarHBondContact O-N 3Å; L1440-I1442 HydrophobicContact CB-CG1 4.46Å; L1440-I1442 PolarHBondContact O-N 2.95Å
1441	K	33.5	Very low	52.1	Low	176 Å²	176	110 Å²	110	77%	0.765	58%	0.58	S	S	*	*			trans	-67.6	73.4	165.3	-73.2	-176.3	178.4	174.9	0	107.3	R1439 S1443	R1439-K1441 HydrophobicContact CB-CG 4.23Å; R1439-K1441 PolarHBondContact O-N 3.15Å; K1441-S1443 PolarHBondContact O-N 2.99Å
1442	I	44.9	Very low	54.1	Low	111 Å²	111	110 Å²	110	57%	0.569	57%	0.574	S	S	*	*			trans	-57.5	107.9	165	-56.6	178.7	0	0	0	104.9	L1440 L1444 V1447	L1440-I1442 HydrophobicContact CB-CG1 4.46Å; L1440-I1442 PolarHBondContact O-N 2.95Å; I1442-L1444 PolarHBondContact O-N 3.37Å; I1442-V1447 HydrophobicContact CG2-CG2 3.65Å
1443	S	49.6	Very low	55.8	Low	58 Å²	58	114.8 Å²	114.8	41%	0.406	59%	0.591	S	S	.	*			trans	-58.3	133	-178.5	-179.5	0	0	0	0	108.3	K1441 Y1445 I1446 V1447	K1441-S1443 PolarHBondContact O-N 2.99Å; S1443-Y1445 PolarHBondContact O-N 3.38Å; S1443-Y1445 WeakPolarHBondContact OG-CB 3.35Å; S1443-Y1445 PolarHBondContact OG-N 3.18Å; S1443-I1446 WeakPolarHBondContact O-CB 3.32Å; S1443-I1446 PolarHBondContact O-N 2.98Å; S1443-V1447 PolarHBondContact O-N 3.1Å
1444	L	57	Low	56.9	Low	129 Å²	129	110.4 Å²	110.4	68%	0.675	58%	0.579	S	S	*	*	H	α-helix	trans	-53.9	-32.3	176.9	-163.8	74.5	0	0	0	110.6	I1442 I1446 V1447 I1448	I1442-L1444 PolarHBondContact O-N 3.37Å; L1444-I1446 VanDerWaalsContact C-N 3.33Å; L1444-I1446 PolarHBondContact O-N 3.22Å; L1444-V1447 PolarHBondContact O-N 2.85Å; L1444-I1448 HydrophobicContact CD2-CD1 4.13Å; L1444-I1448 HydrophobicContact CG-CD1 3.89Å; L1444-I1448 WeakPolarHBondContact O-CB 3.46Å; L1444-I1448 VanDerWaalsContact O-CG1 3.25Å; L1444-I1448 WeakPolarHBondContact O-CG1 3.18Å; L1444-I1448 PolarHBondContact O-N 2.03Å
1445	Y	68.4	Low	58.5	Low	182 Å²	182	114.7 Å²	114.7	71%	0.714	59%	0.593	S	S	*	*	H	α-helix	trans	-58.6	-34.7	172.1	-120.5	-81.6	0	0	0	114.3	S1443 S1449	S1443-Y1445 PolarHBondContact O-N 3.38Å; S1443-Y1445 WeakPolarHBondContact OG-CB 3.35Å; S1443-Y1445 PolarHBondContact OG-N 3.18Å; Y1445-S1449 WeakPolarHBondContact O-CB 2.97Å; Y1445-S1449 PolarHBondContact O-N 3.33Å; Y1445-S1449 PolarHBondContact O-OG 2.9Å
1446	I	70.7	Confident	60.3	Low	95 Å²	95	118.5 Å²	118.5	49%	0.487	60%	0.603	S	S	.	*	H	α-helix	trans	-73.7	-42.6	178.2	-66.2	168.8	0	0	0	110.1	S1443 L1444 S1449 L1450	S1443-I1446 WeakPolarHBondContact O-CB 3.32Å; S1443-I1446 PolarHBondContact O-N 2.98Å; L1444-I1446 VanDerWaalsContact C-N 3.33Å; L1444-I1446 PolarHBondContact O-N 3.22Å; I1446-S1449 PolarHBondContact O-N 3.39Å; I1446-L1450 HydrophobicContact CG2-CD1 3.99Å; I1446-L1450 WeakPolarHBondContact O-CB 3.47Å; I1446-L1450 WeakPolarHBondContact O-CG 3.4Å; I1446-L1450 PolarHBondContact O-N 3.16Å
1447	V	71.1	Confident	62	Low	65 Å²	65	117.1 Å²	117.1	39%	0.394	59%	0.587	S	S	.	*	H	α-helix	trans	-63.7	-44.1	175.8	-174.7	0	0	0	0	110.6	I1442 S1443 L1444 L1450 N1451	I1442-V1447 HydrophobicContact CG2-CG2 3.65Å; S1443-V1447 PolarHBondContact O-N 3.1Å; L1444-V1447 PolarHBondContact O-N 2.85Å; V1447-L1450 PolarHBondContact O-N 3.09Å; V1447-N1451 PolarHBondContact O-N 3.35Å; V1447-N1451 PolarHBondContact O-ND2 2.91Å
1448	I	76.6	Confident	63.7	Low	82 Å²	82	115.9 Å²	115.9	42%	0.421	58%	0.582	S	S	.	*	H	α-helix	trans	-63.3	-47.1	175.8	-70.1	167.4	0	0	0	110.6	L1444 L1450 N1451 I1452	L1444-I1448 HydrophobicContact CD2-CD1 4.13Å; L1444-I1448 HydrophobicContact CG-CD1 3.89Å; L1444-I1448 WeakPolarHBondContact O-CB 3.46Å; L1444-I1448 VanDerWaalsContact O-CG1 3.25Å; L1444-I1448 WeakPolarHBondContact O-CG1 3.18Å; L1444-I1448 PolarHBondContact O-N 2.03Å; I1448-L1450 PolarHBondContact O-N 3.29Å; I1448-N1451 PolarHBondContact O-N 2.97Å; I1448-I1452 HydrophobicContact CG2-CD1 3.59Å; I1448-I1452 HydrophobicContact CG2-CG1 4.28Å; I1448-I1452 WeakPolarHBondContact O-CB 3.27Å; I1448-I1452 VanDerWaalsContact O-CG1 3.3Å; I1448-I1452 WeakPolarHBondContact O-CG1 3.5Å; I1448-I1452 PolarHBondContact O-N 3.15Å
1449	S	77.1	Confident	65.5	Low	64 Å²	64	113.2 Å²	113.2	45%	0.448	57%	0.567	S	S	.	*	H	α-helix	trans	-60	-40.9	176.8	-72.2	0	0	0	0	113	Y1445 I1446 I1452 F1453	Y1445-S1449 WeakPolarHBondContact O-CB 2.97Å; Y1445-S1449 PolarHBondContact O-N 3.33Å; Y1445-S1449 PolarHBondContact O-OG 2.9Å; I1446-S1449 PolarHBondContact O-N 3.39Å; S1449-I1452 PolarHBondContact O-N 2.88Å; S1449-F1453 VanDerWaalsContact O-CB 3.22Å; S1449-F1453 WeakPolarHBondContact O-CB 3.41Å; S1449-F1453 PolarHBondContact O-N 3.14Å
1450	L	78.3	Confident	67.2	Low	111 Å²	111	113 Å²	113	58%	0.581	57%	0.567	S	S	*	*	H	α-helix	trans	-67.7	-39.1	177	-76.9	166.8	0	0	0	112.2	I1446 V1447 I1448 F1453 S1454	I1446-L1450 HydrophobicContact CG2-CD1 3.99Å; I1446-L1450 WeakPolarHBondContact O-CB 3.47Å; I1446-L1450 WeakPolarHBondContact O-CG 3.4Å; I1446-L1450 PolarHBondContact O-N 3.16Å; V1447-L1450 PolarHBondContact O-N 3.09Å; I1448-L1450 PolarHBondContact O-N 3.29Å; L1450-F1453 PolarHBondContact O-N 2.67Å; L1450-S1454 WeakPolarHBondContact O-CB 3.42Å; L1450-S1454 PolarHBondContact O-N 2.9Å
1451	N	74.2	Confident	67.6	Low	106 Å²	106	117.2 Å²	117.2	57%	0.567	57%	0.574	S	S	*	*	H	α-helix	trans	-69.3	-40.7	175.1	-80.8	-89.2	0	0	0	111.9	V1447 I1448 S1454 F1455	V1447-N1451 PolarHBondContact O-N 3.35Å; V1447-N1451 PolarHBondContact O-ND2 2.91Å; I1448-N1451 PolarHBondContact O-N 2.97Å; N1451-S1454 PolarHBondContact O-N 3.4Å; N1451-F1455 VanDerWaalsContact O-CB 3.29Å; N1451-F1455 WeakPolarHBondContact O-CB 3.33Å; N1451-F1455 PolarHBondContact O-N 2.83Å
1452	I	82.2	Confident	69.3	Low	87 Å²	87	114.3 Å²	114.3	45%	0.446	57%	0.565	S	S	.	*	H	α-helix	trans	-63	-43.3	173.5	-71.1	173.1	0	0	0	110.7	I1448 S1449 F1455 F1456	I1448-I1452 HydrophobicContact CG2-CD1 3.59Å; I1448-I1452 HydrophobicContact CG2-CG1 4.28Å; I1448-I1452 WeakPolarHBondContact O-CB 3.27Å; I1448-I1452 VanDerWaalsContact O-CG1 3.3Å; I1448-I1452 WeakPolarHBondContact O-CG1 3.5Å; I1448-I1452 PolarHBondContact O-N 3.15Å; S1449-I1452 PolarHBondContact O-N 2.88Å; I1452-F1455 PolarHBondContact O-N 2.89Å; I1452-F1456 HydrophobicContact CG2-CD2 3.69Å; I1452-F1456 HydrophobicContact CG2-CE2 3.72Å; I1452-F1456 VanDerWaalsContact O-CD2 3.31Å; I1452-F1456 WeakPolarHBondContact O-CD2 3.45Å; I1452-F1456 PolarHBondContact O-N 3.14Å
1453	F	80.9	Confident	70.6	Confident	139 Å²	139	114.4 Å²	114.4	61%	0.61	57%	0.565	S	S	*	*	H	α-helix	trans	-64.2	-43.8	177.1	-174.2	-98	0	0	0	111.5	S1449 L1450 F1455 F1456 L1457	S1449-F1453 VanDerWaalsContact O-CB 3.22Å; S1449-F1453 WeakPolarHBondContact O-CB 3.41Å; S1449-F1453 PolarHBondContact O-N 3.14Å; L1450-F1453 PolarHBondContact O-N 2.67Å; F1453-F1455 VanDerWaalsContact C-N 3.34Å; F1453-F1455 PolarHBondContact O-N 2.82Å; F1453-F1456 PolarHBondContact O-N 2.83Å; F1453-L1457 WeakPolarHBondContact O-CB 3.21Å; F1453-L1457 PolarHBondContact O-N 3.03Å
1454	S	69.8	Low	71.8	Confident	73 Å²	73	117.6 Å²	117.6	51%	0.51	57%	0.573	S	S	.	*	H	α-helix	trans	-62.2	-39.8	173.8	-168	0	0	0	0	112.4	L1450 N1451 L1457 S1458	L1450-S1454 WeakPolarHBondContact O-CB 3.42Å; L1450-S1454 PolarHBondContact O-N 2.9Å; N1451-S1454 PolarHBondContact O-N 3.4Å; S1454-L1457 PolarHBondContact O-N 3.01Å; S1454-S1458 PolarHBondContact O-N 2.97Å; S1454-S1458 PolarHBondContact O-OG 3.27Å
1455	F	81.1	Confident	72.6	Confident	129 Å²	129	116.9 Å²	116.9	57%	0.566	57%	0.567	S	S	*	*	H	α-helix	trans	-64.6	-45.4	176.7	-178.1	-105	0	0	0	112.1	N1451 I1452 F1453 L1457 S1458 L1459	N1451-F1455 VanDerWaalsContact O-CB 3.29Å; N1451-F1455 WeakPolarHBondContact O-CB 3.33Å; N1451-F1455 PolarHBondContact O-N 2.83Å; I1452-F1455 PolarHBondContact O-N 2.89Å; F1453-F1455 VanDerWaalsContact C-N 3.34Å; F1453-F1455 PolarHBondContact O-N 2.82Å; F1455-L1457 VanDerWaalsContact C-N 3.33Å; F1455-L1457 PolarHBondContact O-N 3.15Å; F1455-S1458 WeakPolarHBondContact CA-OG 3.33Å; F1455-S1458 CarbonylContact O-C 3.54Å; F1455-S1458 PolarHBondContact O-N 2.75Å; F1455-S1458 PolarHBondContact O-OG 3.18Å; F1455-L1459 HydrophobicContact CD1-CD1 3.9Å; F1455-L1459 HydrophobicContact CE1-CD1 3.43Å; F1455-L1459 VanDerWaalsContact CE1-CD1 3.43Å; F1455-L1459 HydrophobicContact CE2-CD1 4.4Å; F1455-L1459 HydrophobicContact CZ-CD1 3.72Å; F1455-L1459 PolarHBondContact O-N 3.31Å; F1455-L1459 VanDerWaalsContact O-N 3.15Å
1456	F	79.9	Confident	72.9	Confident	132 Å²	132	112.8 Å²	112.8	58%	0.579	56%	0.558	S	S	*	*	H	α-helix	trans	-65.8	-34	172.8	-82.7	-66	0	0	0	112.8	I1452 F1453 S1458 L1459 Y1460	I1452-F1456 HydrophobicContact CG2-CD2 3.69Å; I1452-F1456 HydrophobicContact CG2-CE2 3.72Å; I1452-F1456 VanDerWaalsContact O-CD2 3.31Å; I1452-F1456 WeakPolarHBondContact O-CD2 3.45Å; I1452-F1456 PolarHBondContact O-N 3.14Å; F1453-F1456 PolarHBondContact O-N 2.83Å; F1456-S1458 VanDerWaalsContact C-N 3.34Å; F1456-L1459 CarbonylContact O-C 3.55Å; F1456-L1459 PolarHBondContact O-N 3.48Å; F1456-L1459 VanDerWaalsContact O-N 3.13Å; F1456-Y1460 WeakPolarHBondContact O-CB 3.43Å; F1456-Y1460 PolarHBondContact O-N 3.42Å; F1456-Y1460 VanDerWaalsContact O-N 3.09Å
1457	L	71.5	Confident	73.1	Confident	85 Å²	85	114 Å²	114	45%	0.445	56%	0.563	S	S	.	*	H	α-helix	trans	-66.1	-37	174.1	-159.1	71.1	0	0	0	111.4	F1453 S1454 F1455 L1459 Y1460 Y1461	F1453-L1457 WeakPolarHBondContact O-CB 3.21Å; F1453-L1457 PolarHBondContact O-N 3.03Å; S1454-L1457 PolarHBondContact O-N 3.01Å; F1455-L1457 VanDerWaalsContact C-N 3.33Å; F1455-L1457 PolarHBondContact O-N 3.15Å; L1457-L1459 PolarHBondContact O-N 2.8Å; L1457-Y1460 PolarHBondContact O-N 3.27Å; L1457-Y1461 PolarHBondContact O-N 3.46Å
1458	S	69.7	Low	73.2	Confident	75 Å²	75	117.5 Å²	117.5	52%	0.524	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	2.4	171.6	63.7	0	0	0	0	115.3	S1454 F1455 F1456	S1454-S1458 PolarHBondContact O-N 2.97Å; S1454-S1458 PolarHBondContact O-OG 3.27Å; F1455-S1458 WeakPolarHBondContact CA-OG 3.33Å; F1455-S1458 CarbonylContact O-C 3.54Å; F1455-S1458 PolarHBondContact O-N 2.75Å; F1455-S1458 PolarHBondContact O-OG 3.18Å; F1456-S1458 VanDerWaalsContact C-N 3.34Å
1459	L	69.7	Low	72.9	Confident	114 Å²	114	120.2 Å²	120.2	60%	0.597	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-3	169.8	-88.7	162.7	0	0	0	112.2	F1455 F1456 L1457	F1455-L1459 HydrophobicContact CD1-CD1 3.9Å; F1455-L1459 HydrophobicContact CE1-CD1 3.43Å; F1455-L1459 VanDerWaalsContact CE1-CD1 3.43Å; F1455-L1459 HydrophobicContact CE2-CD1 4.4Å; F1455-L1459 HydrophobicContact CZ-CD1 3.72Å; F1455-L1459 PolarHBondContact O-N 3.31Å; F1455-L1459 VanDerWaalsContact O-N 3.15Å; F1456-L1459 CarbonylContact O-C 3.55Å; F1456-L1459 PolarHBondContact O-N 3.48Å; F1456-L1459 VanDerWaalsContact O-N 3.13Å; L1457-L1459 PolarHBondContact O-N 2.8Å
1460	Y	68.7	Low	72.6	Confident	203 Å²	203	124.9 Å²	124.9	80%	0.796	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-22.3	176.5	-172.3	-90.6	0	0	0	112	F1456 L1457	F1456-Y1460 WeakPolarHBondContact O-CB 3.43Å; F1456-Y1460 PolarHBondContact O-N 3.42Å; F1456-Y1460 VanDerWaalsContact O-N 3.09Å; L1457-Y1460 PolarHBondContact O-N 3.27Å
1461	Y	45.3	Very low	72.1	Confident	245 Å²	245	126.2 Å²	126.2	96%	0.961	60%	0.6	S	S	*	*			trans	-90.1	0	159.4	-84.9	-84.6	0	0	0	111	L1457	L1457-Y1461 PolarHBondContact O-N 3.46Å

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