A0A087XV68_POEFO Loading...

Receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A087XV68, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,204 aa.

						>A0A087XV68_POEFO|A0A087XV68
MTPRFENTMAARFLRWISLTSLLCFGSCVLAEKKVCQGFTNRVNLMDNKEDHYLNMVKTYSNCTIVLENLEITYVEEHRDLSFLKSIEEVSGYVLIALNTVSRIPLENLRIIRGHSLYEEKFALSVLANIDKNTGLGTTELLLTSLTEILKGGVKFVNNKLCNVETIQWFDIVNAETKPSMELPVAGNNPLCNKCHSSCYNGSCWAPGAENCQTLTKLNCAQQCSKRCKGPSPSDCCNEHCAAGCTGPTAADCLACRDFQDDGVCKDSCPGLMRYDPNLHQLVPNPQGKYNFGATCVKNCPHNYVVTDHGACVRTCSGNTYEVEEGGVRKCAKCNGLCPKVCNGLGYGNLTYILSVNATNIGSFKNCTKITGDITILRTSIHGDPYTKTPKMEPAQLDVFKTVREITGHLWIQDWPQSMNSLSPFENLEIIRGRTKRGSRSLVVTQLDIDYLGLRSLKEISDGDVVIIKNHNLCYMDDSHWKRFFISGGQTATVNENANATVCVLRNKTCDRKCTADGCWGPGPDMCFACRDYSRSGSCVDFCNILEGEPREAVMNKTCMECDPECLRMNGTATCRAPGPGNCTKCANFQDGLYCVPRCPQGVPGEGDTLVWKYVDEKRVCQLCHKNCTKGCVGPGPEGCQGERPSGLSIIAAGVVGGLLAVLIAGLSVFVLLRRRHIKRKRTMRRLLQERELVEPLTPSGQAPNQALLRILKEPEFKKIKVLGSGAFGTVYKGLWVPEGEDVKIPVAIKVLREATSPKANQEILDEAYVMASVEHPHVCRLLGICLTSTVQLITQLMPYGCLLDYVKEKKDNIGSQHLLNWCVQIAKGMNYLEERHLVHRDLAARNVLVKTPHHVKITDFGLAKLLNADEKEYHADGGKVPIKWMALESILNRTYTHQSDVWSYGVTVWELMTFGTKPYDGIPASEIAGILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPHFRELIAEFTKMARDPPRYLVIQGDDRMHLPSPTDTKFYRSLISGGDLDDGVDADEYLVPQHSFFSSPSTSYTPLLHSTSTNSSIGTSKTRNGLMNGVPSRDGSMVLRYMPDPTDKFLDEAFQPAPDYMNQNGVSNVINPVYQHSGPPRTLLPTISSDDTESEYLNYFKNGANGPEYLNELPSSTALPLNSNNTAIGGQNYRPQNSMDNPDYQQDFTPTFKTHTNGHIPAAENVEYLGPD
					

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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	30.7	Very low	40.3	Very low	229 Å²	229	151.3 Å²	151.3	100%	1.128	81%	0.806	S	S	*	*				0	142.1	0	-78	167.7	157	0	0	108.2
2	T	33	Very low	40.5	Very low	137 Å²	137	156.3 Å²	156.3	84%	0.84	81%	0.805	S	S	*	*			trans	57.5	162.1	155.2	48.2	0	0	0	0	119.8
3	P	52	Low	40.6	Very low	119 Å²	119	156.3 Å²	156.3	77%	0.773	80%	0.796	S	S	*	*			cis	-133.9	-170	-38.8	38.4	-21.5	0	0	0	113.9
4	R	42.3	Very low	40.9	Very low	218 Å²	218	154 Å²	154	82%	0.823	79%	0.785	S	S	*	*			trans	-49.3	167.6	163.9	-60.1	-177.1	175.4	169.5	-3.4	114.3
5	F	45.9	Very low	41.2	Very low	185 Å²	185	156.9 Å²	156.9	81%	0.811	78%	0.783	S	S	*	*			cis	-163.9	139.6	-7.8	-129	-132.6	0	0	0	107.1
6	E	38.9	Very low	41.4	Very low	180 Å²	180	159.6 Å²	159.6	84%	0.841	78%	0.781	S	S	*	*			trans	165.7	128.9	144.1	-100.4	179.7	-179.1	0	0	111.2
7	N	39.5	Very low	41.8	Very low	151 Å²	151	155.9 Å²	155.9	81%	0.807	76%	0.764	S	S	*	*			trans	151.4	105.9	156.2	-94.4	-69.7	0	0	0	111.1
8	T	44.9	Very low	41.9	Very low	129 Å²	129	150.8 Å²	150.8	79%	0.791	75%	0.747	S	S	*	*			trans	-134.4	16.6	-169.6	35.1	0	0	0	0	116.3
9	M	35.2	Very low	41.9	Very low	169 Å²	169	148.9 Å²	148.9	83%	0.833	74%	0.739	S	S	*	*	S	Bend	trans	-114.4	-51.3	173.5	-102.2	179.6	-86.3	0	0	115	A11 R12	M9-A11 VanDerWaalsContact C-N 3.31Å; M9-A11 PolarHBondContact O-N 3.19Å; M9-R12 PolarHBondContact O-N 3.28Å
10	A	39.3	Very low	41.8	Very low	76 Å²	76	144.8 Å²	144.8	63%	0.628	72%	0.723	S	S	*	*	H	α-helix	trans	-57.6	-37.9	-173.5	0	0	0	0	0	114.4	R12 F13	A10-R12 VanDerWaalsContact C-N 3.25Å; A10-R12 PolarHBondContact O-N 3.28Å; A10-F13 PolarHBondContact O-N 3.19Å
11	A	41.1	Very low	41.5	Very low	71 Å²	71	140.7 Å²	140.7	59%	0.587	71%	0.708	S	S	*	*	H	α-helix	trans	-67	-17.8	-174.9	0	0	0	0	0	115.1	M9	M9-A11 VanDerWaalsContact C-N 3.31Å; M9-A11 PolarHBondContact O-N 3.19Å
12	R	43.4	Very low	41.6	Very low	211 Å²	211	136.5 Å²	136.5	80%	0.796	69%	0.689	S	S	*	*	H	α-helix	trans	-79.9	-31.7	177	-76.2	-173.8	171.7	-171.7	-2.5	112.7	M9 A10 W16	M9-R12 PolarHBondContact O-N 3.28Å; A10-R12 VanDerWaalsContact C-N 3.25Å; A10-R12 PolarHBondContact O-N 3.28Å; R12-W16 PolarHBondContact O-N 3.12Å
13	F	41.9	Very low	41.6	Very low	157 Å²	157	136 Å²	136	69%	0.689	68%	0.681	S	S	*	*	H	α-helix	trans	-73.5	-46.5	-176.4	-142.5	-97.5	0	0	0	111.9	A10 R15 W16 I17	A10-F13 PolarHBondContact O-N 3.19Å; F13-R15 PolarHBondContact O-N 3.2Å; F13-W16 PolarHBondContact O-N 3.41Å; F13-I17 HydrophobicContact CD1-CD1 3.91Å; F13-I17 HydrophobicContact CE1-CD1 4.17Å; F13-I17 PolarHBondContact O-N 2.91Å
14	L	44.6	Very low	40.6	Very low	124 Å²	124	135 Å²	135	65%	0.649	68%	0.675	S	S	*	*	H	α-helix	trans	-61.1	-40.5	175.9	-95.8	74	0	0	0	112.5	W16 I17 S18	L14-W16 VanDerWaalsContact C-N 3.26Å; L14-W16 PolarHBondContact O-N 3.25Å; L14-I17 PolarHBondContact O-N 3.3Å; L14-S18 PolarHBondContact O-N 3.32Å; L14-S18 PolarHBondContact O-OG 3.23Å
15	R	44.6	Very low	40.1	Very low	197 Å²	197	133.1 Å²	133.1	74%	0.743	67%	0.674	S	S	*	*	H	α-helix	trans	-62.2	-32.5	177.7	-86.6	-170.5	170.1	-165.1	-2.7	113	F13 L19	F13-R15 PolarHBondContact O-N 3.2Å; R15-L19 WeakPolarHBondContact O-CD1 3.44Å; R15-L19 PolarHBondContact O-N 3.38Å; R15-L19 VanDerWaalsContact O-N 3.12Å
16	W	44.8	Very low	39.4	Very low	201 Å²	201	127.5 Å²	127.5	76%	0.761	67%	0.668	S	S	*	*	H	α-helix	trans	-69.7	-46.5	175.5	-131.9	55.3	0	0	0	111.1	R12 F13 L14 S18 L19 T20	R12-W16 PolarHBondContact O-N 3.12Å; F13-W16 PolarHBondContact O-N 3.41Å; L14-W16 VanDerWaalsContact C-N 3.26Å; L14-W16 PolarHBondContact O-N 3.25Å; W16-S18 PolarHBondContact O-N 2.89Å; W16-L19 PolarHBondContact O-N 2.94Å; W16-T20 PolarHBondContact O-N 2.96Å; W16-T20 PolarHBondContact O-OG1 3.47Å; W16-T20 VanDerWaalsContact O-OG1 3.12Å
17	I	48.4	Very low	39.1	Very low	96 Å²	96	123 Å²	123	49%	0.492	66%	0.656	S	S	.	*	H	α-helix	trans	-61.4	-42.8	177.8	-64	170.4	0	0	0	111.5	F13 L14 T20 S21	F13-I17 HydrophobicContact CD1-CD1 3.91Å; F13-I17 HydrophobicContact CE1-CD1 4.17Å; F13-I17 PolarHBondContact O-N 2.91Å; L14-I17 PolarHBondContact O-N 3.3Å; I17-T20 WeakPolarHBondContact CA-OG1 3.42Å; I17-T20 PolarHBondContact O-N 3.12Å; I17-T20 PolarHBondContact O-OG1 2.91Å; I17-S21 WeakPolarHBondContact O-CB 3.43Å; I17-S21 PolarHBondContact O-N 3.45Å
18	S	44.1	Very low	38.8	Very low	65 Å²	65	121.7 Å²	121.7	46%	0.455	66%	0.658	S	S	.	*	H	α-helix	trans	-65.9	-38.9	175.9	-63.3	0	0	0	0	113	L14 W16 S21 L22	L14-S18 PolarHBondContact O-N 3.32Å; L14-S18 PolarHBondContact O-OG 3.23Å; W16-S18 PolarHBondContact O-N 2.89Å; S18-S21 PolarHBondContact O-N 3.34Å; S18-L22 WeakPolarHBondContact O-CD1 3.43Å; S18-L22 PolarHBondContact O-N 3.46Å
19	L	40.8	Very low	38	Very low	114 Å²	114	122.3 Å²	122.3	60%	0.597	66%	0.661	S	S	*	*	H	α-helix	trans	-65.5	-44.4	175	-104.8	74.6	0	0	0	111.7	R15 W16 S21 L22 L23	R15-L19 WeakPolarHBondContact O-CD1 3.44Å; R15-L19 PolarHBondContact O-N 3.38Å; R15-L19 VanDerWaalsContact O-N 3.12Å; W16-L19 PolarHBondContact O-N 2.94Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 3.32Å; L19-L22 PolarHBondContact O-N 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 3.38Å
20	T	40.1	Very low	38.2	Very low	67 Å²	67	121.6 Å²	121.6	41%	0.411	66%	0.66	S	S	.	*	H	α-helix	trans	-64.5	-38	176.3	49.4	0	0	0	0	111.8	W16 I17 L23 C24	W16-T20 PolarHBondContact O-N 2.96Å; W16-T20 PolarHBondContact O-OG1 3.47Å; W16-T20 VanDerWaalsContact O-OG1 3.12Å; I17-T20 WeakPolarHBondContact CA-OG1 3.42Å; I17-T20 PolarHBondContact O-N 3.12Å; I17-T20 PolarHBondContact O-OG1 2.91Å; T20-L23 PolarHBondContact O-N 3.23Å; T20-C24 WeakPolarHBondContact O-CB 3.34Å; T20-C24 PolarHBondContact O-N 3.03Å; T20-C24 PolarHBondContact O-SG 3.43Å; T20-C24 VanDerWaalsContact O-SG 3.32Å
21	S	35.6	Very low	38.3	Very low	59 Å²	59	122.1 Å²	122.1	41%	0.413	66%	0.664	S	S	.	*	H	α-helix	trans	-66.2	-41.6	177.9	-165.2	0	0	0	0	112.5	I17 S18 L19 C24 F25	I17-S21 WeakPolarHBondContact O-CB 3.43Å; I17-S21 PolarHBondContact O-N 3.45Å; S18-S21 PolarHBondContact O-N 3.34Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 3.32Å; S21-C24 PolarHBondContact O-N 3.47Å; S21-F25 WeakPolarHBondContact O-CD2 3.49Å; S21-F25 PolarHBondContact O-N 3.44Å
22	L	33.2	Very low	39	Very low	140 Å²	140	127.9 Å²	127.9	73%	0.733	68%	0.679	S	S	*	*	H	α-helix	trans	-68.3	-33.2	175.1	-94.8	112.9	0	0	0	112.8	S18 L19 G26	S18-L22 WeakPolarHBondContact O-CD1 3.43Å; S18-L22 PolarHBondContact O-N 3.46Å; L19-L22 PolarHBondContact O-N 3.29Å; L22-G26 PolarHBondContact O-N 3.04Å
23	L	32.3	Very low	40.3	Very low	126 Å²	126	121.6 Å²	121.6	66%	0.66	66%	0.657	S	S	*	*	H	α-helix	trans	-72.5	-34.9	175.2	-75.2	164.9	0	0	0	112.7	L19 T20 G26	L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 3.38Å; T20-L23 PolarHBondContact O-N 3.23Å; L23-G26 PolarHBondContact O-N 3.25Å
24	C	30.9	Very low	42.1	Very low	98 Å²	98	119.3 Å²	119.3	66%	0.662	65%	0.647	S	S	*	*	H	α-helix	trans	-70.9	-29.8	177.7	-74	0	0	0	0	113.9	T20 S21 G26	T20-C24 WeakPolarHBondContact O-CB 3.34Å; T20-C24 PolarHBondContact O-N 3.03Å; T20-C24 PolarHBondContact O-SG 3.43Å; T20-C24 VanDerWaalsContact O-SG 3.32Å; S21-C24 PolarHBondContact O-N 3.47Å; C24-G26 VanDerWaalsContact C-N 3.34Å
25	F	31.8	Very low	43.9	Very low	180 Å²	180	116 Å²	116	79%	0.789	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-9.1	171.4	-79.6	-74.1	0	0	0	113.8	S21 S27	S21-F25 WeakPolarHBondContact O-CD2 3.49Å; S21-F25 PolarHBondContact O-N 3.44Å; F25-S27 VanDerWaalsContact C-N 3.33Å; F25-S27 PolarHBondContact O-N 3.5Å
26	G	32.1	Very low	45.7	Very low	67 Å²	67	107.3 Å²	107.3	69%	0.691	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	4	177.6	0	0	0	0	0	115.4	L22 L23 C24	L22-G26 PolarHBondContact O-N 3.04Å; L23-G26 PolarHBondContact O-N 3.25Å; C24-G26 VanDerWaalsContact C-N 3.34Å
27	S	32.8	Very low	47.2	Very low	85 Å²	85	100 Å²	100	59%	0.594	58%	0.576	S	S	*	*	S	Bend	trans	-117.2	124.2	-173.4	-61.3	0	0	0	0	112.6	F25	F25-S27 VanDerWaalsContact C-N 3.33Å; F25-S27 PolarHBondContact O-N 3.5Å
28	C	32.6	Very low	48.7	Very low	124 Å²	124	95.9 Å²	95.9	84%	0.838	56%	0.557	S	S	*	*			trans	63.8	42.4	164.6	-60.9	0	0	0	0	118.2	L30	C28-L30 PolarHBondContact O-N 3.41Å
29	V	28.8	Very low	50.1	Low	141 Å²	141	93.8 Å²	93.8	86%	0.855	54%	0.539	S	S	*	.			trans	-78.9	97.6	134.6	179.8	0	0	0	0	106.6	A31	V29-A31 PolarHBondContact O-N 3.28Å
30	L	39.8	Very low	51.7	Low	155 Å²	155	91.7 Å²	91.7	81%	0.812	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-63.1	119.9	167.8	-102.3	157.3	0	0	0	107.7	C28 E32	C28-L30 PolarHBondContact O-N 3.41Å; L30-E32 PolarHBondContact O-N 3.42Å; L30-E32 VanDerWaalsContact O-N 3.13Å
31	A	41.2	Very low	53.3	Low	87 Å²	87	90 Å²	90	72%	0.719	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-60.7	118	178.1	0	0	0	0	0	109.4	V29 K33	V29-A31 PolarHBondContact O-N 3.28Å; A31-K33 PolarHBondContact O-N 2.83Å
32	E	55.6	Low	55.5	Low	191 Å²	191	94.4 Å²	94.4	89%	0.893	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-64	119.2	-176.3	-169.6	170.6	-149.5	0	0	109.6	L30 K34	L30-E32 PolarHBondContact O-N 3.42Å; L30-E32 VanDerWaalsContact O-N 3.13Å; E32-K34 PolarHBondContact O-N 2.79Å
33	K	70.3	Confident	57.7	Low	80 Å²	80	90.3 Å²	90.3	35%	0.348	51%	0.508	S	S	.	.			trans	-66.8	97.2	-173.8	-72.9	-156.8	-176.7	-163.5	0	110.5	A31 V35 T64 I65 E88	A31-K33 PolarHBondContact O-N 2.83Å; K33-V35 WeakPolarHBondContact O-CG2 3.44Å; K33-V35 PolarHBondContact O-N 3.4Å; K33-T64 VanDerWaalsContact C-OG1 3.25Å; K33-T64 WeakPolarHBondContact CA-OG1 3.44Å; K33-T64 WeakPolarHBondContact CB-OG1 3.35Å; K33-I65 HydrophobicContact CB-CD1 4.06Å; K33-I65 HydrophobicContact CD-CD1 4Å; K33-I65 HydrophobicContact CD-CG1 4.41Å; K33-E88 WeakPolarHBondContact CE-OE2 3.18Å; K33-E88 IonicContact NZ-OE2 3.62Å; K33-E88 PolarHBondContact NZ-OE2 2.57Å
34	K	80.6	Confident	59.7	Low	108 Å²	108	89.7 Å²	89.7	47%	0.47	51%	0.505	S	S	.	.			trans	-61.3	125.9	179	-179	178.1	168.7	-153.9	0	110.4	E32 S61 N62 T64 I65	E32-K34 PolarHBondContact O-N 2.79Å; K34-S61 PolarHBondContact NZ-O 2.86Å; K34-N62 WeakPolarHBondContact CB-O 3.46Å; K34-N62 HydrophobicContact CD-CB 4.24Å; K34-N62 WeakPolarHBondContact CD-O 3.32Å; K34-T64 PolarHBondContact N-OG1 3.44Å; K34-T64 PolarHBondContact O-N 3.19Å; K34-T64 PolarHBondContact O-OG1 2.9Å; K34-I65 PolarHBondContact O-N 3.21Å
35	V	81.4	Confident	61.8	Low	54 Å²	54	88.1 Å²	88.1	33%	0.327	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145.1	-177	-174.2	0	0	0	0	110.2	K33 I65 L67	K33-V35 WeakPolarHBondContact O-CG2 3.44Å; K33-V35 PolarHBondContact O-N 3.4Å; V35-I65 WeakPolarHBondContact CA-O 3.18Å; V35-I65 HydrophobicContact CG2-CB 4.38Å; V35-L67 HydrophobicContact CG1-CD1 3.66Å; V35-L67 HydrophobicContact CG1-CD2 3.71Å; V35-L67 HydrophobicContact CG1-CG 3.45Å; V35-L67 VanDerWaalsContact CG1-CG 3.45Å
36	C	83.3	Confident	63	Low	16 Å²	16	84.8 Å²	84.8	11%	0.108	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	159.8	169.7	65.9	0	0	0	0	111.4	T59 C63 I65 V66 L67	C36-T59 VanDerWaalsContact CB-O 3.29Å; C36-T59 WeakPolarHBondContact CB-O 3.41Å; C36-C63 HydrophobicContact CB-CB 3.73Å; C36-C63 WeakPolarHBondContact CB-SG 3.4Å; C36-C63 PolarHBondContact N-SG 3.37Å; C36-C63 WeakPolarHBondContact SG-CB 3.23Å; C36-C63 CovalentContact SG-SG 2.03Å; C36-C63 PolarHBondContact SG-SG 3.11Å; C36-I65 PolarHBondContact N-O 3.14Å; C36-V66 WeakPolarHBondContact O-CA 3.26Å; C36-L67 PolarHBondContact O-N 2.66Å
37	Q	74.7	Confident	64.8	Low	48 Å²	48	87.1 Å²	87.1	22%	0.224	48%	0.475	C	S	.	.			trans	-73.3	-44.5	-175.8	-167.9	67.1	12.1	0	0	112.2	L67 E68 R314	Q37-L67 PolarHBondContact O-N 3.33Å; Q37-E68 HydrophobicContact CG-CG 4.28Å; Q37-E68 PolarHBondContact NE2-OE1 2.83Å; Q37-E68 WeakPolarHBondContact O-CA 3.19Å; Q37-E68 VanDerWaalsContact O-CB 3.31Å; Q37-E68 WeakPolarHBondContact O-CB 3.41Å; Q37-E68 PolarHBondContact O-N 3.49Å; Q37-R314 VanDerWaalsContact CD-NH1 3.31Å; Q37-R314 VanDerWaalsContact NE2-CD 3.32Å
38	G	79.8	Confident	67.1	Low	9 Å²	9	86 Å²	86	9%	0.093	46%	0.462	C	S	.	.			trans	80.2	-169.4	-158.6	0	0	0	0	0	111.4	N69	G38-N69 WeakPolarHBondContact CA-O 3.43Å
39	F	74.1	Confident	69.6	Low	20 Å²	20	84.3 Å²	84.3	9%	0.088	44%	0.441	C	S	.	.			trans	-150.8	171.8	176.7	44.3	-97.4	0	0	0	111.9	N41 T59 Y60 N69 E71	F39-N41 HydrophobicContact CD2-CB 4.3Å; F39-N41 VanDerWaalsContact CD2-ND2 3.34Å; F39-N41 WeakPolarHBondContact CD2-ND2 3.24Å; F39-T59 HydrophobicContact CD1-CG2 4.22Å; F39-T59 HydrophobicContact CE1-CG2 4.39Å; F39-Y60 HydrophobicContact CD1-CE2 4.41Å; F39-Y60 AromaticContact CE1-CE2 3.48Å; F39-Y60 HydrophobicContact CE1-CE2 3.48Å; F39-Y60 VanDerWaalsContact CE1-CE2 3.48Å; F39-Y60 AromaticContact CE1-CZ 3.63Å; F39-Y60 VanDerWaalsContact CE1-OH 3.26Å; F39-Y60 WeakPolarHBondContact CE1-OH 3.26Å; F39-Y60 AromaticContact CZ-CE2 3.79Å; F39-Y60 HydrophobicContact CZ-CE2 3.79Å; F39-N69 PolarHBondContact N-O 2.75Å; F39-E71 HydrophobicContact CD2-CB 4.04Å; F39-E71 HydrophobicContact CD2-CG 4.46Å; F39-E71 WeakPolarHBondContact CD2-OE2 3.45Å; F39-E71 HydrophobicContact CE2-CB 3.68Å; F39-E71 WeakPolarHBondContact CZ-O 3.33Å
40	T	74.3	Confident	72.3	Confident	71 Å²	71	81.2 Å²	81.2	44%	0.436	42%	0.417	S	S	.	.			trans	-135.6	64.6	-176	-53.5	0	0	0	0	110.3	E68 N69	T40-E68 PolarHBondContact OG1-OE2 3.13Å; T40-E68 VanDerWaalsContact OG1-OE2 3.13Å; T40-N69 PolarHBondContact OG1-ND2 3.27Å
41	N	73.3	Confident	74.2	Confident	31 Å²	31	77.8 Å²	77.8	17%	0.166	40%	0.4	C	S	.	.			trans	-99.1	-16	-179.9	-58.7	-20.2	0	0	0	111.9	F39 V43 N44 M46 E71	F39-N41 HydrophobicContact CD2-CB 4.3Å; F39-N41 VanDerWaalsContact CD2-ND2 3.34Å; F39-N41 WeakPolarHBondContact CD2-ND2 3.24Å; N41-V43 PolarHBondContact O-N 2.96Å; N41-V43 VanDerWaalsContact O-N 3.08Å; N41-N44 WeakPolarHBondContact O-CB 3.5Å; N41-N44 PolarHBondContact O-N 3.2Å; N41-M46 HydrophobicContact CB-SD 4.49Å; N41-M46 VanDerWaalsContact CG-SD 3.58Å; N41-M46 VanDerWaalsContact ND2-CG 3.34Å; N41-M46 WeakPolarHBondContact ND2-CG 3.45Å; N41-M46 PolarHBondContact ND2-SD 2.87Å; N41-M46 VanDerWaalsContact ND2-SD 3.41Å; N41-E71 WeakPolarHBondContact CA-OE2 3.17Å; N41-E71 PolarHBondContact N-OE2 2.89Å
42	R	82.9	Confident	76.2	Confident	151 Å²	151	73.9 Å²	73.9	57%	0.57	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	-103.9	-176.8	-57.7	178.4	179.9	-170.4	-0.8	111.8	E71 L95 Y118	R42-E71 VanDerWaalsContact CA-OE1 3.28Å; R42-E71 WeakPolarHBondContact CA-OE1 3.04Å; R42-E71 VanDerWaalsContact N-CD 3.29Å; R42-E71 PolarHBondContact N-OE1 2.73Å; R42-E71 PolarHBondContact N-OE2 3.01Å; R42-L95 WeakPolarHBondContact O-CD2 3.44Å; R42-Y118 HydrophobicContact CB-CE2 4.23Å; R42-Y118 HydrophobicContact CG-CE2 4.3Å
43	V	79.1	Confident	77.8	Confident	55 Å²	55	66.4 Å²	66.4	33%	0.333	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	15.6	179.4	-62.3	0	0	0	0	111.7	N41 Y74 A97	N41-V43 PolarHBondContact O-N 2.96Å; N41-V43 VanDerWaalsContact O-N 3.08Å; V43-Y74 PolarHBondContact O-OH 3.13Å; V43-A97 HydrophobicContact CG1-CB 4.49Å
44	N	73.4	Confident	78.6	Confident	112 Å²	112	66.7 Å²	66.7	60%	0.599	34%	0.335	S	S	*	.			trans	-82.8	129.3	171.7	-62.5	-9.8	0	0	0	109	N41	N41-N44 WeakPolarHBondContact O-CB 3.5Å; N41-N44 PolarHBondContact O-N 3.2Å
45	L	75.8	Confident	78.7	Confident	66 Å²	66	64.1 Å²	64.1	35%	0.346	33%	0.327	S	S	.	.			trans	-75.7	132.5	166	-171.8	66.6	0	0	0	108.5	D47 K49 H52 Y74	L45-D47 VanDerWaalsContact CD2-O 3.29Å; L45-D47 WeakPolarHBondContact CD2-O 3.48Å; L45-D47 WeakPolarHBondContact CG-O 3.09Å; L45-K49 HydrophobicContact CD2-CG 4.5Å; L45-H52 HydrophobicContact CD1-CB 3.77Å; L45-Y74 HydrophobicContact CB-CD2 4.31Å; L45-Y74 HydrophobicContact CB-CE2 4.01Å; L45-Y74 HydrophobicContact CD1-CD2 3.72Å; L45-Y74 HydrophobicContact CD1-CE2 4.3Å; L45-Y74 HydrophobicContact CD1-CG 3.96Å
46	M	56.6	Low	79	Confident	110 Å²	110	61.6 Å²	61.6	54%	0.542	31%	0.311	S	S	.	.			trans	-73.8	-34.9	-173.7	-77.5	-66.5	-71.5	0	0	114.1	N41	N41-M46 HydrophobicContact CB-SD 4.49Å; N41-M46 VanDerWaalsContact CG-SD 3.58Å; N41-M46 VanDerWaalsContact ND2-CG 3.34Å; N41-M46 WeakPolarHBondContact ND2-CG 3.45Å; N41-M46 PolarHBondContact ND2-SD 2.87Å; N41-M46 VanDerWaalsContact ND2-SD 3.41Å
47	D	69.6	Low	79.4	Confident	116 Å²	116	62.8 Å²	62.8	62%	0.62	32%	0.318	S	S	*	.	S	Bend	trans	-154.9	-103.7	177.4	-170.6	-54.7	0	0	0	106.3	L45	L45-D47 VanDerWaalsContact CD2-O 3.29Å; L45-D47 WeakPolarHBondContact CD2-O 3.48Å; L45-D47 WeakPolarHBondContact CG-O 3.09Å
48	N	81.9	Confident	79.8	Confident	60 Å²	60	68.8 Å²	68.8	32%	0.321	34%	0.343	S	S	.	.	S	Bend	trans	-105.9	174.8	167.7	67	79.3	0	0	0	111.3	E50 D51 H52	N48-E50 PolarHBondContact O-N 2.64Å; N48-E50 WeakPolarHBondContact OD1-CB 3.3Å; N48-E50 PolarHBondContact OD1-N 3.43Å; N48-D51 PolarHBondContact ND2-OD2 3.28Å; N48-D51 PolarHBondContact OD1-N 3.4Å; N48-D51 VanDerWaalsContact OD1-N 3.16Å; N48-H52 VanDerWaalsContact O-CB 3.31Å; N48-H52 WeakPolarHBondContact O-CB 3.38Å; N48-H52 PolarHBondContact O-N 2.04Å; N48-H52 VanDerWaalsContact O-N 3.13Å
49	K	84.3	Confident	80	Confident	90 Å²	90	70.1 Å²	70.1	39%	0.391	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-31.1	-176.4	-61.7	-171.6	-169.7	180	0	114.4	L45 Y53 E76	L45-K49 HydrophobicContact CD2-CG 4.5Å; K49-Y53 WeakPolarHBondContact O-CB 3.5Å; K49-Y53 PolarHBondContact O-N 3.18Å; K49-E76 HydrophobicContact CD-CG 3.94Å; K49-E76 WeakPolarHBondContact CD-OE1 3.1Å; K49-E76 WeakPolarHBondContact CE-OE1 3.5Å; K49-E76 IonicContact NZ-OE1 2.65Å; K49-E76 PolarHBondContact NZ-OE1 3.25Å
50	E	85.6	Confident	80.9	Confident	75 Å²	75	69.1 Å²	69.1	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-55.2	178.9	-179.3	66.9	-111.6	0	0	109.4	N48 H52 Y53 L54 R79	N48-E50 PolarHBondContact O-N 2.64Å; N48-E50 WeakPolarHBondContact OD1-CB 3.3Å; N48-E50 PolarHBondContact OD1-N 3.43Å; E50-H52 VanDerWaalsContact C-N 3.29Å; E50-H52 PolarHBondContact O-N 2.89Å; E50-Y53 CarbonylContact O-C 3.6Å; E50-Y53 WeakPolarHBondContact O-CB 3.39Å; E50-Y53 PolarHBondContact O-N 2.74Å; E50-Y53 VanDerWaalsContact O-N 3.08Å; E50-L54 HydrophobicContact CG-CD1 3.93Å; E50-L54 HydrophobicContact CG-CG 4.37Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.18Å; E50-L54 WeakPolarHBondContact OE1-CG 3.48Å; E50-R79 IonicContact OE1-CZ 2.73Å; E50-R79 IonicContact OE1-NH1 3.31Å; E50-R79 PolarHBondContact OE1-NH1 3.44Å; E50-R79 IonicContact OE1-NH2 3.2Å; E50-R79 IonicContact OE2-CZ 2.71Å; E50-R79 VanDerWaalsContact OE2-CZ 3.31Å; E50-R79 IonicContact OE2-NH1 3.4Å; E50-R79 PolarHBondContact OE2-NH1 2.87Å; E50-R79 IonicContact OE2-NH2 2.65Å; E50-R79 PolarHBondContact OE2-NH2 2.65Å
51	D	80.8	Confident	81.6	Confident	84 Å²	84	67.8 Å²	67.8	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-33.4	-179.8	-72.3	-57.5	0	0	0	112.7	N48 L54 N55	N48-D51 PolarHBondContact ND2-OD2 3.28Å; N48-D51 PolarHBondContact OD1-N 3.4Å; N48-D51 VanDerWaalsContact OD1-N 3.16Å; D51-L54 PolarHBondContact O-N 3.06Å; D51-N55 WeakPolarHBondContact O-CB 3.43Å; D51-N55 PolarHBondContact O-N 2.79Å
52	H	83.2	Confident	82.3	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.019	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-44.7	171.8	-171.2	83.7	0	0	0	112.1	L45 N48 E50 M56 T73	L45-H52 HydrophobicContact CD1-CB 3.77Å; N48-H52 VanDerWaalsContact O-CB 3.31Å; N48-H52 WeakPolarHBondContact O-CB 3.38Å; N48-H52 PolarHBondContact O-N 2.04Å; N48-H52 VanDerWaalsContact O-N 3.13Å; E50-H52 VanDerWaalsContact C-N 3.29Å; E50-H52 PolarHBondContact O-N 2.89Å; H52-M56 WeakPolarHBondContact O-CB 3.38Å; H52-M56 PolarHBondContact O-N 2.61Å; H52-T73 PolarHBondContact CD2-O 3.38Å; H52-T73 PolarHBondContact CE1-OG1 2.99Å; H52-T73 PolarHBondContact NE2-O 3.24Å; H52-T73 VanDerWaalsContact NE2-O 3.16Å; H52-T73 PolarHBondContact NE2-OG1 3.1Å
53	Y	89.3	Confident	82.7	Confident	35 Å²	35	64.3 Å²	64.3	14%	0.137	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-45.4	174.1	168.9	-95.8	0	0	0	112.4	K49 E50 N55 M56 V57 R79 D80 F83	K49-Y53 WeakPolarHBondContact O-CB 3.5Å; K49-Y53 PolarHBondContact O-N 3.18Å; E50-Y53 CarbonylContact O-C 3.6Å; E50-Y53 WeakPolarHBondContact O-CB 3.39Å; E50-Y53 PolarHBondContact O-N 2.74Å; E50-Y53 VanDerWaalsContact O-N 3.08Å; Y53-N55 VanDerWaalsContact C-N 3.3Å; Y53-N55 PolarHBondContact O-N 3.27Å; Y53-M56 HydrophobicContact CD2-CE 3.63Å; Y53-M56 HydrophobicContact CE2-CE 4.23Å; Y53-M56 WeakPolarHBondContact O-CB 3.37Å; Y53-M56 PolarHBondContact O-N 3.08Å; Y53-M56 VanDerWaalsContact O-N 3.14Å; Y53-V57 HydrophobicContact CD1-CG2 4.26Å; Y53-V57 HydrophobicContact CD2-CG2 4.39Å; Y53-V57 HydrophobicContact CE1-CG2 3.78Å; Y53-V57 HydrophobicContact CE2-CG2 3.91Å; Y53-V57 WeakPolarHBondContact O-CG2 3.17Å; Y53-V57 PolarHBondContact O-N 2.8Å; Y53-R79 VanDerWaalsContact CD1-NH1 3.26Å; Y53-R79 HydrophobicContact CD2-CB 4.07Å; Y53-R79 HydrophobicContact CD2-CG 4.06Å; Y53-R79 HydrophobicContact CE2-CB 3.69Å; Y53-R79 HydrophobicContact CE2-CG 4.12Å; Y53-R79 HydrophobicContact CG-CG 4.48Å; Y53-D80 WeakPolarHBondContact CE2-O 3.38Å; Y53-D80 PolarHBondContact OH-O 2.91Å; Y53-D80 VanDerWaalsContact OH-O 3.05Å; Y53-F83 HydrophobicContact CE2-CE1 4.45Å
54	L	86.7	Confident	83.3	Confident	85 Å²	85	63 Å²	63	45%	0.445	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-37.8	178.3	-68.1	176.3	0	0	0	111.7	E50 D51 V57 K58	E50-L54 HydrophobicContact CG-CD1 3.93Å; E50-L54 HydrophobicContact CG-CG 4.37Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.18Å; E50-L54 WeakPolarHBondContact OE1-CG 3.48Å; D51-L54 PolarHBondContact O-N 3.06Å; L54-V57 PolarHBondContact O-N 2.88Å; L54-K58 WeakPolarHBondContact O-CB 3.41Å; L54-K58 PolarHBondContact O-N 3.09Å
55	N	83	Confident	84.1	Confident	55 Å²	55	58.5 Å²	58.5	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-67	-39	173.4	-171.5	43.1	0	0	0	112.3	D51 Y53 K58 T59	D51-N55 WeakPolarHBondContact O-CB 3.43Å; D51-N55 PolarHBondContact O-N 2.79Å; Y53-N55 VanDerWaalsContact C-N 3.3Å; Y53-N55 PolarHBondContact O-N 3.27Å; N55-K58 PolarHBondContact O-N 3.21Å; N55-T59 WeakPolarHBondContact O-CB 3.06Å; N55-T59 PolarHBondContact O-N 2.76Å; N55-T59 PolarHBondContact O-OG1 3.09Å
56	M	88.6	Confident	84.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-46.9	173.5	-178.7	-178.5	52.7	0	0	111.6	H52 Y53 T59 Y60 I72 V75 L81 F83	H52-M56 WeakPolarHBondContact O-CB 3.38Å; H52-M56 PolarHBondContact O-N 2.61Å; Y53-M56 HydrophobicContact CD2-CE 3.63Å; Y53-M56 HydrophobicContact CE2-CE 4.23Å; Y53-M56 WeakPolarHBondContact O-CB 3.37Å; Y53-M56 PolarHBondContact O-N 3.08Å; Y53-M56 VanDerWaalsContact O-N 3.14Å; M56-T59 PolarHBondContact O-N 3.24Å; M56-Y60 HydrophobicContact CG-CD2 3.58Å; M56-Y60 HydrophobicContact CG-CE2 3.8Å; M56-Y60 VanDerWaalsContact O-CD2 3.31Å; M56-Y60 WeakPolarHBondContact O-CD2 3.37Å; M56-Y60 PolarHBondContact O-N 3.45Å; M56-I72 HydrophobicContact SD-CG1 4.47Å; M56-I72 HydrophobicContact SD-CG2 4.26Å; M56-V75 HydrophobicContact CE-CG2 3.5Å; M56-V75 VanDerWaalsContact CE-CG2 3.5Å; M56-V75 HydrophobicContact SD-CG2 4.18Å; M56-L81 HydrophobicContact CE-CD2 3.85Å; M56-F83 HydrophobicContact CE-CZ 4.06Å; M56-F83 HydrophobicContact CG-CE2 4.25Å; M56-F83 HydrophobicContact CG-CZ 4.15Å; M56-F83 HydrophobicContact SD-CZ 4.42Å
57	V	89.9	Confident	86	Confident	41 Å²	41	51.9 Å²	51.9	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-49.2	173.7	172.9	0	0	0	0	110.6	Y53 L54 T59 S61 F83	Y53-V57 HydrophobicContact CD1-CG2 4.26Å; Y53-V57 HydrophobicContact CD2-CG2 4.39Å; Y53-V57 HydrophobicContact CE1-CG2 3.78Å; Y53-V57 HydrophobicContact CE2-CG2 3.91Å; Y53-V57 WeakPolarHBondContact O-CG2 3.17Å; Y53-V57 PolarHBondContact O-N 2.8Å; L54-V57 PolarHBondContact O-N 2.88Å; V57-T59 VanDerWaalsContact C-N 3.27Å; V57-T59 PolarHBondContact O-N 3.08Å; V57-S61 WeakPolarHBondContact O-CB 3.34Å; V57-S61 PolarHBondContact O-N 3.03Å; V57-F83 HydrophobicContact CG2-CD1 4.18Å; V57-F83 HydrophobicContact CG2-CE1 3.61Å; V57-F83 HydrophobicContact CG2-CZ 3.92Å
58	K	84.4	Confident	86.7	Confident	175 Å²	175	49.5 Å²	49.5	76%	0.761	25%	0.252	S	S	*	.	H	α-helix	trans	-59.6	-34.9	179.2	-177.8	-178.6	178.8	-176.9	0	113	L54 N55	L54-K58 WeakPolarHBondContact O-CB 3.41Å; L54-K58 PolarHBondContact O-N 3.09Å; N55-K58 PolarHBondContact O-N 3.21Å
59	T	83.4	Confident	87	Confident	36 Å²	36	46.8 Å²	46.8	22%	0.221	24%	0.237	C	C	.	.	H	α-helix	trans	-80.7	-46.1	-178.2	-60	0	0	0	0	112.6	C36 F39 N55 M56 V57	C36-T59 VanDerWaalsContact CB-O 3.29Å; C36-T59 WeakPolarHBondContact CB-O 3.41Å; F39-T59 HydrophobicContact CD1-CG2 4.22Å; F39-T59 HydrophobicContact CE1-CG2 4.39Å; N55-T59 WeakPolarHBondContact O-CB 3.06Å; N55-T59 PolarHBondContact O-N 2.76Å; N55-T59 PolarHBondContact O-OG1 3.09Å; M56-T59 PolarHBondContact O-N 3.24Å; V57-T59 VanDerWaalsContact C-N 3.27Å; V57-T59 PolarHBondContact O-N 3.08Å
60	Y	92.2	Very high	87.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-99.6	-6	-171.3	-56.8	-60.2	0	0	0	114.6	F39 M56 N62 C63 V66 N69 L70 E71 L84 I87	F39-Y60 HydrophobicContact CD1-CE2 4.41Å; F39-Y60 AromaticContact CE1-CE2 3.48Å; F39-Y60 HydrophobicContact CE1-CE2 3.48Å; F39-Y60 VanDerWaalsContact CE1-CE2 3.48Å; F39-Y60 AromaticContact CE1-CZ 3.63Å; F39-Y60 VanDerWaalsContact CE1-OH 3.26Å; F39-Y60 WeakPolarHBondContact CE1-OH 3.26Å; F39-Y60 AromaticContact CZ-CE2 3.79Å; F39-Y60 HydrophobicContact CZ-CE2 3.79Å; M56-Y60 HydrophobicContact CG-CD2 3.58Å; M56-Y60 HydrophobicContact CG-CE2 3.8Å; M56-Y60 VanDerWaalsContact O-CD2 3.31Å; M56-Y60 WeakPolarHBondContact O-CD2 3.37Å; M56-Y60 PolarHBondContact O-N 3.45Å; Y60-N62 PolarHBondContact O-N 2.92Å; Y60-C63 VanDerWaalsContact O-CB 3.26Å; Y60-C63 WeakPolarHBondContact O-CB 3.41Å; Y60-C63 PolarHBondContact O-N 2.84Å; Y60-V66 HydrophobicContact CD1-CG2 4.32Å; Y60-V66 HydrophobicContact CE1-CG1 4.24Å; Y60-V66 HydrophobicContact CE1-CG2 4.21Å; Y60-N69 PolarHBondContact OH-O 3.23Å; Y60-L70 HydrophobicContact CD1-CD1 4.06Å; Y60-L70 HydrophobicContact CD2-CD1 4.19Å; Y60-L70 HydrophobicContact CE1-CD1 3.69Å; Y60-L70 HydrophobicContact CE2-CD1 3.83Å; Y60-L70 HydrophobicContact CG-CD1 4.32Å; Y60-E71 PolarHBondContact OH-N 3Å; Y60-L84 HydrophobicContact CD2-CD2 4.41Å; Y60-I87 HydrophobicContact CD1-CD1 4.38Å; Y60-I87 HydrophobicContact CG-CD1 4.49Å
61	S	90.2	Very high	87.9	Confident	43 Å²	43	39 Å²	39	30%	0.301	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	122.5	178.6	178.3	0	0	0	0	112.5	K34 V57 C63	K34-S61 PolarHBondContact NZ-O 2.86Å; V57-S61 WeakPolarHBondContact O-CB 3.34Å; V57-S61 PolarHBondContact O-N 3.03Å; S61-C63 PolarHBondContact O-N 3.05Å
62	N	88.6	Confident	88.5	Confident	109 Å²	109	35 Å²	35	58%	0.583	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	23.5	-171.6	-56.9	-22.9	0	0	0	114.3	K34 Y60 S86	K34-N62 WeakPolarHBondContact CB-O 3.46Å; K34-N62 HydrophobicContact CD-CB 4.24Å; K34-N62 WeakPolarHBondContact CD-O 3.32Å; Y60-N62 PolarHBondContact O-N 2.92Å; N62-S86 WeakPolarHBondContact CA-OG 3.43Å
63	C	90.8	Very high	88.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.			trans	-84.3	127.6	178.4	-178.8	0	0	0	0	111.6	C36 Y60 S61 I65 S86 I87	C36-C63 HydrophobicContact CB-CB 3.73Å; C36-C63 WeakPolarHBondContact CB-SG 3.4Å; C36-C63 PolarHBondContact N-SG 3.37Å; C36-C63 WeakPolarHBondContact SG-CB 3.23Å; C36-C63 CovalentContact SG-SG 2.03Å; C36-C63 PolarHBondContact SG-SG 3.11Å; Y60-C63 VanDerWaalsContact O-CB 3.26Å; Y60-C63 WeakPolarHBondContact O-CB 3.41Å; Y60-C63 PolarHBondContact O-N 2.84Å; S61-C63 PolarHBondContact O-N 3.05Å; C63-I65 PolarHBondContact SG-O 3.32Å; C63-S86 PolarHBondContact N-OG 2.7Å; C63-S86 CarbonylContact O-C 3.6Å; C63-S86 PolarHBondContact O-OG 3.13Å; C63-I87 VanDerWaalsContact O-CA 3.29Å; C63-I87 WeakPolarHBondContact O-CA 3.16Å; C63-I87 WeakPolarHBondContact O-CG1 3.45Å; C63-I87 PolarHBondContact O-N 3.21Å
64	T	91.8	Very high	88.9	Confident	28 Å²	28	36 Å²	36	17%	0.172	18%	0.184	C	C	.	.			trans	-101.1	-30.4	178.2	63.4	0	0	0	0	113.5	K33 K34 S86 E88 E89	K33-T64 VanDerWaalsContact C-OG1 3.25Å; K33-T64 WeakPolarHBondContact CA-OG1 3.44Å; K33-T64 WeakPolarHBondContact CB-OG1 3.35Å; K34-T64 PolarHBondContact N-OG1 3.44Å; K34-T64 PolarHBondContact O-N 3.19Å; K34-T64 PolarHBondContact O-OG1 2.9Å; T64-S86 WeakPolarHBondContact CA-O 3.28Å; T64-E88 PolarHBondContact O-N 2.93Å; T64-E89 PolarHBondContact O-N 3.33Å; T64-E89 VanDerWaalsContact O-N 3.17Å
65	I	90.3	Very high	89.1	Confident	16 Å²	16	32.1 Å²	32.1	8%	0.082	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.1	-179	-55.3	173.8	0	0	0	109.6	K33 K34 V35 C36 C63 E89	K33-I65 HydrophobicContact CB-CD1 4.06Å; K33-I65 HydrophobicContact CD-CD1 4Å; K33-I65 HydrophobicContact CD-CG1 4.41Å; K34-I65 PolarHBondContact O-N 3.21Å; V35-I65 WeakPolarHBondContact CA-O 3.18Å; V35-I65 HydrophobicContact CG2-CB 4.38Å; C36-I65 PolarHBondContact N-O 3.14Å; C63-I65 PolarHBondContact SG-O 3.32Å; I65-E89 WeakPolarHBondContact CA-O 3.27Å; I65-E89 HydrophobicContact CG1-CB 4.35Å; I65-E89 HydrophobicContact CG2-CB 4.36Å; I65-E89 HydrophobicContact CG2-CG 4.18Å
66	V	89.7	Confident	89.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.2	173.4	-170.8	0	0	0	0	109.8	C36 Y60 I87 E89 V90 S91	C36-V66 WeakPolarHBondContact O-CA 3.26Å; Y60-V66 HydrophobicContact CD1-CG2 4.32Å; Y60-V66 HydrophobicContact CE1-CG1 4.24Å; Y60-V66 HydrophobicContact CE1-CG2 4.21Å; V66-I87 HydrophobicContact CG2-CD1 4.47Å; V66-I87 HydrophobicContact CG2-CG2 4.11Å; V66-E89 PolarHBondContact N-O 2.95Å; V66-V90 HydrophobicContact CB-CG1 4.41Å; V66-V90 HydrophobicContact CB-CG2 4.18Å; V66-V90 HydrophobicContact CG2-CG2 4.08Å; V66-S91 VanDerWaalsContact O-CB 3.26Å; V66-S91 WeakPolarHBondContact O-CB 3.46Å; V66-S91 PolarHBondContact O-N 2.82Å; V66-S91 PolarHBondContact O-OG 2.03Å
67	L	81.7	Confident	89.2	Confident	38 Å²	38	36.9 Å²	36.9	20%	0.199	19%	0.185	C	C	.	.	S	Bend	trans	-83.5	-30	-176.8	-65.6	179.9	0	0	0	114.7	V35 C36 Q37 S91 F292	V35-L67 HydrophobicContact CG1-CD1 3.66Å; V35-L67 HydrophobicContact CG1-CD2 3.71Å; V35-L67 HydrophobicContact CG1-CG 3.45Å; V35-L67 VanDerWaalsContact CG1-CG 3.45Å; C36-L67 PolarHBondContact O-N 2.66Å; Q37-L67 PolarHBondContact O-N 3.33Å; L67-S91 VanDerWaalsContact O-CB 3.28Å; L67-S91 WeakPolarHBondContact O-CB 3.01Å; L67-F292 HydrophobicContact CD1-CE2 4.32Å; L67-F292 HydrophobicContact CD1-CZ 3.97Å
68	E	83.6	Confident	89	Confident	66 Å²	66	42 Å²	42	31%	0.308	21%	0.205	S	C	.	.	S	Bend	trans	-106.7	-126.8	170.4	-61.5	-177.3	-162.6	0	0	109.4	Q37 T40 G92	Q37-E68 HydrophobicContact CG-CG 4.28Å; Q37-E68 PolarHBondContact NE2-OE1 2.83Å; Q37-E68 WeakPolarHBondContact O-CA 3.19Å; Q37-E68 VanDerWaalsContact O-CB 3.31Å; Q37-E68 WeakPolarHBondContact O-CB 3.41Å; Q37-E68 PolarHBondContact O-N 3.49Å; T40-E68 PolarHBondContact OG1-OE2 3.13Å; T40-E68 VanDerWaalsContact OG1-OE2 3.13Å; E68-G92 VanDerWaalsContact O-CA 3.27Å; E68-G92 WeakPolarHBondContact O-CA 3.41Å; E68-G92 PolarHBondContact O-N 3.34Å
69	N	89.1	Confident	89.2	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.016	18%	0.175	C	C	.	.			trans	-103.4	148.3	-173.7	-41.4	-63.1	0	0	0	110.5	G38 F39 T40 Y60 E71 Y93 S116	G38-N69 WeakPolarHBondContact CA-O 3.43Å; F39-N69 PolarHBondContact N-O 2.75Å; T40-N69 PolarHBondContact OG1-ND2 3.27Å; Y60-N69 PolarHBondContact OH-O 3.23Å; N69-E71 HydrophobicContact CB-CG 4.21Å; N69-Y93 CarbonylContact C-O 3.52Å; N69-Y93 VanDerWaalsContact CA-O 3.25Å; N69-Y93 WeakPolarHBondContact CA-O 3.03Å; N69-Y93 HydrophobicContact CB-CD1 4.23Å; N69-Y93 HydrophobicContact CB-CD2 3.96Å; N69-Y93 HydrophobicContact CB-CE1 4.1Å; N69-Y93 HydrophobicContact CB-CE2 3.83Å; N69-Y93 HydrophobicContact CB-CG 4.16Å; N69-Y93 WeakPolarHBondContact CB-O 3.26Å; N69-Y93 WeakPolarHBondContact OD1-CD1 3.24Å; N69-Y93 WeakPolarHBondContact OD1-CE1 3Å; N69-Y93 PolarHBondContact OD1-N 2.71Å; N69-S116 PolarHBondContact OD1-OG 3.31Å
70	L	94.8	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	101.8	169.8	173.3	59.2	0	0	0	108.3	Y60 I72 L84 I87 V90 Y93 V94 L95 L106	Y60-L70 HydrophobicContact CD1-CD1 4.06Å; Y60-L70 HydrophobicContact CD2-CD1 4.19Å; Y60-L70 HydrophobicContact CE1-CD1 3.69Å; Y60-L70 HydrophobicContact CE2-CD1 3.83Å; Y60-L70 HydrophobicContact CG-CD1 4.32Å; L70-I72 HydrophobicContact CD1-CD1 4.31Å; L70-I72 HydrophobicContact CD1-CG1 4.14Å; L70-I72 HydrophobicContact CD2-CD1 4.45Å; L70-I72 HydrophobicContact CG-CD1 4.27Å; L70-I72 HydrophobicContact CG-CG1 4.38Å; L70-L84 HydrophobicContact CD1-CD2 4.49Å; L70-I87 HydrophobicContact CD1-CD1 3.85Å; L70-I87 HydrophobicContact CD2-CD1 3.93Å; L70-V90 HydrophobicContact CB-CG1 4.1Å; L70-V90 HydrophobicContact CB-CG2 3.82Å; L70-V90 HydrophobicContact CD2-CG2 3.87Å; L70-Y93 PolarHBondContact N-O 3.27Å; L70-V94 HydrophobicContact CB-CG2 4.28Å; L70-V94 HydrophobicContact CD2-CG1 4.32Å; L70-V94 HydrophobicContact CD2-CG2 4.44Å; L70-V94 HydrophobicContact CG-CG1 4.44Å; L70-V94 CarbonylContact O-C 3.59Å; L70-V94 WeakPolarHBondContact O-CA 3.32Å; L70-L95 PolarHBondContact O-N 3.21Å; L70-L106 HydrophobicContact CD2-CD1 4.28Å; L70-L106 HydrophobicContact CD2-CD2 3.84Å
71	E	93.8	Very high	89.7	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.6	178.2	-55.7	-173.7	146.8	0	0	109.9	F39 N41 R42 Y60 N69 Y93 L95	F39-E71 HydrophobicContact CD2-CB 4.04Å; F39-E71 HydrophobicContact CD2-CG 4.46Å; F39-E71 WeakPolarHBondContact CD2-OE2 3.45Å; F39-E71 HydrophobicContact CE2-CB 3.68Å; F39-E71 WeakPolarHBondContact CZ-O 3.33Å; N41-E71 WeakPolarHBondContact CA-OE2 3.17Å; N41-E71 PolarHBondContact N-OE2 2.89Å; R42-E71 VanDerWaalsContact CA-OE1 3.28Å; R42-E71 WeakPolarHBondContact CA-OE1 3.04Å; R42-E71 VanDerWaalsContact N-CD 3.29Å; R42-E71 PolarHBondContact N-OE1 2.73Å; R42-E71 PolarHBondContact N-OE2 3.01Å; Y60-E71 PolarHBondContact OH-N 3Å; N69-E71 HydrophobicContact CB-CG 4.21Å; E71-Y93 HydrophobicContact CG-CE2 4.21Å; E71-Y93 PolarHBondContact OE1-OH 2.95Å; E71-L95 WeakPolarHBondContact CA-O 3.41Å; E71-L95 HydrophobicContact CG-CB 4.21Å; E71-L95 HydrophobicContact CG-CD2 4.4Å
72	I	94.1	Very high	89.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	101.2	178.1	-59.4	162.3	0	0	0	106.6	M56 L70 V75 L84 L95 I96 A97 N99 I104 L106	M56-I72 HydrophobicContact SD-CG1 4.47Å; M56-I72 HydrophobicContact SD-CG2 4.26Å; L70-I72 HydrophobicContact CD1-CD1 4.31Å; L70-I72 HydrophobicContact CD1-CG1 4.14Å; L70-I72 HydrophobicContact CD2-CD1 4.45Å; L70-I72 HydrophobicContact CG-CD1 4.27Å; L70-I72 HydrophobicContact CG-CG1 4.38Å; I72-V75 HydrophobicContact CG2-CG2 4.02Å; I72-L84 HydrophobicContact CD1-CD1 3.6Å; I72-L84 HydrophobicContact CD1-CD2 4.45Å; I72-L84 HydrophobicContact CG1-CD1 4.18Å; I72-L95 PolarHBondContact N-O 3.03Å; I72-I96 HydrophobicContact CB-CG1 4.48Å; I72-I96 HydrophobicContact CD1-CG1 4.32Å; I72-I96 WeakPolarHBondContact O-CA 3.29Å; I72-A97 PolarHBondContact O-N 3.49Å; I72-N99 PolarHBondContact O-ND2 3.44Å; I72-I104 HydrophobicContact CD1-CG2 4.21Å; I72-L106 HydrophobicContact CD1-CD1 3.91Å; I72-L106 HydrophobicContact CD1-CD2 4.49Å; I72-L106 HydrophobicContact CD1-CG 4.47Å
73	T	91.6	Very high	90	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.1	-174.2	58.9	0	0	0	0	113.1	H52 V75 A97 N99	H52-T73 PolarHBondContact CD2-O 3.38Å; H52-T73 PolarHBondContact CE1-OG1 2.99Å; H52-T73 PolarHBondContact NE2-O 3.24Å; H52-T73 VanDerWaalsContact NE2-O 3.16Å; H52-T73 PolarHBondContact NE2-OG1 3.1Å; T73-V75 PolarHBondContact O-N 3.13Å; T73-V75 VanDerWaalsContact O-N 3.16Å; T73-A97 WeakPolarHBondContact CA-O 3.41Å; T73-A97 WeakPolarHBondContact CB-O 3.23Å; T73-A97 HydrophobicContact CG2-CB 4.05Å; T73-A97 WeakPolarHBondContact CG2-O 3.38Å; T73-N99 VanDerWaalsContact CA-OD1 3.29Å; T73-N99 WeakPolarHBondContact CA-OD1 3.22Å
74	Y	89.8	Confident	90.2	Very high	60 Å²	60	34.5 Å²	34.5	24%	0.235	17%	0.17	C	C	.	.	S	Bend	trans	59.7	17.8	177.1	-60.3	-73.7	0	0	0	116.4	V43 L45 A97 L98 N99	V43-Y74 PolarHBondContact O-OH 3.13Å; L45-Y74 HydrophobicContact CB-CD2 4.31Å; L45-Y74 HydrophobicContact CB-CE2 4.01Å; L45-Y74 HydrophobicContact CD1-CD2 3.72Å; L45-Y74 HydrophobicContact CD1-CE2 4.3Å; L45-Y74 HydrophobicContact CD1-CG 3.96Å; Y74-A97 PolarHBondContact N-O 2.87Å; Y74-L98 HydrophobicContact CD1-CB 4.12Å; Y74-L98 HydrophobicContact CE1-CB 4.02Å; Y74-L98 HydrophobicContact CE1-CD1 3.67Å; Y74-L98 HydrophobicContact CE1-CG 4.49Å; Y74-L98 HydrophobicContact CE2-CD1 4.39Å; Y74-L98 WeakPolarHBondContact OH-CD1 3.41Å; Y74-N99 PolarHBondContact N-OD1 3.09Å
75	V	90.4	Very high	90.3	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	18%	0.177	C	C	.	.			trans	-73.9	128.1	-179.3	-173.4	0	0	0	0	111.4	M56 I72 T73 R79 L81 N99 T100 V101	M56-V75 HydrophobicContact CE-CG2 3.5Å; M56-V75 VanDerWaalsContact CE-CG2 3.5Å; M56-V75 HydrophobicContact SD-CG2 4.18Å; I72-V75 HydrophobicContact CG2-CG2 4.02Å; T73-V75 PolarHBondContact O-N 3.13Å; T73-V75 VanDerWaalsContact O-N 3.16Å; V75-R79 HydrophobicContact CG1-CB 3.69Å; V75-R79 HydrophobicContact CG1-CG 4.08Å; V75-L81 HydrophobicContact CG1-CD1 4.21Å; V75-L81 HydrophobicContact CG1-CD2 4.07Å; V75-L81 HydrophobicContact CG1-CG 4.23Å; V75-L81 HydrophobicContact CG2-CD2 4.43Å; V75-N99 HydrophobicContact CB-CB 4.37Å; V75-N99 WeakPolarHBondContact CB-OD1 3.37Å; V75-N99 VanDerWaalsContact CG2-OD1 3.31Å; V75-N99 WeakPolarHBondContact CG2-OD1 3.06Å; V75-N99 PolarHBondContact N-OD1 2.95Å; V75-N99 WeakPolarHBondContact O-CA 3.35Å; V75-T100 PolarHBondContact O-N 2.98Å; V75-V101 HydrophobicContact CB-CG1 4.26Å; V75-V101 HydrophobicContact CG1-CB 4.17Å; V75-V101 HydrophobicContact CG1-CG1 4.06Å; V75-V101 PolarHBondContact O-N 3.33Å
76	E	88.9	Confident	90.5	Very high	45 Å²	45	37.5 Å²	37.5	21%	0.21	18%	0.184	C	C	.	.			trans	-92.8	159.3	-177.9	-59.1	-174.6	129.7	0	0	113	K49 H78 R79 T100	K49-E76 HydrophobicContact CD-CG 3.94Å; K49-E76 WeakPolarHBondContact CD-OE1 3.1Å; K49-E76 WeakPolarHBondContact CE-OE1 3.5Å; K49-E76 IonicContact NZ-OE1 2.65Å; K49-E76 PolarHBondContact NZ-OE1 3.25Å; E76-H78 VanDerWaalsContact C-N 3.29Å; E76-H78 VanDerWaalsContact CB-CE1 3.4Å; E76-H78 WeakPolarHBondContact CB-CE1 3.35Å; E76-H78 PolarHBondContact O-N 2.89Å; E76-H78 IonicContact OE2-CE1 3.45Å; E76-H78 PolarHBondContact OE2-CE1 2.03Å; E76-R79 HydrophobicContact CB-CG 4.25Å; E76-R79 VanDerWaalsContact O-CB 3.26Å; E76-R79 WeakPolarHBondContact O-CB 3.38Å; E76-R79 VanDerWaalsContact O-CG 3.28Å; E76-R79 WeakPolarHBondContact O-CG 3.41Å; E76-R79 PolarHBondContact O-N 3.46Å; E76-R79 VanDerWaalsContact O-N 3.11Å; E76-T100 WeakPolarHBondContact CA-OG1 3.44Å
77	E	84.4	Confident	90.7	Very high	110 Å²	110	37.5 Å²	37.5	51%	0.514	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32	-170.8	-171.8	174.6	-163.7	0	0	115.2	R79 T100	E77-R79 PolarHBondContact O-N 3.22Å; E77-T100 PolarHBondContact N-OG1 3.31Å
78	H	84.9	Confident	91.4	Very high	147 Å²	147	37.3 Å²	37.3	68%	0.681	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	6.5	180	63.6	-87.6	0	0	0	114.5	E76	E76-H78 VanDerWaalsContact C-N 3.29Å; E76-H78 VanDerWaalsContact CB-CE1 3.4Å; E76-H78 WeakPolarHBondContact CB-CE1 3.35Å; E76-H78 PolarHBondContact O-N 2.89Å; E76-H78 IonicContact OE2-CE1 3.45Å; E76-H78 PolarHBondContact OE2-CE1 2.03Å
79	R	89.5	Confident	91.8	Very high	32 Å²	32	35.1 Å²	35.1	12%	0.121	17%	0.172	C	C	.	.			trans	-94.7	135.9	-174.7	-60.7	-67.6	175.7	171.6	-9.3	112	E50 Y53 V75 E76 E77	E50-R79 IonicContact OE1-CZ 2.73Å; E50-R79 IonicContact OE1-NH1 3.31Å; E50-R79 PolarHBondContact OE1-NH1 3.44Å; E50-R79 IonicContact OE1-NH2 3.2Å; E50-R79 IonicContact OE2-CZ 2.71Å; E50-R79 VanDerWaalsContact OE2-CZ 3.31Å; E50-R79 IonicContact OE2-NH1 3.4Å; E50-R79 PolarHBondContact OE2-NH1 2.87Å; E50-R79 IonicContact OE2-NH2 2.65Å; E50-R79 PolarHBondContact OE2-NH2 2.65Å; Y53-R79 VanDerWaalsContact CD1-NH1 3.26Å; Y53-R79 HydrophobicContact CD2-CB 4.07Å; Y53-R79 HydrophobicContact CD2-CG 4.06Å; Y53-R79 HydrophobicContact CE2-CB 3.69Å; Y53-R79 HydrophobicContact CE2-CG 4.12Å; Y53-R79 HydrophobicContact CG-CG 4.48Å; V75-R79 HydrophobicContact CG1-CB 3.69Å; V75-R79 HydrophobicContact CG1-CG 4.08Å; E76-R79 HydrophobicContact CB-CG 4.25Å; E76-R79 VanDerWaalsContact O-CB 3.26Å; E76-R79 WeakPolarHBondContact O-CB 3.38Å; E76-R79 VanDerWaalsContact O-CG 3.28Å; E76-R79 WeakPolarHBondContact O-CG 3.41Å; E76-R79 PolarHBondContact O-N 3.46Å; E76-R79 VanDerWaalsContact O-N 3.11Å; E77-R79 PolarHBondContact O-N 3.22Å
80	D	91.9	Very high	92.1	Very high	90 Å²	90	35 Å²	35	48%	0.481	17%	0.171	S	C	.	.			trans	-78	138.4	170.2	-177.4	27.2	0	0	0	110.8	Y53 S82 F83	Y53-D80 WeakPolarHBondContact CE2-O 3.38Å; Y53-D80 PolarHBondContact OH-O 2.91Å; Y53-D80 VanDerWaalsContact OH-O 3.05Å; D80-S82 VanDerWaalsContact OD1-CB 3.23Å; D80-S82 WeakPolarHBondContact OD1-CB 3.45Å; D80-S82 PolarHBondContact OD1-N 3.4Å; D80-S82 PolarHBondContact OD1-OG 3.35Å; D80-S82 VanDerWaalsContact OD2-CB 3.32Å; D80-S82 WeakPolarHBondContact OD2-CB 3.19Å; D80-S82 PolarHBondContact OD2-OG 3.25Å; D80-F83 WeakPolarHBondContact O-CE1 3.36Å
81	L	93.8	Very high	91.9	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	17%	0.174	C	C	.	.			trans	-120.7	11.7	173.8	-71.8	-175.4	0	0	0	112.6	M56 V75 F83 L84 V101 I104 P105	M56-L81 HydrophobicContact CE-CD2 3.85Å; V75-L81 HydrophobicContact CG1-CD1 4.21Å; V75-L81 HydrophobicContact CG1-CD2 4.07Å; V75-L81 HydrophobicContact CG1-CG 4.23Å; V75-L81 HydrophobicContact CG2-CD2 4.43Å; L81-F83 HydrophobicContact CD2-CE1 3.97Å; L81-F83 HydrophobicContact CD2-CZ 3.89Å; L81-F83 PolarHBondContact O-N 2.77Å; L81-F83 VanDerWaalsContact O-N 3.08Å; L81-L84 HydrophobicContact CB-CD1 4.12Å; L81-L84 HydrophobicContact CD1-CD1 4.21Å; L81-L84 HydrophobicContact CD2-CD1 4.02Å; L81-L84 HydrophobicContact CG-CD1 4.36Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 2.87Å; L81-V101 HydrophobicContact CD1-CG1 3.86Å; L81-I104 HydrophobicContact CD1-CG1 4.03Å; L81-P105 HydrophobicContact CB-CG 4.11Å; L81-P105 WeakPolarHBondContact O-CG 3.44Å
82	S	93	Very high	91.7	Very high	56 Å²	56	35.4 Å²	35.4	39%	0.392	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-51.2	-35	-177.7	68.4	0	0	0	0	113.9	D80 L84 K85	D80-S82 VanDerWaalsContact OD1-CB 3.23Å; D80-S82 WeakPolarHBondContact OD1-CB 3.45Å; D80-S82 PolarHBondContact OD1-N 3.4Å; D80-S82 PolarHBondContact OD1-OG 3.35Å; D80-S82 VanDerWaalsContact OD2-CB 3.32Å; D80-S82 WeakPolarHBondContact OD2-CB 3.19Å; D80-S82 PolarHBondContact OD2-OG 3.25Å; S82-L84 PolarHBondContact O-N 3.44Å; S82-K85 VanDerWaalsContact O-CB 3.26Å; S82-K85 WeakPolarHBondContact O-CB 3.24Å; S82-K85 WeakPolarHBondContact O-CG 3.45Å; S82-K85 PolarHBondContact O-N 3.17Å; S82-K85 VanDerWaalsContact O-N 3.09Å
83	F	92.7	Very high	91.7	Very high	23 Å²	23	35.7 Å²	35.7	10%	0.101	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-59.9	-28.6	179	64.2	-90.1	0	0	0	113.6	Y53 M56 V57 D80 L81 K85 S86	Y53-F83 HydrophobicContact CE2-CE1 4.45Å; M56-F83 HydrophobicContact CE-CZ 4.06Å; M56-F83 HydrophobicContact CG-CE2 4.25Å; M56-F83 HydrophobicContact CG-CZ 4.15Å; M56-F83 HydrophobicContact SD-CZ 4.42Å; V57-F83 HydrophobicContact CG2-CD1 4.18Å; V57-F83 HydrophobicContact CG2-CE1 3.61Å; V57-F83 HydrophobicContact CG2-CZ 3.92Å; D80-F83 WeakPolarHBondContact O-CE1 3.36Å; L81-F83 HydrophobicContact CD2-CE1 3.97Å; L81-F83 HydrophobicContact CD2-CZ 3.89Å; L81-F83 PolarHBondContact O-N 2.77Å; L81-F83 VanDerWaalsContact O-N 3.08Å; F83-K85 PolarHBondContact O-N 3.31Å; F83-S86 PolarHBondContact O-N 3.03Å; F83-S86 PolarHBondContact O-OG 3.2Å
84	L	94.8	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-64.2	-22	177.1	-64.9	-178.2	0	0	0	113	Y60 L70 I72 L81 S82 S86 I87 I104 L106	Y60-L84 HydrophobicContact CD2-CD2 4.41Å; L70-L84 HydrophobicContact CD1-CD2 4.49Å; I72-L84 HydrophobicContact CD1-CD1 3.6Å; I72-L84 HydrophobicContact CD1-CD2 4.45Å; I72-L84 HydrophobicContact CG1-CD1 4.18Å; L81-L84 HydrophobicContact CB-CD1 4.12Å; L81-L84 HydrophobicContact CD1-CD1 4.21Å; L81-L84 HydrophobicContact CD2-CD1 4.02Å; L81-L84 HydrophobicContact CG-CD1 4.36Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact O-N 3.44Å; L84-S86 PolarHBondContact O-N 2.92Å; L84-I87 HydrophobicContact CD2-CD1 3.85Å; L84-I87 PolarHBondContact O-N 3.35Å; L84-I87 VanDerWaalsContact O-N 3.13Å; L84-I104 HydrophobicContact CD1-CG2 4.4Å; L84-L106 HydrophobicContact CB-CD2 3.97Å; L84-L106 HydrophobicContact CD1-CD2 4.47Å
85	K	93.5	Very high	92.3	Very high	75 Å²	75	32.8 Å²	32.8	33%	0.326	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-60	-16.4	174.4	-67.3	169.9	174.8	-92.4	0	113.2	S82 F83 P105 E107 N108	S82-K85 VanDerWaalsContact O-CB 3.26Å; S82-K85 WeakPolarHBondContact O-CB 3.24Å; S82-K85 WeakPolarHBondContact O-CG 3.45Å; S82-K85 PolarHBondContact O-N 3.17Å; S82-K85 VanDerWaalsContact O-N 3.09Å; F83-K85 PolarHBondContact O-N 3.31Å; K85-P105 HydrophobicContact CG-CB 3.99Å; K85-P105 HydrophobicContact CG-CG 4.33Å; K85-P105 PolarHBondContact N-O 3.15Å; K85-E107 IonicContact NZ-OE1 2.79Å; K85-E107 PolarHBondContact NZ-OE1 2.82Å; K85-E107 IonicContact NZ-OE2 3.73Å; K85-E107 PolarHBondContact NZ-OE2 3.49Å; K85-N108 PolarHBondContact O-ND2 2.96Å
86	S	94.2	Very high	92.5	Very high	33 Å²	33	32.7 Å²	32.7	23%	0.231	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-78	-16.4	177.8	59.1	0	0	0	0	114.4	N62 C63 T64 F83 L84	N62-S86 WeakPolarHBondContact CA-OG 3.43Å; C63-S86 PolarHBondContact N-OG 2.7Å; C63-S86 CarbonylContact O-C 3.6Å; C63-S86 PolarHBondContact O-OG 3.13Å; T64-S86 WeakPolarHBondContact CA-O 3.28Å; F83-S86 PolarHBondContact O-N 3.03Å; F83-S86 PolarHBondContact O-OG 3.2Å; L84-S86 PolarHBondContact O-N 2.92Å
87	I	95.4	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.			trans	-79.5	126.1	-174.1	-55.2	172.9	0	0	0	111	Y60 C63 V66 L70 L84 V90 L106 N108 L109	Y60-I87 HydrophobicContact CD1-CD1 4.38Å; Y60-I87 HydrophobicContact CG-CD1 4.49Å; C63-I87 VanDerWaalsContact O-CA 3.29Å; C63-I87 WeakPolarHBondContact O-CA 3.16Å; C63-I87 WeakPolarHBondContact O-CG1 3.45Å; C63-I87 PolarHBondContact O-N 3.21Å; V66-I87 HydrophobicContact CG2-CD1 4.47Å; V66-I87 HydrophobicContact CG2-CG2 4.11Å; L70-I87 HydrophobicContact CD1-CD1 3.85Å; L70-I87 HydrophobicContact CD2-CD1 3.93Å; L84-I87 HydrophobicContact CD2-CD1 3.85Å; L84-I87 PolarHBondContact O-N 3.35Å; L84-I87 VanDerWaalsContact O-N 3.13Å; I87-V90 HydrophobicContact CG2-CG2 4.18Å; I87-L106 HydrophobicContact CD1-CD2 4.3Å; I87-N108 CarbonylContact O-C 3.55Å; I87-N108 VanDerWaalsContact O-C 3.28Å; I87-L109 HydrophobicContact CG2-CD1 4.3Å; I87-L109 WeakPolarHBondContact O-CA 3.4Å; I87-L109 PolarHBondContact O-N 2.98Å
88	E	94.6	Very high	92.9	Very high	34 Å²	34	28.7 Å²	28.7	16%	0.159	15%	0.147	C	C	.	.			trans	-109.2	-27.6	174.8	-60.8	-164	134.5	0	0	113.7	K33 T64 R110	K33-E88 WeakPolarHBondContact CE-OE2 3.18Å; K33-E88 IonicContact NZ-OE2 3.62Å; K33-E88 PolarHBondContact NZ-OE2 2.57Å; T64-E88 PolarHBondContact O-N 2.93Å; E88-R110 PolarHBondContact O-N 3.36Å; E88-R110 IonicContact OE1-CZ 2.86Å; E88-R110 IonicContact OE1-NE 3.72Å; E88-R110 PolarHBondContact OE1-NE 2.98Å; E88-R110 IonicContact OE1-NH2 2.64Å; E88-R110 PolarHBondContact OE1-NH2 2.04Å
89	E	93.6	Very high	93.2	Very high	19 Å²	19	21.7 Å²	21.7	9%	0.089	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137.7	-171.8	172.3	165.4	139.8	0	0	112.5	T64 I65 V66 I111 R113	T64-E89 PolarHBondContact O-N 3.33Å; T64-E89 VanDerWaalsContact O-N 3.17Å; I65-E89 WeakPolarHBondContact CA-O 3.27Å; I65-E89 HydrophobicContact CG1-CB 4.35Å; I65-E89 HydrophobicContact CG2-CB 4.36Å; I65-E89 HydrophobicContact CG2-CG 4.18Å; V66-E89 PolarHBondContact N-O 2.95Å; E89-I111 HydrophobicContact CB-CG2 3.9Å; E89-I111 HydrophobicContact CG-CG2 3.8Å; E89-R113 VanDerWaalsContact CD-NE 3.26Å; E89-R113 VanDerWaalsContact CD-NH2 3.29Å; E89-R113 IonicContact OE1-CZ 2.8Å; E89-R113 IonicContact OE1-NE 2.66Å; E89-R113 PolarHBondContact OE1-NE 2.98Å; E89-R113 IonicContact OE1-NH2 2.72Å; E89-R113 PolarHBondContact OE1-NH2 3.48Å; E89-R113 IonicContact OE2-CZ 2.73Å; E89-R113 IonicContact OE2-NE 2.72Å; E89-R113 IonicContact OE2-NH2 3.05Å; E89-R113 PolarHBondContact OE2-NH2 2.81Å
90	V	95.1	Very high	93.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.7	171.4	178.1	0	0	0	0	110	V66 L70 I87 V94 L109 I111 I112 R113	V66-V90 HydrophobicContact CB-CG1 4.41Å; V66-V90 HydrophobicContact CB-CG2 4.18Å; V66-V90 HydrophobicContact CG2-CG2 4.08Å; L70-V90 HydrophobicContact CB-CG1 4.1Å; L70-V90 HydrophobicContact CB-CG2 3.82Å; L70-V90 HydrophobicContact CD2-CG2 3.87Å; I87-V90 HydrophobicContact CG2-CG2 4.18Å; V90-V94 HydrophobicContact CB-CG2 4.12Å; V90-V94 HydrophobicContact CG1-CG2 4.02Å; V90-V94 HydrophobicContact CG2-CG2 4.04Å; V90-L109 HydrophobicContact CG2-CD1 3.91Å; V90-I111 PolarHBondContact N-O 2.92Å; V90-I111 VanDerWaalsContact N-O 3.12Å; V90-I112 CarbonylContact O-C 3.5Å; V90-I112 WeakPolarHBondContact O-CA 3.37Å; V90-R113 PolarHBondContact O-N 3.07Å
91	S	90.5	Very high	93.1	Very high	8 Å²	8	18 Å²	18	6%	0.056	10%	0.099	C	C	.	.	S	Bend	trans	-80.4	-34.6	-176.1	-60.9	0	0	0	0	113.3	V66 L67 G114 H115	V66-S91 VanDerWaalsContact O-CB 3.26Å; V66-S91 WeakPolarHBondContact O-CB 3.46Å; V66-S91 PolarHBondContact O-N 2.82Å; V66-S91 PolarHBondContact O-OG 2.03Å; L67-S91 VanDerWaalsContact O-CB 3.28Å; L67-S91 WeakPolarHBondContact O-CB 3.01Å; S91-G114 PolarHBondContact O-N 3.27Å; S91-H115 WeakPolarHBondContact O-CB 3.27Å; S91-H115 PolarHBondContact O-N 2.71Å; S91-H115 PolarHBondContact O-ND1 3.24Å
92	G	88.9	Confident	92.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	12%	0.115	C	C	.	.	S	Bend	trans	-92.1	-131.4	176.7	0	0	0	0	0	113.3	E68 I112 G114 S116	E68-G92 VanDerWaalsContact O-CA 3.27Å; E68-G92 WeakPolarHBondContact O-CA 3.41Å; E68-G92 PolarHBondContact O-N 3.34Å; G92-I112 VanDerWaalsContact O-CG2 3.29Å; G92-I112 WeakPolarHBondContact O-CG2 3.33Å; G92-G114 WeakPolarHBondContact O-CA 3.28Å; G92-G114 PolarHBondContact O-N 3.4Å; G92-G114 VanDerWaalsContact O-N 3.11Å; G92-S116 WeakPolarHBondContact CA-OG 3.44Å
93	Y	94.9	Very high	92.6	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.027	11%	0.114	C	C	.	.			trans	-104.6	164.6	172.2	63	-100.5	0	0	0	112.7	N69 L70 E71 L95 Y118 A123	N69-Y93 CarbonylContact C-O 3.52Å; N69-Y93 VanDerWaalsContact CA-O 3.25Å; N69-Y93 WeakPolarHBondContact CA-O 3.03Å; N69-Y93 HydrophobicContact CB-CD1 4.23Å; N69-Y93 HydrophobicContact CB-CD2 3.96Å; N69-Y93 HydrophobicContact CB-CE1 4.1Å; N69-Y93 HydrophobicContact CB-CE2 3.83Å; N69-Y93 HydrophobicContact CB-CG 4.16Å; N69-Y93 WeakPolarHBondContact CB-O 3.26Å; N69-Y93 WeakPolarHBondContact OD1-CD1 3.24Å; N69-Y93 WeakPolarHBondContact OD1-CE1 3Å; N69-Y93 PolarHBondContact OD1-N 2.71Å; L70-Y93 PolarHBondContact N-O 3.27Å; E71-Y93 HydrophobicContact CG-CE2 4.21Å; E71-Y93 PolarHBondContact OE1-OH 2.95Å; Y93-L95 HydrophobicContact CD2-CB 4.07Å; Y93-L95 HydrophobicContact CE2-CB 3.92Å; Y93-L95 HydrophobicContact CE2-CD2 4.46Å; Y93-Y118 HydrophobicContact CD2-CD2 4.44Å; Y93-Y118 AromaticContact CE2-CD2 3.86Å; Y93-Y118 HydrophobicContact CE2-CD2 3.86Å; Y93-Y118 HydrophobicContact CE2-CG 4.47Å; Y93-A123 CarbonylContact C-O 3.58Å; Y93-A123 WeakPolarHBondContact CA-O 3.3Å
94	V	97.4	Very high	92.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.2	169.8	-178.1	0	0	0	0	109	L70 V90 I96 L109 I112 A123 L124 S125	L70-V94 HydrophobicContact CB-CG2 4.28Å; L70-V94 HydrophobicContact CD2-CG1 4.32Å; L70-V94 HydrophobicContact CD2-CG2 4.44Å; L70-V94 HydrophobicContact CG-CG1 4.44Å; L70-V94 CarbonylContact O-C 3.59Å; L70-V94 WeakPolarHBondContact O-CA 3.32Å; V90-V94 HydrophobicContact CB-CG2 4.12Å; V90-V94 HydrophobicContact CG1-CG2 4.02Å; V90-V94 HydrophobicContact CG2-CG2 4.04Å; V94-I96 HydrophobicContact CG1-CD1 4.28Å; V94-I96 HydrophobicContact CG1-CG1 4.13Å; V94-L109 HydrophobicContact CG2-CD2 4.29Å; V94-I112 HydrophobicContact CB-CD1 4.17Å; V94-I112 HydrophobicContact CG2-CD1 3.54Å; V94-I112 HydrophobicContact CG2-CG1 3.84Å; V94-I112 HydrophobicContact CG2-CG2 4.27Å; V94-A123 PolarHBondContact N-O 3.23Å; V94-L124 HydrophobicContact CB-CD1 3.86Å; V94-L124 HydrophobicContact CG1-CD1 3.81Å; V94-L124 WeakPolarHBondContact O-CA 3.04Å; V94-S125 PolarHBondContact O-N 3.13Å
95	L	95.8	Very high	92.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.7	177	176.3	64.7	0	0	0	109.6	R42 L70 E71 I72 Y93 A97 Y118 S125 L127	R42-L95 WeakPolarHBondContact O-CD2 3.44Å; L70-L95 PolarHBondContact O-N 3.21Å; E71-L95 WeakPolarHBondContact CA-O 3.41Å; E71-L95 HydrophobicContact CG-CB 4.21Å; E71-L95 HydrophobicContact CG-CD2 4.4Å; I72-L95 PolarHBondContact N-O 3.03Å; Y93-L95 HydrophobicContact CD2-CB 4.07Å; Y93-L95 HydrophobicContact CE2-CB 3.92Å; Y93-L95 HydrophobicContact CE2-CD2 4.46Å; L95-A97 HydrophobicContact CD1-CB 4.12Å; L95-A97 HydrophobicContact CG-CB 4.38Å; L95-Y118 HydrophobicContact CD1-CD2 4.2Å; L95-Y118 HydrophobicContact CD1-CE1 4.4Å; L95-Y118 HydrophobicContact CD1-CE2 3.99Å; L95-Y118 HydrophobicContact CD2-CD2 4.02Å; L95-Y118 HydrophobicContact CD2-CE2 3.67Å; L95-Y118 HydrophobicContact CG-CE2 4.45Å; L95-S125 CarbonylContact C-O 3.51Å; L95-S125 WeakPolarHBondContact CA-O 3.29Å; L95-L127 HydrophobicContact CD1-CD1 3.94Å; L95-L127 HydrophobicContact CD1-CG 4.44Å
96	I	95.3	Very high	92.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	100.3	178.9	-58	178.3	0	0	0	107.2	I72 V94 I104 L106 S125 V126 L127 N129 L141	I72-I96 HydrophobicContact CB-CG1 4.48Å; I72-I96 HydrophobicContact CD1-CG1 4.32Å; I72-I96 WeakPolarHBondContact O-CA 3.29Å; V94-I96 HydrophobicContact CG1-CD1 4.28Å; V94-I96 HydrophobicContact CG1-CG1 4.13Å; I96-I104 HydrophobicContact CG2-CD1 3.43Å; I96-I104 VanDerWaalsContact CG2-CD1 3.43Å; I96-L106 HydrophobicContact CD1-CD1 4.11Å; I96-S125 PolarHBondContact N-O 3.03Å; I96-V126 HydrophobicContact CB-CG1 4.23Å; I96-V126 HydrophobicContact CB-CG2 4.29Å; I96-V126 HydrophobicContact CD1-CG2 4.46Å; I96-V126 HydrophobicContact CG2-CG1 4.3Å; I96-V126 CarbonylContact O-C 3.48Å; I96-V126 VanDerWaalsContact O-CA 3.26Å; I96-V126 WeakPolarHBondContact O-CA 3.25Å; I96-L127 PolarHBondContact O-N 3.32Å; I96-N129 PolarHBondContact O-ND2 3.05Å; I96-L141 HydrophobicContact CD1-CD1 3.61Å; I96-L141 HydrophobicContact CD1-CD2 4.4Å
97	A	92.4	Very high	92.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	144.3	-170.9	0	0	0	0	0	115.3	V43 I72 T73 Y74 L95 N99 L127 N129	V43-A97 HydrophobicContact CG1-CB 4.49Å; I72-A97 PolarHBondContact O-N 3.49Å; T73-A97 WeakPolarHBondContact CA-O 3.41Å; T73-A97 WeakPolarHBondContact CB-O 3.23Å; T73-A97 HydrophobicContact CG2-CB 4.05Å; T73-A97 WeakPolarHBondContact CG2-O 3.38Å; Y74-A97 PolarHBondContact N-O 2.87Å; L95-A97 HydrophobicContact CD1-CB 4.12Å; L95-A97 HydrophobicContact CG-CB 4.38Å; A97-N99 PolarHBondContact N-ND2 3.12Å; A97-N99 PolarHBondContact O-N 3.39Å; A97-N99 PolarHBondContact O-ND2 2.02Å; A97-L127 WeakPolarHBondContact CA-O 3.44Å; A97-L127 HydrophobicContact CB-CB 3.97Å; A97-L127 WeakPolarHBondContact CB-O 3.07Å; A97-N129 WeakPolarHBondContact CA-OD1 3.46Å; A97-N129 PolarHBondContact N-OD1 3.09Å
98	L	89.9	Confident	92.6	Very high	70 Å²	70	21.7 Å²	21.7	37%	0.366	11%	0.112	S	C	.	.	S	Bend	trans	59.1	26.6	173.7	-52.3	172.3	0	0	0	114.4	Y74 L127 A128 N129	Y74-L98 HydrophobicContact CD1-CB 4.12Å; Y74-L98 HydrophobicContact CE1-CB 4.02Å; Y74-L98 HydrophobicContact CE1-CD1 3.67Å; Y74-L98 HydrophobicContact CE1-CG 4.49Å; Y74-L98 HydrophobicContact CE2-CD1 4.39Å; Y74-L98 WeakPolarHBondContact OH-CD1 3.41Å; L98-L127 PolarHBondContact N-O 2.98Å; L98-L127 VanDerWaalsContact N-O 3.1Å; L98-A128 WeakPolarHBondContact CA-O 2.99Å; L98-A128 HydrophobicContact CD2-CB 3.89Å; L98-N129 PolarHBondContact N-OD1 2.88Å
99	N	90.4	Very high	92.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.			trans	-88.4	148.8	175.2	-54.1	-69.3	0	0	0	111.3	I72 T73 Y74 V75 A97 V101 N129	I72-N99 PolarHBondContact O-ND2 3.44Å; T73-N99 VanDerWaalsContact CA-OD1 3.29Å; T73-N99 WeakPolarHBondContact CA-OD1 3.22Å; Y74-N99 PolarHBondContact N-OD1 3.09Å; V75-N99 HydrophobicContact CB-CB 4.37Å; V75-N99 WeakPolarHBondContact CB-OD1 3.37Å; V75-N99 VanDerWaalsContact CG2-OD1 3.31Å; V75-N99 WeakPolarHBondContact CG2-OD1 3.06Å; V75-N99 PolarHBondContact N-OD1 2.95Å; V75-N99 WeakPolarHBondContact O-CA 3.35Å; A97-N99 PolarHBondContact N-ND2 3.12Å; A97-N99 PolarHBondContact O-N 3.39Å; A97-N99 PolarHBondContact O-ND2 2.02Å; N99-V101 HydrophobicContact CB-CG1 4.26Å; N99-N129 WeakPolarHBondContact CB-OD1 3.4Å; N99-N129 PolarHBondContact N-OD1 3.08Å; N99-N129 PolarHBondContact ND2-OD1 2.98Å; N99-N129 CarbonylContact O-C 3.48Å; N99-N129 VanDerWaalsContact O-CA 3.26Å; N99-N129 WeakPolarHBondContact O-CA 3.19Å
100	T	88.4	Confident	92.8	Very high	37 Å²	37	22.1 Å²	22.1	23%	0.227	11%	0.111	C	C	.	.			trans	-110	-9.4	171.5	67	0	0	0	0	113.5	V75 E76 E77 D131	V75-T100 PolarHBondContact O-N 2.98Å; E76-T100 WeakPolarHBondContact CA-OG1 3.44Å; E77-T100 PolarHBondContact N-OG1 3.31Å; T100-D131 HydrophobicContact CG2-CB 3.88Å
101	V	89.9	Confident	92.8	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.048	11%	0.111	C	C	.	.			trans	-58.7	136.1	174.1	71.8	0	0	0	0	112.4	V75 L81 N99 I104 T138	V75-V101 HydrophobicContact CB-CG1 4.26Å; V75-V101 HydrophobicContact CG1-CB 4.17Å; V75-V101 HydrophobicContact CG1-CG1 4.06Å; V75-V101 PolarHBondContact O-N 3.33Å; L81-V101 HydrophobicContact CD1-CG1 3.86Å; N99-V101 HydrophobicContact CB-CG1 4.26Å; V101-I104 HydrophobicContact CG1-CD1 4.31Å; V101-I104 HydrophobicContact CG1-CG1 3.92Å; V101-T138 WeakPolarHBondContact O-CA 3.07Å; V101-T138 VanDerWaalsContact O-CB 3.3Å; V101-T138 WeakPolarHBondContact O-CB 3.04Å; V101-T138 PolarHBondContact O-N 3.08Å; V101-T138 PolarHBondContact O-OG1 2.83Å
102	S	86.3	Confident	93.1	Very high	53 Å²	53	21.7 Å²	21.7	37%	0.371	11%	0.109	S	C	.	.	S	Bend	trans	-71.1	-35.9	-173.1	53.3	0	0	0	0	114	T139 E140	S102-T139 PolarHBondContact O-N 3.18Å; S102-T139 PolarHBondContact O-OG1 2.98Å; S102-E140 PolarHBondContact O-N 2.93Å
103	R	89.8	Confident	93.3	Very high	100 Å²	100	22.3 Å²	22.3	38%	0.377	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.7	-175.5	179.5	-178	175.4	129.8	-11.1	112.1	E107 E140 L142	R103-E107 IonicContact CZ-OE1 3.31Å; R103-E107 IonicContact NH2-OE1 3.67Å; R103-E107 PolarHBondContact NH2-OE1 2.9Å; R103-E140 WeakPolarHBondContact CA-O 3.29Å; R103-E140 HydrophobicContact CB-CB 4.1Å; R103-E140 VanDerWaalsContact CD-OE2 3.28Å; R103-E140 WeakPolarHBondContact CD-OE2 3.03Å; R103-E140 HydrophobicContact CG-CB 3.99Å; R103-E140 IonicContact CZ-OE2 2.61Å; R103-E140 IonicContact NE-OE2 3.03Å; R103-E140 IonicContact NH1-OE2 3.98Å; R103-E140 PolarHBondContact NH1-OE2 3.12Å; R103-L142 HydrophobicContact CG-CD1 4.46Å
104	I	93.9	Very high	93.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.4	174.7	-61.2	179.7	0	0	0	109.5	I72 L81 L84 I96 V101 L106 T138 E140 L141 L142	I72-I104 HydrophobicContact CD1-CG2 4.21Å; L81-I104 HydrophobicContact CD1-CG1 4.03Å; L84-I104 HydrophobicContact CD1-CG2 4.4Å; I96-I104 HydrophobicContact CG2-CD1 3.43Å; I96-I104 VanDerWaalsContact CG2-CD1 3.43Å; V101-I104 HydrophobicContact CG1-CD1 4.31Å; V101-I104 HydrophobicContact CG1-CG1 3.92Å; I104-L106 HydrophobicContact CG2-CD1 4.28Å; I104-L106 HydrophobicContact CG2-CG 4.33Å; I104-L106 PolarHBondContact O-N 2.92Å; I104-T138 HydrophobicContact CD1-CG2 3.95Å; I104-T138 HydrophobicContact CG1-CG2 3.96Å; I104-E140 PolarHBondContact N-O 3.3Å; I104-L141 HydrophobicContact CB-CD1 4.13Å; I104-L141 HydrophobicContact CG2-CD1 4.18Å; I104-L142 PolarHBondContact O-N 3.3Å; I104-L142 VanDerWaalsContact O-N 3.08Å
105	P	94.5	Very high	92.4	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.052	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	76.6	-169	37.7	-35.9	0	0	0	113.3	L81 K85 E107	L81-P105 HydrophobicContact CB-CG 4.11Å; L81-P105 WeakPolarHBondContact O-CG 3.44Å; K85-P105 HydrophobicContact CG-CB 3.99Å; K85-P105 HydrophobicContact CG-CG 4.33Å; K85-P105 PolarHBondContact N-O 3.15Å; P105-E107 HydrophobicContact CB-CG 4.47Å; P105-E107 PolarHBondContact O-N 3.4Å
106	L	95.7	Very high	91.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.			trans	-93.8	37.1	172.4	-71.3	168.7	0	0	0	111.9	L70 I72 L84 I87 I96 I104 N108 L109 L142 L143	L70-L106 HydrophobicContact CD2-CD1 4.28Å; L70-L106 HydrophobicContact CD2-CD2 3.84Å; I72-L106 HydrophobicContact CD1-CD1 3.91Å; I72-L106 HydrophobicContact CD1-CD2 4.49Å; I72-L106 HydrophobicContact CD1-CG 4.47Å; L84-L106 HydrophobicContact CB-CD2 3.97Å; L84-L106 HydrophobicContact CD1-CD2 4.47Å; I87-L106 HydrophobicContact CD1-CD2 4.3Å; I96-L106 HydrophobicContact CD1-CD1 4.11Å; I104-L106 HydrophobicContact CG2-CD1 4.28Å; I104-L106 HydrophobicContact CG2-CG 4.33Å; I104-L106 PolarHBondContact O-N 2.92Å; L106-N108 PolarHBondContact O-N 2.89Å; L106-N108 VanDerWaalsContact O-N 3.09Å; L106-L109 HydrophobicContact CB-CB 4.3Å; L106-L109 HydrophobicContact CD1-CD2 4.44Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 2.88Å; L106-L142 CarbonylContact C-O 3.28Å; L106-L142 VanDerWaalsContact CA-O 3.25Å; L106-L142 WeakPolarHBondContact CA-O 3.22Å; L106-L142 WeakPolarHBondContact CB-O 3.45Å; L106-L142 PolarHBondContact N-O 2.83Å; L106-L143 HydrophobicContact CB-CD2 3.61Å; L106-L143 HydrophobicContact CD1-CD2 4.03Å; L106-L143 HydrophobicContact CG-CD2 4.49Å
107	E	93.3	Very high	91.6	Very high	38 Å²	38	32 Å²	32	18%	0.178	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.5	-167.6	-64.9	162.4	-166.7	0	0	113.4	K85 R103 P105 L142 T144 S145	K85-E107 IonicContact NZ-OE1 2.79Å; K85-E107 PolarHBondContact NZ-OE1 2.82Å; K85-E107 IonicContact NZ-OE2 3.73Å; K85-E107 PolarHBondContact NZ-OE2 3.49Å; R103-E107 IonicContact CZ-OE1 3.31Å; R103-E107 IonicContact NH2-OE1 3.67Å; R103-E107 PolarHBondContact NH2-OE1 2.9Å; P105-E107 HydrophobicContact CB-CG 4.47Å; P105-E107 PolarHBondContact O-N 3.4Å; E107-L142 HydrophobicContact CG-CB 3.7Å; E107-L142 HydrophobicContact CG-CD1 3.84Å; E107-L142 HydrophobicContact CG-CG 4.45Å; E107-L142 PolarHBondContact N-O 2.9Å; E107-L142 WeakPolarHBondContact OE1-CD1 3.4Å; E107-T144 PolarHBondContact O-OG1 2.97Å; E107-T144 VanDerWaalsContact O-OG1 3.08Å; E107-S145 VanDerWaalsContact O-CB 3.24Å; E107-S145 WeakPolarHBondContact O-CB 3.03Å; E107-S145 PolarHBondContact O-N 3.23Å; E107-S145 PolarHBondContact O-OG 2.95Å
108	N	94.6	Very high	91.4	Very high	70 Å²	70	33.2 Å²	33.2	37%	0.374	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-4	-179.1	-71.5	-42.7	0	0	0	115.1	K85 I87 L106 R110	K85-N108 PolarHBondContact O-ND2 2.96Å; I87-N108 CarbonylContact O-C 3.55Å; I87-N108 VanDerWaalsContact O-C 3.28Å; L106-N108 PolarHBondContact O-N 2.89Å; L106-N108 VanDerWaalsContact O-N 3.09Å; N108-R110 WeakPolarHBondContact O-CG 3.48Å; N108-R110 PolarHBondContact O-N 3.2Å; N108-R110 VanDerWaalsContact O-N 3.15Å
109	L	96.6	Very high	91.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.			trans	-67.5	112.9	-178.1	176	57.8	0	0	0	110.2	I87 V90 V94 L106 I112 L143 S145 L146	I87-L109 HydrophobicContact CG2-CD1 4.3Å; I87-L109 WeakPolarHBondContact O-CA 3.4Å; I87-L109 PolarHBondContact O-N 2.98Å; V90-L109 HydrophobicContact CG2-CD1 3.91Å; V94-L109 HydrophobicContact CG2-CD2 4.29Å; L106-L109 HydrophobicContact CB-CB 4.3Å; L106-L109 HydrophobicContact CD1-CD2 4.44Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 2.88Å; L109-I112 HydrophobicContact CD2-CG1 4.41Å; L109-L143 HydrophobicContact CB-CD2 4.49Å; L109-L143 HydrophobicContact CD2-CD2 3.92Å; L109-S145 CarbonylContact O-C 3.58Å; L109-S145 VanDerWaalsContact O-C 3.24Å; L109-L146 WeakPolarHBondContact O-CA 3.26Å; L109-L146 WeakPolarHBondContact O-CB 3.15Å; L109-L146 PolarHBondContact O-N 2.85Å
110	R	95.1	Very high	91.1	Very high	62 Å²	62	42.3 Å²	42.3	23%	0.234	21%	0.207	C	C	.	.			trans	-94.8	-37.4	-172.4	-47.6	-172.4	-174.7	-174.1	-3.2	113.3	E88 N108 S145 T147 E148 A243 L254	E88-R110 PolarHBondContact O-N 3.36Å; E88-R110 IonicContact OE1-CZ 2.86Å; E88-R110 IonicContact OE1-NE 3.72Å; E88-R110 PolarHBondContact OE1-NE 2.98Å; E88-R110 IonicContact OE1-NH2 2.64Å; E88-R110 PolarHBondContact OE1-NH2 2.04Å; N108-R110 WeakPolarHBondContact O-CG 3.48Å; N108-R110 PolarHBondContact O-N 3.2Å; N108-R110 VanDerWaalsContact O-N 3.15Å; R110-S145 WeakPolarHBondContact CA-O 3.43Å; R110-T147 PolarHBondContact O-N 3.27Å; R110-T147 VanDerWaalsContact O-N 3.14Å; R110-E148 PolarHBondContact O-N 2.75Å; R110-A243 HydrophobicContact CB-CB 4.12Å; R110-L254 WeakPolarHBondContact CD-O 3.37Å; R110-L254 PolarHBondContact NH1-O 3.49Å
111	I	95.4	Very high	91.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	138	-166.7	-173.6	170.2	0	0	0	112.6	E89 V90 R113 E148 L150 A242 A255	E89-I111 HydrophobicContact CB-CG2 3.9Å; E89-I111 HydrophobicContact CG-CG2 3.8Å; V90-I111 PolarHBondContact N-O 2.92Å; V90-I111 VanDerWaalsContact N-O 3.12Å; I111-R113 HydrophobicContact CD1-CG 4.43Å; I111-R113 HydrophobicContact CG1-CG 4.41Å; I111-E148 WeakPolarHBondContact CA-O 3.35Å; I111-E148 HydrophobicContact CB-CB 4.49Å; I111-E148 HydrophobicContact CD1-CB 4.36Å; I111-E148 HydrophobicContact CD1-CG 4.12Å; I111-E148 HydrophobicContact CG1-CB 4.08Å; I111-E148 HydrophobicContact CG1-CG 4.15Å; I111-L150 HydrophobicContact CD1-CD1 4Å; I111-L150 HydrophobicContact CD1-CD2 4.48Å; I111-L150 HydrophobicContact CD1-CG 4.07Å; I111-L150 HydrophobicContact CG1-CG 4.48Å; I111-A242 HydrophobicContact CD1-CB 3.63Å; I111-A255 HydrophobicContact CD1-CB 4.44Å; I111-A255 HydrophobicContact CG2-CB 4.04Å
112	I	96.9	Very high	91.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.9	166.9	-51.5	167.1	0	0	0	107.9	V90 G92 V94 L109 A123 L124 L146 E148 I149 L150	V90-I112 CarbonylContact O-C 3.5Å; V90-I112 WeakPolarHBondContact O-CA 3.37Å; G92-I112 VanDerWaalsContact O-CG2 3.29Å; G92-I112 WeakPolarHBondContact O-CG2 3.33Å; V94-I112 HydrophobicContact CB-CD1 4.17Å; V94-I112 HydrophobicContact CG2-CD1 3.54Å; V94-I112 HydrophobicContact CG2-CG1 3.84Å; V94-I112 HydrophobicContact CG2-CG2 4.27Å; L109-I112 HydrophobicContact CD2-CG1 4.41Å; I112-A123 HydrophobicContact CG2-CB 4.09Å; I112-L124 HydrophobicContact CD1-CB 4.25Å; I112-L146 HydrophobicContact CD1-CD1 4.24Å; I112-L146 HydrophobicContact CD1-CD2 4.27Å; I112-L146 HydrophobicContact CG1-CD1 4.11Å; I112-E148 PolarHBondContact N-O 3.11Å; I112-E148 VanDerWaalsContact N-O 3.12Å; I112-I149 HydrophobicContact CB-CG1 4.23Å; I112-I149 HydrophobicContact CD1-CD1 4.21Å; I112-I149 HydrophobicContact CD1-CG1 4.26Å; I112-I149 WeakPolarHBondContact O-CA 3.5Å; I112-L150 PolarHBondContact O-N 3.3Å; I112-L150 VanDerWaalsContact O-N 3.15Å
113	R	93.3	Very high	91.9	Very high	13 Å²	13	43 Å²	43	5%	0.049	20%	0.199	C	C	.	.			trans	-84.9	-26.4	-173.5	-57.2	-170.2	177.8	-85.6	-9.8	114	E89 V90 I111 L150 C256 R257	E89-R113 VanDerWaalsContact CD-NE 3.26Å; E89-R113 VanDerWaalsContact CD-NH2 3.29Å; E89-R113 IonicContact OE1-CZ 2.8Å; E89-R113 IonicContact OE1-NE 2.66Å; E89-R113 PolarHBondContact OE1-NE 2.98Å; E89-R113 IonicContact OE1-NH2 2.72Å; E89-R113 PolarHBondContact OE1-NH2 3.48Å; E89-R113 IonicContact OE2-CZ 2.73Å; E89-R113 IonicContact OE2-NE 2.72Å; E89-R113 IonicContact OE2-NH2 3.05Å; E89-R113 PolarHBondContact OE2-NH2 2.81Å; V90-R113 PolarHBondContact O-N 3.07Å; I111-R113 HydrophobicContact CD1-CG 4.43Å; I111-R113 HydrophobicContact CG1-CG 4.41Å; R113-L150 HydrophobicContact CB-CD1 4.21Å; R113-L150 HydrophobicContact CG-CD1 4.02Å; R113-C256 PolarHBondContact NH1-O 3.1Å; R113-C256 PolarHBondContact NH2-O 3.24Å; R113-R257 PolarHBondContact NH1-O 2.93Å
114	G	89.7	Confident	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.181	C	C	.	.			trans	68.1	34.3	173.3	0	0	0	0	0	114.9	S91 G92 S116 K151	S91-G114 PolarHBondContact O-N 3.27Å; G92-G114 WeakPolarHBondContact O-CA 3.28Å; G92-G114 PolarHBondContact O-N 3.4Å; G92-G114 VanDerWaalsContact O-N 3.11Å; G114-S116 CarbonylContact C-O 3.58Å; G114-K151 WeakPolarHBondContact O-CD 3.4Å; G114-K151 WeakPolarHBondContact O-CE 3.46Å; G114-K151 PolarHBondContact O-NZ 3.35Å
115	H	83.3	Confident	92.4	Very high	129 Å²	129	38.2 Å²	38.2	60%	0.597	18%	0.181	S	C	*	.	S	Bend	trans	-59.5	-55.6	174	-70.8	93.7	0	0	0	110.4	S91 K151	S91-H115 WeakPolarHBondContact O-CB 3.27Å; S91-H115 PolarHBondContact O-N 2.71Å; S91-H115 PolarHBondContact O-ND1 3.24Å; H115-K151 PolarHBondContact O-NZ 3.45Å
116	S	84.3	Confident	92.4	Very high	44 Å²	44	38 Å²	38	31%	0.308	18%	0.179	S	C	.	.	S	Bend	trans	-86.7	154.3	160.3	42.3	0	0	0	0	110.9	N69 G92 G114	N69-S116 PolarHBondContact OD1-OG 3.31Å; G92-S116 WeakPolarHBondContact CA-OG 3.44Å; G114-S116 CarbonylContact C-O 3.58Å
117	L	89.9	Confident	92.1	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.199	19%	0.185	C	C	.	.			trans	-136.4	138.4	178.2	-64.5	176.8	0	0	0	110.8	E120 F122 A123 K151	L117-E120 WeakPolarHBondContact CD1-O 3.07Å; L117-E120 PolarHBondContact O-N 2.68Å; L117-F122 CarbonylContact C-O 3.6Å; L117-F122 WeakPolarHBondContact CA-O 3.42Å; L117-A123 HydrophobicContact CD2-CB 3.89Å; L117-K151 HydrophobicContact CD1-CG 4.5Å
118	Y	88.4	Confident	91.8	Very high	27 Å²	27	38.7 Å²	38.7	11%	0.106	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-72.4	136.8	171.8	-170.2	-95.1	0	0	0	110	R42 Y93 L95 E120 K121 F122 S125 L127	R42-Y118 HydrophobicContact CB-CE2 4.23Å; R42-Y118 HydrophobicContact CG-CE2 4.3Å; Y93-Y118 HydrophobicContact CD2-CD2 4.44Å; Y93-Y118 AromaticContact CE2-CD2 3.86Å; Y93-Y118 HydrophobicContact CE2-CD2 3.86Å; Y93-Y118 HydrophobicContact CE2-CG 4.47Å; L95-Y118 HydrophobicContact CD1-CD2 4.2Å; L95-Y118 HydrophobicContact CD1-CE1 4.4Å; L95-Y118 HydrophobicContact CD1-CE2 3.99Å; L95-Y118 HydrophobicContact CD2-CD2 4.02Å; L95-Y118 HydrophobicContact CD2-CE2 3.67Å; L95-Y118 HydrophobicContact CG-CE2 4.45Å; Y118-E120 PolarHBondContact O-N 2.4Å; Y118-K121 PolarHBondContact O-N 3.5Å; Y118-F122 PolarHBondContact N-O 2.69Å; Y118-F122 PolarHBondContact O-N 3.13Å; Y118-S125 VanDerWaalsContact CD1-OG 3.29Å; Y118-S125 WeakPolarHBondContact CD1-OG 3.43Å; Y118-L127 HydrophobicContact CE1-CD1 3.76Å
119	E	87.9	Confident	91.3	Very high	84 Å²	84	35.4 Å²	35.4	39%	0.393	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	28.9	-168.8	-64.5	170.2	-151	0	0	113.7	K121 F122 K155	E119-K121 WeakPolarHBondContact O-CG 3.3Å; E119-K121 PolarHBondContact O-N 3.05Å; E119-F122 HydrophobicContact CB-CD2 4.12Å; E119-F122 HydrophobicContact CB-CE2 4.27Å; E119-K155 IonicContact OE1-NZ 3.78Å; E119-K155 PolarHBondContact OE1-NZ 3.05Å; E119-K155 IonicContact OE2-NZ 3.75Å; E119-K155 PolarHBondContact OE2-NZ 2.72Å
120	E	86.5	Confident	90.6	Very high	177 Å²	177	37.8 Å²	37.8	83%	0.827	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	5.5	-174.8	-55.5	-176.5	172.6	0	0	115.5	L117 Y118	L117-E120 WeakPolarHBondContact CD1-O 3.07Å; L117-E120 PolarHBondContact O-N 2.68Å; Y118-E120 PolarHBondContact O-N 2.4Å
121	K	90.6	Very high	89.8	Confident	111 Å²	111	36.9 Å²	36.9	48%	0.483	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-35.9	-170.5	-67.3	166.2	-168.8	168.1	0	114.1	Y118 E119 G152 G153	Y118-K121 PolarHBondContact O-N 3.5Å; E119-K121 WeakPolarHBondContact O-CG 3.3Å; E119-K121 PolarHBondContact O-N 3.05Å; K121-G152 WeakPolarHBondContact O-CA 3.42Å; K121-G153 PolarHBondContact O-N 2.94Å
122	F	94.8	Very high	88.5	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.9	-164.6	-52.7	-74.1	0	0	0	112	L117 Y118 E119 S125 G153 K155 S180 E182	L117-F122 CarbonylContact C-O 3.6Å; L117-F122 WeakPolarHBondContact CA-O 3.42Å; Y118-F122 PolarHBondContact N-O 2.69Å; Y118-F122 PolarHBondContact O-N 3.13Å; E119-F122 HydrophobicContact CB-CD2 4.12Å; E119-F122 HydrophobicContact CB-CE2 4.27Å; F122-S125 WeakPolarHBondContact CB-OG 3.08Å; F122-G153 CarbonylContact C-O 3.49Å; F122-G153 WeakPolarHBondContact CA-O 3.23Å; F122-K155 HydrophobicContact CB-CB 4.39Å; F122-K155 HydrophobicContact CD1-CB 3.65Å; F122-K155 HydrophobicContact CD2-CB 4.18Å; F122-K155 HydrophobicContact CD2-CD 3.82Å; F122-K155 HydrophobicContact CE1-CB 3.87Å; F122-K155 HydrophobicContact CE1-CD 4.38Å; F122-K155 HydrophobicContact CE2-CB 4.4Å; F122-K155 HydrophobicContact CE2-CD 3.61Å; F122-K155 HydrophobicContact CG-CB 3.8Å; F122-K155 HydrophobicContact CG-CD 4.32Å; F122-K155 HydrophobicContact CZ-CB 4.25Å; F122-K155 HydrophobicContact CZ-CD 3.91Å; F122-S180 WeakPolarHBondContact CE1-O 3.42Å; F122-E182 HydrophobicContact CZ-CG 4.49Å; F122-E182 VanDerWaalsContact CZ-OE1 3.31Å; F122-E182 WeakPolarHBondContact CZ-OE1 3.3Å
123	A	95.8	Very high	87	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-20.6	172.5	0	0	0	0	0	112.3	Y93 V94 I112 L117 I149 K151 G153	Y93-A123 CarbonylContact C-O 3.58Å; Y93-A123 WeakPolarHBondContact CA-O 3.3Å; V94-A123 PolarHBondContact N-O 3.23Å; I112-A123 HydrophobicContact CG2-CB 4.09Å; L117-A123 HydrophobicContact CD2-CB 3.89Å; A123-I149 HydrophobicContact CB-CG2 3.79Å; A123-K151 VanDerWaalsContact CB-O 3.24Å; A123-K151 WeakPolarHBondContact CB-O 3.5Å; A123-G153 PolarHBondContact N-O 2.87Å
124	L	97.1	Very high	85.8	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	119.2	169.4	175.7	61.5	0	0	0	109.3	V94 I112 V126 L143 L146 I149 G153 V154 K155 F156 W169	V94-L124 HydrophobicContact CB-CD1 3.86Å; V94-L124 HydrophobicContact CG1-CD1 3.81Å; V94-L124 WeakPolarHBondContact O-CA 3.04Å; I112-L124 HydrophobicContact CD1-CB 4.25Å; L124-V126 HydrophobicContact CD1-CG2 4.01Å; L124-V126 HydrophobicContact CG-CG2 4.26Å; L124-L143 HydrophobicContact CD2-CD1 4.09Å; L124-L146 HydrophobicContact CD2-CD2 4.46Å; L124-I149 HydrophobicContact CB-CD1 4.45Å; L124-G153 PolarHBondContact N-O 2.99Å; L124-V154 HydrophobicContact CB-CG1 4.32Å; L124-V154 HydrophobicContact CB-CG2 4.4Å; L124-V154 HydrophobicContact CD2-CG1 4.16Å; L124-V154 HydrophobicContact CG-CG1 4.34Å; L124-V154 CarbonylContact O-C 3.51Å; L124-V154 WeakPolarHBondContact O-CA 3.35Å; L124-K155 PolarHBondContact O-N 2.96Å; L124-F156 HydrophobicContact CD2-CZ 4.45Å; L124-W169 HydrophobicContact CD2-CH2 3.82Å; L124-W169 HydrophobicContact CD2-CZ3 3.99Å
125	S	95.8	Very high	84.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.2	179.5	-67.3	0	0	0	0	110.4	V94 L95 I96 Y118 F122 K155	V94-S125 PolarHBondContact O-N 3.13Å; L95-S125 CarbonylContact C-O 3.51Å; L95-S125 WeakPolarHBondContact CA-O 3.29Å; I96-S125 PolarHBondContact N-O 3.03Å; Y118-S125 VanDerWaalsContact CD1-OG 3.29Å; Y118-S125 WeakPolarHBondContact CD1-OG 3.43Å; F122-S125 WeakPolarHBondContact CB-OG 3.08Å; S125-K155 CarbonylContact C-O 3.48Å; S125-K155 WeakPolarHBondContact CA-O 3.33Å
126	V	94.4	Very high	84	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	104.7	-178.1	-171.1	0	0	0	0	109.3	I96 L124 N129 L141 K155 F156 V157 N159 L161	I96-V126 HydrophobicContact CB-CG1 4.23Å; I96-V126 HydrophobicContact CB-CG2 4.29Å; I96-V126 HydrophobicContact CD1-CG2 4.46Å; I96-V126 HydrophobicContact CG2-CG1 4.3Å; I96-V126 CarbonylContact O-C 3.48Å; I96-V126 VanDerWaalsContact O-CA 3.26Å; I96-V126 WeakPolarHBondContact O-CA 3.25Å; L124-V126 HydrophobicContact CD1-CG2 4.01Å; L124-V126 HydrophobicContact CG-CG2 4.26Å; V126-N129 WeakPolarHBondContact CG1-ND2 3.35Å; V126-L141 HydrophobicContact CG1-CD2 4.4Å; V126-L141 HydrophobicContact CG2-CD2 4.06Å; V126-K155 PolarHBondContact N-O 2.04Å; V126-F156 HydrophobicContact CB-CD1 3.6Å; V126-F156 HydrophobicContact CB-CE1 3.59Å; V126-F156 HydrophobicContact CB-CG 4.31Å; V126-F156 HydrophobicContact CB-CZ 4.29Å; V126-F156 HydrophobicContact CG1-CD1 4.04Å; V126-F156 HydrophobicContact CG1-CE1 3.93Å; V126-F156 HydrophobicContact CG2-CD1 4.04Å; V126-F156 HydrophobicContact CG2-CE1 3.52Å; V126-F156 HydrophobicContact CG2-CE2 4.5Å; V126-F156 HydrophobicContact CG2-CZ 3.79Å; V126-F156 WeakPolarHBondContact O-CA 3.36Å; V126-V157 PolarHBondContact O-N 3.5Å; V126-N159 PolarHBondContact O-ND2 2.66Å; V126-L161 HydrophobicContact CG1-CD1 3.99Å
127	L	91.1	Very high	83.7	Confident	24 Å²	24	54.5 Å²	54.5	13%	0.126	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.5	-160.1	-51.4	176.8	0	0	0	112.9	L95 I96 A97 L98 Y118 N129 K155 V157	L95-L127 HydrophobicContact CD1-CD1 3.94Å; L95-L127 HydrophobicContact CD1-CG 4.44Å; I96-L127 PolarHBondContact O-N 3.32Å; A97-L127 WeakPolarHBondContact CA-O 3.44Å; A97-L127 HydrophobicContact CB-CB 3.97Å; A97-L127 WeakPolarHBondContact CB-O 3.07Å; L98-L127 PolarHBondContact N-O 2.98Å; L98-L127 VanDerWaalsContact N-O 3.1Å; Y118-L127 HydrophobicContact CE1-CD1 3.76Å; L127-N129 VanDerWaalsContact C-N 3.33Å; L127-N129 PolarHBondContact N-ND2 2.67Å; L127-N129 PolarHBondContact O-N 2.88Å; L127-N129 PolarHBondContact O-ND2 2.82Å; L127-K155 HydrophobicContact CD2-CD 4.06Å; L127-K155 HydrophobicContact CD2-CG 3.89Å; L127-V157 WeakPolarHBondContact CA-O 3.46Å; L127-V157 HydrophobicContact CD2-CB 3.94Å; L127-V157 HydrophobicContact CD2-CG2 4.08Å
128	A	85.9	Confident	83.3	Confident	30 Å²	30	52.8 Å²	52.8	25%	0.248	27%	0.272	C	S	.	.			trans	53.9	41.1	168.2	0	0	0	0	0	114.8	L98 I130 V157 N158 N159	L98-A128 WeakPolarHBondContact CA-O 2.99Å; L98-A128 HydrophobicContact CD2-CB 3.89Å; A128-I130 PolarHBondContact O-N 2.03Å; A128-V157 PolarHBondContact N-O 3.14Å; A128-N158 WeakPolarHBondContact CA-O 3.07Å; A128-N158 HydrophobicContact CB-CB 4.42Å; A128-N159 PolarHBondContact N-OD1 3.34Å
129	N	85.3	Confident	83	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.283	C	S	.	.			trans	-80.7	60.1	176	-59.3	-80.2	0	0	0	111.2	I96 A97 L98 N99 V126 L127 G137 T138 N159	I96-N129 PolarHBondContact O-ND2 3.05Å; A97-N129 WeakPolarHBondContact CA-OD1 3.46Å; A97-N129 PolarHBondContact N-OD1 3.09Å; L98-N129 PolarHBondContact N-OD1 2.88Å; N99-N129 WeakPolarHBondContact CB-OD1 3.4Å; N99-N129 PolarHBondContact N-OD1 3.08Å; N99-N129 PolarHBondContact ND2-OD1 2.98Å; N99-N129 CarbonylContact O-C 3.48Å; N99-N129 VanDerWaalsContact O-CA 3.26Å; N99-N129 WeakPolarHBondContact O-CA 3.19Å; V126-N129 WeakPolarHBondContact CG1-ND2 3.35Å; L127-N129 VanDerWaalsContact C-N 3.33Å; L127-N129 PolarHBondContact N-ND2 2.67Å; L127-N129 PolarHBondContact O-N 2.88Å; L127-N129 PolarHBondContact O-ND2 2.82Å; N129-G137 WeakPolarHBondContact O-CA 3.44Å; N129-T138 PolarHBondContact O-N 3.39Å; N129-T138 VanDerWaalsContact O-N 3.07Å; N129-N159 WeakPolarHBondContact CB-OD1 3.45Å; N129-N159 PolarHBondContact N-OD1 3.29Å; N129-N159 PolarHBondContact ND2-OD1 2.65Å
130	I	81.9	Confident	83.1	Confident	49 Å²	49	52.9 Å²	52.9	25%	0.251	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-152	133	178.9	-172.5	-174.9	0	0	0	109.3	A128 L136 N158 K160	A128-I130 PolarHBondContact O-N 2.03Å; I130-L136 CarbonylContact C-O 3.6Å; I130-L136 WeakPolarHBondContact CA-O 3.29Å; I130-L136 WeakPolarHBondContact CG1-O 3.22Å; I130-N158 WeakPolarHBondContact CG2-O 3.38Å; I130-K160 HydrophobicContact CD1-CD 3.67Å; I130-K160 HydrophobicContact CD1-CG 3.97Å; I130-K160 HydrophobicContact CG1-CD 4.35Å
131	D	77.4	Confident	83.3	Confident	43 Å²	43	44.5 Å²	44.5	23%	0.23	24%	0.238	C	C	.	.			trans	-75.3	126.1	165.2	172.9	27.9	0	0	0	110.1	T100 N133 T134 G135 L136	T100-D131 HydrophobicContact CG2-CB 3.88Å; D131-N133 PolarHBondContact O-N 2.04Å; D131-N133 PolarHBondContact OD1-N 3.06Å; D131-T134 VanDerWaalsContact OD2-CB 3.3Å; D131-T134 WeakPolarHBondContact OD2-CB 3.33Å; D131-T134 VanDerWaalsContact OD2-CG2 3.32Å; D131-T134 WeakPolarHBondContact OD2-CG2 3.07Å; D131-T134 PolarHBondContact OD2-N 2.87Å; D131-T134 PolarHBondContact OD2-OG1 3.28Å; D131-G135 WeakPolarHBondContact O-CA 3.1Å; D131-G135 PolarHBondContact O-N 3.42Å; D131-L136 PolarHBondContact N-O 2.92Å
132	K	68.1	Low	83.4	Confident	195 Å²	195	39.2 Å²	39.2	85%	0.848	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.4	177.8	-64.8	-179.9	-179.6	176.9	0	113
133	N	66.4	Low	83.4	Confident	152 Å²	152	39.2 Å²	39.2	81%	0.813	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-49	-173.2	-62.6	-16.7	0	0	0	112.3	D131	D131-N133 PolarHBondContact O-N 2.04Å; D131-N133 PolarHBondContact OD1-N 3.06Å
134	T	66.4	Low	83.3	Confident	91 Å²	91	40.2 Å²	40.2	56%	0.558	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-21.3	177.4	59.8	0	0	0	0	113.6	D131 L136	D131-T134 VanDerWaalsContact OD2-CB 3.3Å; D131-T134 WeakPolarHBondContact OD2-CB 3.33Å; D131-T134 VanDerWaalsContact OD2-CG2 3.32Å; D131-T134 WeakPolarHBondContact OD2-CG2 3.07Å; D131-T134 PolarHBondContact OD2-N 2.87Å; D131-T134 PolarHBondContact OD2-OG1 3.28Å; T134-L136 PolarHBondContact O-N 2.92Å; T134-L136 PolarHBondContact OG1-N 2.03Å
135	G	66.9	Low	83.2	Confident	24 Å²	24	41.9 Å²	41.9	25%	0.247	23%	0.233	C	C	.	.			trans	72.9	3.3	-173	0	0	0	0	0	114.7	D131 K160	D131-G135 WeakPolarHBondContact O-CA 3.1Å; D131-G135 PolarHBondContact O-N 3.42Å; G135-K160 PolarHBondContact O-NZ 2.86Å
136	L	69.3	Low	83.2	Confident	85 Å²	85	42 Å²	42	45%	0.445	23%	0.234	S	C	.	.			trans	-73.9	159.3	171	-62.8	170.2	0	0	0	110.6	I130 D131 T134	I130-L136 CarbonylContact C-O 3.6Å; I130-L136 WeakPolarHBondContact CA-O 3.29Å; I130-L136 WeakPolarHBondContact CG1-O 3.22Å; D131-L136 PolarHBondContact N-O 2.92Å; T134-L136 PolarHBondContact O-N 2.92Å; T134-L136 PolarHBondContact OG1-N 2.03Å
137	G	77.2	Confident	83.3	Confident	10 Å²	10	42.2 Å²	42.2	10%	0.103	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	169.3	-176.9	-176.6	0	0	0	0	0	113	N129 T139	N129-G137 WeakPolarHBondContact O-CA 3.44Å; G137-T139 PolarHBondContact O-N 3.5Å
138	T	82.4	Confident	83.5	Confident	2 Å²	2	42 Å²	42	1%	0.012	23%	0.234	C	C	.	.			trans	-70.9	122.6	-178.9	-48.5	0	0	0	0	111.4	V101 I104 N129 K160 L161	V101-T138 WeakPolarHBondContact O-CA 3.07Å; V101-T138 VanDerWaalsContact O-CB 3.3Å; V101-T138 WeakPolarHBondContact O-CB 3.04Å; V101-T138 PolarHBondContact O-N 3.08Å; V101-T138 PolarHBondContact O-OG1 2.83Å; I104-T138 HydrophobicContact CD1-CG2 3.95Å; I104-T138 HydrophobicContact CG1-CG2 3.96Å; N129-T138 PolarHBondContact O-N 3.39Å; N129-T138 VanDerWaalsContact O-N 3.07Å; T138-K160 CarbonylContact O-C 2.98Å; T138-L161 HydrophobicContact CG2-CD2 3.87Å
139	T	82.6	Confident	84	Confident	54 Å²	54	40.6 Å²	40.6	33%	0.331	22%	0.222	S	C	.	.			trans	-106.2	-37.8	177.1	51.8	0	0	0	0	112	S102 G137 C162	S102-T139 PolarHBondContact O-N 3.18Å; S102-T139 PolarHBondContact O-OG1 2.98Å; G137-T139 PolarHBondContact O-N 3.5Å; T139-C162 PolarHBondContact O-N 2.92Å
140	E	88.1	Confident	84.3	Confident	58 Å²	58	43 Å²	43	27%	0.271	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.8	179.8	-67.9	-174.6	178.6	0	0	111.7	S102 R103 I104	S102-E140 PolarHBondContact O-N 2.93Å; R103-E140 WeakPolarHBondContact CA-O 3.29Å; R103-E140 HydrophobicContact CB-CB 4.1Å; R103-E140 VanDerWaalsContact CD-OE2 3.28Å; R103-E140 WeakPolarHBondContact CD-OE2 3.03Å; R103-E140 HydrophobicContact CG-CB 3.99Å; R103-E140 IonicContact CZ-OE2 2.61Å; R103-E140 IonicContact NE-OE2 3.03Å; R103-E140 IonicContact NH1-OE2 3.98Å; R103-E140 PolarHBondContact NH1-OE2 3.12Å; I104-E140 PolarHBondContact N-O 3.3Å
141	L	91.7	Very high	84.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	102.5	170.5	174.6	59.3	0	0	0	109.4	I96 I104 V126 L143 F156 L161 V164	I96-L141 HydrophobicContact CD1-CD1 3.61Å; I96-L141 HydrophobicContact CD1-CD2 4.4Å; I104-L141 HydrophobicContact CB-CD1 4.13Å; I104-L141 HydrophobicContact CG2-CD1 4.18Å; V126-L141 HydrophobicContact CG1-CD2 4.4Å; V126-L141 HydrophobicContact CG2-CD2 4.06Å; L141-L143 HydrophobicContact CD1-CD1 4.23Å; L141-L143 HydrophobicContact CD1-CG 4.24Å; L141-L143 HydrophobicContact CD2-CD1 3.96Å; L141-L143 HydrophobicContact CG-CD1 3.92Å; L141-L143 HydrophobicContact CG-CG 4.19Å; L141-L143 PolarHBondContact O-N 3.37Å; L141-F156 HydrophobicContact CD2-CE1 4.01Å; L141-F156 HydrophobicContact CD2-CZ 4.25Å; L141-L161 HydrophobicContact CB-CD2 3.76Å; L141-L161 HydrophobicContact CD2-CD1 4.34Å; L141-V164 HydrophobicContact CB-CG2 4.4Å
142	L	93.1	Very high	85.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.5	-173.6	-58.3	-177.8	0	0	0	110.8	R103 I104 L106 E107 A206	R103-L142 HydrophobicContact CG-CD1 4.46Å; I104-L142 PolarHBondContact O-N 3.3Å; I104-L142 VanDerWaalsContact O-N 3.08Å; L106-L142 CarbonylContact C-O 3.28Å; L106-L142 VanDerWaalsContact CA-O 3.25Å; L106-L142 WeakPolarHBondContact CA-O 3.22Å; L106-L142 WeakPolarHBondContact CB-O 3.45Å; L106-L142 PolarHBondContact N-O 2.83Å; E107-L142 HydrophobicContact CG-CB 3.7Å; E107-L142 HydrophobicContact CG-CD1 3.84Å; E107-L142 HydrophobicContact CG-CG 4.45Å; E107-L142 PolarHBondContact N-O 2.9Å; E107-L142 WeakPolarHBondContact OE1-CD1 3.4Å; L142-A206 HydrophobicContact CD2-CB 3.35Å
143	L	95.3	Very high	86.7	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.198	C	C	.	.			trans	-123	40.4	175.6	-68.3	167.6	0	0	0	109.9	L106 L109 L124 L141 S145 L146 W205	L106-L143 HydrophobicContact CB-CD2 3.61Å; L106-L143 HydrophobicContact CD1-CD2 4.03Å; L106-L143 HydrophobicContact CG-CD2 4.49Å; L109-L143 HydrophobicContact CB-CD2 4.49Å; L109-L143 HydrophobicContact CD2-CD2 3.92Å; L124-L143 HydrophobicContact CD2-CD1 4.09Å; L141-L143 HydrophobicContact CD1-CD1 4.23Å; L141-L143 HydrophobicContact CD1-CG 4.24Å; L141-L143 HydrophobicContact CD2-CD1 3.96Å; L141-L143 HydrophobicContact CG-CD1 3.92Å; L141-L143 HydrophobicContact CG-CG 4.19Å; L141-L143 PolarHBondContact O-N 3.37Å; L143-S145 VanDerWaalsContact C-N 3.28Å; L143-S145 PolarHBondContact O-N 2.94Å; L143-L146 HydrophobicContact CB-CB 3.96Å; L143-L146 HydrophobicContact CB-CD2 4.18Å; L143-L146 HydrophobicContact CD1-CD2 4.06Å; L143-L146 HydrophobicContact CD2-CD2 4.28Å; L143-L146 HydrophobicContact CG-CD2 4.42Å; L143-L146 VanDerWaalsContact O-CB 3.26Å; L143-L146 WeakPolarHBondContact O-CB 3.47Å; L143-L146 PolarHBondContact O-N 2.92Å; L143-W205 HydrophobicContact CB-CD2 3.94Å; L143-W205 HydrophobicContact CB-CE3 3.9Å; L143-W205 HydrophobicContact CB-CH2 3.75Å; L143-W205 HydrophobicContact CB-CZ2 3.77Å; L143-W205 HydrophobicContact CB-CZ3 3.82Å; L143-W205 HydrophobicContact CD1-CE3 4.46Å; L143-W205 HydrophobicContact CD1-CH2 3.96Å; L143-W205 HydrophobicContact CD1-CZ3 3.79Å; L143-W205 HydrophobicContact CG-CH2 4.5Å; L143-W205 HydrophobicContact CG-CZ3 4.33Å; L143-W205 VanDerWaalsContact O-CE2 3.27Å; L143-W205 PolarHBondContact O-NE1 3.28Å; L143-W205 VanDerWaalsContact O-NE1 3.08Å
144	T	92.6	Very high	88.1	Confident	21 Å²	21	27.5 Å²	27.5	13%	0.129	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.5	-168.6	46	0	0	0	0	114.5	E107 W205 N211	E107-T144 PolarHBondContact O-OG1 2.97Å; E107-T144 VanDerWaalsContact O-OG1 3.08Å; T144-W205 HydrophobicContact CG2-CB 4.22Å; T144-W205 HydrophobicContact CG2-CG 4.39Å; T144-N211 HydrophobicContact CG2-CB 4.29Å; T144-N211 WeakPolarHBondContact CG2-OD1 3.29Å
145	S	95.2	Very high	89.4	Confident	37 Å²	37	24.3 Å²	24.3	26%	0.259	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.5	174.1	-58.8	0	0	0	0	114.9	E107 L109 R110 L143 T147	E107-S145 VanDerWaalsContact O-CB 3.24Å; E107-S145 WeakPolarHBondContact O-CB 3.03Å; E107-S145 PolarHBondContact O-N 3.23Å; E107-S145 PolarHBondContact O-OG 2.95Å; L109-S145 CarbonylContact O-C 3.58Å; L109-S145 VanDerWaalsContact O-C 3.24Å; R110-S145 WeakPolarHBondContact CA-O 3.43Å; L143-S145 VanDerWaalsContact C-N 3.28Å; L143-S145 PolarHBondContact O-N 2.94Å; S145-T147 PolarHBondContact O-N 3.06Å; S145-T147 VanDerWaalsContact O-N 3.13Å; S145-T147 PolarHBondContact O-OG1 2.73Å
146	L	96.8	Very high	90.6	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.129	C	C	.	.			trans	-74.4	107.8	-170.5	-178.8	62.2	0	0	0	111	L109 I112 L124 L143 I149 I172	L109-L146 WeakPolarHBondContact O-CA 3.26Å; L109-L146 WeakPolarHBondContact O-CB 3.15Å; L109-L146 PolarHBondContact O-N 2.85Å; I112-L146 HydrophobicContact CD1-CD1 4.24Å; I112-L146 HydrophobicContact CD1-CD2 4.27Å; I112-L146 HydrophobicContact CG1-CD1 4.11Å; L124-L146 HydrophobicContact CD2-CD2 4.46Å; L143-L146 HydrophobicContact CB-CB 3.96Å; L143-L146 HydrophobicContact CB-CD2 4.18Å; L143-L146 HydrophobicContact CD1-CD2 4.06Å; L143-L146 HydrophobicContact CD2-CD2 4.28Å; L143-L146 HydrophobicContact CG-CD2 4.42Å; L143-L146 VanDerWaalsContact O-CB 3.26Å; L143-L146 WeakPolarHBondContact O-CB 3.47Å; L143-L146 PolarHBondContact O-N 2.92Å; L146-I149 HydrophobicContact CD1-CG1 4.48Å; L146-I172 HydrophobicContact CG-CG2 4.12Å; L146-I172 WeakPolarHBondContact O-CD1 3.47Å
147	T	95.3	Very high	91.4	Very high	7 Å²	7	22 Å²	22	4%	0.043	12%	0.121	C	C	.	.			trans	-125.7	-10.9	-172.4	43.5	0	0	0	0	113.2	R110 S145 I172 T216 R227 A243	R110-T147 PolarHBondContact O-N 3.27Å; R110-T147 VanDerWaalsContact O-N 3.14Å; S145-T147 PolarHBondContact O-N 3.06Å; S145-T147 VanDerWaalsContact O-N 3.13Å; S145-T147 PolarHBondContact O-OG1 2.73Å; T147-I172 WeakPolarHBondContact O-CA 3.37Å; T147-T216 HydrophobicContact CG2-CG2 3.91Å; T147-R227 PolarHBondContact O-NH1 3.04Å; T147-R227 PolarHBondContact O-NH2 2.75Å; T147-A243 WeakPolarHBondContact CB-O 3.41Å; T147-A243 WeakPolarHBondContact OG1-CA 3.39Å; T147-A243 WeakPolarHBondContact OG1-CB 3.41Å; T147-A243 PolarHBondContact OG1-O 2.83Å
148	E	95.5	Very high	91.3	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.093	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.4	179	-173.8	67.3	-89.6	0	0	113.2	R110 I111 I112 L150 I172 R227 A242	R110-E148 PolarHBondContact O-N 2.75Å; I111-E148 WeakPolarHBondContact CA-O 3.35Å; I111-E148 HydrophobicContact CB-CB 4.49Å; I111-E148 HydrophobicContact CD1-CB 4.36Å; I111-E148 HydrophobicContact CD1-CG 4.12Å; I111-E148 HydrophobicContact CG1-CB 4.08Å; I111-E148 HydrophobicContact CG1-CG 4.15Å; I112-E148 PolarHBondContact N-O 3.11Å; I112-E148 VanDerWaalsContact N-O 3.12Å; E148-L150 HydrophobicContact CG-CD2 3.56Å; E148-L150 HydrophobicContact CG-CG 4.02Å; E148-I172 WeakPolarHBondContact CA-O 3.49Å; E148-R227 IonicContact OE1-NH2 2.73Å; E148-R227 PolarHBondContact OE1-NH2 3.2Å; E148-R227 IonicContact OE2-CZ 3.46Å; E148-R227 VanDerWaalsContact OE2-CZ 3.31Å; E148-R227 IonicContact OE2-NE 3.74Å; E148-R227 PolarHBondContact OE2-NE 2.99Å; E148-R227 IonicContact OE2-NH2 2.72Å; E148-R227 PolarHBondContact OE2-NH2 2.74Å; E148-A242 HydrophobicContact CG-CB 4.23Å
149	I	96.3	Very high	90.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	101.6	163.6	-66.2	175.6	0	0	0	107.1	I112 A123 L124 L146 K151 V154 I172 V173	I112-I149 HydrophobicContact CB-CG1 4.23Å; I112-I149 HydrophobicContact CD1-CD1 4.21Å; I112-I149 HydrophobicContact CD1-CG1 4.26Å; I112-I149 WeakPolarHBondContact O-CA 3.5Å; A123-I149 HydrophobicContact CB-CG2 3.79Å; L124-I149 HydrophobicContact CB-CD1 4.45Å; L146-I149 HydrophobicContact CD1-CG1 4.48Å; I149-K151 PolarHBondContact O-N 3.35Å; I149-V154 HydrophobicContact CD1-CG2 3.96Å; I149-I172 HydrophobicContact CB-CG2 4.4Å; I149-I172 HydrophobicContact CD1-CG2 3.91Å; I149-I172 HydrophobicContact CG1-CG2 3.77Å; I149-I172 PolarHBondContact N-O 3.4Å; I149-V173 HydrophobicContact CB-CG2 4.29Å; I149-V173 HydrophobicContact CD1-CG2 4.16Å; I149-V173 HydrophobicContact CG2-CG1 4.46Å
150	L	92	Very high	90.3	Very high	51 Å²	51	31.2 Å²	31.2	27%	0.267	16%	0.162	S	C	.	.			trans	-66.1	-38	-170.8	-66.9	178.6	0	0	0	112.8	I111 I112 R113 E148	I111-L150 HydrophobicContact CD1-CD1 4Å; I111-L150 HydrophobicContact CD1-CD2 4.48Å; I111-L150 HydrophobicContact CD1-CG 4.07Å; I111-L150 HydrophobicContact CG1-CG 4.48Å; I112-L150 PolarHBondContact O-N 3.3Å; I112-L150 VanDerWaalsContact O-N 3.15Å; R113-L150 HydrophobicContact CB-CD1 4.21Å; R113-L150 HydrophobicContact CG-CD1 4.02Å; E148-L150 HydrophobicContact CG-CD2 3.56Å; E148-L150 HydrophobicContact CG-CG 4.02Å
151	K	92.1	Very high	90.1	Very high	102 Å²	102	29.6 Å²	29.6	44%	0.443	16%	0.155	S	C	.	.	S	Bend	trans	-147.8	146.2	-176.1	175.2	175.1	161.4	-117.8	0	109.7	G114 H115 L117 A123 I149	G114-K151 WeakPolarHBondContact O-CD 3.4Å; G114-K151 WeakPolarHBondContact O-CE 3.46Å; G114-K151 PolarHBondContact O-NZ 3.35Å; H115-K151 PolarHBondContact O-NZ 3.45Å; L117-K151 HydrophobicContact CD1-CG 4.5Å; A123-K151 VanDerWaalsContact CB-O 3.24Å; A123-K151 WeakPolarHBondContact CB-O 3.5Å; I149-K151 PolarHBondContact O-N 3.35Å
152	G	91.6	Very high	89.9	Confident	12 Å²	12	30.2 Å²	30.2	12%	0.124	16%	0.159	C	C	.	.			trans	91.3	165.6	-176.3	0	0	0	0	0	113.2	K121	K121-G152 WeakPolarHBondContact O-CA 3.42Å
153	G	93.8	Very high	89.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-163.1	175.6	0	0	0	0	0	113.7	K121 F122 A123 L124 S180	K121-G153 PolarHBondContact O-N 2.94Å; F122-G153 CarbonylContact C-O 3.49Å; F122-G153 WeakPolarHBondContact CA-O 3.23Å; A123-G153 PolarHBondContact N-O 2.87Å; L124-G153 PolarHBondContact N-O 2.99Å; G153-S180 VanDerWaalsContact CA-O 3.26Å; G153-S180 WeakPolarHBondContact CA-O 3.28Å
154	V	95.8	Very high	89.4	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.7	-171.4	-177.9	0	0	0	0	110.5	L124 I149 F156 W169 V173 S180 M181 E182	L124-V154 HydrophobicContact CB-CG1 4.32Å; L124-V154 HydrophobicContact CB-CG2 4.4Å; L124-V154 HydrophobicContact CD2-CG1 4.16Å; L124-V154 HydrophobicContact CG-CG1 4.34Å; L124-V154 CarbonylContact O-C 3.51Å; L124-V154 WeakPolarHBondContact O-CA 3.35Å; I149-V154 HydrophobicContact CD1-CG2 3.96Å; V154-F156 HydrophobicContact CG1-CD2 3.79Å; V154-F156 HydrophobicContact CG1-CE2 3.45Å; V154-F156 VanDerWaalsContact CG1-CE2 3.45Å; V154-W169 HydrophobicContact CB-CE3 4.46Å; V154-W169 HydrophobicContact CB-CZ3 4.47Å; V154-W169 HydrophobicContact CG1-CE3 4.16Å; V154-W169 HydrophobicContact CG1-CH2 3.91Å; V154-W169 HydrophobicContact CG1-CZ2 4.33Å; V154-W169 HydrophobicContact CG1-CZ3 3.82Å; V154-W169 HydrophobicContact CG2-CE3 3.92Å; V154-W169 HydrophobicContact CG2-CZ3 3.94Å; V154-V173 HydrophobicContact CG2-CG2 3.85Å; V154-S180 PolarHBondContact N-O 3.19Å; V154-M181 HydrophobicContact CB-CE 3.8Å; V154-M181 HydrophobicContact CB-SD 4.07Å; V154-M181 HydrophobicContact CG2-CE 3.91Å; V154-M181 HydrophobicContact CG2-SD 4.21Å; V154-M181 WeakPolarHBondContact O-CA 3.37Å; V154-E182 PolarHBondContact O-N 3.12Å
155	K	94.3	Very high	89.1	Confident	23 Å²	23	33.1 Å²	33.1	10%	0.1	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.6	-177.3	179.4	168.4	-177.7	168.3	0	112.7	E119 F122 L124 S125 V126 L127 V157 E182	E119-K155 IonicContact OE1-NZ 3.78Å; E119-K155 PolarHBondContact OE1-NZ 3.05Å; E119-K155 IonicContact OE2-NZ 3.75Å; E119-K155 PolarHBondContact OE2-NZ 2.72Å; F122-K155 HydrophobicContact CB-CB 4.39Å; F122-K155 HydrophobicContact CD1-CB 3.65Å; F122-K155 HydrophobicContact CD2-CB 4.18Å; F122-K155 HydrophobicContact CD2-CD 3.82Å; F122-K155 HydrophobicContact CE1-CB 3.87Å; F122-K155 HydrophobicContact CE1-CD 4.38Å; F122-K155 HydrophobicContact CE2-CB 4.4Å; F122-K155 HydrophobicContact CE2-CD 3.61Å; F122-K155 HydrophobicContact CG-CB 3.8Å; F122-K155 HydrophobicContact CG-CD 4.32Å; F122-K155 HydrophobicContact CZ-CB 4.25Å; F122-K155 HydrophobicContact CZ-CD 3.91Å; L124-K155 PolarHBondContact O-N 2.96Å; S125-K155 CarbonylContact C-O 3.48Å; S125-K155 WeakPolarHBondContact CA-O 3.33Å; V126-K155 PolarHBondContact N-O 2.04Å; L127-K155 HydrophobicContact CD2-CD 4.06Å; L127-K155 HydrophobicContact CD2-CG 3.89Å; K155-V157 HydrophobicContact CD-CG2 4.46Å; K155-V157 HydrophobicContact CG-CG2 3.92Å; K155-E182 CarbonylContact C-O 3.51Å; K155-E182 WeakPolarHBondContact CA-O 3.49Å; K155-E182 HydrophobicContact CB-CB 4.31Å; K155-E182 WeakPolarHBondContact CD-OE2 3.26Å; K155-E182 WeakPolarHBondContact CE-OE2 3.31Å; K155-E182 HydrophobicContact CG-CB 4.08Å; K155-E182 WeakPolarHBondContact CG-OE2 3.31Å; K155-E182 IonicContact NZ-OE2 3.73Å
156	F	92.4	Very high	88.9	Confident	13 Å²	13	33.3 Å²	33.3	6%	0.057	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.1	174.2	-77.3	-93.5	0	0	0	110.3	L124 V126 L141 V154 L161 V164 W169 E182 P184	L124-F156 HydrophobicContact CD2-CZ 4.45Å; V126-F156 HydrophobicContact CB-CD1 3.6Å; V126-F156 HydrophobicContact CB-CE1 3.59Å; V126-F156 HydrophobicContact CB-CG 4.31Å; V126-F156 HydrophobicContact CB-CZ 4.29Å; V126-F156 HydrophobicContact CG1-CD1 4.04Å; V126-F156 HydrophobicContact CG1-CE1 3.93Å; V126-F156 HydrophobicContact CG2-CD1 4.04Å; V126-F156 HydrophobicContact CG2-CE1 3.52Å; V126-F156 HydrophobicContact CG2-CE2 4.5Å; V126-F156 HydrophobicContact CG2-CZ 3.79Å; V126-F156 WeakPolarHBondContact O-CA 3.36Å; L141-F156 HydrophobicContact CD2-CE1 4.01Å; L141-F156 HydrophobicContact CD2-CZ 4.25Å; V154-F156 HydrophobicContact CG1-CD2 3.79Å; V154-F156 HydrophobicContact CG1-CE2 3.45Å; V154-F156 VanDerWaalsContact CG1-CE2 3.45Å; F156-L161 HydrophobicContact CD1-CD1 3.79Å; F156-L161 HydrophobicContact CE1-CD1 3.63Å; F156-V164 HydrophobicContact CE1-CG1 3.79Å; F156-V164 HydrophobicContact CE2-CG1 4.25Å; F156-V164 HydrophobicContact CZ-CG1 3.62Å; F156-W169 HydrophobicContact CD2-CZ2 4.49Å; F156-W169 AromaticContact CE2-CH2 3.67Å; F156-W169 HydrophobicContact CE2-CH2 3.67Å; F156-W169 AromaticContact CE2-CZ2 3.48Å; F156-W169 HydrophobicContact CE2-CZ2 3.48Å; F156-W169 VanDerWaalsContact CE2-CZ2 3.48Å; F156-W169 AromaticContact CZ-CH2 3.97Å; F156-W169 HydrophobicContact CZ-CH2 3.97Å; F156-W169 AromaticContact CZ-CZ2 3.89Å; F156-W169 HydrophobicContact CZ-CZ2 3.89Å; F156-E182 PolarHBondContact N-O 2.91Å; F156-P184 HydrophobicContact CB-CB 4.03Å; F156-P184 HydrophobicContact CB-CG 4.32Å; F156-P184 HydrophobicContact CD2-CG 4.45Å; F156-P184 HydrophobicContact CG-CB 4.34Å; F156-P184 HydrophobicContact CG-CG 4.21Å
157	V	86.2	Confident	88.8	Confident	47 Å²	47	33.7 Å²	33.7	29%	0.285	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.4	-177.7	-179.7	0	0	0	0	110.7	V126 L127 A128 K155 N159	V126-V157 PolarHBondContact O-N 3.5Å; L127-V157 WeakPolarHBondContact CA-O 3.46Å; L127-V157 HydrophobicContact CD2-CB 3.94Å; L127-V157 HydrophobicContact CD2-CG2 4.08Å; A128-V157 PolarHBondContact N-O 3.14Å; K155-V157 HydrophobicContact CD-CG2 4.46Å; K155-V157 HydrophobicContact CG-CG2 3.92Å; V157-N159 PolarHBondContact N-ND2 2.92Å; V157-N159 PolarHBondContact O-N 3.2Å; V157-N159 PolarHBondContact O-ND2 3Å; V157-N159 VanDerWaalsContact O-ND2 3.12Å
158	N	73.5	Confident	88.7	Confident	126 Å²	126	36.1 Å²	36.1	67%	0.674	18%	0.183	S	C	*	.	S	Bend	trans	56	46.2	171.6	-59.6	-17.4	0	0	0	116	A128 I130	A128-N158 WeakPolarHBondContact CA-O 3.07Å; A128-N158 HydrophobicContact CB-CB 4.42Å; I130-N158 WeakPolarHBondContact CG2-O 3.38Å
159	N	70.9	Confident	88.6	Confident	39 Å²	39	35.6 Å²	35.6	21%	0.209	18%	0.181	C	C	.	.			trans	-116.3	158.8	176.7	-47.3	-76	0	0	0	112	V126 A128 N129 V157 L161	V126-N159 PolarHBondContact O-ND2 2.66Å; A128-N159 PolarHBondContact N-OD1 3.34Å; N129-N159 WeakPolarHBondContact CB-OD1 3.45Å; N129-N159 PolarHBondContact N-OD1 3.29Å; N129-N159 PolarHBondContact ND2-OD1 2.65Å; V157-N159 PolarHBondContact N-ND2 2.92Å; V157-N159 PolarHBondContact O-N 3.2Å; V157-N159 PolarHBondContact O-ND2 3Å; V157-N159 VanDerWaalsContact O-ND2 3.12Å; N159-L161 HydrophobicContact CB-CD1 4Å; N159-L161 HydrophobicContact CB-CG 3.95Å
160	K	74.9	Confident	88.4	Confident	96 Å²	96	41.3 Å²	41.3	42%	0.417	21%	0.206	S	C	.	.			trans	-103.7	33.9	172.2	-83.5	-177.7	175.9	179.2	0	113	I130 G135 T138	I130-K160 HydrophobicContact CD1-CD 3.67Å; I130-K160 HydrophobicContact CD1-CG 3.97Å; I130-K160 HydrophobicContact CG1-CD 4.35Å; G135-K160 PolarHBondContact O-NZ 2.86Å; T138-K160 CarbonylContact O-C 2.98Å
161	L	83.6	Confident	88.4	Confident	24 Å²	24	38.9 Å²	38.9	13%	0.126	19%	0.193	C	C	.	.			trans	-64.8	145.1	178.5	-66.6	166.5	0	0	0	111.2	V126 T138 L141 F156 N159 V164	V126-L161 HydrophobicContact CG1-CD1 3.99Å; T138-L161 HydrophobicContact CG2-CD2 3.87Å; L141-L161 HydrophobicContact CB-CD2 3.76Å; L141-L161 HydrophobicContact CD2-CD1 4.34Å; F156-L161 HydrophobicContact CD1-CD1 3.79Å; F156-L161 HydrophobicContact CE1-CD1 3.63Å; N159-L161 HydrophobicContact CB-CD1 4Å; N159-L161 HydrophobicContact CB-CG 3.95Å; L161-V164 HydrophobicContact CB-CG2 4.22Å; L161-V164 HydrophobicContact CD1-CG2 4.39Å
162	C	86.2	Confident	88.6	Confident	14 Å²	14	34 Å²	34	10%	0.095	17%	0.172	C	C	.	.	S	Bend	trans	-101.6	155.4	168.5	-63.2	0	0	0	0	110.4	T139 V164 C192	T139-C162 PolarHBondContact O-N 2.92Å; C162-V164 PolarHBondContact O-N 3.13Å; C162-C192 VanDerWaalsContact CA-SG 3.56Å; C162-C192 HydrophobicContact CB-CB 3.7Å; C162-C192 WeakPolarHBondContact CB-SG 3.3Å; C162-C192 WeakPolarHBondContact SG-CA 3.46Å; C162-C192 WeakPolarHBondContact SG-CB 3.39Å; C162-C192 CovalentContact SG-SG 2.04Å; C162-C192 PolarHBondContact SG-SG 2.83Å
163	N	88.7	Confident	88.6	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.037	17%	0.167	C	C	.	.	S	Bend	trans	66.5	-26.4	169.7	-49.9	110.9	0	0	0	116.8	E165 T166 N193 C204 P207	N163-E165 VanDerWaalsContact C-OE2 3.26Å; N163-E165 WeakPolarHBondContact CA-OE1 3.48Å; N163-E165 WeakPolarHBondContact CA-OE2 3.39Å; N163-E165 PolarHBondContact N-OE1 3.44Å; N163-E165 VanDerWaalsContact N-OE1 3.12Å; N163-E165 PolarHBondContact N-OE2 3.33Å; N163-E165 PolarHBondContact O-N 2.83Å; N163-E165 VanDerWaalsContact O-N 3.13Å; N163-T166 VanDerWaalsContact O-CB 3.3Å; N163-T166 WeakPolarHBondContact O-CB 3.26Å; N163-T166 WeakPolarHBondContact O-CG2 3.45Å; N163-T166 PolarHBondContact O-N 3.31Å; N163-T166 PolarHBondContact O-OG1 2.82Å; N163-N193 PolarHBondContact ND2-O 2.95Å; N163-C204 CarbonylContact C-O 3.24Å; N163-C204 WeakPolarHBondContact CB-O 3.41Å; N163-P207 WeakPolarHBondContact OD1-CD 3.47Å
164	V	89.3	Confident	88.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.2	-25.3	-179.3	-174.2	0	0	0	0	112.9	L141 F156 L161 C162 T166 I167 W169 P184 W205	L141-V164 HydrophobicContact CB-CG2 4.4Å; F156-V164 HydrophobicContact CE1-CG1 3.79Å; F156-V164 HydrophobicContact CE2-CG1 4.25Å; F156-V164 HydrophobicContact CZ-CG1 3.62Å; L161-V164 HydrophobicContact CB-CG2 4.22Å; L161-V164 HydrophobicContact CD1-CG2 4.39Å; C162-V164 PolarHBondContact O-N 3.13Å; V164-T166 PolarHBondContact O-N 3.03Å; V164-I167 PolarHBondContact O-N 3.14Å; V164-W169 HydrophobicContact CG1-CZ2 3.89Å; V164-P184 HydrophobicContact CG1-CG 4.28Å; V164-W205 HydrophobicContact CG1-CZ3 4.14Å; V164-W205 HydrophobicContact CG2-CE3 4.34Å
165	E	87.6	Confident	87.7	Confident	75 Å²	75	38.3 Å²	38.3	35%	0.35	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-63.9	-17.7	170.6	72.2	-68	159.4	0	0	114.3	N163 P184 A186	N163-E165 VanDerWaalsContact C-OE2 3.26Å; N163-E165 WeakPolarHBondContact CA-OE1 3.48Å; N163-E165 WeakPolarHBondContact CA-OE2 3.39Å; N163-E165 PolarHBondContact N-OE1 3.44Å; N163-E165 VanDerWaalsContact N-OE1 3.12Å; N163-E165 PolarHBondContact N-OE2 3.33Å; N163-E165 PolarHBondContact O-N 2.83Å; N163-E165 VanDerWaalsContact O-N 3.13Å; E165-P184 HydrophobicContact CB-CG 4.42Å; E165-A186 HydrophobicContact CG-CB 4.27Å
166	T	90.9	Very high	87.1	Confident	42 Å²	42	45.5 Å²	45.5	26%	0.258	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-86.4	-10.7	178.6	73.1	0	0	0	0	113.8	N163 V164 S203 C204	N163-T166 VanDerWaalsContact O-CB 3.3Å; N163-T166 WeakPolarHBondContact O-CB 3.26Å; N163-T166 WeakPolarHBondContact O-CG2 3.45Å; N163-T166 PolarHBondContact O-N 3.31Å; N163-T166 PolarHBondContact O-OG1 2.82Å; V164-T166 PolarHBondContact O-N 3.03Å; T166-S203 VanDerWaalsContact O-CB 3.27Å; T166-S203 WeakPolarHBondContact O-CB 3.42Å; T166-S203 PolarHBondContact O-OG 2.9Å; T166-S203 WeakPolarHBondContact OG1-CA 3.26Å; T166-C204 PolarHBondContact OG1-N 2.95Å; T166-C204 PolarHBondContact OG1-O 2.85Å; T166-C204 VanDerWaalsContact OG1-O 3.12Å
167	I	93.9	Very high	86.5	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.051	26%	0.255	C	S	.	.			trans	-71.4	130	-170.1	-64.1	-63.3	0	0	0	112.5	V164 W169 I172 C204 W205 Q213	V164-I167 PolarHBondContact O-N 3.14Å; I167-W169 VanDerWaalsContact C-N 3.3Å; I167-W169 HydrophobicContact CB-CZ2 4.37Å; I167-W169 HydrophobicContact CG2-CD2 3.92Å; I167-W169 HydrophobicContact CG2-CE3 4.45Å; I167-W169 HydrophobicContact CG2-CG 4.16Å; I167-W169 HydrophobicContact CG2-CZ2 4.14Å; I167-W169 PolarHBondContact O-N 2.88Å; I167-I172 HydrophobicContact CG2-CD1 3.9Å; I167-C204 WeakPolarHBondContact CD1-O 3.4Å; I167-W205 HydrophobicContact CD1-CD2 3.62Å; I167-W205 HydrophobicContact CD1-CE3 4.08Å; I167-W205 HydrophobicContact CD1-CG 3.91Å; I167-W205 HydrophobicContact CD1-CZ2 4.12Å; I167-W205 HydrophobicContact CD1-CZ3 4.48Å; I167-W205 HydrophobicContact CG1-CD2 4.06Å; I167-W205 HydrophobicContact CG1-CE3 3.99Å; I167-W205 HydrophobicContact CG1-CH2 4.21Å; I167-W205 HydrophobicContact CG1-CZ2 4.29Å; I167-W205 HydrophobicContact CG1-CZ3 4.05Å; I167-W205 HydrophobicContact CG2-CH2 4.12Å; I167-W205 HydrophobicContact CG2-CZ2 4.09Å; I167-Q213 HydrophobicContact CD1-CB 4.13Å; I167-Q213 HydrophobicContact CD1-CG 4.39Å
168	Q	93.5	Very high	86.3	Confident	57 Å²	57	55.3 Å²	55.3	27%	0.266	28%	0.279	S	S	.	.			trans	-78.2	75.3	174.4	-52.2	-140.5	-54.2	0	0	110.7	F170 D171 N201 S203 Q213 L215 L218	Q168-F170 PolarHBondContact O-N 2.78Å; Q168-D171 PolarHBondContact O-N 2.88Å; Q168-N201 PolarHBondContact NE2-ND2 3.33Å; Q168-N201 VanDerWaalsContact NE2-ND2 3.19Å; Q168-S203 VanDerWaalsContact CG-OG 3.32Å; Q168-S203 WeakPolarHBondContact CG-OG 3.39Å; Q168-Q213 PolarHBondContact O-NE2 2.78Å; Q168-L215 HydrophobicContact CB-CD2 4.29Å; Q168-L218 HydrophobicContact CB-CD1 4.11Å
169	W	93.5	Very high	86.9	Confident	9 Å²	9	50.6 Å²	50.6	3%	0.034	26%	0.256	C	S	.	.	H	α-helix	trans	-55.5	-21.9	-174.7	-71.1	97.7	0	0	0	115.6	L124 V154 F156 V164 I167 D171 I172 V173 M181 L183 W205	L124-W169 HydrophobicContact CD2-CH2 3.82Å; L124-W169 HydrophobicContact CD2-CZ3 3.99Å; V154-W169 HydrophobicContact CB-CE3 4.46Å; V154-W169 HydrophobicContact CB-CZ3 4.47Å; V154-W169 HydrophobicContact CG1-CE3 4.16Å; V154-W169 HydrophobicContact CG1-CH2 3.91Å; V154-W169 HydrophobicContact CG1-CZ2 4.33Å; V154-W169 HydrophobicContact CG1-CZ3 3.82Å; V154-W169 HydrophobicContact CG2-CE3 3.92Å; V154-W169 HydrophobicContact CG2-CZ3 3.94Å; F156-W169 HydrophobicContact CD2-CZ2 4.49Å; F156-W169 AromaticContact CE2-CH2 3.67Å; F156-W169 HydrophobicContact CE2-CH2 3.67Å; F156-W169 AromaticContact CE2-CZ2 3.48Å; F156-W169 HydrophobicContact CE2-CZ2 3.48Å; F156-W169 VanDerWaalsContact CE2-CZ2 3.48Å; F156-W169 AromaticContact CZ-CH2 3.97Å; F156-W169 HydrophobicContact CZ-CH2 3.97Å; F156-W169 AromaticContact CZ-CZ2 3.89Å; F156-W169 HydrophobicContact CZ-CZ2 3.89Å; V164-W169 HydrophobicContact CG1-CZ2 3.89Å; I167-W169 VanDerWaalsContact C-N 3.3Å; I167-W169 HydrophobicContact CB-CZ2 4.37Å; I167-W169 HydrophobicContact CG2-CD2 3.92Å; I167-W169 HydrophobicContact CG2-CE3 4.45Å; I167-W169 HydrophobicContact CG2-CG 4.16Å; I167-W169 HydrophobicContact CG2-CZ2 4.14Å; I167-W169 PolarHBondContact O-N 2.88Å; W169-D171 VanDerWaalsContact C-N 3.34Å; W169-I172 HydrophobicContact CE3-CD1 4.21Å; W169-I172 HydrophobicContact CZ3-CD1 4.31Å; W169-I172 PolarHBondContact O-N 3.06Å; W169-V173 HydrophobicContact CE3-CG2 4.41Å; W169-V173 WeakPolarHBondContact O-CG2 3.32Å; W169-V173 PolarHBondContact O-N 3.08Å; W169-M181 HydrophobicContact CB-CE 3.97Å; W169-M181 HydrophobicContact CG-CE 4.35Å; W169-L183 HydrophobicContact CD2-CD2 4.17Å; W169-L183 HydrophobicContact CG-CD2 3.84Å; W169-W205 AromaticContact CH2-CH2 3.61Å; W169-W205 HydrophobicContact CH2-CH2 3.61Å; W169-W205 HydrophobicContact CH2-CZ3 4.01Å; W169-W205 HydrophobicContact CZ2-CH2 4.07Å; W169-W205 HydrophobicContact CZ2-CZ3 4.21Å; W169-W205 HydrophobicContact CZ3-CH2 4.17Å
170	F	91.1	Very high	87.8	Confident	120 Å²	120	51.3 Å²	51.3	53%	0.526	26%	0.264	S	S	.	.	H	α-helix	trans	-77.4	-12.5	177.4	-63.5	-61.6	0	0	0	114.7	Q168 A175 K217	Q168-F170 PolarHBondContact O-N 2.78Å; F170-A175 HydrophobicContact CD1-CB 3.98Å; F170-A175 HydrophobicContact CE1-CB 4.48Å; F170-K217 PolarHBondContact O-NZ 2.94Å
171	D	93.3	Very high	88.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.9	-43.3	164	-160.5	93.4	0	0	0	110	Q168 W169 L215 T216 K217 L218 R227	Q168-D171 PolarHBondContact O-N 2.88Å; W169-D171 VanDerWaalsContact C-N 3.34Å; D171-L215 HydrophobicContact CB-CD2 3.71Å; D171-T216 PolarHBondContact OD1-N 2.89Å; D171-T216 PolarHBondContact OD2-N 3.34Å; D171-K217 WeakPolarHBondContact O-CD 3.01Å; D171-K217 PolarHBondContact O-NZ 2.87Å; D171-K217 PolarHBondContact OD1-N 2.93Å; D171-L218 HydrophobicContact CB-CD1 3.89Å; D171-L218 HydrophobicContact CB-CG 3.85Å; D171-L218 WeakPolarHBondContact OD1-CB 3.41Å; D171-L218 PolarHBondContact OD1-N 2.03Å; D171-R227 PolarHBondContact O-NH1 3.48Å; D171-R227 PolarHBondContact O-NH2 3.43Å; D171-R227 IonicContact OD2-NH1 2.4Å; D171-R227 PolarHBondContact OD2-NH1 2.9Å
172	I	95	Very high	88.9	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-75.9	-54.4	-174.8	-54.7	175.9	0	0	0	111.6	L146 T147 E148 I149 I167 W169 W205	L146-I172 HydrophobicContact CG-CG2 4.12Å; L146-I172 WeakPolarHBondContact O-CD1 3.47Å; T147-I172 WeakPolarHBondContact O-CA 3.37Å; E148-I172 WeakPolarHBondContact CA-O 3.49Å; I149-I172 HydrophobicContact CB-CG2 4.4Å; I149-I172 HydrophobicContact CD1-CG2 3.91Å; I149-I172 HydrophobicContact CG1-CG2 3.77Å; I149-I172 PolarHBondContact N-O 3.4Å; I167-I172 HydrophobicContact CG2-CD1 3.9Å; W169-I172 HydrophobicContact CE3-CD1 4.21Å; W169-I172 HydrophobicContact CZ3-CD1 4.31Å; W169-I172 PolarHBondContact O-N 3.06Å; I172-W205 HydrophobicContact CD1-CH2 4.26Å; I172-W205 HydrophobicContact CD1-CZ2 3.78Å
173	V	93	Very high	89	Confident	2 Å²	2	55 Å²	55	1%	0.012	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-92.7	148.5	-172.9	-163	0	0	0	0	110.9	I149 V154 W169 A175 P179 M181 K217	I149-V173 HydrophobicContact CB-CG2 4.29Å; I149-V173 HydrophobicContact CD1-CG2 4.16Å; I149-V173 HydrophobicContact CG2-CG1 4.46Å; V154-V173 HydrophobicContact CG2-CG2 3.85Å; W169-V173 HydrophobicContact CE3-CG2 4.41Å; W169-V173 WeakPolarHBondContact O-CG2 3.32Å; W169-V173 PolarHBondContact O-N 3.08Å; V173-A175 PolarHBondContact O-N 3.17Å; V173-P179 HydrophobicContact CG1-CB 3.99Å; V173-P179 HydrophobicContact CG1-CG 3.73Å; V173-M181 HydrophobicContact CG2-CE 4.11Å; V173-K217 PolarHBondContact O-NZ 2.78Å
174	N	86.1	Confident	88.5	Confident	47 Å²	47	56.3 Å²	56.3	25%	0.251	29%	0.292	S	S	.	.			trans	-73.8	110.1	173.1	-167.7	-1.8	0	0	0	112.6	E176 T177 P179	N174-E176 VanDerWaalsContact C-N 3.26Å; N174-E176 PolarHBondContact O-N 3.16Å; N174-E176 WeakPolarHBondContact OD1-CB 3.29Å; N174-E176 PolarHBondContact OD1-N 2.9Å; N174-T177 HydrophobicContact CB-CG2 4.44Å; N174-T177 PolarHBondContact O-OG1 3.21Å; N174-P179 VanDerWaalsContact O-CD 3.31Å; N174-P179 WeakPolarHBondContact O-CD 3.49Å
175	A	82.9	Confident	87.7	Confident	54 Å²	54	63 Å²	63	45%	0.446	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-66.2	-24.4	175.8	0	0	0	0	0	113.7	F170 V173 T177 K178	F170-A175 HydrophobicContact CD1-CB 3.98Å; F170-A175 HydrophobicContact CE1-CB 4.48Å; V173-A175 PolarHBondContact O-N 3.17Å; A175-T177 VanDerWaalsContact C-N 3.33Å; A175-T177 PolarHBondContact O-N 2.84Å; A175-K178 PolarHBondContact O-N 3.18Å
176	E	81.9	Confident	86.5	Confident	174 Å²	174	62.9 Å²	62.9	81%	0.813	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-70	-28.8	-176.7	-59.6	-163.6	136.1	0	0	113	N174 K178	N174-E176 VanDerWaalsContact C-N 3.26Å; N174-E176 PolarHBondContact O-N 3.16Å; N174-E176 WeakPolarHBondContact OD1-CB 3.29Å; N174-E176 PolarHBondContact OD1-N 2.9Å; E176-K178 VanDerWaalsContact C-N 3.28Å; E176-K178 PolarHBondContact O-N 3.16Å
177	T	79.8	Confident	85	Confident	83 Å²	83	63.8 Å²	63.8	51%	0.509	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-80.6	-5.8	179.3	57	0	0	0	0	113.6	N174 A175	N174-T177 HydrophobicContact CB-CG2 4.44Å; N174-T177 PolarHBondContact O-OG1 3.21Å; A175-T177 VanDerWaalsContact C-N 3.33Å; A175-T177 PolarHBondContact O-N 2.84Å
178	K	82.6	Confident	82.9	Confident	182 Å²	182	71.3 Å²	71.3	79%	0.791	40%	0.402	S	S	*	.			trans	52.6	60.8	-175.9	-56.7	178.4	-178.3	176.2	0	113.4	A175 E176	A175-K178 PolarHBondContact O-N 3.18Å; E176-K178 VanDerWaalsContact C-N 3.28Å; E176-K178 PolarHBondContact O-N 3.16Å
179	P	86.1	Confident	81.4	Confident	28 Å²	28	71.1 Å²	71.1	18%	0.182	40%	0.403	C	S	.	.			trans	-58.6	150.5	177.4	27.5	-37.6	0	0	0	112.4	V173 N174 M181	V173-P179 HydrophobicContact CG1-CB 3.99Å; V173-P179 HydrophobicContact CG1-CG 3.73Å; N174-P179 VanDerWaalsContact O-CD 3.31Å; N174-P179 WeakPolarHBondContact O-CD 3.49Å; P179-M181 HydrophobicContact CB-CG 4.35Å; P179-M181 HydrophobicContact CB-SD 3.89Å; P179-M181 HydrophobicContact CG-CG 4.1Å; P179-M181 HydrophobicContact CG-SD 3.88Å; P179-M181 PolarHBondContact O-N 3.21Å
180	S	89.1	Confident	79.9	Confident	54 Å²	54	76.7 Å²	76.7	38%	0.378	44%	0.44	S	S	.	.			trans	-73	122	165.9	-57.9	0	0	0	0	109.4	F122 G153 V154	F122-S180 WeakPolarHBondContact CE1-O 3.42Å; G153-S180 VanDerWaalsContact CA-O 3.26Å; G153-S180 WeakPolarHBondContact CA-O 3.28Å; V154-S180 PolarHBondContact N-O 3.19Å
181	M	91.8	Very high	78.8	Confident	55 Å²	55	77.7 Å²	77.7	27%	0.271	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	113	-175.1	-58.3	-62	-74.2	0	0	110.1	V154 W169 V173 P179 L183	V154-M181 HydrophobicContact CB-CE 3.8Å; V154-M181 HydrophobicContact CB-SD 4.07Å; V154-M181 HydrophobicContact CG2-CE 3.91Å; V154-M181 HydrophobicContact CG2-SD 4.21Å; V154-M181 WeakPolarHBondContact O-CA 3.37Å; W169-M181 HydrophobicContact CB-CE 3.97Å; W169-M181 HydrophobicContact CG-CE 4.35Å; V173-M181 HydrophobicContact CG2-CE 4.11Å; P179-M181 HydrophobicContact CB-CG 4.35Å; P179-M181 HydrophobicContact CB-SD 3.89Å; P179-M181 HydrophobicContact CG-CG 4.1Å; P179-M181 HydrophobicContact CG-SD 3.88Å; P179-M181 PolarHBondContact O-N 3.21Å; M181-L183 HydrophobicContact CB-CG 4.47Å; M181-L183 HydrophobicContact CE-CD2 3.96Å
182	E	91	Very high	78	Confident	80 Å²	80	79.5 Å²	79.5	37%	0.374	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	92.6	169.9	-71.7	172.7	-142.1	0	0	106.7	F122 V154 K155 F156	F122-E182 HydrophobicContact CZ-CG 4.49Å; F122-E182 VanDerWaalsContact CZ-OE1 3.31Å; F122-E182 WeakPolarHBondContact CZ-OE1 3.3Å; V154-E182 PolarHBondContact O-N 3.12Å; K155-E182 CarbonylContact C-O 3.51Å; K155-E182 WeakPolarHBondContact CA-O 3.49Å; K155-E182 HydrophobicContact CB-CB 4.31Å; K155-E182 WeakPolarHBondContact CD-OE2 3.26Å; K155-E182 WeakPolarHBondContact CE-OE2 3.31Å; K155-E182 HydrophobicContact CG-CB 4.08Å; K155-E182 WeakPolarHBondContact CG-OE2 3.31Å; K155-E182 IonicContact NZ-OE2 3.73Å; F156-E182 PolarHBondContact N-O 2.91Å
183	L	87.5	Confident	77.6	Confident	77 Å²	77	85.1 Å²	85.1	40%	0.403	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-90	152.9	-172.8	-68.1	-177.1	0	0	0	112.2	W169 M181 V185	W169-L183 HydrophobicContact CD2-CD2 4.17Å; W169-L183 HydrophobicContact CG-CD2 3.84Å; M181-L183 HydrophobicContact CB-CG 4.47Å; M181-L183 HydrophobicContact CE-CD2 3.96Å; L183-V185 PolarHBondContact O-N 3.07Å
184	P	79.4	Confident	77.2	Confident	34 Å²	34	94.2 Å²	94.2	22%	0.221	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-65.3	133.6	177.9	28.1	-33.3	0	0	0	110.5	F156 V164 E165	F156-P184 HydrophobicContact CB-CB 4.03Å; F156-P184 HydrophobicContact CB-CG 4.32Å; F156-P184 HydrophobicContact CD2-CG 4.45Å; F156-P184 HydrophobicContact CG-CB 4.34Å; F156-P184 HydrophobicContact CG-CG 4.21Å; V164-P184 HydrophobicContact CG1-CG 4.28Å; E165-P184 HydrophobicContact CB-CG 4.42Å
185	V	71.1	Confident	77.4	Confident	140 Å²	140	93.2 Å²	93.2	85%	0.848	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-77.8	136.6	172.9	-177.8	0	0	0	0	108.8	L183 G187	L183-V185 PolarHBondContact O-N 3.07Å; V185-G187 PolarHBondContact O-N 3.13Å
186	A	63.8	Low	77.9	Confident	73 Å²	73	94.7 Å²	94.7	60%	0.603	53%	0.526	S	S	*	.			trans	-63.2	97.2	178	0	0	0	0	0	111.3	E165	E165-A186 HydrophobicContact CG-CB 4.27Å
187	G	57.6	Low	78.3	Confident	60 Å²	60	92 Å²	92	62%	0.619	53%	0.527	S	S	*	.			trans	-79.4	128.8	173.9	0	0	0	0	0	110.9	V185 N189	V185-G187 PolarHBondContact O-N 3.13Å; G187-N189 PolarHBondContact O-N 2.74Å
188	N	51.8	Low	78.8	Confident	169 Å²	169	91.6 Å²	91.6	90%	0.904	53%	0.527	S	S	*	.			trans	-71.6	65.7	171.1	-77.2	-24.6	0	0	0	111	P190	N188-P190 WeakPolarHBondContact O-CD 3.34Å
189	N	61.9	Low	79.2	Confident	52 Å²	52	83.4 Å²	83.4	28%	0.278	49%	0.492	S	S	.	.			trans	-86.3	109.1	173.3	179.4	10	0	0	0	109.4	G187 L191 C192	G187-N189 PolarHBondContact O-N 2.74Å; N189-L191 PolarHBondContact O-N 3.16Å; N189-L191 WeakPolarHBondContact OD1-CD1 3.38Å; N189-L191 PolarHBondContact OD1-N 3.5Å; N189-C192 PolarHBondContact O-N 2.98Å; N189-C192 VanDerWaalsContact O-N 3.11Å
190	P	61	Low	79.3	Confident	126 Å²	126	88.1 Å²	88.1	82%	0.818	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-5.6	-175.9	29	-35.5	0	0	0	114.2	N188	N188-P190 WeakPolarHBondContact O-CD 3.34Å
191	L	67.1	Low	79.1	Confident	141 Å²	141	91 Å²	91	74%	0.738	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.7	172.6	-69.2	94.8	0	0	0	113.9	N189 N193	N189-L191 PolarHBondContact O-N 3.16Å; N189-L191 WeakPolarHBondContact OD1-CD1 3.38Å; N189-L191 PolarHBondContact OD1-N 3.5Å; L191-N193 PolarHBondContact O-N 3.36Å
192	C	77.8	Confident	79	Confident	38 Å²	38	89.9 Å²	89.9	26%	0.257	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-78.2	116.2	-180	-68.5	0	0	0	0	112	C162 N189	C162-C192 VanDerWaalsContact CA-SG 3.56Å; C162-C192 HydrophobicContact CB-CB 3.7Å; C162-C192 WeakPolarHBondContact CB-SG 3.3Å; C162-C192 WeakPolarHBondContact SG-CA 3.46Å; C162-C192 WeakPolarHBondContact SG-CB 3.39Å; C162-C192 CovalentContact SG-SG 2.04Å; C162-C192 PolarHBondContact SG-SG 2.83Å; N189-C192 PolarHBondContact O-N 2.98Å; N189-C192 VanDerWaalsContact O-N 3.11Å
193	N	85.3	Confident	79.1	Confident	119 Å²	119	86.4 Å²	86.4	64%	0.636	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-69.8	148.4	172.4	-79.8	-43.8	0	0	0	111.5	N163 L191 P207	N163-N193 PolarHBondContact ND2-O 2.95Å; L191-N193 PolarHBondContact O-N 3.36Å; N193-P207 HydrophobicContact CB-CB 4.03Å; N193-P207 HydrophobicContact CB-CG 3.46Å; N193-P207 VanDerWaalsContact CB-CG 3.46Å
194	K	86.3	Confident	79.3	Confident	192 Å²	192	82.8 Å²	82.8	84%	0.835	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-77.9	151	-179.6	-65.8	-175.3	178.4	-178.1	0	112
195	C	89.3	Confident	79.9	Confident	26 Å²	26	81.2 Å²	81.2	18%	0.176	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-58	150.9	169.5	-62.3	0	0	0	0	111.9	C199 G202 C204	C195-C199 HydrophobicContact CB-CB 4.49Å; C195-G202 WeakPolarHBondContact CB-O 3.29Å; C195-G202 PolarHBondContact SG-O 3.45Å; C195-C204 WeakPolarHBondContact CA-SG 3.2Å; C195-C204 HydrophobicContact CB-CB 3.68Å; C195-C204 WeakPolarHBondContact CB-SG 3.21Å; C195-C204 WeakPolarHBondContact SG-CB 3.21Å; C195-C204 CovalentContact SG-SG 2.02Å; C195-C204 PolarHBondContact SG-SG 3.39Å
196	H	92.8	Very high	80.8	Confident	86 Å²	86	74.6 Å²	74.6	40%	0.398	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-67.5	150.3	178.2	-171.8	-106.6	0	0	0	111.9	S198 C199 G208 A209	H196-S198 PolarHBondContact ND1-N 2.75Å; H196-S198 PolarHBondContact ND1-OG 2.64Å; H196-S198 PolarHBondContact O-N 3.31Å; H196-S198 VanDerWaalsContact O-N 3.1Å; H196-C199 WeakPolarHBondContact O-CB 3.31Å; H196-C199 PolarHBondContact O-N 2.62Å; H196-C199 PolarHBondContact O-SG 2.93Å; H196-C199 VanDerWaalsContact O-SG 3.38Å; H196-G208 WeakPolarHBondContact CB-O 3.31Å; H196-A209 HydrophobicContact CB-CB 4.42Å
197	S	90.8	Very high	82	Confident	118 Å²	118	72.9 Å²	72.9	83%	0.825	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.5	-174.4	54.5	0	0	0	0	114.7
198	S	91.6	Very high	83.5	Confident	74 Å²	74	71.1 Å²	71.1	52%	0.517	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-12.3	172.3	63.1	0	0	0	0	114.1	H196 Y200	H196-S198 PolarHBondContact ND1-N 2.75Å; H196-S198 PolarHBondContact ND1-OG 2.64Å; H196-S198 PolarHBondContact O-N 3.31Å; H196-S198 VanDerWaalsContact O-N 3.1Å; S198-Y200 PolarHBondContact O-N 3.37Å
199	C	91	Very high	85.4	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.061	38%	0.378	C	S	.	.	S	Bend	trans	-73.4	125	-177.6	-57.2	0	0	0	0	110.6	C195 H196 N201 G202 S203 C212	C195-C199 HydrophobicContact CB-CB 4.49Å; H196-C199 WeakPolarHBondContact O-CB 3.31Å; H196-C199 PolarHBondContact O-N 2.62Å; H196-C199 PolarHBondContact O-SG 2.93Å; H196-C199 VanDerWaalsContact O-SG 3.38Å; C199-N201 PolarHBondContact O-N 2.69Å; C199-G202 PolarHBondContact O-N 2.83Å; C199-S203 WeakPolarHBondContact CB-O 3.33Å; C199-C212 WeakPolarHBondContact CA-SG 3.4Å; C199-C212 HydrophobicContact CB-CB 3.74Å; C199-C212 WeakPolarHBondContact CB-SG 3.27Å; C199-C212 WeakPolarHBondContact SG-CA 3.46Å; C199-C212 WeakPolarHBondContact SG-CB 3.42Å; C199-C212 CovalentContact SG-SG 2.04Å; C199-C212 PolarHBondContact SG-SG 3.06Å
200	Y	86.3	Confident	86.8	Confident	128 Å²	128	69.8 Å²	69.8	50%	0.502	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-58.6	129.7	-179.9	-176.7	-92.2	0	0	0	111	S198 G202 S203 L215	S198-Y200 PolarHBondContact O-N 3.37Å; Y200-G202 PolarHBondContact O-N 2.8Å; Y200-S203 WeakPolarHBondContact O-CB 3.49Å; Y200-S203 PolarHBondContact O-N 2.68Å; Y200-L215 HydrophobicContact CD1-CD1 3.35Å; Y200-L215 HydrophobicContact CE1-CD1 3.71Å; Y200-L215 HydrophobicContact CG-CD1 4.01Å
201	N	86.8	Confident	88.3	Confident	114 Å²	114	64.5 Å²	64.5	61%	0.61	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	51.5	15.3	-170.9	-69.2	-20.9	0	0	0	115.6	Q168 C199 S203	Q168-N201 PolarHBondContact NE2-ND2 3.33Å; Q168-N201 VanDerWaalsContact NE2-ND2 3.19Å; C199-N201 PolarHBondContact O-N 2.69Å; N201-S203 VanDerWaalsContact C-N 3.32Å
202	G	88.4	Confident	89.5	Confident	32 Å²	32	58.8 Å²	58.8	33%	0.33	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	73.5	17.5	-172.1	0	0	0	0	0	114.5	C195 C199 Y200	C195-G202 WeakPolarHBondContact CB-O 3.29Å; C195-G202 PolarHBondContact SG-O 3.45Å; C199-G202 PolarHBondContact O-N 2.83Å; Y200-G202 PolarHBondContact O-N 2.8Å
203	S	92.6	Very high	90.3	Very high	7 Å²	7	57.6 Å²	57.6	5%	0.049	32%	0.324	C	S	.	.			trans	-81.5	116	-179.7	-62.3	0	0	0	0	112.5	T166 Q168 C199 Y200 N201 Q213	T166-S203 VanDerWaalsContact O-CB 3.27Å; T166-S203 WeakPolarHBondContact O-CB 3.42Å; T166-S203 PolarHBondContact O-OG 2.9Å; T166-S203 WeakPolarHBondContact OG1-CA 3.26Å; Q168-S203 VanDerWaalsContact CG-OG 3.32Å; Q168-S203 WeakPolarHBondContact CG-OG 3.39Å; C199-S203 WeakPolarHBondContact CB-O 3.33Å; Y200-S203 WeakPolarHBondContact O-CB 3.49Å; Y200-S203 PolarHBondContact O-N 2.68Å; N201-S203 VanDerWaalsContact C-N 3.32Å; S203-Q213 PolarHBondContact O-N 2.73Å
204	C	93.4	Very high	90.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-145.9	158	176.6	78.2	0	0	0	0	112.7	N163 T166 I167 C195 A206 N211	N163-C204 CarbonylContact C-O 3.24Å; N163-C204 WeakPolarHBondContact CB-O 3.41Å; T166-C204 PolarHBondContact OG1-N 2.95Å; T166-C204 PolarHBondContact OG1-O 2.85Å; T166-C204 VanDerWaalsContact OG1-O 3.12Å; I167-C204 WeakPolarHBondContact CD1-O 3.4Å; C195-C204 WeakPolarHBondContact CA-SG 3.2Å; C195-C204 HydrophobicContact CB-CB 3.68Å; C195-C204 WeakPolarHBondContact CB-SG 3.21Å; C195-C204 WeakPolarHBondContact SG-CB 3.21Å; C195-C204 CovalentContact SG-SG 2.02Å; C195-C204 PolarHBondContact SG-SG 3.39Å; C204-A206 PolarHBondContact SG-O 3.48Å; C204-N211 CarbonylContact C-O 3.6Å; C204-N211 WeakPolarHBondContact CA-O 3.48Å; C204-N211 WeakPolarHBondContact CB-O 3.21Å
205	W	92.1	Very high	91	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	28%	0.282	C	S	.	.	S	Bend	trans	-86.6	-23.2	174.7	-68	100.9	0	0	0	113.3	L143 T144 V164 I167 W169 I172 N211	L143-W205 HydrophobicContact CB-CD2 3.94Å; L143-W205 HydrophobicContact CB-CE3 3.9Å; L143-W205 HydrophobicContact CB-CH2 3.75Å; L143-W205 HydrophobicContact CB-CZ2 3.77Å; L143-W205 HydrophobicContact CB-CZ3 3.82Å; L143-W205 HydrophobicContact CD1-CE3 4.46Å; L143-W205 HydrophobicContact CD1-CH2 3.96Å; L143-W205 HydrophobicContact CD1-CZ3 3.79Å; L143-W205 HydrophobicContact CG-CH2 4.5Å; L143-W205 HydrophobicContact CG-CZ3 4.33Å; L143-W205 VanDerWaalsContact O-CE2 3.27Å; L143-W205 PolarHBondContact O-NE1 3.28Å; L143-W205 VanDerWaalsContact O-NE1 3.08Å; T144-W205 HydrophobicContact CG2-CB 4.22Å; T144-W205 HydrophobicContact CG2-CG 4.39Å; V164-W205 HydrophobicContact CG1-CZ3 4.14Å; V164-W205 HydrophobicContact CG2-CE3 4.34Å; I167-W205 HydrophobicContact CD1-CD2 3.62Å; I167-W205 HydrophobicContact CD1-CE3 4.08Å; I167-W205 HydrophobicContact CD1-CG 3.91Å; I167-W205 HydrophobicContact CD1-CZ2 4.12Å; I167-W205 HydrophobicContact CD1-CZ3 4.48Å; I167-W205 HydrophobicContact CG1-CD2 4.06Å; I167-W205 HydrophobicContact CG1-CE3 3.99Å; I167-W205 HydrophobicContact CG1-CH2 4.21Å; I167-W205 HydrophobicContact CG1-CZ2 4.29Å; I167-W205 HydrophobicContact CG1-CZ3 4.05Å; I167-W205 HydrophobicContact CG2-CH2 4.12Å; I167-W205 HydrophobicContact CG2-CZ2 4.09Å; W169-W205 AromaticContact CH2-CH2 3.61Å; W169-W205 HydrophobicContact CH2-CH2 3.61Å; W169-W205 HydrophobicContact CH2-CZ3 4.01Å; W169-W205 HydrophobicContact CZ2-CH2 4.07Å; W169-W205 HydrophobicContact CZ2-CZ3 4.21Å; W169-W205 HydrophobicContact CZ3-CH2 4.17Å; I172-W205 HydrophobicContact CD1-CH2 4.26Å; I172-W205 HydrophobicContact CD1-CZ2 3.78Å; W205-N211 PolarHBondContact N-O 2.73Å
206	A	89.9	Confident	91.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	28%	0.276	C	S	.	.	S	Bend	trans	-164.1	170.3	178.8	0	0	0	0	0	109.4	L142 C204 N211	L142-A206 HydrophobicContact CD2-CB 3.35Å; C204-A206 PolarHBondContact SG-O 3.48Å; A206-N211 HydrophobicContact CB-CB 4.08Å; A206-N211 WeakPolarHBondContact O-CB 3.3Å
207	P	88.3	Confident	91.1	Very high	37 Å²	37	45.2 Å²	45.2	24%	0.24	27%	0.269	C	S	.	.	S	Bend	trans	-61.3	153.6	174.4	-19.7	33.5	0	0	0	112.2	N163 N193 N211	N163-P207 WeakPolarHBondContact OD1-CD 3.47Å; N193-P207 HydrophobicContact CB-CB 4.03Å; N193-P207 HydrophobicContact CB-CG 3.46Å; N193-P207 VanDerWaalsContact CB-CG 3.46Å; P207-N211 PolarHBondContact O-ND2 2.65Å
208	G	89.1	Confident	91.1	Very high	23 Å²	23	43.9 Å²	43.9	24%	0.237	25%	0.252	C	S	.	.	S	Bend	trans	110.8	168.4	-174.6	0	0	0	0	0	112.9	H196 E210	H196-G208 WeakPolarHBondContact CB-O 3.31Å; G208-E210 WeakPolarHBondContact CA-OE2 3.32Å
209	A	90.5	Very high	90.9	Very high	51 Å²	51	43.1 Å²	43.1	42%	0.421	24%	0.242	S	C	.	.	S	Bend	trans	-90.8	-30.1	179.8	0	0	0	0	0	111.7	H196 N211 C212	H196-A209 HydrophobicContact CB-CB 4.42Å; A209-N211 PolarHBondContact O-N 2.9Å; A209-C212 PolarHBondContact O-SG 3.49Å
210	E	91.3	Very high	91	Very high	143 Å²	143	44 Å²	44	67%	0.668	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.2	172.7	70.8	-78.4	-167	0	0	113.4	G208	G208-E210 WeakPolarHBondContact CA-OE2 3.32Å
211	N	92.8	Very high	91.1	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.08	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.9	-177.2	-66	-50.1	0	0	0	114	T144 C204 W205 A206 P207 A209	T144-N211 HydrophobicContact CG2-CB 4.29Å; T144-N211 WeakPolarHBondContact CG2-OD1 3.29Å; C204-N211 CarbonylContact C-O 3.6Å; C204-N211 WeakPolarHBondContact CA-O 3.48Å; C204-N211 WeakPolarHBondContact CB-O 3.21Å; W205-N211 PolarHBondContact N-O 2.73Å; A206-N211 HydrophobicContact CB-CB 4.08Å; A206-N211 WeakPolarHBondContact O-CB 3.3Å; P207-N211 PolarHBondContact O-ND2 2.65Å; A209-N211 PolarHBondContact O-N 2.9Å
212	C	93.7	Very high	91.1	Very high	21 Å²	21	43.1 Å²	43.1	14%	0.142	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-61.1	148.7	172.5	-61.3	0	0	0	0	111.7	C199 A209 T214	C199-C212 WeakPolarHBondContact CA-SG 3.4Å; C199-C212 HydrophobicContact CB-CB 3.74Å; C199-C212 WeakPolarHBondContact CB-SG 3.27Å; C199-C212 WeakPolarHBondContact SG-CA 3.46Å; C199-C212 WeakPolarHBondContact SG-CB 3.42Å; C199-C212 CovalentContact SG-SG 2.04Å; C199-C212 PolarHBondContact SG-SG 3.06Å; A209-C212 PolarHBondContact O-SG 3.49Å; C212-T214 PolarHBondContact O-N 2.84Å
213	Q	94.8	Very high	91.1	Very high	13 Å²	13	49 Å²	49	6%	0.061	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-69.4	124.2	175.3	-173.2	-174.5	-3.5	0	0	111	I167 Q168 S203 L215	I167-Q213 HydrophobicContact CD1-CB 4.13Å; I167-Q213 HydrophobicContact CD1-CG 4.39Å; Q168-Q213 PolarHBondContact O-NE2 2.78Å; S203-Q213 PolarHBondContact O-N 2.73Å; Q213-L215 HydrophobicContact CG-CD2 4.16Å
214	T	92.4	Very high	90.8	Very high	80 Å²	80	49.6 Å²	49.6	49%	0.491	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-76.8	122.5	168.8	-59.2	0	0	0	0	109.6	C212 T216	C212-T214 PolarHBondContact O-N 2.84Å; T214-T216 HydrophobicContact CG2-CG2 4.01Å
215	L	92.5	Very high	90.4	Very high	19 Å²	19	53.8 Å²	53.8	10%	0.099	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-100.9	123.1	177.8	-63	-179.7	0	0	0	110.8	Q168 D171 Y200 Q213 N219	Q168-L215 HydrophobicContact CB-CD2 4.29Å; D171-L215 HydrophobicContact CB-CD2 3.71Å; Y200-L215 HydrophobicContact CD1-CD1 3.35Å; Y200-L215 HydrophobicContact CE1-CD1 3.71Å; Y200-L215 HydrophobicContact CG-CD1 4.01Å; Q213-L215 HydrophobicContact CG-CD2 4.16Å; L215-N219 HydrophobicContact CB-CB 4.06Å
216	T	93.5	Very high	90	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.049	32%	0.321	C	S	.	.	S	Bend	trans	-122.5	7.9	-176.7	65.4	0	0	0	0	113.8	T147 D171 T214 C220 R227 C228 A243	T147-T216 HydrophobicContact CG2-CG2 3.91Å; D171-T216 PolarHBondContact OD1-N 2.89Å; D171-T216 PolarHBondContact OD2-N 3.34Å; T214-T216 HydrophobicContact CG2-CG2 4.01Å; T216-C220 VanDerWaalsContact C-SG 3.53Å; T216-C220 PolarHBondContact O-SG 2.85Å; T216-R227 CarbonylContact O-C 3.46Å; T216-R227 VanDerWaalsContact O-CA 3.22Å; T216-R227 WeakPolarHBondContact O-CA 3.3Å; T216-R227 WeakPolarHBondContact O-CD 3.34Å; T216-R227 WeakPolarHBondContact OG1-CD 3.32Å; T216-R227 PolarHBondContact OG1-NH1 2.03Å; T216-C228 WeakPolarHBondContact CB-O 3.14Å; T216-C228 PolarHBondContact O-N 2.86Å; T216-A243 PolarHBondContact OG1-O 3.05Å
217	K	91.6	Very high	90.2	Very high	56 Å²	56	58.8 Å²	58.8	24%	0.243	32%	0.321	C	S	.	.	S	Bend	trans	-142.4	-45.3	-175.4	-179.8	-171.7	-168	177.4	0	114	F170 D171 V173 N219 C220	F170-K217 PolarHBondContact O-NZ 2.94Å; D171-K217 WeakPolarHBondContact O-CD 3.01Å; D171-K217 PolarHBondContact O-NZ 2.87Å; D171-K217 PolarHBondContact OD1-N 2.93Å; V173-K217 PolarHBondContact O-NZ 2.78Å; K217-N219 VanDerWaalsContact C-N 3.34Å; K217-C220 WeakPolarHBondContact CA-SG 3.4Å
218	L	89.5	Confident	90.4	Very high	90 Å²	90	57 Å²	57	47%	0.471	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.8	178	-62.8	-178.2	0	0	0	112.4	Q168 D171	Q168-L218 HydrophobicContact CB-CD1 4.11Å; D171-L218 HydrophobicContact CB-CD1 3.89Å; D171-L218 HydrophobicContact CB-CG 3.85Å; D171-L218 WeakPolarHBondContact OD1-CB 3.41Å; D171-L218 PolarHBondContact OD1-N 2.03Å
219	N	89.1	Confident	90.6	Very high	57 Å²	57	61.2 Å²	61.2	31%	0.305	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	17.4	-179	-165.9	32.8	0	0	0	113.4	L215 K217 P231	L215-N219 HydrophobicContact CB-CB 4.06Å; K217-N219 VanDerWaalsContact C-N 3.34Å; N219-P231 VanDerWaalsContact O-CA 3.23Å; N219-P231 WeakPolarHBondContact O-CA 3.43Å
220	C	91.7	Very high	90.6	Very high	29 Å²	29	59.1 Å²	59.1	20%	0.196	31%	0.305	C	S	.	.	S	Bend	trans	-95.5	151.2	-172.9	-57.8	0	0	0	0	114.2	T216 K217 C224 C228	T216-C220 VanDerWaalsContact C-SG 3.53Å; T216-C220 PolarHBondContact O-SG 2.85Å; K217-C220 WeakPolarHBondContact CA-SG 3.4Å; C220-C224 HydrophobicContact CB-CB 4.34Å; C220-C228 WeakPolarHBondContact CA-SG 3.46Å; C220-C228 HydrophobicContact CB-CB 3.78Å; C220-C228 WeakPolarHBondContact CB-SG 3.11Å; C220-C228 WeakPolarHBondContact SG-CB 3.48Å; C220-C228 PolarHBondContact SG-N 3.24Å; C220-C228 VanDerWaalsContact SG-N 3.39Å; C220-C228 CovalentContact SG-SG 2.03Å; C220-C228 PolarHBondContact SG-SG 3.03Å
221	A	89.6	Confident	90.5	Very high	17 Å²	17	56.4 Å²	56.4	14%	0.14	30%	0.299	C	S	.	.			trans	-60.6	143.3	168.4	0	0	0	0	0	111.4	Q223 C224 P233	A221-Q223 PolarHBondContact O-N 2.94Å; A221-C224 PolarHBondContact O-N 3.28Å; A221-C224 PolarHBondContact O-SG 2.98Å; A221-P233 HydrophobicContact CB-CB 4.47Å; A221-P233 HydrophobicContact CB-CG 4Å
222	Q	86.3	Confident	90.3	Very high	206 Å²	206	57.8 Å²	57.8	96%	0.963	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-3.3	179.6	-62.5	-176.6	7.8	0	0	114.9
223	Q	87.7	Confident	90.1	Very high	154 Å²	154	60.1 Å²	60.1	72%	0.72	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-15	176.9	-61	178.2	10.3	0	0	112.6	A221	A221-Q223 PolarHBondContact O-N 2.94Å
224	C	88.1	Confident	89.9	Confident	21 Å²	21	63.5 Å²	63.5	14%	0.142	35%	0.35	C	S	.	.			trans	-73.1	136.1	179.7	-54.9	0	0	0	0	111.2	C220 A221 K226 C236	C220-C224 HydrophobicContact CB-CB 4.34Å; A221-C224 PolarHBondContact O-N 3.28Å; A221-C224 PolarHBondContact O-SG 2.98Å; C224-K226 PolarHBondContact O-N 3.15Å; C224-C236 WeakPolarHBondContact CA-SG 3.41Å; C224-C236 HydrophobicContact CB-CB 3.67Å; C224-C236 WeakPolarHBondContact CB-SG 3.49Å; C224-C236 WeakPolarHBondContact SG-CA 3.28Å; C224-C236 WeakPolarHBondContact SG-CB 3.44Å; C224-C236 CovalentContact SG-SG 2.04Å; C224-C236 PolarHBondContact SG-SG 2.78Å
225	S	83.8	Confident	89.9	Confident	87 Å²	87	61.3 Å²	61.3	61%	0.608	34%	0.336	S	S	*	.	S	Bend	trans	-66.3	-38	-176.8	-51.7	0	0	0	0	113.9
226	K	84.3	Confident	90	Very high	103 Å²	103	61.6 Å²	61.6	45%	0.448	34%	0.339	S	S	.	.	S	Bend	trans	-149.2	-58.8	-176.3	-65.9	-174.2	-179.8	174.6	0	114.1	C224	C224-K226 PolarHBondContact O-N 3.15Å
227	R	93.3	Very high	90.1	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.019	34%	0.339	C	S	.	.			trans	-127.1	160.8	-170.4	-67.3	-84.3	178.2	-164.6	-6.8	111.2	T147 E148 D171 T216 C237 A242	T147-R227 PolarHBondContact O-NH1 3.04Å; T147-R227 PolarHBondContact O-NH2 2.75Å; E148-R227 IonicContact OE1-NH2 2.73Å; E148-R227 PolarHBondContact OE1-NH2 3.2Å; E148-R227 IonicContact OE2-CZ 3.46Å; E148-R227 VanDerWaalsContact OE2-CZ 3.31Å; E148-R227 IonicContact OE2-NE 3.74Å; E148-R227 PolarHBondContact OE2-NE 2.99Å; E148-R227 IonicContact OE2-NH2 2.72Å; E148-R227 PolarHBondContact OE2-NH2 2.74Å; D171-R227 PolarHBondContact O-NH1 3.48Å; D171-R227 PolarHBondContact O-NH2 3.43Å; D171-R227 IonicContact OD2-NH1 2.4Å; D171-R227 PolarHBondContact OD2-NH1 2.9Å; T216-R227 CarbonylContact O-C 3.46Å; T216-R227 VanDerWaalsContact O-CA 3.22Å; T216-R227 WeakPolarHBondContact O-CA 3.3Å; T216-R227 WeakPolarHBondContact O-CD 3.34Å; T216-R227 WeakPolarHBondContact OG1-CD 3.32Å; T216-R227 PolarHBondContact OG1-NH1 2.03Å; R227-C237 HydrophobicContact CB-CB 4.19Å; R227-C237 WeakPolarHBondContact O-CB 3.31Å; R227-C237 PolarHBondContact O-N 3.48Å; R227-A242 VanDerWaalsContact CD-O 3.23Å; R227-A242 WeakPolarHBondContact CD-O 3.44Å; R227-A242 VanDerWaalsContact CG-O 3.28Å; R227-A242 WeakPolarHBondContact CG-O 3.25Å; R227-A242 PolarHBondContact NE-O 3.41Å
228	C	93.9	Very high	90.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-147.5	166.3	175.8	64.3	0	0	0	0	111.6	T216 C220 G230 D235 C237	T216-C228 WeakPolarHBondContact CB-O 3.14Å; T216-C228 PolarHBondContact O-N 2.86Å; C220-C228 WeakPolarHBondContact CA-SG 3.46Å; C220-C228 HydrophobicContact CB-CB 3.78Å; C220-C228 WeakPolarHBondContact CB-SG 3.11Å; C220-C228 WeakPolarHBondContact SG-CB 3.48Å; C220-C228 PolarHBondContact SG-N 3.24Å; C220-C228 VanDerWaalsContact SG-N 3.39Å; C220-C228 CovalentContact SG-SG 2.03Å; C220-C228 PolarHBondContact SG-SG 3.03Å; C228-G230 WeakPolarHBondContact CB-O 3.04Å; C228-G230 PolarHBondContact SG-O 3.48Å; C228-D235 CarbonylContact C-O 3.51Å; C228-D235 WeakPolarHBondContact CA-O 3.4Å; C228-D235 VanDerWaalsContact CB-O 3.29Å; C228-D235 WeakPolarHBondContact CB-O 3.41Å; C228-C237 VanDerWaalsContact CA-SG 3.54Å
229	K	93.2	Very high	90.3	Very high	110 Å²	110	61.4 Å²	61.4	48%	0.478	34%	0.338	S	S	.	.	S	Bend	trans	-96.4	-2.2	166.2	68.1	176.5	176.2	179.2	0	114	D235 T246	K229-D235 WeakPolarHBondContact CE-OD1 3.27Å; K229-D235 HydrophobicContact CG-CB 3.66Å; K229-D235 PolarHBondContact N-O 3.29Å; K229-T246 WeakPolarHBondContact CD-O 3.42Å; K229-T246 PolarHBondContact NZ-O 2.88Å
230	G	89.8	Confident	90.5	Very high	7 Å²	7	60.5 Å²	60.5	7%	0.072	33%	0.332	C	S	.	.	S	Bend	trans	177	176	-170.7	0	0	0	0	0	113	C228 S232 D235	C228-G230 WeakPolarHBondContact CB-O 3.04Å; C228-G230 PolarHBondContact SG-O 3.48Å; G230-S232 PolarHBondContact O-N 3.17Å; G230-D235 WeakPolarHBondContact CA-OD2 3.26Å; G230-D235 WeakPolarHBondContact O-CB 3.48Å
231	P	88.9	Confident	90.6	Very high	86 Å²	86	59.2 Å²	59.2	56%	0.558	32%	0.323	S	S	*	.	S	Bend	trans	-82.9	-6.1	-171.1	33.1	-36.5	0	0	0	115	N219	N219-P231 VanDerWaalsContact O-CA 3.23Å; N219-P231 WeakPolarHBondContact O-CA 3.43Å
232	S	89.6	Confident	90.7	Very high	44 Å²	44	58.4 Å²	58.4	31%	0.308	32%	0.317	S	S	.	.	S	Bend	trans	-79	148.8	177.4	-176.2	0	0	0	0	111.5	G230 S234 D235	G230-S232 PolarHBondContact O-N 3.17Å; S232-S234 VanDerWaalsContact CB-OG 3.24Å; S232-S234 WeakPolarHBondContact CB-OG 3.46Å; S232-S234 PolarHBondContact O-N 2.87Å; S232-S234 VanDerWaalsContact O-N 3.14Å; S232-S234 PolarHBondContact OG-N 3.12Å; S232-S234 PolarHBondContact OG-OG 3.01Å; S232-D235 WeakPolarHBondContact CB-OD2 3.06Å; S232-D235 PolarHBondContact N-OD2 2.93Å; S232-D235 VanDerWaalsContact N-OD2 3.13Å; S232-D235 WeakPolarHBondContact O-CB 3.39Å; S232-D235 PolarHBondContact O-N 2.96Å
233	P	89.4	Confident	90.9	Very high	70 Å²	70	48.6 Å²	48.6	46%	0.455	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.8	-21.9	164.8	-24.3	34.7	0	0	0	113.9	A221 D235 C236	A221-P233 HydrophobicContact CB-CB 4.47Å; A221-P233 HydrophobicContact CB-CG 4Å; P233-D235 PolarHBondContact O-N 2.87Å; P233-C236 PolarHBondContact O-SG 2.9Å; P233-C236 VanDerWaalsContact O-SG 3.33Å
234	S	90.4	Very high	91.2	Very high	85 Å²	85	41.3 Å²	41.3	59%	0.594	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-73.2	-12.6	171.9	61.2	0	0	0	0	114.3	S232	S232-S234 VanDerWaalsContact CB-OG 3.24Å; S232-S234 WeakPolarHBondContact CB-OG 3.46Å; S232-S234 PolarHBondContact O-N 2.87Å; S232-S234 VanDerWaalsContact O-N 3.14Å; S232-S234 PolarHBondContact OG-N 3.12Å; S232-S234 PolarHBondContact OG-OG 3.01Å
235	D	92.4	Very high	91.5	Very high	33 Å²	33	40.7 Å²	40.7	18%	0.176	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-100.9	2.3	-175.7	-59.2	-29.8	0	0	0	112.5	C228 K229 G230 S232 P233 C237	C228-D235 CarbonylContact C-O 3.51Å; C228-D235 WeakPolarHBondContact CA-O 3.4Å; C228-D235 VanDerWaalsContact CB-O 3.29Å; C228-D235 WeakPolarHBondContact CB-O 3.41Å; K229-D235 WeakPolarHBondContact CE-OD1 3.27Å; K229-D235 HydrophobicContact CG-CB 3.66Å; K229-D235 PolarHBondContact N-O 3.29Å; G230-D235 WeakPolarHBondContact CA-OD2 3.26Å; G230-D235 WeakPolarHBondContact O-CB 3.48Å; S232-D235 WeakPolarHBondContact CB-OD2 3.06Å; S232-D235 PolarHBondContact N-OD2 2.93Å; S232-D235 VanDerWaalsContact N-OD2 3.13Å; S232-D235 WeakPolarHBondContact O-CB 3.39Å; S232-D235 PolarHBondContact O-N 2.96Å; P233-D235 PolarHBondContact O-N 2.87Å; D235-C237 PolarHBondContact O-N 2.71Å
236	C	94	Very high	91.9	Very high	25 Å²	25	40.9 Å²	40.9	17%	0.169	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-63.2	131.1	175.2	-59.2	0	0	0	0	111	C224 P233	C224-C236 WeakPolarHBondContact CA-SG 3.41Å; C224-C236 HydrophobicContact CB-CB 3.67Å; C224-C236 WeakPolarHBondContact CB-SG 3.49Å; C224-C236 WeakPolarHBondContact SG-CA 3.28Å; C224-C236 WeakPolarHBondContact SG-CB 3.44Å; C224-C236 CovalentContact SG-SG 2.04Å; C224-C236 PolarHBondContact SG-SG 2.78Å; P233-C236 PolarHBondContact O-SG 2.9Å; P233-C236 VanDerWaalsContact O-SG 3.33Å
237	C	95.1	Very high	92.2	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.054	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-79.2	159.2	174.9	-60.1	0	0	0	0	111.8	R227 C228 D235 C241 C245	R227-C237 HydrophobicContact CB-CB 4.19Å; R227-C237 WeakPolarHBondContact O-CB 3.31Å; R227-C237 PolarHBondContact O-N 3.48Å; C228-C237 VanDerWaalsContact CA-SG 3.54Å; D235-C237 PolarHBondContact O-N 2.71Å; C237-C241 HydrophobicContact CB-CB 4.09Å; C237-C245 WeakPolarHBondContact CA-SG 3.34Å; C237-C245 HydrophobicContact CB-CB 3.67Å; C237-C245 WeakPolarHBondContact CB-SG 3.34Å; C237-C245 WeakPolarHBondContact SG-CB 3.35Å; C237-C245 PolarHBondContact SG-N 2.84Å; C237-C245 CovalentContact SG-SG 2.03Å; C237-C245 PolarHBondContact SG-SG 2.87Å
238	N	94.2	Very high	92.1	Very high	41 Å²	41	40.3 Å²	40.3	22%	0.219	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.9	148	167.2	-176.2	-86	0	0	0	111.4	H240 C241	N238-H240 VanDerWaalsContact C-N 3.27Å; N238-H240 PolarHBondContact O-N 2.8Å; N238-H240 WeakPolarHBondContact OD1-CB 3.5Å; N238-H240 PolarHBondContact OD1-CD2 3.42Å; N238-H240 PolarHBondContact OD1-N 2.93Å; N238-C241 VanDerWaalsContact O-CB 3.29Å; N238-C241 WeakPolarHBondContact O-CB 3.29Å; N238-C241 PolarHBondContact O-N 2.91Å; N238-C241 PolarHBondContact O-SG 3.44Å; N238-C241 VanDerWaalsContact O-SG 3.42Å
239	E	92.1	Very high	92.1	Very high	101 Å²	101	43.7 Å²	43.7	47%	0.472	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.4	-174.4	68.2	-174.5	130.9	0	0	114.9	C241 R257	E239-C241 VanDerWaalsContact C-N 3.3Å; E239-R257 PolarHBondContact O-NH1 2.03Å
240	H	92.9	Very high	91.9	Very high	38 Å²	38	39.3 Å²	39.3	18%	0.176	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.5	172.1	-47.2	-61.1	0	0	0	113	N238 R257 C265 D267	N238-H240 VanDerWaalsContact C-N 3.27Å; N238-H240 PolarHBondContact O-N 2.8Å; N238-H240 WeakPolarHBondContact OD1-CB 3.5Å; N238-H240 PolarHBondContact OD1-CD2 3.42Å; N238-H240 PolarHBondContact OD1-N 2.93Å; H240-R257 VanDerWaalsContact O-CB 3.22Å; H240-R257 WeakPolarHBondContact O-CB 3.27Å; H240-R257 PolarHBondContact O-N 2.87Å; H240-C265 HydrophobicContact CB-CB 3.64Å; H240-D267 VanDerWaalsContact CE1-CG 3.46Å; H240-D267 IonicContact CE1-OD1 2.67Å; H240-D267 PolarHBondContact CE1-OD1 2.79Å; H240-D267 VanDerWaalsContact CE1-OD1 3.28Å; H240-D267 IonicContact CE1-OD2 2.69Å; H240-D267 PolarHBondContact CE1-OD2 2.84Å; H240-D267 IonicContact CG-OD1 3.71Å; H240-D267 IonicContact ND1-OD1 3.21Å; H240-D267 PolarHBondContact ND1-OD1 2.82Å; H240-D267 IonicContact ND1-OD2 3.35Å
241	C	94	Very high	92	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-77.2	145.9	174.2	-56	0	0	0	0	112.2	C237 N238 E239 C253	C237-C241 HydrophobicContact CB-CB 4.09Å; N238-C241 VanDerWaalsContact O-CB 3.29Å; N238-C241 WeakPolarHBondContact O-CB 3.29Å; N238-C241 PolarHBondContact O-N 2.91Å; N238-C241 PolarHBondContact O-SG 3.44Å; N238-C241 VanDerWaalsContact O-SG 3.42Å; E239-C241 VanDerWaalsContact C-N 3.3Å; C241-C253 WeakPolarHBondContact CA-SG 3.47Å; C241-C253 HydrophobicContact CB-CB 3.69Å; C241-C253 WeakPolarHBondContact CB-SG 3.45Å; C241-C253 VanDerWaalsContact SG-CA 3.5Å; C241-C253 WeakPolarHBondContact SG-CB 3.41Å; C241-C253 CovalentContact SG-SG 2.04Å; C241-C253 PolarHBondContact SG-SG 2.9Å
242	A	91.6	Very high	92.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	25%	0.249	C	C	.	.	S	Bend	trans	-110.7	-66.5	179.4	0	0	0	0	0	113.1	I111 E148 R227 G244 A255 R257	I111-A242 HydrophobicContact CD1-CB 3.63Å; E148-A242 HydrophobicContact CG-CB 4.23Å; R227-A242 VanDerWaalsContact CD-O 3.23Å; R227-A242 WeakPolarHBondContact CD-O 3.44Å; R227-A242 VanDerWaalsContact CG-O 3.28Å; R227-A242 WeakPolarHBondContact CG-O 3.25Å; R227-A242 PolarHBondContact NE-O 3.41Å; A242-G244 VanDerWaalsContact C-N 3.29Å; A242-G244 PolarHBondContact O-N 3.44Å; A242-A255 WeakPolarHBondContact CB-O 3.17Å; A242-A255 PolarHBondContact N-O 3.39Å; A242-R257 HydrophobicContact CB-CB 4.25Å
243	A	90.9	Very high	92.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-72.1	-20.4	-177.6	0	0	0	0	0	113.9	R110 T147 T216 L254 A255	R110-A243 HydrophobicContact CB-CB 4.12Å; T147-A243 WeakPolarHBondContact CB-O 3.41Å; T147-A243 WeakPolarHBondContact OG1-CA 3.39Å; T147-A243 WeakPolarHBondContact OG1-CB 3.41Å; T147-A243 PolarHBondContact OG1-O 2.83Å; T216-A243 PolarHBondContact OG1-O 3.05Å; A243-L254 HydrophobicContact CB-CB 4.09Å; A243-A255 HydrophobicContact CB-CB 3.96Å
244	G	92.8	Very high	92.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	24%	0.235	C	C	.	.			trans	136	-163.5	-170.1	0	0	0	0	0	110.7	A242 L254	A242-G244 VanDerWaalsContact C-N 3.29Å; A242-G244 PolarHBondContact O-N 3.44Å; G244-L254 PolarHBondContact O-N 2.92Å
245	C	93.9	Very high	92.6	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.054	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-156.1	161.7	-175.1	60.9	0	0	0	0	112.7	C237 G247 D252	C237-C245 WeakPolarHBondContact CA-SG 3.34Å; C237-C245 HydrophobicContact CB-CB 3.67Å; C237-C245 WeakPolarHBondContact CB-SG 3.34Å; C237-C245 WeakPolarHBondContact SG-CB 3.35Å; C237-C245 PolarHBondContact SG-N 2.84Å; C237-C245 CovalentContact SG-SG 2.03Å; C237-C245 PolarHBondContact SG-SG 2.87Å; C245-G247 VanDerWaalsContact CB-O 3.24Å; C245-G247 WeakPolarHBondContact CB-O 3.44Å; C245-G247 PolarHBondContact SG-O 3.28Å; C245-D252 CarbonylContact C-O 3.5Å; C245-D252 WeakPolarHBondContact CA-O 3.38Å; C245-D252 WeakPolarHBondContact CB-O 3.44Å
246	T	93.7	Very high	92.6	Very high	91 Å²	91	33.4 Å²	33.4	56%	0.558	20%	0.203	S	C	*	.	S	Bend	trans	-90	-27.9	166.2	55.9	0	0	0	0	112	K229 D252 L254	K229-T246 WeakPolarHBondContact CD-O 3.42Å; K229-T246 PolarHBondContact NZ-O 2.88Å; T246-D252 PolarHBondContact N-O 2.88Å; T246-D252 PolarHBondContact OG1-O 2.98Å; T246-L254 HydrophobicContact CG2-CD2 4.14Å
247	G	90.9	Very high	92.5	Very high	8 Å²	8	34.3 Å²	34.3	8%	0.082	20%	0.203	C	C	.	.	S	Bend	trans	-150.4	-178.6	-174.4	0	0	0	0	0	112.9	C245 D252	C245-G247 VanDerWaalsContact CB-O 3.24Å; C245-G247 WeakPolarHBondContact CB-O 3.44Å; C245-G247 PolarHBondContact SG-O 3.28Å; G247-D252 VanDerWaalsContact C-OD2 3.26Å; G247-D252 WeakPolarHBondContact O-CB 3.5Å
248	P	90.9	Very high	92.3	Very high	88 Å²	88	36.6 Å²	36.6	57%	0.571	22%	0.215	S	C	*	.	S	Bend	trans	-87.1	-5.8	-168.8	35.2	-36.7	0	0	0	114.9
249	T	92.3	Very high	92.1	Very high	71 Å²	71	36.5 Å²	36.5	44%	0.436	21%	0.212	S	C	.	.	S	Bend	trans	-92.1	164.5	-175.4	79.5	0	0	0	0	112.5	A251 D252	T249-A251 PolarHBondContact O-N 3.47Å; T249-A251 PolarHBondContact OG1-N 2.84Å; T249-D252 WeakPolarHBondContact CA-OD2 3.38Å; T249-D252 VanDerWaalsContact CB-OD2 3.26Å; T249-D252 WeakPolarHBondContact CB-OD2 3.16Å; T249-D252 WeakPolarHBondContact CG2-OD2 3.26Å; T249-D252 PolarHBondContact N-OD2 3Å; T249-D252 PolarHBondContact O-N 3.46Å; T249-D252 VanDerWaalsContact O-N 3.13Å; T249-D252 PolarHBondContact OG1-OD2 3.48Å
250	A	90	Very high	92	Very high	18 Å²	18	35 Å²	35	15%	0.149	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.5	176.1	0	0	0	0	0	114.1	V264 C265	A250-V264 HydrophobicContact CB-CG1 3.83Å; A250-C265 PolarHBondContact O-N 3.12Å
251	A	92.3	Very high	91.9	Very high	58 Å²	58	33.7 Å²	33.7	48%	0.479	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.1	172.4	0	0	0	0	0	112.8	T249 C253 V264	T249-A251 PolarHBondContact O-N 3.47Å; T249-A251 PolarHBondContact OG1-N 2.84Å; A251-C253 VanDerWaalsContact C-N 3.33Å; A251-C253 PolarHBondContact O-N 3.36Å; A251-V264 HydrophobicContact CB-CG2 4.36Å
252	D	94	Very high	91.5	Very high	47 Å²	47	39.9 Å²	39.9	25%	0.251	23%	0.233	S	C	.	.	S	Bend	trans	-89.3	5	-175.2	-58.4	-48.4	0	0	0	113.5	C245 T246 G247 T249	C245-D252 CarbonylContact C-O 3.5Å; C245-D252 WeakPolarHBondContact CA-O 3.38Å; C245-D252 WeakPolarHBondContact CB-O 3.44Å; T246-D252 PolarHBondContact N-O 2.88Å; T246-D252 PolarHBondContact OG1-O 2.98Å; G247-D252 VanDerWaalsContact C-OD2 3.26Å; G247-D252 WeakPolarHBondContact O-CB 3.5Å; T249-D252 WeakPolarHBondContact CA-OD2 3.38Å; T249-D252 VanDerWaalsContact CB-OD2 3.26Å; T249-D252 WeakPolarHBondContact CB-OD2 3.16Å; T249-D252 WeakPolarHBondContact CG2-OD2 3.26Å; T249-D252 PolarHBondContact N-OD2 3Å; T249-D252 PolarHBondContact O-N 3.46Å; T249-D252 VanDerWaalsContact O-N 3.13Å; T249-D252 PolarHBondContact OG1-OD2 3.48Å
253	C	93.7	Very high	91.2	Very high	21 Å²	21	41.2 Å²	41.2	14%	0.142	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-72.8	138.4	-174.9	-59.5	0	0	0	0	112.5	C241 A251 A255 C265	C241-C253 WeakPolarHBondContact CA-SG 3.47Å; C241-C253 HydrophobicContact CB-CB 3.69Å; C241-C253 WeakPolarHBondContact CB-SG 3.45Å; C241-C253 VanDerWaalsContact SG-CA 3.5Å; C241-C253 WeakPolarHBondContact SG-CB 3.41Å; C241-C253 CovalentContact SG-SG 2.04Å; C241-C253 PolarHBondContact SG-SG 2.9Å; A251-C253 VanDerWaalsContact C-N 3.33Å; A251-C253 PolarHBondContact O-N 3.36Å; C253-A255 VanDerWaalsContact C-N 3.3Å; C253-A255 PolarHBondContact O-N 3.4Å; C253-C265 WeakPolarHBondContact CB-SG 3.36Å
254	L	91.8	Very high	91.3	Very high	62 Å²	62	44 Å²	44	33%	0.325	26%	0.264	S	S	.	.	S	Bend	trans	-71.1	-25.5	175.7	-66.4	176.4	0	0	0	113.4	R110 A243 G244 T246	R110-L254 WeakPolarHBondContact CD-O 3.37Å; R110-L254 PolarHBondContact NH1-O 3.49Å; A243-L254 HydrophobicContact CB-CB 4.09Å; G244-L254 PolarHBondContact O-N 2.92Å; T246-L254 HydrophobicContact CG2-CD2 4.14Å
255	A	91.5	Very high	91.3	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	26%	0.264	C	S	.	.	S	Bend	trans	-159.3	144.5	169.1	0	0	0	0	0	109	I111 A242 A243 C253	I111-A255 HydrophobicContact CD1-CB 4.44Å; I111-A255 HydrophobicContact CG2-CB 4.04Å; A242-A255 WeakPolarHBondContact CB-O 3.17Å; A242-A255 PolarHBondContact N-O 3.39Å; A243-A255 HydrophobicContact CB-CB 3.96Å; C253-A255 VanDerWaalsContact C-N 3.3Å; C253-A255 PolarHBondContact O-N 3.4Å
256	C	92.9	Very high	91.1	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.027	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-81.8	140.5	177.9	-59.7	0	0	0	0	112.3	R113 F259 Q260 C265	R113-C256 PolarHBondContact NH1-O 3.1Å; R113-C256 PolarHBondContact NH2-O 3.24Å; C256-F259 WeakPolarHBondContact CB-O 3.4Å; C256-Q260 HydrophobicContact CB-CB 4.22Å; C256-Q260 VanDerWaalsContact SG-CB 3.55Å; C256-C265 WeakPolarHBondContact CA-SG 3.11Å; C256-C265 HydrophobicContact CB-CB 3.66Å; C256-C265 WeakPolarHBondContact CB-SG 3.42Å; C256-C265 WeakPolarHBondContact SG-CA 3.35Å; C256-C265 WeakPolarHBondContact SG-CB 3.41Å; C256-C265 CovalentContact SG-SG 2.03Å; C256-C265 PolarHBondContact SG-SG 3.07Å
257	R	91.2	Very high	90.8	Very high	44 Å²	44	46 Å²	46	17%	0.166	27%	0.268	C	S	.	.	S	Bend	trans	-66.1	-52.3	-179.6	-167.1	-173.3	77.2	-148.8	0.6	112.4	R113 E239 H240 A242 D267	R113-R257 PolarHBondContact NH1-O 2.93Å; E239-R257 PolarHBondContact O-NH1 2.03Å; H240-R257 VanDerWaalsContact O-CB 3.22Å; H240-R257 WeakPolarHBondContact O-CB 3.27Å; H240-R257 PolarHBondContact O-N 2.87Å; A242-R257 HydrophobicContact CB-CB 4.25Å; R257-D267 IonicContact CZ-OD1 3.22Å; R257-D267 IonicContact NH1-OD1 2.77Å; R257-D267 IonicContact NH2-OD1 3.58Å; R257-D267 PolarHBondContact NH2-OD1 3.13Å
258	D	90.3	Very high	90.7	Very high	55 Å²	55	49.4 Å²	49.4	29%	0.294	29%	0.29	S	S	.	.	S	Bend	trans	-111.5	-69.6	-177.7	-50.6	-71.2	0	0	0	110.5	A294	D258-A294 WeakPolarHBondContact O-CB 3.5Å
259	F	90.3	Very high	90.5	Very high	39 Å²	39	45.7 Å²	45.7	17%	0.171	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.7	-179.9	-59.5	-82.4	0	0	0	114	C256 C265 K266 N291 A294	C256-F259 WeakPolarHBondContact CB-O 3.4Å; F259-C265 CarbonylContact O-C 3.52Å; F259-C265 WeakPolarHBondContact O-CA 3.29Å; F259-K266 PolarHBondContact N-O 2.82Å; F259-K266 PolarHBondContact O-N 2.93Å; F259-N291 HydrophobicContact CE1-CB 3.9Å; F259-A294 CarbonylContact C-O 3.12Å; F259-A294 WeakPolarHBondContact CA-O 3.42Å
260	Q	90.3	Very high	90.3	Very high	69 Å²	69	43.2 Å²	43.2	32%	0.322	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.1	168.5	-171.8	178.2	-35	0	0	110.3	C256 A294 T295 C296	C256-Q260 HydrophobicContact CB-CB 4.22Å; C256-Q260 VanDerWaalsContact SG-CB 3.55Å; Q260-A294 PolarHBondContact N-O 2.81Å; Q260-T295 WeakPolarHBondContact O-CA 3.47Å; Q260-C296 PolarHBondContact O-N 2.87Å
261	D	90.1	Very high	90.1	Very high	11 Å²	11	44 Å²	44	6%	0.059	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	105.6	-178.3	-170.8	27.1	0	0	0	109.7	G263 V264 K266 K289 C296	D261-G263 PolarHBondContact O-N 2.89Å; D261-V264 PolarHBondContact N-O 2.92Å; D261-V264 PolarHBondContact O-N 2.9Å; D261-K266 HydrophobicContact CB-CD 3.86Å; D261-K266 HydrophobicContact CB-CG 4.32Å; D261-K266 VanDerWaalsContact OD2-CE 3.27Å; D261-K266 WeakPolarHBondContact OD2-CE 3.33Å; D261-K266 IonicContact OD2-NZ 3.64Å; D261-K266 PolarHBondContact OD2-NZ 3.08Å; D261-K289 VanDerWaalsContact OD1-CD 3.3Å; D261-K289 WeakPolarHBondContact OD1-CD 3.24Å; D261-K289 WeakPolarHBondContact OD1-CE 3.05Å; D261-K289 IonicContact OD1-NZ 2.68Å; D261-K289 PolarHBondContact OD1-NZ 2.63Å; D261-C296 HydrophobicContact CB-CB 4.12Å
262	D	87	Confident	89.7	Confident	133 Å²	133	43.7 Å²	43.7	71%	0.711	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	29.8	-175.4	-58.2	-15.7	0	0	0	114.9	K289	D262-K289 IonicContact OD1-NZ 2.77Å; D262-K289 PolarHBondContact OD1-NZ 2.99Å; D262-K289 IonicContact OD2-NZ 3.83Å; D262-K289 PolarHBondContact OD2-NZ 3.41Å
263	G	85.4	Confident	89.3	Confident	29 Å²	29	45.5 Å²	45.5	30%	0.299	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.4	-7.6	-178.9	0	0	0	0	0	115.1	D261	D261-G263 PolarHBondContact O-N 2.89Å
264	V	91.6	Very high	88.9	Confident	58 Å²	58	46.6 Å²	46.6	35%	0.352	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132	176.6	-172	0	0	0	0	110	A250 A251 D261	A250-V264 HydrophobicContact CB-CG1 3.83Å; A251-V264 HydrophobicContact CB-CG2 4.36Å; D261-V264 PolarHBondContact N-O 2.92Å; D261-V264 PolarHBondContact O-N 2.9Å
265	C	92.8	Very high	88.6	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133	175	-57.8	0	0	0	0	111.8	H240 A250 C253 C256 F259	H240-C265 HydrophobicContact CB-CB 3.64Å; A250-C265 PolarHBondContact O-N 3.12Å; C253-C265 WeakPolarHBondContact CB-SG 3.36Å; C256-C265 WeakPolarHBondContact CA-SG 3.11Å; C256-C265 HydrophobicContact CB-CB 3.66Å; C256-C265 WeakPolarHBondContact CB-SG 3.42Å; C256-C265 WeakPolarHBondContact SG-CA 3.35Å; C256-C265 WeakPolarHBondContact SG-CB 3.41Å; C256-C265 CovalentContact SG-SG 2.03Å; C256-C265 PolarHBondContact SG-SG 3.07Å; F259-C265 CarbonylContact O-C 3.52Å; F259-C265 WeakPolarHBondContact O-CA 3.29Å
266	K	90.6	Very high	88.4	Confident	59 Å²	59	45.1 Å²	45.1	26%	0.257	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.9	178.8	-64.1	-174.8	178	178.7	0	110.8	F259 D261 S268	F259-K266 PolarHBondContact N-O 2.82Å; F259-K266 PolarHBondContact O-N 2.93Å; D261-K266 HydrophobicContact CB-CD 3.86Å; D261-K266 HydrophobicContact CB-CG 4.32Å; D261-K266 VanDerWaalsContact OD2-CE 3.27Å; D261-K266 WeakPolarHBondContact OD2-CE 3.33Å; D261-K266 IonicContact OD2-NZ 3.64Å; D261-K266 PolarHBondContact OD2-NZ 3.08Å; K266-S268 VanDerWaalsContact C-N 3.27Å; K266-S268 WeakPolarHBondContact CB-O 3.3Å; K266-S268 PolarHBondContact O-N 2.89Å
267	D	87.6	Confident	88	Confident	80 Å²	80	46.8 Å²	46.8	43%	0.428	26%	0.261	S	S	.	.	S	Bend	trans	-72.1	-20.5	173.3	-67.6	-22.8	0	0	0	112.7	H240 R257	H240-D267 VanDerWaalsContact CE1-CG 3.46Å; H240-D267 IonicContact CE1-OD1 2.67Å; H240-D267 PolarHBondContact CE1-OD1 2.79Å; H240-D267 VanDerWaalsContact CE1-OD1 3.28Å; H240-D267 IonicContact CE1-OD2 2.69Å; H240-D267 PolarHBondContact CE1-OD2 2.84Å; H240-D267 IonicContact CG-OD1 3.71Å; H240-D267 IonicContact ND1-OD1 3.21Å; H240-D267 PolarHBondContact ND1-OD1 2.82Å; H240-D267 IonicContact ND1-OD2 3.35Å; R257-D267 IonicContact CZ-OD1 3.22Å; R257-D267 IonicContact NH1-OD1 2.77Å; R257-D267 IonicContact NH2-OD1 3.58Å; R257-D267 PolarHBondContact NH2-OD1 3.13Å
268	S	87.4	Confident	87.7	Confident	78 Å²	78	51 Å²	51	55%	0.545	29%	0.287	S	S	.	.	S	Bend	trans	-155.4	155.6	176.7	57.4	0	0	0	0	111.8	K266	K266-S268 VanDerWaalsContact C-N 3.27Å; K266-S268 WeakPolarHBondContact CB-O 3.3Å; K266-S268 PolarHBondContact O-N 2.89Å
269	C	88	Confident	87.5	Confident	11 Å²	11	53 Å²	53	7%	0.074	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-75.7	154.8	171	-61.4	0	0	0	0	111.9	G271 N291 C296	C269-G271 PolarHBondContact O-N 2.82Å; C269-G271 VanDerWaalsContact O-N 3.14Å; C269-N291 VanDerWaalsContact CB-OD1 3.27Å; C269-N291 WeakPolarHBondContact CB-OD1 3.4Å; C269-N291 PolarHBondContact SG-OD1 2.8Å; C269-N291 VanDerWaalsContact SG-OD1 3.34Å; C269-C296 WeakPolarHBondContact CA-SG 3.4Å; C269-C296 HydrophobicContact CB-CB 3.74Å; C269-C296 WeakPolarHBondContact CB-SG 3.43Å; C269-C296 WeakPolarHBondContact SG-CA 3.36Å; C269-C296 WeakPolarHBondContact SG-CB 3.26Å; C269-C296 CovalentContact SG-SG 2.03Å; C269-C296 PolarHBondContact SG-SG 2.8Å
270	P	87.9	Confident	87.2	Confident	18 Å²	18	53.6 Å²	53.6	12%	0.117	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-53.2	117	173.2	-28	35.8	0	0	0	112.3	Q287 G288 K289	P270-Q287 VanDerWaalsContact CB-O 3.29Å; P270-Q287 WeakPolarHBondContact CB-O 3.44Å; P270-G288 WeakPolarHBondContact O-CA 3.49Å; P270-K289 PolarHBondContact O-N 2.86Å
271	G	85.1	Confident	86.8	Confident	35 Å²	35	54.4 Å²	54.4	36%	0.361	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-61.2	139.2	-174.1	0	0	0	0	0	113.2	C269 M273 N285	C269-G271 PolarHBondContact O-N 2.82Å; C269-G271 VanDerWaalsContact O-N 3.14Å; G271-M273 PolarHBondContact O-N 3.34Å; G271-N285 WeakPolarHBondContact O-CB 3.48Å; G271-N285 PolarHBondContact O-ND2 3.27Å
272	L	84.8	Confident	86.5	Confident	51 Å²	51	59.1 Å²	59.1	27%	0.267	33%	0.329	S	S	.	.	S	Bend	trans	-62.6	-24.2	-178.4	-61.2	176.3	0	0	0	114	N285 Y290	L272-N285 PolarHBondContact O-N 2.78Å; L272-Y290 HydrophobicContact CD1-CD1 3.74Å; L272-Y290 HydrophobicContact CD1-CE1 3.42Å; L272-Y290 VanDerWaalsContact CD1-CE1 3.42Å; L272-Y290 HydrophobicContact CD2-CD1 4.01Å; L272-Y290 HydrophobicContact CD2-CD2 4.33Å; L272-Y290 HydrophobicContact CD2-CE1 3.84Å; L272-Y290 HydrophobicContact CD2-CE2 4.18Å; L272-Y290 HydrophobicContact CD2-CG 4.25Å; L272-Y290 HydrophobicContact CG-CD1 4.46Å; L272-Y290 HydrophobicContact CG-CE1 4.29Å
273	M	84.5	Confident	86.4	Confident	86 Å²	86	54.1 Å²	54.1	42%	0.424	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.2	177.3	-57.6	-63	-72.8	0	0	109.5	G271 L282 V283 P284	G271-M273 PolarHBondContact O-N 3.34Å; M273-L282 HydrophobicContact CB-CB 4.29Å; M273-L282 HydrophobicContact CB-CD2 4.44Å; M273-L282 HydrophobicContact CE-CB 4.07Å; M273-L282 VanDerWaalsContact CE-O 3.27Å; M273-L282 WeakPolarHBondContact CE-O 3.31Å; M273-V283 CarbonylContact C-O 3.56Å; M273-V283 WeakPolarHBondContact CA-O 3.37Å; M273-V283 VanDerWaalsContact CE-C 3.49Å; M273-P284 HydrophobicContact CE-CG 4.49Å; M273-P284 HydrophobicContact SD-CB 4.49Å; M273-P284 HydrophobicContact SD-CG 4.36Å
274	R	86.4	Confident	86.4	Confident	43 Å²	43	57.4 Å²	57.4	16%	0.162	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.3	172.9	66.2	-177.7	-161	155.5	16.1	109.6	L282 V283 N285 P604 G605 E606	R274-L282 CarbonylContact O-C 3.2Å; R274-L282 WeakPolarHBondContact O-CA 3.34Å; R274-V283 HydrophobicContact CG-CG2 3.65Å; R274-V283 PolarHBondContact N-O 2.98Å; R274-V283 PolarHBondContact O-N 3.48Å; R274-V283 VanDerWaalsContact O-O 3.14Å; R274-N285 HydrophobicContact CB-CB 4.19Å; R274-N285 HydrophobicContact CG-CB 4.23Å; R274-P604 CarbonylContact C-O 3.58Å; R274-P604 WeakPolarHBondContact CA-O 3.41Å; R274-G605 WeakPolarHBondContact CB-O 3.4Å; R274-E606 IonicContact CZ-OE1 3.68Å; R274-E606 IonicContact NH1-OE1 3.89Å; R274-E606 PolarHBondContact NH1-OE1 3.09Å; R274-E606 IonicContact NH2-OE1 2.7Å; R274-E606 PolarHBondContact NH2-OE1 2.93Å
275	Y	86	Confident	86.2	Confident	14 Å²	14	56.1 Å²	56.1	6%	0.055	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.7	174.5	179	-88.1	0	0	0	109.9	P277 Q281 D591 P600 V603 P604 V611 K613	Y275-P277 HydrophobicContact CD1-CG 4.4Å; Y275-P277 HydrophobicContact CE1-CB 4.4Å; Y275-P277 WeakPolarHBondContact O-CD 3.45Å; Y275-Q281 WeakPolarHBondContact CA-O 3.48Å; Y275-D591 VanDerWaalsContact OH-CG 3.24Å; Y275-D591 PolarHBondContact OH-OD1 2.83Å; Y275-D591 PolarHBondContact OH-OD2 2.87Å; Y275-P600 HydrophobicContact CE2-CG 3.83Å; Y275-V603 HydrophobicContact CD1-CG2 4.24Å; Y275-V603 HydrophobicContact CD2-CG2 4.44Å; Y275-V603 HydrophobicContact CG-CG2 3.87Å; Y275-P604 PolarHBondContact N-O 3.16Å; Y275-V611 HydrophobicContact CD1-CB 4.26Å; Y275-V611 HydrophobicContact CD1-CG1 3.93Å; Y275-V611 HydrophobicContact CD1-CG2 4.23Å; Y275-V611 HydrophobicContact CE1-CG1 4.03Å; Y275-K613 VanDerWaalsContact OH-CE 3.23Å; Y275-K613 WeakPolarHBondContact OH-CE 3.39Å; Y275-K613 PolarHBondContact OH-NZ 3.18Å; Y275-K613 VanDerWaalsContact OH-NZ 3.07Å
276	D	86.3	Confident	85.8	Confident	27 Å²	27	61.4 Å²	61.4	14%	0.144	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.2	173.1	-172.2	-53.2	0	0	0	109.8	N278 L279 H280 Q281 V283	D276-N278 PolarHBondContact O-N 3.14Å; D276-N278 WeakPolarHBondContact OD1-CA 3.46Å; D276-N278 VanDerWaalsContact OD1-CB 3.3Å; D276-N278 WeakPolarHBondContact OD1-CB 3.44Å; D276-N278 PolarHBondContact OD1-N 2.84Å; D276-N278 PolarHBondContact OD1-ND2 2.98Å; D276-L279 HydrophobicContact CB-CB 4.1Å; D276-L279 HydrophobicContact CB-CD1 4.41Å; D276-L279 HydrophobicContact CB-CG 4.43Å; D276-L279 PolarHBondContact O-N 3.44Å; D276-L279 PolarHBondContact OD1-N 3.23Å; D276-L279 VanDerWaalsContact OD1-N 3.08Å; D276-H280 PolarHBondContact O-N 3.26Å; D276-Q281 PolarHBondContact N-O 2.87Å; D276-V283 HydrophobicContact CB-CG1 3.92Å; D276-V283 HydrophobicContact CB-CG2 3.99Å
277	P	84.1	Confident	85.6	Confident	38 Å²	38	64.3 Å²	64.3	25%	0.247	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.2	-177.2	-22	35.2	0	0	0	115.5	Y275 H280 V611 L623	Y275-P277 HydrophobicContact CD1-CG 4.4Å; Y275-P277 HydrophobicContact CE1-CB 4.4Å; Y275-P277 WeakPolarHBondContact O-CD 3.45Å; P277-H280 PolarHBondContact O-CE1 3.45Å; P277-H280 PolarHBondContact O-ND1 2.98Å; P277-V611 HydrophobicContact CG-CG1 4.45Å; P277-V611 HydrophobicContact CG-CG2 4.15Å; P277-L623 HydrophobicContact CB-CD1 3.9Å; P277-L623 HydrophobicContact CB-CD2 4.08Å
278	N	85.6	Confident	85.6	Confident	133 Å²	133	61.2 Å²	61.2	71%	0.711	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-46.4	178.4	-43.2	-82.6	0	0	0	109.9	D276 H280	D276-N278 PolarHBondContact O-N 3.14Å; D276-N278 WeakPolarHBondContact OD1-CA 3.46Å; D276-N278 VanDerWaalsContact OD1-CB 3.3Å; D276-N278 WeakPolarHBondContact OD1-CB 3.44Å; D276-N278 PolarHBondContact OD1-N 2.84Å; D276-N278 PolarHBondContact OD1-ND2 2.98Å; N278-H280 VanDerWaalsContact C-N 3.3Å; N278-H280 PolarHBondContact O-N 3.01Å; N278-H280 PolarHBondContact O-ND1 2.9Å
279	L	85.4	Confident	85.7	Confident	98 Å²	98	58.1 Å²	58.1	51%	0.513	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.7	-179.6	-59.8	175.3	0	0	0	113.6	D276 Q281 V283	D276-L279 HydrophobicContact CB-CB 4.1Å; D276-L279 HydrophobicContact CB-CD1 4.41Å; D276-L279 HydrophobicContact CB-CG 4.43Å; D276-L279 PolarHBondContact O-N 3.44Å; D276-L279 PolarHBondContact OD1-N 3.23Å; D276-L279 VanDerWaalsContact OD1-N 3.08Å; L279-Q281 WeakPolarHBondContact O-CG 3.45Å; L279-Q281 PolarHBondContact O-N 3.44Å; L279-Q281 PolarHBondContact O-NE2 2.96Å; L279-V283 HydrophobicContact CD1-CG1 4Å
280	H	83.9	Confident	85.7	Confident	50 Å²	50	59.8 Å²	59.8	23%	0.231	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	31.3	179	-66.2	67.2	0	0	0	113.1	D276 P277 N278 D591 G592 K613	D276-H280 PolarHBondContact O-N 3.26Å; P277-H280 PolarHBondContact O-CE1 3.45Å; P277-H280 PolarHBondContact O-ND1 2.98Å; N278-H280 VanDerWaalsContact C-N 3.3Å; N278-H280 PolarHBondContact O-N 3.01Å; N278-H280 PolarHBondContact O-ND1 2.9Å; H280-D591 IonicContact CD2-OD1 3.2Å; H280-D591 PolarHBondContact CD2-OD1 2.89Å; H280-G592 WeakPolarHBondContact CD2-CA 3.44Å; H280-G592 PolarHBondContact CD2-N 3.27Å; H280-K613 PolarHBondContact CD2-NZ 2.97Å; H280-K613 PolarHBondContact NE2-NZ 3.26Å
281	Q	83.3	Confident	85.8	Confident	87 Å²	87	61 Å²	61	41%	0.407	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160	-168.7	-79.4	169.8	87.9	0	0	111.4	Y275 D276 L279 Y594	Y275-Q281 WeakPolarHBondContact CA-O 3.48Å; D276-Q281 PolarHBondContact N-O 2.87Å; L279-Q281 WeakPolarHBondContact O-CG 3.45Å; L279-Q281 PolarHBondContact O-N 3.44Å; L279-Q281 PolarHBondContact O-NE2 2.96Å; Q281-Y594 VanDerWaalsContact CD-OH 3.25Å; Q281-Y594 HydrophobicContact CG-CD2 4.43Å; Q281-Y594 HydrophobicContact CG-CE2 3.65Å; Q281-Y594 PolarHBondContact NE2-OH 2.94Å; Q281-Y594 PolarHBondContact OE1-OH 3.21Å
282	L	82	Confident	85.8	Confident	110 Å²	110	60.5 Å²	60.5	58%	0.576	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.9	166.7	-69.9	172.4	0	0	0	109.5	M273 R274	M273-L282 HydrophobicContact CB-CB 4.29Å; M273-L282 HydrophobicContact CB-CD2 4.44Å; M273-L282 HydrophobicContact CE-CB 4.07Å; M273-L282 VanDerWaalsContact CE-O 3.27Å; M273-L282 WeakPolarHBondContact CE-O 3.31Å; R274-L282 CarbonylContact O-C 3.2Å; R274-L282 WeakPolarHBondContact O-CA 3.34Å
283	V	86.3	Confident	85.6	Confident	28 Å²	28	60.2 Å²	60.2	17%	0.17	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	156.5	174	-57.3	0	0	0	0	110.3	M273 R274 D276 L279 N285	M273-V283 CarbonylContact C-O 3.56Å; M273-V283 WeakPolarHBondContact CA-O 3.37Å; M273-V283 VanDerWaalsContact CE-C 3.49Å; R274-V283 HydrophobicContact CG-CG2 3.65Å; R274-V283 PolarHBondContact N-O 2.98Å; R274-V283 PolarHBondContact O-N 3.48Å; R274-V283 VanDerWaalsContact O-O 3.14Å; D276-V283 HydrophobicContact CB-CG1 3.92Å; D276-V283 HydrophobicContact CB-CG2 3.99Å; L279-V283 HydrophobicContact CD1-CG1 4Å; V283-N285 PolarHBondContact O-N 2.85Å
284	P	85.9	Confident	85.5	Confident	98 Å²	98	56.6 Å²	56.6	64%	0.636	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	138.6	173.9	-25.7	35.7	0	0	0	112.2	M273	M273-P284 HydrophobicContact CE-CG 4.49Å; M273-P284 HydrophobicContact SD-CB 4.49Å; M273-P284 HydrophobicContact SD-CG 4.36Å
285	N	86.1	Confident	85.6	Confident	30 Å²	30	56.3 Å²	56.3	16%	0.16	32%	0.317	C	S	.	.			trans	-93.7	117.9	177.3	-179	9.3	0	0	0	110.7	G271 L272 R274 V283 Q287 G288	G271-N285 WeakPolarHBondContact O-CB 3.48Å; G271-N285 PolarHBondContact O-ND2 3.27Å; L272-N285 PolarHBondContact O-N 2.78Å; R274-N285 HydrophobicContact CB-CB 4.19Å; R274-N285 HydrophobicContact CG-CB 4.23Å; V283-N285 PolarHBondContact O-N 2.85Å; N285-Q287 PolarHBondContact O-N 2.85Å; N285-Q287 VanDerWaalsContact O-N 3.13Å; N285-Q287 PolarHBondContact OD1-N 3.11Å; N285-G288 PolarHBondContact O-N 3.06Å
286	P	85.8	Confident	85.8	Confident	115 Å²	115	56 Å²	56	75%	0.747	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.1	176.7	-23.4	34.8	0	0	0	114.8
287	Q	85.3	Confident	85.8	Confident	121 Å²	121	56.4 Å²	56.4	57%	0.565	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	2.5	174.7	-67.1	-177.8	-19.9	0	0	113.1	P270 N285	P270-Q287 VanDerWaalsContact CB-O 3.29Å; P270-Q287 WeakPolarHBondContact CB-O 3.44Å; N285-Q287 PolarHBondContact O-N 2.85Å; N285-Q287 VanDerWaalsContact O-N 3.13Å; N285-Q287 PolarHBondContact OD1-N 3.11Å
288	G	86.6	Confident	85.9	Confident	15 Å²	15	61.9 Å²	61.9	16%	0.155	34%	0.341	C	S	.	.			trans	-58.9	141.3	-179	0	0	0	0	0	112.6	P270 N285	P270-G288 WeakPolarHBondContact O-CA 3.49Å; N285-G288 PolarHBondContact O-N 3.06Å
289	K	90.1	Very high	85.9	Confident	12 Å²	12	61.8 Å²	61.8	5%	0.052	34%	0.34	C	S	.	.			trans	-132.5	151.5	175.5	-67.6	-175.3	-176	178.3	0	110.5	D261 D262 P270 C296 V297 K298	D261-K289 VanDerWaalsContact OD1-CD 3.3Å; D261-K289 WeakPolarHBondContact OD1-CD 3.24Å; D261-K289 WeakPolarHBondContact OD1-CE 3.05Å; D261-K289 IonicContact OD1-NZ 2.68Å; D261-K289 PolarHBondContact OD1-NZ 2.63Å; D262-K289 IonicContact OD1-NZ 2.77Å; D262-K289 PolarHBondContact OD1-NZ 2.99Å; D262-K289 IonicContact OD2-NZ 3.83Å; D262-K289 PolarHBondContact OD2-NZ 3.41Å; P270-K289 PolarHBondContact O-N 2.86Å; K289-C296 HydrophobicContact CB-CB 4.07Å; K289-C296 HydrophobicContact CD-CB 3.77Å; K289-V297 CarbonylContact C-O 3.59Å; K289-V297 WeakPolarHBondContact CA-O 3.34Å; K289-V297 WeakPolarHBondContact CB-O 3.36Å; K289-K298 HydrophobicContact CG-CG 4.25Å
290	Y	89.2	Confident	85.7	Confident	46 Å²	46	58.5 Å²	58.5	18%	0.18	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	149.5	173.7	-58.9	-85.7	0	0	0	111.2	L272 V297 K298 V306 G310 C312	L272-Y290 HydrophobicContact CD1-CD1 3.74Å; L272-Y290 HydrophobicContact CD1-CE1 3.42Å; L272-Y290 VanDerWaalsContact CD1-CE1 3.42Å; L272-Y290 HydrophobicContact CD2-CD1 4.01Å; L272-Y290 HydrophobicContact CD2-CD2 4.33Å; L272-Y290 HydrophobicContact CD2-CE1 3.84Å; L272-Y290 HydrophobicContact CD2-CE2 4.18Å; L272-Y290 HydrophobicContact CD2-CG 4.25Å; L272-Y290 HydrophobicContact CG-CD1 4.46Å; L272-Y290 HydrophobicContact CG-CE1 4.29Å; Y290-V297 PolarHBondContact N-O 2.87Å; Y290-V297 PolarHBondContact O-N 2.92Å; Y290-K298 WeakPolarHBondContact CD2-O 3.29Å; Y290-K298 VanDerWaalsContact CE2-O 3.3Å; Y290-K298 WeakPolarHBondContact CE2-O 3.44Å; Y290-V306 HydrophobicContact CD1-CG1 4.04Å; Y290-V306 HydrophobicContact CD1-CG2 4.09Å; Y290-V306 HydrophobicContact CE1-CB 4.4Å; Y290-V306 HydrophobicContact CE1-CG1 3.62Å; Y290-V306 HydrophobicContact CE1-CG2 3.78Å; Y290-G310 CarbonylContact C-O 3.58Å; Y290-G310 WeakPolarHBondContact CA-O 3.19Å; Y290-G310 WeakPolarHBondContact CB-O 3.03Å; Y290-G310 WeakPolarHBondContact CD1-O 3.49Å; Y290-C312 WeakPolarHBondContact CB-SG 3.42Å
291	N	89.6	Confident	85.3	Confident	43 Å²	43	58.5 Å²	58.5	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.7	175.2	-54.7	-3.6	0	0	0	109	F259 C269 G310 A311 C312	F259-N291 HydrophobicContact CE1-CB 3.9Å; C269-N291 VanDerWaalsContact CB-OD1 3.27Å; C269-N291 WeakPolarHBondContact CB-OD1 3.4Å; C269-N291 PolarHBondContact SG-OD1 2.8Å; C269-N291 VanDerWaalsContact SG-OD1 3.34Å; N291-G310 PolarHBondContact N-O 3.17Å; N291-A311 HydrophobicContact CB-CB 4.1Å; N291-A311 WeakPolarHBondContact O-CA 3.47Å; N291-C312 PolarHBondContact O-N 3.36Å
292	F	83.9	Confident	84.6	Confident	25 Å²	25	61.8 Å²	61.8	11%	0.11	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	100.8	175.1	176.6	-111	0	0	0	109.5	L67 A294 T295 V297 P301 Y304 C312	L67-F292 HydrophobicContact CD1-CE2 4.32Å; L67-F292 HydrophobicContact CD1-CZ 3.97Å; F292-A294 PolarHBondContact O-N 2.82Å; F292-T295 PolarHBondContact N-O 3.18Å; F292-T295 PolarHBondContact O-N 2.87Å; F292-T295 PolarHBondContact O-OG1 3.13Å; F292-V297 HydrophobicContact CB-CG1 4.01Å; F292-V297 HydrophobicContact CB-CG2 3.65Å; F292-V297 HydrophobicContact CD1-CG1 4.32Å; F292-P301 HydrophobicContact CD2-CG 4.09Å; F292-P301 HydrophobicContact CE1-CG 4.33Å; F292-P301 HydrophobicContact CE2-CG 3.8Å; F292-P301 HydrophobicContact CG-CG 4.47Å; F292-P301 HydrophobicContact CZ-CG 3.93Å; F292-Y304 HydrophobicContact CD2-CD1 4.43Å; F292-Y304 HydrophobicContact CD2-CE1 4.27Å; F292-Y304 HydrophobicContact CE2-CD1 4.14Å; F292-Y304 AromaticContact CE2-CE1 3.63Å; F292-Y304 HydrophobicContact CE2-CE1 3.63Å; F292-Y304 HydrophobicContact CE2-CE2 4.26Å; F292-Y304 AromaticContact CE2-CZ 3.72Å; F292-C312 HydrophobicContact CB-CB 4.37Å; F292-C312 HydrophobicContact CD2-CB 4.04Å
293	G	80.6	Confident	83.9	Confident	45 Å²	45	60.5 Å²	60.5	46%	0.464	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-126	-166.8	0	0	0	0	0	110.4
294	A	83.8	Confident	83.2	Confident	10 Å²	10	60.7 Å²	60.7	8%	0.083	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	24.4	173.6	0	0	0	0	0	113.7	D258 F259 Q260 F292	D258-A294 WeakPolarHBondContact O-CB 3.5Å; F259-A294 CarbonylContact C-O 3.12Å; F259-A294 WeakPolarHBondContact CA-O 3.42Å; Q260-A294 PolarHBondContact N-O 2.81Å; F292-A294 PolarHBondContact O-N 2.82Å
295	T	86.9	Confident	82.9	Confident	37 Å²	37	56 Å²	56	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.9	-177.8	67.8	0	0	0	0	112.6	Q260 F292	Q260-T295 WeakPolarHBondContact O-CA 3.47Å; F292-T295 PolarHBondContact N-O 3.18Å; F292-T295 PolarHBondContact O-N 2.87Å; F292-T295 PolarHBondContact O-OG1 3.13Å
296	C	90.2	Very high	82.9	Confident	9 Å²	9	55.3 Å²	55.3	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.4	178	-53.7	0	0	0	0	110.9	Q260 D261 C269 K289	Q260-C296 PolarHBondContact O-N 2.87Å; D261-C296 HydrophobicContact CB-CB 4.12Å; C269-C296 WeakPolarHBondContact CA-SG 3.4Å; C269-C296 HydrophobicContact CB-CB 3.74Å; C269-C296 WeakPolarHBondContact CB-SG 3.43Å; C269-C296 WeakPolarHBondContact SG-CA 3.36Å; C269-C296 WeakPolarHBondContact SG-CB 3.26Å; C269-C296 CovalentContact SG-SG 2.03Å; C269-C296 PolarHBondContact SG-SG 2.8Å; K289-C296 HydrophobicContact CB-CB 4.07Å; K289-C296 HydrophobicContact CD-CB 3.77Å
297	V	87.8	Confident	82.9	Confident	34 Å²	34	51.5 Å²	51.5	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.9	-175.4	-62	0	0	0	0	112	K289 Y290 F292 N299	K289-V297 CarbonylContact C-O 3.59Å; K289-V297 WeakPolarHBondContact CA-O 3.34Å; K289-V297 WeakPolarHBondContact CB-O 3.36Å; Y290-V297 PolarHBondContact N-O 2.87Å; Y290-V297 PolarHBondContact O-N 2.92Å; F292-V297 HydrophobicContact CB-CG1 4.01Å; F292-V297 HydrophobicContact CB-CG2 3.65Å; F292-V297 HydrophobicContact CD1-CG1 4.32Å; V297-N299 VanDerWaalsContact CG2-O 3.31Å; V297-N299 WeakPolarHBondContact CG2-O 3.41Å; V297-N299 PolarHBondContact O-N 2.79Å
298	K	86.3	Confident	82.6	Confident	154 Å²	154	50.2 Å²	50.2	67%	0.67	27%	0.274	S	S	*	.	S	Bend	trans	-68.1	-34.4	180	-72.9	-171.3	177.7	-177.3	0	113.4	K289 Y290	K289-K298 HydrophobicContact CG-CG 4.25Å; Y290-K298 WeakPolarHBondContact CD2-O 3.29Å; Y290-K298 VanDerWaalsContact CE2-O 3.3Å; Y290-K298 WeakPolarHBondContact CE2-O 3.44Å
299	N	84.2	Confident	82.1	Confident	131 Å²	131	57.3 Å²	57.3	70%	0.701	30%	0.303	S	S	*	.	S	Bend	trans	-131.8	145.2	175.5	-67	-32	0	0	0	108.3	V297	V297-N299 VanDerWaalsContact CG2-O 3.31Å; V297-N299 WeakPolarHBondContact CG2-O 3.41Å; V297-N299 PolarHBondContact O-N 2.79Å
300	C	81	Confident	81.7	Confident	28 Å²	28	57 Å²	57	19%	0.189	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-67.2	146.5	169.9	-66.2	0	0	0	0	111.2	C312	C300-C312 WeakPolarHBondContact CA-SG 3.26Å; C300-C312 HydrophobicContact CB-CB 3.81Å; C300-C312 WeakPolarHBondContact CB-SG 3.32Å; C300-C312 VanDerWaalsContact SG-CA 3.58Å; C300-C312 WeakPolarHBondContact SG-CB 3.44Å; C300-C312 CovalentContact SG-SG 2.03Å; C300-C312 PolarHBondContact SG-SG 3.42Å
301	P	75.6	Confident	81.6	Confident	50 Å²	50	56 Å²	56	33%	0.325	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-61.4	159.5	174.6	-23.2	34.6	0	0	0	113.1	F292 N303 Y304	F292-P301 HydrophobicContact CD2-CG 4.09Å; F292-P301 HydrophobicContact CE1-CG 4.33Å; F292-P301 HydrophobicContact CE2-CG 3.8Å; F292-P301 HydrophobicContact CG-CG 4.47Å; F292-P301 HydrophobicContact CZ-CG 3.93Å; P301-N303 PolarHBondContact O-N 2.98Å; P301-Y304 HydrophobicContact CB-CD2 3.91Å; P301-Y304 HydrophobicContact CB-CE2 4.26Å; P301-Y304 HydrophobicContact CG-CD2 4.41Å; P301-Y304 WeakPolarHBondContact O-CB 3.5Å; P301-Y304 PolarHBondContact O-N 2.72Å
302	H	68.6	Low	81.3	Confident	156 Å²	156	54.5 Å²	54.5	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	139.1	176.1	-167.5	-88.3	0	0	0	111.3
303	N	67.4	Low	80.9	Confident	83 Å²	83	55.5 Å²	55.5	44%	0.444	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	28.8	-171.9	-59.7	-35	0	0	0	116	P301 R329	P301-N303 PolarHBondContact O-N 2.98Å; N303-R329 PolarHBondContact OD1-NH2 3.4Å
304	Y	73.1	Confident	80.2	Confident	32 Å²	32	59.2 Å²	59.2	13%	0.125	31%	0.305	C	S	.	.			trans	-113.9	153.1	161.4	-72.4	-108.3	0	0	0	110.7	F292 P301 C312 V313 R314	F292-Y304 HydrophobicContact CD2-CD1 4.43Å; F292-Y304 HydrophobicContact CD2-CE1 4.27Å; F292-Y304 HydrophobicContact CE2-CD1 4.14Å; F292-Y304 AromaticContact CE2-CE1 3.63Å; F292-Y304 HydrophobicContact CE2-CE1 3.63Å; F292-Y304 HydrophobicContact CE2-CE2 4.26Å; F292-Y304 AromaticContact CE2-CZ 3.72Å; P301-Y304 HydrophobicContact CB-CD2 3.91Å; P301-Y304 HydrophobicContact CB-CE2 4.26Å; P301-Y304 HydrophobicContact CG-CD2 4.41Å; P301-Y304 WeakPolarHBondContact O-CB 3.5Å; P301-Y304 PolarHBondContact O-N 2.72Å; Y304-C312 HydrophobicContact CD1-CB 4.25Å; Y304-V313 CarbonylContact C-O 3.48Å; Y304-V313 VanDerWaalsContact CA-O 3.27Å; Y304-V313 WeakPolarHBondContact CA-O 3.34Å; Y304-V313 WeakPolarHBondContact CB-O 3.41Å; Y304-V313 WeakPolarHBondContact CD1-O 3.28Å; Y304-R314 HydrophobicContact CD1-CG 3.87Å; Y304-R314 HydrophobicContact CE1-CG 3.34Å; Y304-R314 HydrophobicContact CE2-CG 4.35Å; Y304-R314 PolarHBondContact OH-NH1 3.2Å
305	V	78.9	Confident	79.4	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.3	176.5	-101.4	0	0	0	0	110.5	V313 E322 R329	V305-V313 HydrophobicContact CG2-CG2 4.04Å; V305-V313 WeakPolarHBondContact CG2-O 3.49Å; V305-V313 PolarHBondContact N-O 3.09Å; V305-V313 PolarHBondContact O-N 2.92Å; V305-E322 HydrophobicContact CG1-CG 3.97Å; V305-R329 HydrophobicContact CG1-CB 3.48Å; V305-R329 VanDerWaalsContact CG1-CB 3.48Å
306	V	86.5	Confident	78.8	Confident	15 Å²	15	63 Å²	63	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.4	179.7	173	0	0	0	0	110.7	Y290 V328 R329 K330 C331	Y290-V306 HydrophobicContact CD1-CG1 4.04Å; Y290-V306 HydrophobicContact CD1-CG2 4.09Å; Y290-V306 HydrophobicContact CE1-CB 4.4Å; Y290-V306 HydrophobicContact CE1-CG1 3.62Å; Y290-V306 HydrophobicContact CE1-CG2 3.78Å; V306-V328 HydrophobicContact CB-CG1 4.32Å; V306-V328 HydrophobicContact CG2-CG1 3.69Å; V306-R329 PolarHBondContact N-O 3.31Å; V306-K330 HydrophobicContact CB-CG 4.33Å; V306-K330 CarbonylContact O-C 3.57Å; V306-K330 VanDerWaalsContact O-CA 3.24Å; V306-K330 WeakPolarHBondContact O-CA 2.99Å; V306-C331 PolarHBondContact O-N 3.06Å
307	T	84.9	Confident	77.9	Confident	34 Å²	34	66 Å²	66	21%	0.209	35%	0.348	C	S	.	.			trans	-82.7	159.8	170.5	56.1	0	0	0	0	112.6	H309 G310 A311 V313	T307-H309 PolarHBondContact O-N 2.99Å; T307-G310 PolarHBondContact O-N 3.08Å; T307-A311 PolarHBondContact N-O 3.26Å; T307-A311 WeakPolarHBondContact OG1-CA 3.37Å; T307-A311 WeakPolarHBondContact OG1-CB 3.41Å; T307-A311 PolarHBondContact OG1-N 2.94Å; T307-A311 PolarHBondContact OG1-O 2.88Å; T307-V313 HydrophobicContact CG2-CG1 3.98Å; T307-V313 HydrophobicContact CG2-CG2 3.68Å
308	D	78.5	Confident	76.7	Confident	94 Å²	94	67.6 Å²	67.6	50%	0.503	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-30.9	170.6	-76	0.3	0	0	0	114.1	K333	D308-K333 VanDerWaalsContact OD2-CE 3.22Å; D308-K333 WeakPolarHBondContact OD2-CE 3.21Å; D308-K333 IonicContact OD2-NZ 2.8Å; D308-K333 PolarHBondContact OD2-NZ 2.84Å
309	H	76.6	Confident	76.1	Confident	165 Å²	165	66.6 Å²	66.6	76%	0.764	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	8.6	-177.5	-57.1	-50.6	0	0	0	113.6	T307	T307-H309 PolarHBondContact O-N 2.99Å
310	G	83	Confident	75.8	Confident	4 Å²	4	61.4 Å²	61.4	4%	0.041	35%	0.348	C	S	.	.	S	Bend	trans	76.7	16.2	177.7	0	0	0	0	0	115.2	Y290 N291 T307	Y290-G310 CarbonylContact C-O 3.58Å; Y290-G310 WeakPolarHBondContact CA-O 3.19Å; Y290-G310 WeakPolarHBondContact CB-O 3.03Å; Y290-G310 WeakPolarHBondContact CD1-O 3.49Å; N291-G310 PolarHBondContact N-O 3.17Å; T307-G310 PolarHBondContact O-N 3.08Å
311	A	85.4	Confident	75.6	Confident	26 Å²	26	64.6 Å²	64.6	22%	0.215	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-90.3	138.7	172.3	0	0	0	0	0	112	N291 T307	N291-A311 HydrophobicContact CB-CB 4.1Å; N291-A311 WeakPolarHBondContact O-CA 3.47Å; T307-A311 PolarHBondContact N-O 3.26Å; T307-A311 WeakPolarHBondContact OG1-CA 3.37Å; T307-A311 WeakPolarHBondContact OG1-CB 3.41Å; T307-A311 PolarHBondContact OG1-N 2.94Å; T307-A311 PolarHBondContact OG1-O 2.88Å
312	C	83.3	Confident	75.7	Confident	11 Å²	11	66.7 Å²	66.7	7%	0.074	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	111.7	172.6	-54.2	0	0	0	0	110.1	Y290 N291 F292 C300 Y304	Y290-C312 WeakPolarHBondContact CB-SG 3.42Å; N291-C312 PolarHBondContact O-N 3.36Å; F292-C312 HydrophobicContact CB-CB 4.37Å; F292-C312 HydrophobicContact CD2-CB 4.04Å; C300-C312 WeakPolarHBondContact CA-SG 3.26Å; C300-C312 HydrophobicContact CB-CB 3.81Å; C300-C312 WeakPolarHBondContact CB-SG 3.32Å; C300-C312 VanDerWaalsContact SG-CA 3.58Å; C300-C312 WeakPolarHBondContact SG-CB 3.44Å; C300-C312 CovalentContact SG-SG 2.03Å; C300-C312 PolarHBondContact SG-SG 3.42Å; Y304-C312 HydrophobicContact CD1-CB 4.25Å
313	V	76	Confident	76.4	Confident	47 Å²	47	61.5 Å²	61.5	29%	0.285	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	164.6	177.6	-61.1	0	0	0	0	110.7	Y304 V305 T307 T315	Y304-V313 CarbonylContact C-O 3.48Å; Y304-V313 VanDerWaalsContact CA-O 3.27Å; Y304-V313 WeakPolarHBondContact CA-O 3.34Å; Y304-V313 WeakPolarHBondContact CB-O 3.41Å; Y304-V313 WeakPolarHBondContact CD1-O 3.28Å; V305-V313 HydrophobicContact CG2-CG2 4.04Å; V305-V313 WeakPolarHBondContact CG2-O 3.49Å; V305-V313 PolarHBondContact N-O 3.09Å; V305-V313 PolarHBondContact O-N 2.92Å; T307-V313 HydrophobicContact CG2-CG1 3.98Å; T307-V313 HydrophobicContact CG2-CG2 3.68Å; V313-T315 WeakPolarHBondContact CG2-O 3.31Å
314	R	66.6	Low	76.9	Confident	123 Å²	123	64.4 Å²	64.4	46%	0.464	35%	0.352	S	S	.	.	S	Bend	trans	-86.9	-24	179.5	-63.1	-170.1	74.6	125.8	5.2	113.6	Q37 Y304	Q37-R314 VanDerWaalsContact CD-NH1 3.31Å; Q37-R314 VanDerWaalsContact NE2-CD 3.32Å; Y304-R314 HydrophobicContact CD1-CG 3.87Å; Y304-R314 HydrophobicContact CE1-CG 3.34Å; Y304-R314 HydrophobicContact CE2-CG 4.35Å; Y304-R314 PolarHBondContact OH-NH1 3.2Å
315	T	66.6	Low	77	Confident	101 Å²	101	68.4 Å²	68.4	62%	0.62	37%	0.372	S	S	*	.	S	Bend	trans	-148.4	152.5	178.4	48.6	0	0	0	0	108.7	V313	V313-T315 WeakPolarHBondContact CG2-O 3.31Å
316	C	74	Confident	76.4	Confident	24 Å²	24	72.4 Å²	72.4	16%	0.162	41%	0.413	C	S	.	.			trans	-73.5	155.8	177	-62.9	0	0	0	0	112.9	T320 E322 C331	C316-T320 WeakPolarHBondContact CB-OG1 3.47Å; C316-E322 VanDerWaalsContact SG-CG 3.53Å; C316-C331 WeakPolarHBondContact CA-SG 3.37Å; C316-C331 HydrophobicContact CB-CB 3.76Å; C316-C331 WeakPolarHBondContact CB-SG 3.25Å; C316-C331 WeakPolarHBondContact SG-CA 3.13Å; C316-C331 WeakPolarHBondContact SG-CB 3.47Å; C316-C331 CovalentContact SG-SG 2.04Å; C316-C331 PolarHBondContact SG-SG 3.28Å
317	S	71.3	Confident	75.6	Confident	72 Å²	72	74.6 Å²	74.6	50%	0.503	44%	0.439	S	S	.	.			trans	-63.7	157.3	174.4	80.8	0	0	0	0	111.3	N319 T320	S317-N319 PolarHBondContact O-N 3.39Å; S317-T320 WeakPolarHBondContact CA-OG1 3.23Å; S317-T320 PolarHBondContact N-OG1 3.2Å; S317-T320 PolarHBondContact O-N 3.2Å; S317-T320 PolarHBondContact O-OG1 3.4Å; S317-T320 PolarHBondContact OG-OG1 2.86Å
318	G	63.5	Low	75.2	Confident	69 Å²	69	75.6 Å²	75.6	71%	0.711	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-8.9	-176.4	0	0	0	0	0	116.8	C338	G318-C338 PolarHBondContact O-SG 3.43Å
319	N	72.5	Confident	75.2	Confident	133 Å²	133	75 Å²	75	71%	0.711	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	13.1	175.3	-64.7	-6.5	0	0	0	112.8	S317 C334 C338	S317-N319 PolarHBondContact O-N 3.39Å; N319-C334 VanDerWaalsContact C-SG 3.57Å; N319-C334 PolarHBondContact O-N 2.88Å; N319-C334 PolarHBondContact O-SG 3.47Å; N319-C338 WeakPolarHBondContact CA-SG 3.4Å
320	T	77.8	Confident	75.6	Confident	22 Å²	22	70.6 Å²	70.6	14%	0.135	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154	-178.3	45.5	0	0	0	0	111.1	C316 S317 C331 A332 K333 C338	C316-T320 WeakPolarHBondContact CB-OG1 3.47Å; S317-T320 WeakPolarHBondContact CA-OG1 3.23Å; S317-T320 PolarHBondContact N-OG1 3.2Å; S317-T320 PolarHBondContact O-N 3.2Å; S317-T320 PolarHBondContact O-OG1 3.4Å; S317-T320 PolarHBondContact OG-OG1 2.86Å; T320-C331 HydrophobicContact CG2-CB 4.47Å; T320-A332 CarbonylContact C-O 3.58Å; T320-A332 WeakPolarHBondContact CA-O 3.42Å; T320-A332 VanDerWaalsContact CB-O 3.31Å; T320-A332 WeakPolarHBondContact CB-O 3.47Å; T320-K333 HydrophobicContact CG2-CG 3.99Å; T320-C338 PolarHBondContact N-SG 2.03Å
321	Y	77	Confident	75.6	Confident	95 Å²	95	70.6 Å²	70.6	37%	0.373	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	158.3	178.9	72.9	-74.3	0	0	0	112	V323 C331 A332 P339	Y321-V323 HydrophobicContact CD2-CG2 3.81Å; Y321-V323 HydrophobicContact CE1-CG2 4.36Å; Y321-V323 HydrophobicContact CE2-CG2 3.25Å; Y321-C331 CarbonylContact O-C 3.58Å; Y321-C331 WeakPolarHBondContact O-CA 3.45Å; Y321-A332 HydrophobicContact CD1-CB 4.28Å; Y321-A332 WeakPolarHBondContact CD1-O 3.23Å; Y321-A332 HydrophobicContact CE1-CB 3.84Å; Y321-A332 PolarHBondContact N-O 3.3Å; Y321-A332 PolarHBondContact O-N 3.35Å; Y321-P339 HydrophobicContact CD1-CG 4.46Å; Y321-P339 HydrophobicContact CD2-CG 4.18Å; Y321-P339 HydrophobicContact CG-CG 4.05Å
322	E	78.1	Confident	75.4	Confident	93 Å²	93	70.7 Å²	70.7	44%	0.435	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127	-178.2	-61	-168.6	-160.3	0	0	111.2	V305 C316 K330	V305-E322 HydrophobicContact CG1-CG 3.97Å; C316-E322 VanDerWaalsContact SG-CG 3.53Å; E322-K330 WeakPolarHBondContact CA-O 3.38Å
323	V	82.5	Confident	75.3	Confident	47 Å²	47	76.6 Å²	76.6	29%	0.285	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.2	174.6	176.7	0	0	0	0	108.3	Y321 K330 A332	Y321-V323 HydrophobicContact CD2-CG2 3.81Å; Y321-V323 HydrophobicContact CE1-CG2 4.36Å; Y321-V323 HydrophobicContact CE2-CG2 3.25Å; V323-K330 PolarHBondContact N-O 3.49Å; V323-K330 PolarHBondContact O-N 3.34Å; V323-A332 HydrophobicContact CB-CB 4.23Å; V323-A332 HydrophobicContact CG2-CB 3.59Å
324	E	78.8	Confident	75.3	Confident	145 Å²	145	75.2 Å²	75.2	68%	0.678	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.2	172.1	-171.1	166.2	-169.6	0	0	109.8	R329	E324-R329 HydrophobicContact CG-CG 4.48Å
325	E	74.8	Confident	75.4	Confident	116 Å²	116	76.5 Å²	76.5	54%	0.542	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	114.9	-177.1	-172.3	-172.8	-146.5	0	0	109.6	G327 V328 K330	E325-G327 VanDerWaalsContact C-N 3.31Å; E325-G327 PolarHBondContact O-N 3.44Å; E325-V328 PolarHBondContact N-O 3.05Å; E325-V328 PolarHBondContact O-N 3.27Å; E325-K330 HydrophobicContact CB-CD 4.23Å; E325-K330 WeakPolarHBondContact OE2-CD 3.18Å; E325-K330 WeakPolarHBondContact OE2-CE 3.06Å; E325-K330 IonicContact OE2-NZ 3.06Å; E325-K330 PolarHBondContact OE2-NZ 2.97Å
326	G	66.6	Low	75.5	Confident	84 Å²	84	74.6 Å²	74.6	87%	0.866	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	28.4	-178.6	0	0	0	0	0	114.4	V328	G326-V328 VanDerWaalsContact C-N 3.26Å; G326-V328 PolarHBondContact O-N 3.42Å
327	G	70.9	Confident	75	Confident	62 Å²	62	77.8 Å²	77.8	64%	0.639	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	7.9	-176	0	0	0	0	0	114.5	E325	E325-G327 VanDerWaalsContact C-N 3.31Å; E325-G327 PolarHBondContact O-N 3.44Å
328	V	76.6	Confident	74.9	Confident	54 Å²	54	75.6 Å²	75.6	33%	0.327	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.4	172.3	-179.5	0	0	0	0	108.7	V306 E325 G326 K330	V306-V328 HydrophobicContact CB-CG1 4.32Å; V306-V328 HydrophobicContact CG2-CG1 3.69Å; E325-V328 PolarHBondContact N-O 3.05Å; E325-V328 PolarHBondContact O-N 3.27Å; G326-V328 VanDerWaalsContact C-N 3.26Å; G326-V328 PolarHBondContact O-N 3.42Å; V328-K330 HydrophobicContact CG1-CG 4.2Å
329	R	77.1	Confident	75.2	Confident	82 Å²	82	76 Å²	76	31%	0.309	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125	171.3	-67.3	-175.5	-92.2	167.7	-16.5	109.7	N303 V305 V306 E324	N303-R329 PolarHBondContact OD1-NH2 3.4Å; V305-R329 HydrophobicContact CG1-CB 3.48Å; V305-R329 VanDerWaalsContact CG1-CB 3.48Å; V306-R329 PolarHBondContact N-O 3.31Å; E324-R329 HydrophobicContact CG-CG 4.48Å
330	K	85.3	Confident	75.6	Confident	72 Å²	72	73.8 Å²	73.8	31%	0.313	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158	-176.1	-57.1	-178.7	-169.9	177.7	0	111.4	V306 E322 V323 E325 V328	V306-K330 HydrophobicContact CB-CG 4.33Å; V306-K330 CarbonylContact O-C 3.57Å; V306-K330 VanDerWaalsContact O-CA 3.24Å; V306-K330 WeakPolarHBondContact O-CA 2.99Å; E322-K330 WeakPolarHBondContact CA-O 3.38Å; V323-K330 PolarHBondContact N-O 3.49Å; V323-K330 PolarHBondContact O-N 3.34Å; E325-K330 HydrophobicContact CB-CD 4.23Å; E325-K330 WeakPolarHBondContact OE2-CD 3.18Å; E325-K330 WeakPolarHBondContact OE2-CE 3.06Å; E325-K330 IonicContact OE2-NZ 3.06Å; E325-K330 PolarHBondContact OE2-NZ 2.97Å; V328-K330 HydrophobicContact CG1-CG 4.2Å
331	C	82.3	Confident	75.8	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.027	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	91.1	174.5	-65.9	0	0	0	0	111.5	V306 C316 T320 Y321	V306-C331 PolarHBondContact O-N 3.06Å; C316-C331 WeakPolarHBondContact CA-SG 3.37Å; C316-C331 HydrophobicContact CB-CB 3.76Å; C316-C331 WeakPolarHBondContact CB-SG 3.25Å; C316-C331 WeakPolarHBondContact SG-CA 3.13Å; C316-C331 WeakPolarHBondContact SG-CB 3.47Å; C316-C331 CovalentContact SG-SG 2.04Å; C316-C331 PolarHBondContact SG-SG 3.28Å; T320-C331 HydrophobicContact CG2-CB 4.47Å; Y321-C331 CarbonylContact O-C 3.58Å; Y321-C331 WeakPolarHBondContact O-CA 3.45Å
332	A	81.9	Confident	76.4	Confident	29 Å²	29	73 Å²	73	24%	0.24	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	145.2	176.2	0	0	0	0	0	111.5	T320 Y321 V323	T320-A332 CarbonylContact C-O 3.58Å; T320-A332 WeakPolarHBondContact CA-O 3.42Å; T320-A332 VanDerWaalsContact CB-O 3.31Å; T320-A332 WeakPolarHBondContact CB-O 3.47Å; Y321-A332 HydrophobicContact CD1-CB 4.28Å; Y321-A332 WeakPolarHBondContact CD1-O 3.23Å; Y321-A332 HydrophobicContact CE1-CB 3.84Å; Y321-A332 PolarHBondContact N-O 3.3Å; Y321-A332 PolarHBondContact O-N 3.35Å; V323-A332 HydrophobicContact CB-CB 4.23Å; V323-A332 HydrophobicContact CG2-CB 3.59Å
333	K	81.4	Confident	76.9	Confident	134 Å²	134	71.3 Å²	71.3	58%	0.583	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	143	175.2	-75.5	173.7	174.6	127.2	0	111.9	D308 T320	D308-K333 VanDerWaalsContact OD2-CE 3.22Å; D308-K333 WeakPolarHBondContact OD2-CE 3.21Å; D308-K333 IonicContact OD2-NZ 2.8Å; D308-K333 PolarHBondContact OD2-NZ 2.84Å; T320-K333 HydrophobicContact CG2-CG 3.99Å
334	C	75.6	Confident	77.2	Confident	19 Å²	19	69.1 Å²	69.1	13%	0.128	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-81.5	132.2	-179.4	-57.3	0	0	0	0	111.9	N319 G336 C338	N319-C334 VanDerWaalsContact C-SG 3.57Å; N319-C334 PolarHBondContact O-N 2.88Å; N319-C334 PolarHBondContact O-SG 3.47Å; C334-G336 VanDerWaalsContact C-N 3.27Å; C334-G336 WeakPolarHBondContact CB-O 3.38Å; C334-G336 PolarHBondContact O-N 3.5Å; C334-C338 HydrophobicContact CB-CB 3.94Å; C334-C338 WeakPolarHBondContact CB-SG 3.26Å; C334-C338 WeakPolarHBondContact SG-CA 3.44Å; C334-C338 WeakPolarHBondContact SG-CB 3.35Å; C334-C338 CovalentContact SG-SG 2.03Å; C334-C338 PolarHBondContact SG-SG 2.84Å
335	N	69.2	Low	77.6	Confident	149 Å²	149	62.5 Å²	62.5	80%	0.797	38%	0.376	S	S	*	.	S	Bend	trans	-79.5	76.5	173.9	-73.9	-17.7	0	0	0	110.4	R404	N335-R404 PolarHBondContact O-NH2 3.32Å; N335-R404 VanDerWaalsContact O-NH2 3.09Å
336	G	69.1	Low	77.7	Confident	61 Å²	61	59.1 Å²	59.1	63%	0.629	37%	0.373	S	S	*	.	S	Bend	trans	98.6	-142.1	-169.4	0	0	0	0	0	111.2	C334	C334-G336 VanDerWaalsContact C-N 3.27Å; C334-G336 WeakPolarHBondContact CB-O 3.38Å; C334-G336 PolarHBondContact O-N 3.5Å
337	L	63.9	Low	78.1	Confident	91 Å²	91	61 Å²	61	48%	0.476	36%	0.355	S	S	.	.	S	Bend	trans	-62.2	140.4	172.8	-72.1	168.6	0	0	0	110.9	N366 T368 T402	L337-N366 HydrophobicContact CD1-CB 4.49Å; L337-T368 HydrophobicContact CB-CG2 4.37Å; L337-T402 HydrophobicContact CD1-CG2 3.38Å
338	C	69.2	Low	78.5	Confident	27 Å²	27	60 Å²	60	18%	0.182	34%	0.344	C	S	.	.			trans	-68.3	155.8	-180	-72.8	0	0	0	0	113.6	G318 N319 T320 C334 K340 T368	G318-C338 PolarHBondContact O-SG 3.43Å; N319-C338 WeakPolarHBondContact CA-SG 3.4Å; T320-C338 PolarHBondContact N-SG 2.03Å; C334-C338 HydrophobicContact CB-CB 3.94Å; C334-C338 WeakPolarHBondContact CB-SG 3.26Å; C334-C338 WeakPolarHBondContact SG-CA 3.44Å; C334-C338 WeakPolarHBondContact SG-CB 3.35Å; C334-C338 CovalentContact SG-SG 2.03Å; C334-C338 PolarHBondContact SG-SG 2.84Å; C338-K340 VanDerWaalsContact C-N 3.32Å; C338-K340 PolarHBondContact O-N 2.82Å; C338-T368 VanDerWaalsContact O-CG2 3.26Å; C338-T368 WeakPolarHBondContact O-CG2 3.26Å
339	P	69.9	Low	78.6	Confident	76 Å²	76	64.6 Å²	64.6	49%	0.494	37%	0.367	S	S	.	.			trans	-55.3	82.1	175.7	-28.9	37.5	0	0	0	115.2	Y321 T368	Y321-P339 HydrophobicContact CD1-CG 4.46Å; Y321-P339 HydrophobicContact CD2-CG 4.18Å; Y321-P339 HydrophobicContact CG-CG 4.05Å; P339-T368 VanDerWaalsContact CA-OG1 3.28Å; P339-T368 WeakPolarHBondContact CA-OG1 3.49Å
340	K	79.4	Confident	79	Confident	87 Å²	87	61.4 Å²	61.4	38%	0.378	36%	0.356	S	S	.	.			trans	-90.5	108.3	172.8	-170.3	-162.9	177.3	-149.3	0	109	C338 C342 K365 N366 C367 T368 K369	C338-K340 VanDerWaalsContact C-N 3.32Å; C338-K340 PolarHBondContact O-N 2.82Å; K340-C342 VanDerWaalsContact CD-SG 3.58Å; K340-C342 WeakPolarHBondContact CE-SG 3.27Å; K340-C342 PolarHBondContact NZ-SG 3.33Å; K340-C342 VanDerWaalsContact NZ-SG 3.42Å; K340-K365 PolarHBondContact NZ-O 3.35Å; K340-N366 WeakPolarHBondContact CB-O 3.32Å; K340-N366 VanDerWaalsContact CD-O 3.31Å; K340-N366 WeakPolarHBondContact CD-O 3.37Å; K340-C367 PolarHBondContact NZ-SG 2.04Å; K340-T368 PolarHBondContact N-OG1 3.01Å; K340-T368 VanDerWaalsContact N-OG1 3.1Å; K340-T368 PolarHBondContact O-N 2.87Å; K340-T368 PolarHBondContact O-OG1 2.91Å; K340-K369 PolarHBondContact O-N 3.45Å
341	V	82.6	Confident	78.9	Confident	88 Å²	88	60.9 Å²	60.9	53%	0.533	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.8	170.2	-173.5	0	0	0	0	109	K369 T371	V341-K369 WeakPolarHBondContact CA-O 3.35Å; V341-K369 HydrophobicContact CG2-CB 4.45Å; V341-K369 HydrophobicContact CG2-CD 4.29Å; V341-T371 VanDerWaalsContact CG1-OG1 3.22Å; V341-T371 WeakPolarHBondContact CG1-OG1 3.37Å
342	C	88.8	Confident	78.8	Confident	12 Å²	12	71.3 Å²	71.3	8%	0.081	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.8	179.1	-60.8	0	0	0	0	110.7	K340 C367 K369 I370 T371	K340-C342 VanDerWaalsContact CD-SG 3.58Å; K340-C342 WeakPolarHBondContact CE-SG 3.27Å; K340-C342 PolarHBondContact NZ-SG 3.33Å; K340-C342 VanDerWaalsContact NZ-SG 3.42Å; C342-C367 HydrophobicContact CB-CB 3.67Å; C342-C367 WeakPolarHBondContact CB-SG 3.38Å; C342-C367 WeakPolarHBondContact SG-CB 3.44Å; C342-C367 CovalentContact SG-SG 2.01Å; C342-C367 PolarHBondContact SG-SG 2.88Å; C342-K369 PolarHBondContact N-O 3.02Å; C342-I370 HydrophobicContact CB-CD1 4Å; C342-I370 WeakPolarHBondContact O-CA 3.48Å; C342-T371 PolarHBondContact O-N 3.04Å
343	N	89.2	Confident	79	Confident	59 Å²	59	72.9 Å²	72.9	32%	0.316	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.5	175.9	-58	-20.4	0	0	0	109.6	Y347 L350 F364	N343-Y347 HydrophobicContact CB-CD1 4.28Å; N343-Y347 WeakPolarHBondContact OD1-CD1 3.34Å; N343-L350 WeakPolarHBondContact O-CD1 3.24Å; N343-F364 WeakPolarHBondContact O-CE1 3.31Å
344	G	88.4	Confident	79.2	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	41%	0.412	C	S	.	.			trans	-92.2	-178	163.6	0	0	0	0	0	111	Y347 L350 I370 T371	G344-Y347 PolarHBondContact O-N 2.82Å; G344-L350 WeakPolarHBondContact O-CB 3.43Å; G344-I370 VanDerWaalsContact CA-CG2 3.48Å; G344-T371 PolarHBondContact N-O 3.05Å
345	L	87.1	Confident	79.9	Confident	6 Å²	6	73.2 Å²	73.2	3%	0.031	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-59.5	146.7	172.7	-53.1	176.9	0	0	0	109.9	Y347 L350 I353 V356 D373	L345-Y347 VanDerWaalsContact C-N 3.27Å; L345-Y347 PolarHBondContact O-N 3.13Å; L345-L350 HydrophobicContact CD2-CB 4.41Å; L345-I353 HydrophobicContact CD2-CB 4.21Å; L345-I353 HydrophobicContact CD2-CG2 3.97Å; L345-V356 HydrophobicContact CD1-CG2 4.3Å; L345-V356 HydrophobicContact CG-CG2 4.46Å; L345-D373 HydrophobicContact CB-CB 4.29Å; L345-D373 PolarHBondContact N-O 2.78Å; L345-D373 PolarHBondContact O-N 2.75Å
346	G	76.9	Confident	81.1	Confident	46 Å²	46	66.1 Å²	66.1	47%	0.474	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	6.8	-174.9	0	0	0	0	0	114.8	L350	G346-L350 PolarHBondContact N-O 3.44Å
347	Y	74.5	Confident	82.2	Confident	124 Å²	124	64.4 Å²	64.4	49%	0.486	35%	0.348	S	S	.	.	S	Bend	trans	-137.6	140.1	-179.9	-154.5	-98.6	0	0	0	113.4	N343 G344 L345 N349 L350 T351 T371	N343-Y347 HydrophobicContact CB-CD1 4.28Å; N343-Y347 WeakPolarHBondContact OD1-CD1 3.34Å; G344-Y347 PolarHBondContact O-N 2.82Å; L345-Y347 VanDerWaalsContact C-N 3.27Å; L345-Y347 PolarHBondContact O-N 3.13Å; Y347-N349 PolarHBondContact O-N 2.87Å; Y347-L350 PolarHBondContact O-N 3.44Å; Y347-T351 VanDerWaalsContact C-OG1 3.26Å; Y347-T371 WeakPolarHBondContact CB-O 3.37Å; Y347-T371 HydrophobicContact CD1-CG2 3.72Å; Y347-T371 HydrophobicContact CD2-CG2 4.09Å; Y347-T371 HydrophobicContact CE1-CG2 3.54Å; Y347-T371 HydrophobicContact CE2-CG2 3.92Å; Y347-T371 HydrophobicContact CG-CG2 4Å
348	G	79.6	Confident	83.5	Confident	40 Å²	40	61 Å²	61	41%	0.412	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	50.1	-133.4	179.1	0	0	0	0	0	113.3	L350 T351	G348-L350 PolarHBondContact O-N 3.42Å; G348-T351 PolarHBondContact N-OG1 2.88Å; G348-T351 VanDerWaalsContact N-OG1 3.16Å; G348-T351 WeakPolarHBondContact O-CB 2.99Å; G348-T351 PolarHBondContact O-N 2.72Å; G348-T351 PolarHBondContact O-OG1 3.28Å
349	N	78.9	Confident	84.6	Confident	151 Å²	151	64.5 Å²	64.5	81%	0.807	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62.1	-10.5	180	-58.4	32.5	0	0	0	114.5	Y347	Y347-N349 PolarHBondContact O-N 2.87Å
350	L	86.6	Confident	85.6	Confident	15 Å²	15	61.6 Å²	61.6	8%	0.079	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-105.3	10.7	177.4	-49.6	-177.5	0	0	0	112.7	N343 G344 L345 G346 Y347 G348 Y352 I353 N360 F364	N343-L350 WeakPolarHBondContact O-CD1 3.24Å; G344-L350 WeakPolarHBondContact O-CB 3.43Å; L345-L350 HydrophobicContact CD2-CB 4.41Å; G346-L350 PolarHBondContact N-O 3.44Å; Y347-L350 PolarHBondContact O-N 3.44Å; G348-L350 PolarHBondContact O-N 3.42Å; L350-Y352 VanDerWaalsContact C-N 3.32Å; L350-Y352 PolarHBondContact O-N 2.94Å; L350-I353 HydrophobicContact CD2-CD1 3.79Å; L350-I353 PolarHBondContact O-N 2.82Å; L350-N360 HydrophobicContact CD2-CB 4.47Å; L350-F364 HydrophobicContact CD1-CE1 4.46Å; L350-F364 HydrophobicContact CD1-CE2 4.22Å; L350-F364 HydrophobicContact CD1-CZ 3.71Å
351	T	81.6	Confident	86.3	Confident	60 Å²	60	57.9 Å²	57.9	37%	0.368	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-40.1	-174.5	-59.7	0	0	0	0	113.5	Y347 G348	Y347-T351 VanDerWaalsContact C-OG1 3.26Å; G348-T351 PolarHBondContact N-OG1 2.88Å; G348-T351 VanDerWaalsContact N-OG1 3.16Å; G348-T351 WeakPolarHBondContact O-CB 2.99Å; G348-T351 PolarHBondContact O-N 2.72Å; G348-T351 PolarHBondContact O-OG1 3.28Å
352	Y	80.9	Confident	86.6	Confident	223 Å²	223	56.2 Å²	56.2	88%	0.875	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	11.3	-177.4	-55.4	-68.1	0	0	0	114	L350	L350-Y352 VanDerWaalsContact C-N 3.32Å; L350-Y352 PolarHBondContact O-N 2.94Å
353	I	86	Confident	86.7	Confident	62 Å²	62	58.4 Å²	58.4	32%	0.318	33%	0.334	S	S	.	.			trans	-99.2	124	-173	-60.5	-173.3	0	0	0	110.6	L345 L350 S355 N360	L345-I353 HydrophobicContact CD2-CB 4.21Å; L345-I353 HydrophobicContact CD2-CG2 3.97Å; L350-I353 HydrophobicContact CD2-CD1 3.79Å; L350-I353 PolarHBondContact O-N 2.82Å; I353-S355 WeakPolarHBondContact CG2-O 3.4Å; I353-N360 WeakPolarHBondContact CG2-ND2 3.46Å
354	L	85.1	Confident	86.9	Confident	152 Å²	152	55.6 Å²	55.6	80%	0.796	32%	0.319	S	S	*	.			trans	-73.9	-27.3	-171.6	-68.4	166.4	0	0	0	114.8
355	S	91.4	Very high	87	Confident	9 Å²	9	62 Å²	62	6%	0.063	35%	0.347	C	S	.	.	S	Bend	trans	-158.5	159.8	-178	61	0	0	0	0	112.5	I353 N360 T375 S380	I353-S355 WeakPolarHBondContact CG2-O 3.4Å; S355-N360 PolarHBondContact O-ND2 2.95Å; S355-T375 WeakPolarHBondContact CA-O 3.05Å; S355-T375 WeakPolarHBondContact CB-O 3.47Å; S355-S380 WeakPolarHBondContact CB-OG 3.32Å; S355-S380 PolarHBondContact OG-OG 3.45Å
356	V	94	Very high	86.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.366	C	S	.	.			trans	-66.1	135.6	166.5	-178.9	0	0	0	0	108.2	L345 N360 I361 F364 I374 T375 S380 M392 F400	L345-V356 HydrophobicContact CD1-CG2 4.3Å; L345-V356 HydrophobicContact CG-CG2 4.46Å; V356-N360 VanDerWaalsContact CA-OD1 3.3Å; V356-N360 WeakPolarHBondContact CA-OD1 3.47Å; V356-I361 HydrophobicContact CG1-CB 4.41Å; V356-I361 HydrophobicContact CG1-CD1 3.5Å; V356-I361 VanDerWaalsContact CG1-CD1 3.5Å; V356-F364 HydrophobicContact CG1-CE2 4.21Å; V356-F364 HydrophobicContact CG2-CE2 4.08Å; V356-F364 HydrophobicContact CG2-CZ 4.23Å; V356-I374 HydrophobicContact CG2-CG2 4.13Å; V356-T375 PolarHBondContact N-O 3.27Å; V356-S380 WeakPolarHBondContact O-CB 3.29Å; V356-S380 PolarHBondContact O-OG 2.87Å; V356-M392 HydrophobicContact CG1-CE 4.31Å; V356-F400 HydrophobicContact CG1-CE2 4.36Å; V356-F400 HydrophobicContact CG1-CZ 4Å; V356-F400 HydrophobicContact CG2-CZ 4.29Å
357	N	92.8	Very high	87.6	Confident	25 Å²	25	63.4 Å²	63.4	13%	0.134	34%	0.343	C	S	.	.			trans	-147.6	170.9	-177.6	75.5	15.6	0	0	0	111.9	T359 N360 I361 T389 M392	N357-T359 PolarHBondContact O-N 3.43Å; N357-T359 WeakPolarHBondContact OD1-CA 3.19Å; N357-T359 WeakPolarHBondContact OD1-CB 3.44Å; N357-T359 PolarHBondContact OD1-N 3.48Å; N357-N360 PolarHBondContact N-ND2 3.02Å; N357-N360 PolarHBondContact N-OD1 3.27Å; N357-N360 PolarHBondContact O-N 2.94Å; N357-N360 PolarHBondContact O-OD1 2.88Å; N357-N360 PolarHBondContact OD1-N 3.2Å; N357-N360 PolarHBondContact OD1-ND2 2.84Å; N357-I361 WeakPolarHBondContact O-CB 3.36Å; N357-I361 PolarHBondContact O-N 3.29Å; N357-T389 HydrophobicContact CB-CG2 3.76Å; N357-M392 VanDerWaalsContact C-CE 3.41Å
358	A	91.5	Very high	88.2	Confident	18 Å²	18	58.1 Å²	58.1	15%	0.149	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.9	-176.9	0	0	0	0	0	114.4	P390 M392	A358-P390 HydrophobicContact CB-CG 3.98Å; A358-P390 WeakPolarHBondContact CB-O 3.44Å; A358-M392 HydrophobicContact CB-CB 4.22Å
359	T	90.7	Very high	88.7	Confident	101 Å²	101	59.1 Å²	59.1	62%	0.62	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-35.5	177.3	-47.7	0	0	0	0	112.4	N357	N357-T359 PolarHBondContact O-N 3.43Å; N357-T359 WeakPolarHBondContact OD1-CA 3.19Å; N357-T359 WeakPolarHBondContact OD1-CB 3.44Å; N357-T359 PolarHBondContact OD1-N 3.48Å
360	N	91.8	Very high	89.3	Confident	15 Å²	15	52 Å²	52	8%	0.08	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-16.3	-175.6	71.2	40.6	0	0	0	114.8	L350 I353 S355 V356 N357 G362 S363	L350-N360 HydrophobicContact CD2-CB 4.47Å; I353-N360 WeakPolarHBondContact CG2-ND2 3.46Å; S355-N360 PolarHBondContact O-ND2 2.95Å; V356-N360 VanDerWaalsContact CA-OD1 3.3Å; V356-N360 WeakPolarHBondContact CA-OD1 3.47Å; N357-N360 PolarHBondContact N-ND2 3.02Å; N357-N360 PolarHBondContact N-OD1 3.27Å; N357-N360 PolarHBondContact O-N 2.94Å; N357-N360 PolarHBondContact O-OD1 2.88Å; N357-N360 PolarHBondContact OD1-N 3.2Å; N357-N360 PolarHBondContact OD1-ND2 2.84Å; N360-G362 PolarHBondContact O-N 3.24Å; N360-G362 VanDerWaalsContact O-N 3.09Å; N360-S363 WeakPolarHBondContact O-CB 3.11Å; N360-S363 PolarHBondContact O-N 3.4Å; N360-S363 PolarHBondContact O-OG 2.88Å
361	I	93.4	Very high	89.3	Confident	9 Å²	9	52.6 Å²	52.6	5%	0.046	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-53.2	-34	-177.3	-169.5	68.1	0	0	0	113.1	V356 N357 S363 F364 M392 Q396 V399 F400	V356-I361 HydrophobicContact CG1-CB 4.41Å; V356-I361 HydrophobicContact CG1-CD1 3.5Å; V356-I361 VanDerWaalsContact CG1-CD1 3.5Å; N357-I361 WeakPolarHBondContact O-CB 3.36Å; N357-I361 PolarHBondContact O-N 3.29Å; I361-S363 PolarHBondContact O-N 3.36Å; I361-F364 PolarHBondContact O-N 2.98Å; I361-M392 HydrophobicContact CB-CE 4.33Å; I361-M392 HydrophobicContact CD1-CE 4.36Å; I361-M392 HydrophobicContact CG1-CE 4.46Å; I361-Q396 HydrophobicContact CG1-CB 4.23Å; I361-Q396 WeakPolarHBondContact CG1-O 3.33Å; I361-Q396 HydrophobicContact CG2-CB 4.37Å; I361-V399 HydrophobicContact CD1-CG1 3.57Å; I361-V399 HydrophobicContact CG1-CG1 3.91Å; I361-F400 HydrophobicContact CD1-CD2 4.49Å; I361-F400 HydrophobicContact CD1-CE2 3.61Å; I361-F400 HydrophobicContact CD1-CZ 3.8Å
362	G	90.3	Very high	89.5	Confident	54 Å²	54	50.1 Å²	50.1	56%	0.557	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.9	-22.3	178.1	0	0	0	0	0	115	N360 F364 K365	N360-G362 PolarHBondContact O-N 3.24Å; N360-G362 VanDerWaalsContact O-N 3.09Å; G362-F364 PolarHBondContact O-N 3.45Å; G362-K365 WeakPolarHBondContact O-CB 3.48Å; G362-K365 PolarHBondContact O-N 2.84Å
363	S	91.1	Very high	89.9	Confident	57 Å²	57	40.6 Å²	40.6	40%	0.399	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.7	-28.5	176.4	65.4	0	0	0	0	112.8	N360 I361 K365 C367	N360-S363 WeakPolarHBondContact O-CB 3.11Å; N360-S363 PolarHBondContact O-N 3.4Å; N360-S363 PolarHBondContact O-OG 2.88Å; I361-S363 PolarHBondContact O-N 3.36Å; S363-K365 PolarHBondContact O-N 2.65Å; S363-C367 PolarHBondContact O-SG 3.5Å
364	F	92.2	Very high	90.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-78.3	0.8	179.4	-61.4	-79.3	0	0	0	113.9	N343 L350 V356 I361 G362 N366 C367 I370 V399 F400	N343-F364 WeakPolarHBondContact O-CE1 3.31Å; L350-F364 HydrophobicContact CD1-CE1 4.46Å; L350-F364 HydrophobicContact CD1-CE2 4.22Å; L350-F364 HydrophobicContact CD1-CZ 3.71Å; V356-F364 HydrophobicContact CG1-CE2 4.21Å; V356-F364 HydrophobicContact CG2-CE2 4.08Å; V356-F364 HydrophobicContact CG2-CZ 4.23Å; I361-F364 PolarHBondContact O-N 2.98Å; G362-F364 PolarHBondContact O-N 3.45Å; F364-N366 PolarHBondContact O-N 2.71Å; F364-C367 WeakPolarHBondContact CA-SG 3.49Å; F364-C367 VanDerWaalsContact O-CB 3.24Å; F364-C367 WeakPolarHBondContact O-CB 3.47Å; F364-C367 PolarHBondContact O-N 2.78Å; F364-C367 VanDerWaalsContact O-N 3.17Å; F364-C367 PolarHBondContact O-SG 3.35Å; F364-I370 HydrophobicContact CD1-CD1 3.75Å; F364-I370 HydrophobicContact CE1-CD1 4.2Å; F364-I370 HydrophobicContact CE1-CG2 4.27Å; F364-V399 VanDerWaalsContact C-CG2 3.48Å; F364-V399 HydrophobicContact CB-CG1 4.04Å; F364-V399 HydrophobicContact CB-CG2 4.15Å; F364-F400 HydrophobicContact CB-CD1 4.44Å; F364-F400 HydrophobicContact CB-CE1 3.88Å; F364-F400 AromaticContact CD1-CE1 3.79Å; F364-F400 HydrophobicContact CD1-CE1 3.79Å; F364-F400 HydrophobicContact CD2-CE1 4.17Å; F364-F400 HydrophobicContact CD2-CZ 4.19Å; F364-F400 HydrophobicContact CE1-CE1 4.39Å; F364-F400 AromaticContact CG-CE1 3.66Å; F364-F400 HydrophobicContact CG-CE1 3.66Å; F364-F400 HydrophobicContact CG-CZ 4.15Å
365	K	89.8	Confident	90.8	Very high	136 Å²	136	30.8 Å²	30.8	59%	0.591	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	124.9	-175.8	-169.7	169.7	-175.9	175.1	0	113	K340 G362 S363 C367 V399	K340-K365 PolarHBondContact NZ-O 3.35Å; G362-K365 WeakPolarHBondContact O-CB 3.48Å; G362-K365 PolarHBondContact O-N 2.84Å; S363-K365 PolarHBondContact O-N 2.65Å; K365-C367 PolarHBondContact O-N 2.82Å; K365-V399 VanDerWaalsContact CA-CG2 3.44Å; K365-V399 HydrophobicContact CB-CG2 4.1Å
366	N	86.6	Confident	91	Very high	80 Å²	80	30.4 Å²	30.4	43%	0.428	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	26.4	-176.9	-53.7	4.7	0	0	0	113.8	L337 K340 F364	L337-N366 HydrophobicContact CD1-CB 4.49Å; K340-N366 WeakPolarHBondContact CB-O 3.32Å; K340-N366 VanDerWaalsContact CD-O 3.31Å; K340-N366 WeakPolarHBondContact CD-O 3.37Å; F364-N366 PolarHBondContact O-N 2.71Å
367	C	90	Very high	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.189	C	C	.	.			trans	-86.4	124.2	-179.4	-63.5	0	0	0	0	111.3	K340 C342 S363 F364 K365 I370 T402 V403	K340-C367 PolarHBondContact NZ-SG 2.04Å; C342-C367 HydrophobicContact CB-CB 3.67Å; C342-C367 WeakPolarHBondContact CB-SG 3.38Å; C342-C367 WeakPolarHBondContact SG-CB 3.44Å; C342-C367 CovalentContact SG-SG 2.01Å; C342-C367 PolarHBondContact SG-SG 2.88Å; S363-C367 PolarHBondContact O-SG 3.5Å; F364-C367 WeakPolarHBondContact CA-SG 3.49Å; F364-C367 VanDerWaalsContact O-CB 3.24Å; F364-C367 WeakPolarHBondContact O-CB 3.47Å; F364-C367 PolarHBondContact O-N 2.78Å; F364-C367 VanDerWaalsContact O-N 3.17Å; F364-C367 PolarHBondContact O-SG 3.35Å; K365-C367 PolarHBondContact O-N 2.82Å; C367-I370 HydrophobicContact CB-CD1 3.72Å; C367-T402 PolarHBondContact N-OG1 3.36Å; C367-T402 CarbonylContact O-C 3.57Å; C367-T402 VanDerWaalsContact O-C 3.29Å; C367-T402 PolarHBondContact O-OG1 3.44Å; C367-V403 WeakPolarHBondContact O-CA 3.35Å; C367-V403 WeakPolarHBondContact O-CG2 3.46Å; C367-V403 PolarHBondContact O-N 2.89Å
368	T	89	Confident	90.7	Very high	13 Å²	13	38.4 Å²	38.4	8%	0.08	21%	0.211	C	C	.	.	S	Bend	trans	-94.8	-22.8	177.7	65.2	0	0	0	0	112.9	L337 C338 P339 K340 T402 R404 E405	L337-T368 HydrophobicContact CB-CG2 4.37Å; C338-T368 VanDerWaalsContact O-CG2 3.26Å; C338-T368 WeakPolarHBondContact O-CG2 3.26Å; P339-T368 VanDerWaalsContact CA-OG1 3.28Å; P339-T368 WeakPolarHBondContact CA-OG1 3.49Å; K340-T368 PolarHBondContact N-OG1 3.01Å; K340-T368 VanDerWaalsContact N-OG1 3.1Å; K340-T368 PolarHBondContact O-N 2.87Å; K340-T368 PolarHBondContact O-OG1 2.91Å; T368-T402 WeakPolarHBondContact CA-O 3.37Å; T368-R404 PolarHBondContact O-N 3.03Å; T368-E405 PolarHBondContact O-N 3.32Å; T368-E405 VanDerWaalsContact O-N 3.15Å
369	K	89.2	Confident	90.6	Very high	62 Å²	62	40.3 Å²	40.3	27%	0.27	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	125	-175.7	177.8	166.9	-175.1	145.4	0	110.8	K340 V341 C342 E405	K340-K369 PolarHBondContact O-N 3.45Å; V341-K369 WeakPolarHBondContact CA-O 3.35Å; V341-K369 HydrophobicContact CG2-CB 4.45Å; V341-K369 HydrophobicContact CG2-CD 4.29Å; C342-K369 PolarHBondContact N-O 3.02Å; K369-E405 CarbonylContact C-O 3.56Å; K369-E405 WeakPolarHBondContact CA-O 3.34Å; K369-E405 HydrophobicContact CB-CB 4.45Å; K369-E405 WeakPolarHBondContact CD-OE2 3.11Å; K369-E405 WeakPolarHBondContact CE-OE1 3.31Å; K369-E405 VanDerWaalsContact CE-OE2 3.27Å; K369-E405 WeakPolarHBondContact CE-OE2 3.39Å; K369-E405 HydrophobicContact CG-CB 4.2Å; K369-E405 HydrophobicContact CG-CG 4.37Å; K369-E405 IonicContact NZ-OE1 3.35Å; K369-E405 PolarHBondContact NZ-OE1 3.09Å; K369-E405 IonicContact NZ-OE2 2.79Å; K369-E405 PolarHBondContact NZ-OE2 3.17Å
370	I	90.9	Very high	90.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.7	-178.9	-54.4	-51	0	0	0	110.2	C342 G344 F364 C367 I374 V403 E405 T407	C342-I370 HydrophobicContact CB-CD1 4Å; C342-I370 WeakPolarHBondContact O-CA 3.48Å; G344-I370 VanDerWaalsContact CA-CG2 3.48Å; F364-I370 HydrophobicContact CD1-CD1 3.75Å; F364-I370 HydrophobicContact CE1-CD1 4.2Å; F364-I370 HydrophobicContact CE1-CG2 4.27Å; C367-I370 HydrophobicContact CB-CD1 3.72Å; I370-I374 HydrophobicContact CG1-CD1 4.21Å; I370-I374 HydrophobicContact CG2-CD1 4.46Å; I370-I374 HydrophobicContact CG2-CG1 4.18Å; I370-V403 HydrophobicContact CD1-CG2 4.11Å; I370-V403 HydrophobicContact CG1-CG1 3.99Å; I370-V403 HydrophobicContact CG1-CG2 3.96Å; I370-E405 PolarHBondContact N-O 3.38Å; I370-T407 WeakPolarHBondContact O-CB 3.42Å; I370-T407 WeakPolarHBondContact O-CG2 3.44Å; I370-T407 PolarHBondContact O-N 2.62Å; I370-T407 PolarHBondContact O-OG1 3.07Å
371	T	86.9	Confident	90.7	Very high	29 Å²	29	35.3 Å²	35.3	18%	0.178	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	96.7	176	-58.7	0	0	0	0	108.9	V341 C342 G344 Y347 T407	V341-T371 VanDerWaalsContact CG1-OG1 3.22Å; V341-T371 WeakPolarHBondContact CG1-OG1 3.37Å; C342-T371 PolarHBondContact O-N 3.04Å; G344-T371 PolarHBondContact N-O 3.05Å; Y347-T371 WeakPolarHBondContact CB-O 3.37Å; Y347-T371 HydrophobicContact CD1-CG2 3.72Å; Y347-T371 HydrophobicContact CD2-CG2 4.09Å; Y347-T371 HydrophobicContact CE1-CG2 3.54Å; Y347-T371 HydrophobicContact CE2-CG2 3.92Å; Y347-T371 HydrophobicContact CG-CG2 4Å; T371-T407 VanDerWaalsContact CA-OG1 3.24Å; T371-T407 WeakPolarHBondContact CA-OG1 3.35Å
372	G	86.1	Confident	90.6	Very high	8 Å²	8	39.5 Å²	39.5	8%	0.082	21%	0.21	C	C	.	.	S	Bend	trans	120.5	-163.6	-167.1	0	0	0	0	0	112.5	T407 G408	G372-T407 PolarHBondContact N-OG1 2.95Å; G372-G408 WeakPolarHBondContact O-CA 3.36Å; G372-G408 PolarHBondContact O-N 3.15Å; G372-G408 VanDerWaalsContact O-N 3.09Å
373	D	89.8	Confident	90.5	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.118	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-100.8	163	-170.3	-60.3	-42.1	0	0	0	113.7	L345 G408 H409 T435	L345-D373 HydrophobicContact CB-CB 4.29Å; L345-D373 PolarHBondContact N-O 2.78Å; L345-D373 PolarHBondContact O-N 2.75Å; D373-G408 VanDerWaalsContact OD1-CA 3.22Å; D373-G408 WeakPolarHBondContact OD1-CA 3.41Å; D373-H409 IonicContact OD1-CE1 3.81Å; D373-H409 IonicContact OD1-CG 3.51Å; D373-H409 PolarHBondContact OD1-N 3.18Å; D373-H409 IonicContact OD1-ND1 2.78Å; D373-H409 PolarHBondContact OD1-ND1 2.72Å; D373-H409 IonicContact OD2-CE1 3.47Å; D373-H409 PolarHBondContact OD2-CE1 3.2Å; D373-H409 IonicContact OD2-ND1 3.95Å; D373-H409 PolarHBondContact OD2-ND1 2.93Å; D373-T435 WeakPolarHBondContact OD1-CB 3.43Å; D373-T435 PolarHBondContact OD1-OG1 3.33Å
374	I	95.1	Very high	90.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.8	167.7	-58.2	-175.3	0	0	0	109.3	V356 I370 I376 F400 I406 H409 L410 W411 F425	V356-I374 HydrophobicContact CG2-CG2 4.13Å; I370-I374 HydrophobicContact CG1-CD1 4.21Å; I370-I374 HydrophobicContact CG2-CD1 4.46Å; I370-I374 HydrophobicContact CG2-CG1 4.18Å; I374-I376 HydrophobicContact CG2-CG1 4.44Å; I374-F400 HydrophobicContact CD1-CD1 4.16Å; I374-F400 HydrophobicContact CD1-CE1 3.9Å; I374-F400 HydrophobicContact CG2-CZ 4.32Å; I374-I406 HydrophobicContact CD1-CD1 3.64Å; I374-I406 HydrophobicContact CD1-CG1 3.94Å; I374-I406 HydrophobicContact CG1-CD1 4.33Å; I374-H409 PolarHBondContact N-O 2.88Å; I374-L410 HydrophobicContact CB-CD1 3.81Å; I374-L410 HydrophobicContact CG2-CD1 3.72Å; I374-L410 WeakPolarHBondContact O-CA 3.33Å; I374-W411 PolarHBondContact O-N 2.95Å; I374-F425 HydrophobicContact CD1-CE1 4.04Å; I374-F425 HydrophobicContact CG2-CZ 4.26Å
375	T	94.4	Very high	90.3	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.4	-179.6	-53.3	0	0	0	0	110.1	S355 V356 L377 W411	S355-T375 WeakPolarHBondContact CA-O 3.05Å; S355-T375 WeakPolarHBondContact CB-O 3.47Å; V356-T375 PolarHBondContact N-O 3.27Å; T375-L377 HydrophobicContact CG2-CD1 4.36Å; T375-L377 HydrophobicContact CG2-CD2 3.73Å; T375-L377 HydrophobicContact CG2-CG 3.92Å; T375-W411 CarbonylContact C-O 3.49Å; T375-W411 WeakPolarHBondContact CA-O 3.03Å; T375-W411 HydrophobicContact CG2-CB 4.3Å; T375-W411 HydrophobicContact CG2-CG 4.31Å
376	I	94.6	Very high	90.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.1	179.4	-60.4	175.5	0	0	0	108.4	I374 I381 L397 W411 I412 Q413 W415 F425	I374-I376 HydrophobicContact CG2-CG1 4.44Å; I376-I381 HydrophobicContact CG2-CD1 3.95Å; I376-I381 HydrophobicContact CG2-CG1 4.32Å; I376-L397 HydrophobicContact CD1-CD2 4.2Å; I376-W411 PolarHBondContact N-O 2.63Å; I376-I412 HydrophobicContact CB-CG2 4.31Å; I376-I412 HydrophobicContact CG2-CG2 4.42Å; I376-Q413 PolarHBondContact O-N 3.3Å; I376-W415 HydrophobicContact CD1-CZ3 3.85Å; I376-F425 HydrophobicContact CD1-CE2 4.4Å; I376-F425 HydrophobicContact CD1-CZ 4.37Å
377	L	92.1	Very high	90.2	Very high	36 Å²	36	46.1 Å²	46.1	19%	0.188	23%	0.232	C	C	.	.			trans	-124.7	175.4	-173.2	-55.3	-179.6	0	0	0	110.7	T375 T379 S380 I381 Q413	T375-L377 HydrophobicContact CG2-CD1 4.36Å; T375-L377 HydrophobicContact CG2-CD2 3.73Å; T375-L377 HydrophobicContact CG2-CG 3.92Å; L377-T379 VanDerWaalsContact C-N 3.25Å; L377-T379 PolarHBondContact O-N 2.8Å; L377-S380 PolarHBondContact N-OG 2.85Å; L377-S380 WeakPolarHBondContact O-CA 3.28Å; L377-S380 WeakPolarHBondContact O-CB 3.37Å; L377-S380 PolarHBondContact O-N 3.41Å; L377-S380 PolarHBondContact O-OG 3.48Å; L377-I381 PolarHBondContact O-N 2.67Å; L377-Q413 HydrophobicContact CD2-CB 4.38Å; L377-Q413 HydrophobicContact CD2-CG 4.35Å
378	R	89.8	Confident	90.1	Very high	157 Å²	157	55 Å²	55	59%	0.592	27%	0.271	S	S	*	.	H	α-helix	trans	-53.8	-40.6	173.8	-171.4	152.9	-166.5	79	-4.8	113.7	S380 I381 H382 D414	R378-S380 VanDerWaalsContact C-N 3.29Å; R378-S380 PolarHBondContact O-N 3.07Å; R378-I381 PolarHBondContact O-N 3.07Å; R378-H382 PolarHBondContact NH1-NE2 3.24Å; R378-H382 WeakPolarHBondContact O-CB 3.33Å; R378-H382 PolarHBondContact O-N 2.8Å; R378-D414 WeakPolarHBondContact CA-OD2 3.4Å; R378-D414 HydrophobicContact CB-CB 4.32Å; R378-D414 WeakPolarHBondContact CB-OD2 3.48Å; R378-D414 WeakPolarHBondContact CG-OD2 3.48Å; R378-D414 IonicContact CZ-OD2 2.64Å; R378-D414 IonicContact NH1-OD1 3.67Å; R378-D414 IonicContact NH1-OD2 3.54Å; R378-D414 PolarHBondContact NH1-OD2 2.83Å
379	T	89.6	Confident	90.1	Very high	58 Å²	58	55 Å²	55	36%	0.356	27%	0.271	S	S	.	.	H	α-helix	trans	-69.9	-21.8	175	46.6	0	0	0	0	113.8	L377 G383 D384	L377-T379 VanDerWaalsContact C-N 3.25Å; L377-T379 PolarHBondContact O-N 2.8Å; T379-G383 WeakPolarHBondContact CA-O 3.28Å; T379-G383 CarbonylContact O-C 3.5Å; T379-G383 VanDerWaalsContact O-CA 3.25Å; T379-G383 WeakPolarHBondContact O-CA 3.08Å; T379-G383 PolarHBondContact O-N 2.98Å; T379-G383 VanDerWaalsContact O-N 3.15Å; T379-D384 HydrophobicContact CG2-CB 4.12Å
380	S	90.3	Very high	90.3	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-46.1	171.7	-55.2	0	0	0	0	111.4	S355 V356 L377 R378 M392	S355-S380 WeakPolarHBondContact CB-OG 3.32Å; S355-S380 PolarHBondContact OG-OG 3.45Å; V356-S380 WeakPolarHBondContact O-CB 3.29Å; V356-S380 PolarHBondContact O-OG 2.87Å; L377-S380 PolarHBondContact N-OG 2.85Å; L377-S380 WeakPolarHBondContact O-CA 3.28Å; L377-S380 WeakPolarHBondContact O-CB 3.37Å; L377-S380 PolarHBondContact O-N 3.41Å; L377-S380 PolarHBondContact O-OG 3.48Å; R378-S380 VanDerWaalsContact C-N 3.29Å; R378-S380 PolarHBondContact O-N 3.07Å; S380-M392 WeakPolarHBondContact O-CB 3.35Å
381	I	92.6	Very high	90.4	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.051	31%	0.312	C	S	.	.	H	α-helix	trans	-86.3	-46.2	-173.7	-53.8	-52.7	0	0	0	111.3	I376 L377 R378 K391 M392 L397 D414 P416	I376-I381 HydrophobicContact CG2-CD1 3.95Å; I376-I381 HydrophobicContact CG2-CG1 4.32Å; L377-I381 PolarHBondContact O-N 2.67Å; R378-I381 PolarHBondContact O-N 3.07Å; I381-K391 WeakPolarHBondContact O-CG 3.23Å; I381-M392 PolarHBondContact O-N 3.44Å; I381-L397 HydrophobicContact CD1-CD1 4.44Å; I381-D414 HydrophobicContact CG1-CB 4.37Å; I381-P416 HydrophobicContact CD1-CG 4.12Å; I381-P416 HydrophobicContact CG2-CG 4.25Å
382	H	92.1	Very high	90.6	Very high	97 Å²	97	61.6 Å²	61.6	45%	0.449	31%	0.305	S	S	.	.	H	α-helix	trans	-86.7	-11.3	-175.8	-69	-90	0	0	0	114.2	R378 D414	R378-H382 PolarHBondContact NH1-NE2 3.24Å; R378-H382 WeakPolarHBondContact O-CB 3.33Å; R378-H382 PolarHBondContact O-N 2.8Å; H382-D414 IonicContact CD2-OD2 2.75Å
383	G	89.3	Confident	91	Very high	10 Å²	10	67.4 Å²	67.4	10%	0.103	33%	0.33	C	S	.	.			trans	83.7	178.3	-169.9	0	0	0	0	0	112.6	T379 T389	T379-G383 WeakPolarHBondContact CA-O 3.28Å; T379-G383 CarbonylContact O-C 3.5Å; T379-G383 VanDerWaalsContact O-CA 3.25Å; T379-G383 WeakPolarHBondContact O-CA 3.08Å; T379-G383 PolarHBondContact O-N 2.98Å; T379-G383 VanDerWaalsContact O-N 3.15Å; G383-T389 WeakPolarHBondContact CA-O 3.22Å
384	D	90.2	Very high	91	Very high	39 Å²	39	68.5 Å²	68.5	21%	0.209	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-137.7	113.5	174.2	174.2	25.1	0	0	0	110.6	T379 Y386 T387 K388 T389	T379-D384 HydrophobicContact CG2-CB 4.12Å; D384-Y386 PolarHBondContact O-N 3.5Å; D384-Y386 WeakPolarHBondContact OD1-CB 3.24Å; D384-Y386 PolarHBondContact OD1-N 2.8Å; D384-T387 WeakPolarHBondContact OD2-CG2 3.44Å; D384-T387 PolarHBondContact OD2-N 3.09Å; D384-T387 PolarHBondContact OD2-OG1 2.58Å; D384-K388 CarbonylContact O-C 3.38Å; D384-K388 WeakPolarHBondContact O-CA 3.3Å; D384-K388 PolarHBondContact O-N 2.81Å; D384-K388 VanDerWaalsContact O-N 3.14Å; D384-T389 PolarHBondContact N-O 2.86Å; D384-T389 PolarHBondContact O-N 3.34Å
385	P	88.1	Confident	90.9	Very high	123 Å²	123	71.9 Å²	71.9	80%	0.799	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.1	174.1	-24.5	35.1	0	0	0	114.4	K388	P385-K388 PolarHBondContact O-N 3.17Å
386	Y	88.6	Confident	90.8	Very high	210 Å²	210	74.6 Å²	74.6	82%	0.824	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-50.9	-176.2	-178.5	-99.5	0	0	0	111.8	D384 K388	D384-Y386 PolarHBondContact O-N 3.5Å; D384-Y386 WeakPolarHBondContact OD1-CB 3.24Å; D384-Y386 PolarHBondContact OD1-N 2.8Å; Y386-K388 PolarHBondContact O-N 3.05Å
387	T	84.8	Confident	90.8	Very high	84 Å²	84	74.6 Å²	74.6	52%	0.515	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4	171.3	59.7	0	0	0	0	114	D384 T389	D384-T387 WeakPolarHBondContact OD2-CG2 3.44Å; D384-T387 PolarHBondContact OD2-N 3.09Å; D384-T387 PolarHBondContact OD2-OG1 2.58Å; T387-T389 PolarHBondContact O-N 3.49Å; T387-T389 WeakPolarHBondContact OG1-CB 3.33Å; T387-T389 PolarHBondContact OG1-OG1 2.81Å
388	K	89.3	Confident	90.9	Very high	187 Å²	187	75.9 Å²	75.9	81%	0.813	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	28.5	-171.9	-54.4	179.9	-177.7	176.9	0	113.2	D384 P385 Y386	D384-K388 CarbonylContact O-C 3.38Å; D384-K388 WeakPolarHBondContact O-CA 3.3Å; D384-K388 PolarHBondContact O-N 2.81Å; D384-K388 VanDerWaalsContact O-N 3.14Å; P385-K388 PolarHBondContact O-N 3.17Å; Y386-K388 PolarHBondContact O-N 3.05Å
389	T	89.1	Confident	91.1	Very high	13 Å²	13	69.7 Å²	69.7	8%	0.08	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-78.2	121.8	179.6	-65.7	0	0	0	0	109.6	N357 G383 D384 T387	N357-T389 HydrophobicContact CB-CG2 3.76Å; G383-T389 WeakPolarHBondContact CA-O 3.22Å; D384-T389 PolarHBondContact N-O 2.86Å; D384-T389 PolarHBondContact O-N 3.34Å; T387-T389 PolarHBondContact O-N 3.49Å; T387-T389 WeakPolarHBondContact OG1-CB 3.33Å; T387-T389 PolarHBondContact OG1-OG1 2.81Å
390	P	93.2	Very high	91.4	Very high	75 Å²	75	66.9 Å²	66.9	49%	0.487	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-69.5	161.7	-179.2	28.3	-33	0	0	0	111.9	A358	A358-P390 HydrophobicContact CB-CG 3.98Å; A358-P390 WeakPolarHBondContact CB-O 3.44Å
391	K	92.3	Very high	91.6	Very high	146 Å²	146	69.7 Å²	69.7	64%	0.635	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-58.1	138	171.4	-169.6	-172.2	177.4	-174.4	0	110.3	I381	I381-K391 WeakPolarHBondContact O-CG 3.23Å
392	M	92.1	Very high	91.5	Very high	7 Å²	7	70.8 Å²	70.8	3%	0.034	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-80.8	137.4	174.7	-172.5	-176.1	-69	0	0	110.7	V356 N357 A358 I361 S380 I381 Q396 L397	V356-M392 HydrophobicContact CG1-CE 4.31Å; N357-M392 VanDerWaalsContact C-CE 3.41Å; A358-M392 HydrophobicContact CB-CB 4.22Å; I361-M392 HydrophobicContact CB-CE 4.33Å; I361-M392 HydrophobicContact CD1-CE 4.36Å; I361-M392 HydrophobicContact CG1-CE 4.46Å; S380-M392 WeakPolarHBondContact O-CB 3.35Å; I381-M392 PolarHBondContact O-N 3.44Å; M392-Q396 HydrophobicContact CG-CB 4.1Å; M392-Q396 VanDerWaalsContact CG-OE1 3.23Å; M392-L397 HydrophobicContact SD-CD2 3.6Å; M392-L397 HydrophobicContact SD-CG 3.94Å
393	E	92.9	Very high	91.6	Very high	130 Å²	130	66.2 Å²	66.2	61%	0.607	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-81.2	137	168.9	-67.3	-175.6	164.9	0	0	109.7	A395 Q396	E393-A395 PolarHBondContact O-N 3.38Å; E393-A395 VanDerWaalsContact O-N 3.11Å; E393-Q396 HydrophobicContact CB-CG 4.11Å; E393-Q396 VanDerWaalsContact O-CB 3.31Å; E393-Q396 WeakPolarHBondContact O-CB 3.22Å; E393-Q396 PolarHBondContact O-N 3.32Å
394	P	91.6	Very high	91.7	Very high	45 Å²	45	71 Å²	71	29%	0.292	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-55.8	-35.9	-176.5	-25.9	34.5	0	0	0	113.4	Q396 L397 P416 S418 M419	P394-Q396 PolarHBondContact O-N 2.77Å; P394-Q396 VanDerWaalsContact O-N 3.16Å; P394-L397 WeakPolarHBondContact O-CB 3.35Å; P394-L397 PolarHBondContact O-N 3.46Å; P394-L397 VanDerWaalsContact O-N 3.13Å; P394-P416 HydrophobicContact CB-CB 3.91Å; P394-P416 HydrophobicContact CB-CG 4.02Å; P394-P416 HydrophobicContact CG-CB 3.83Å; P394-P416 HydrophobicContact CG-CG 4.22Å; P394-S418 WeakPolarHBondContact CG-OG 3.4Å; P394-M419 HydrophobicContact CB-CE 4.02Å; P394-M419 HydrophobicContact CB-SD 4.24Å; P394-M419 VanDerWaalsContact O-CE 3.23Å; P394-M419 WeakPolarHBondContact O-CE 3.03Å
395	A	91.8	Very high	91.8	Very high	72 Å²	72	70.4 Å²	70.4	60%	0.595	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-64.4	-14.4	177.2	0	0	0	0	0	114.3	E393 L397	E393-A395 PolarHBondContact O-N 3.38Å; E393-A395 VanDerWaalsContact O-N 3.11Å; A395-L397 VanDerWaalsContact C-N 3.31Å
396	Q	93.3	Very high	92	Very high	66 Å²	66	64.6 Å²	64.6	31%	0.308	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-74.2	-22.6	174.6	-64.8	175.6	-44	0	0	112.4	I361 M392 E393 P394 D398 V399	I361-Q396 HydrophobicContact CG1-CB 4.23Å; I361-Q396 WeakPolarHBondContact CG1-O 3.33Å; I361-Q396 HydrophobicContact CG2-CB 4.37Å; M392-Q396 HydrophobicContact CG-CB 4.1Å; M392-Q396 VanDerWaalsContact CG-OE1 3.23Å; E393-Q396 HydrophobicContact CB-CG 4.11Å; E393-Q396 VanDerWaalsContact O-CB 3.31Å; E393-Q396 WeakPolarHBondContact O-CB 3.22Å; E393-Q396 PolarHBondContact O-N 3.32Å; P394-Q396 PolarHBondContact O-N 2.77Å; P394-Q396 VanDerWaalsContact O-N 3.16Å; Q396-D398 VanDerWaalsContact C-N 3.27Å; Q396-D398 PolarHBondContact O-N 2.92Å; Q396-V399 WeakPolarHBondContact O-CB 3.46Å; Q396-V399 WeakPolarHBondContact O-CG1 3.35Å; Q396-V399 PolarHBondContact O-N 3.43Å
397	L	94.3	Very high	91.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-67.8	-27.1	176.9	-66.7	170.9	0	0	0	112.5	I376 I381 M392 P394 A395 V399 F400 W415 P416 M419 P424	I376-L397 HydrophobicContact CD1-CD2 4.2Å; I381-L397 HydrophobicContact CD1-CD1 4.44Å; M392-L397 HydrophobicContact SD-CD2 3.6Å; M392-L397 HydrophobicContact SD-CG 3.94Å; P394-L397 WeakPolarHBondContact O-CB 3.35Å; P394-L397 PolarHBondContact O-N 3.46Å; P394-L397 VanDerWaalsContact O-N 3.13Å; A395-L397 VanDerWaalsContact C-N 3.31Å; L397-V399 PolarHBondContact O-N 3.38Å; L397-F400 HydrophobicContact CD2-CD2 4.48Å; L397-F400 HydrophobicContact CD2-CE2 4.25Å; L397-F400 WeakPolarHBondContact O-CD2 3.44Å; L397-F400 PolarHBondContact O-N 2.8Å; L397-W415 HydrophobicContact CD1-CE3 4.39Å; L397-W415 HydrophobicContact CD1-CH2 3.92Å; L397-W415 HydrophobicContact CD1-CZ2 4.25Å; L397-W415 HydrophobicContact CD1-CZ3 4Å; L397-P416 HydrophobicContact CD1-CG 3.79Å; L397-M419 HydrophobicContact CD1-SD 4.19Å; L397-P424 HydrophobicContact CB-CB 4.2Å; L397-P424 HydrophobicContact CB-CG 3.92Å; L397-P424 WeakPolarHBondContact O-CB 3.35Å
398	D	94.3	Very high	91.9	Very high	63 Å²	63	51 Å²	51	34%	0.337	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-56.7	-14.4	177.6	-95.5	19.9	0	0	0	113.8	Q396 F400 K401	Q396-D398 VanDerWaalsContact C-N 3.27Å; Q396-D398 PolarHBondContact O-N 2.92Å; D398-F400 PolarHBondContact O-N 3.34Å; D398-F400 VanDerWaalsContact O-N 3.16Å; D398-K401 HydrophobicContact CB-CD 4.23Å; D398-K401 WeakPolarHBondContact O-CB 3.22Å; D398-K401 PolarHBondContact O-N 3.4Å; D398-K401 WeakPolarHBondContact OD1-CE 3.47Å; D398-K401 IonicContact OD1-NZ 3.37Å; D398-K401 PolarHBondContact OD1-NZ 2.91Å; D398-K401 IonicContact OD2-NZ 2.62Å; D398-K401 PolarHBondContact OD2-NZ 3.48Å
399	V	94.1	Very high	91.9	Very high	27 Å²	27	42.6 Å²	42.6	16%	0.164	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-50.5	-35	168.1	81	0	0	0	0	112.4	I361 F364 K365 Q396 L397 K401 T402	I361-V399 HydrophobicContact CD1-CG1 3.57Å; I361-V399 HydrophobicContact CG1-CG1 3.91Å; F364-V399 VanDerWaalsContact C-CG2 3.48Å; F364-V399 HydrophobicContact CB-CG1 4.04Å; F364-V399 HydrophobicContact CB-CG2 4.15Å; K365-V399 VanDerWaalsContact CA-CG2 3.44Å; K365-V399 HydrophobicContact CB-CG2 4.1Å; Q396-V399 WeakPolarHBondContact O-CB 3.46Å; Q396-V399 WeakPolarHBondContact O-CG1 3.35Å; Q396-V399 PolarHBondContact O-N 3.43Å; L397-V399 PolarHBondContact O-N 3.38Å; V399-K401 VanDerWaalsContact C-N 3.3Å; V399-K401 PolarHBondContact O-N 2.85Å; V399-T402 PolarHBondContact O-OG1 2.88Å
400	F	95.6	Very high	92.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-74.9	-13.1	-178.3	-65.3	-57.3	0	0	0	114.1	V356 I361 F364 I374 L397 D398 T402 V403 P424 F425	V356-F400 HydrophobicContact CG1-CE2 4.36Å; V356-F400 HydrophobicContact CG1-CZ 4Å; V356-F400 HydrophobicContact CG2-CZ 4.29Å; I361-F400 HydrophobicContact CD1-CD2 4.49Å; I361-F400 HydrophobicContact CD1-CE2 3.61Å; I361-F400 HydrophobicContact CD1-CZ 3.8Å; F364-F400 HydrophobicContact CB-CD1 4.44Å; F364-F400 HydrophobicContact CB-CE1 3.88Å; F364-F400 AromaticContact CD1-CE1 3.79Å; F364-F400 HydrophobicContact CD1-CE1 3.79Å; F364-F400 HydrophobicContact CD2-CE1 4.17Å; F364-F400 HydrophobicContact CD2-CZ 4.19Å; F364-F400 HydrophobicContact CE1-CE1 4.39Å; F364-F400 AromaticContact CG-CE1 3.66Å; F364-F400 HydrophobicContact CG-CE1 3.66Å; F364-F400 HydrophobicContact CG-CZ 4.15Å; I374-F400 HydrophobicContact CD1-CD1 4.16Å; I374-F400 HydrophobicContact CD1-CE1 3.9Å; I374-F400 HydrophobicContact CG2-CZ 4.32Å; L397-F400 HydrophobicContact CD2-CD2 4.48Å; L397-F400 HydrophobicContact CD2-CE2 4.25Å; L397-F400 WeakPolarHBondContact O-CD2 3.44Å; L397-F400 PolarHBondContact O-N 2.8Å; D398-F400 PolarHBondContact O-N 3.34Å; D398-F400 VanDerWaalsContact O-N 3.16Å; F400-T402 PolarHBondContact O-N 2.9Å; F400-V403 HydrophobicContact CD1-CG2 4.09Å; F400-V403 WeakPolarHBondContact O-CB 3.49Å; F400-V403 PolarHBondContact O-N 3.03Å; F400-P424 CarbonylContact C-O 3.59Å; F400-P424 HydrophobicContact CB-CB 4.39Å; F400-P424 WeakPolarHBondContact CB-O 3.39Å; F400-F425 HydrophobicContact CB-CD1 3.94Å; F400-F425 HydrophobicContact CB-CE1 3.6Å; F400-F425 HydrophobicContact CB-CZ 4.04Å; F400-F425 HydrophobicContact CD1-CE1 4Å; F400-F425 HydrophobicContact CD1-CZ 4.41Å; F400-F425 AromaticContact CD2-CE1 4Å; F400-F425 HydrophobicContact CD2-CE1 4Å; F400-F425 HydrophobicContact CD2-CE2 4.43Å; F400-F425 AromaticContact CD2-CZ 3.66Å; F400-F425 HydrophobicContact CD2-CZ 3.66Å; F400-F425 HydrophobicContact CE2-CZ 4.2Å; F400-F425 HydrophobicContact CG-CD1 4.43Å; F400-F425 AromaticContact CG-CE1 3.6Å; F400-F425 HydrophobicContact CG-CE1 3.6Å; F400-F425 AromaticContact CG-CZ 3.78Å; F400-F425 HydrophobicContact CG-CZ 3.78Å
401	K	93.4	Very high	92.3	Very high	60 Å²	60	39.5 Å²	39.5	26%	0.261	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-60.9	-14.5	177.1	-71	-179.8	168	163.1	0	113.1	D398 V399 P424 N427	D398-K401 HydrophobicContact CB-CD 4.23Å; D398-K401 WeakPolarHBondContact O-CB 3.22Å; D398-K401 PolarHBondContact O-N 3.4Å; D398-K401 WeakPolarHBondContact OD1-CE 3.47Å; D398-K401 IonicContact OD1-NZ 3.37Å; D398-K401 PolarHBondContact OD1-NZ 2.91Å; D398-K401 IonicContact OD2-NZ 2.62Å; D398-K401 PolarHBondContact OD2-NZ 3.48Å; V399-K401 VanDerWaalsContact C-N 3.3Å; V399-K401 PolarHBondContact O-N 2.85Å; K401-P424 VanDerWaalsContact CA-O 3.3Å; K401-P424 WeakPolarHBondContact CA-O 3.49Å; K401-P424 PolarHBondContact N-O 2.96Å; K401-N427 PolarHBondContact O-ND2 2.91Å
402	T	91.8	Very high	92.5	Very high	33 Å²	33	32.6 Å²	32.6	20%	0.202	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-88.3	-14	176.4	64.4	0	0	0	0	113.9	L337 C367 T368 V399 F400	L337-T402 HydrophobicContact CD1-CG2 3.38Å; C367-T402 PolarHBondContact N-OG1 3.36Å; C367-T402 CarbonylContact O-C 3.57Å; C367-T402 VanDerWaalsContact O-C 3.29Å; C367-T402 PolarHBondContact O-OG1 3.44Å; T368-T402 WeakPolarHBondContact CA-O 3.37Å; V399-T402 PolarHBondContact O-OG1 2.88Å; F400-T402 PolarHBondContact O-N 2.9Å
403	V	93.8	Very high	92.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.184	C	C	.	.			trans	-79.8	128.5	-177.5	179.7	0	0	0	0	111.4	C367 I370 F400 I406 N427 L428	C367-V403 WeakPolarHBondContact O-CA 3.35Å; C367-V403 WeakPolarHBondContact O-CG2 3.46Å; C367-V403 PolarHBondContact O-N 2.89Å; I370-V403 HydrophobicContact CD1-CG2 4.11Å; I370-V403 HydrophobicContact CG1-CG1 3.99Å; I370-V403 HydrophobicContact CG1-CG2 3.96Å; F400-V403 HydrophobicContact CD1-CG2 4.09Å; F400-V403 WeakPolarHBondContact O-CB 3.49Å; F400-V403 PolarHBondContact O-N 3.03Å; V403-I406 HydrophobicContact CG1-CG1 4.07Å; V403-N427 CarbonylContact O-C 3.59Å; V403-L428 HydrophobicContact CG1-CD1 4.18Å; V403-L428 WeakPolarHBondContact O-CA 3.23Å; V403-L428 PolarHBondContact O-N 2.88Å
404	R	91.6	Very high	92.4	Very high	111 Å²	111	30.6 Å²	30.6	42%	0.419	16%	0.16	S	C	.	.			trans	-110	-26.6	172.4	-64.9	175.7	-179	-97.8	8.9	113.2	N335 T368 E429 I430	N335-R404 PolarHBondContact O-NH2 3.32Å; N335-R404 VanDerWaalsContact O-NH2 3.09Å; T368-R404 PolarHBondContact O-N 3.03Å; R404-E429 HydrophobicContact CB-CG 4.3Å; R404-E429 VanDerWaalsContact CD-OE1 3.3Å; R404-E429 WeakPolarHBondContact CD-OE1 3.27Å; R404-E429 IonicContact CZ-OE1 2.68Å; R404-E429 IonicContact NE-OE1 3.15Å; R404-E429 IonicContact NH1-OE1 2.8Å; R404-E429 PolarHBondContact NH1-OE1 2.97Å; R404-E429 WeakPolarHBondContact O-CA 3.42Å; R404-E429 WeakPolarHBondContact O-CB 3.39Å; R404-E429 PolarHBondContact O-N 3.49Å; R404-I430 PolarHBondContact O-N 2.03Å; R404-I430 VanDerWaalsContact O-N 3.15Å
405	E	91.6	Very high	92.6	Very high	26 Å²	26	29.1 Å²	29.1	12%	0.121	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.3	-177.4	-176	-176.6	163.2	0	0	112	T368 K369 I370 I430 R432	T368-E405 PolarHBondContact O-N 3.32Å; T368-E405 VanDerWaalsContact O-N 3.15Å; K369-E405 CarbonylContact C-O 3.56Å; K369-E405 WeakPolarHBondContact CA-O 3.34Å; K369-E405 HydrophobicContact CB-CB 4.45Å; K369-E405 WeakPolarHBondContact CD-OE2 3.11Å; K369-E405 WeakPolarHBondContact CE-OE1 3.31Å; K369-E405 VanDerWaalsContact CE-OE2 3.27Å; K369-E405 WeakPolarHBondContact CE-OE2 3.39Å; K369-E405 HydrophobicContact CG-CB 4.2Å; K369-E405 HydrophobicContact CG-CG 4.37Å; K369-E405 IonicContact NZ-OE1 3.35Å; K369-E405 PolarHBondContact NZ-OE1 3.09Å; K369-E405 IonicContact NZ-OE2 2.79Å; K369-E405 PolarHBondContact NZ-OE2 3.17Å; I370-E405 PolarHBondContact N-O 3.38Å; E405-I430 WeakPolarHBondContact CA-O 3.46Å; E405-I430 HydrophobicContact CG-CB 4.46Å; E405-R432 IonicContact OE1-CZ 2.73Å; E405-R432 IonicContact OE1-NE 2.65Å; E405-R432 PolarHBondContact OE1-NE 2.79Å; E405-R432 IonicContact OE1-NH2 3.39Å; E405-R432 PolarHBondContact OE1-NH2 3.31Å; E405-R432 IonicContact OE2-NH2 2.69Å
406	I	93.3	Very high	92.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.6	165.3	-62.8	167.5	0	0	0	107.8	I374 V403 L410 L428 I430 I431 R432	I374-I406 HydrophobicContact CD1-CD1 3.64Å; I374-I406 HydrophobicContact CD1-CG1 3.94Å; I374-I406 HydrophobicContact CG1-CD1 4.33Å; V403-I406 HydrophobicContact CG1-CG1 4.07Å; I406-L410 HydrophobicContact CD1-CB 4.26Å; I406-L410 HydrophobicContact CD1-CD1 4.44Å; I406-L410 HydrophobicContact CD1-CD2 4.29Å; I406-L428 HydrophobicContact CB-CD1 4.42Å; I406-L428 HydrophobicContact CD1-CD1 3.81Å; I406-L428 HydrophobicContact CD1-CD2 3.8Å; I406-L428 HydrophobicContact CD1-CG 4.5Å; I406-L428 HydrophobicContact CG1-CD1 3.77Å; I406-I430 PolarHBondContact N-O 2.83Å; I406-I431 CarbonylContact O-C 3.41Å; I406-I431 WeakPolarHBondContact O-CA 3.44Å; I406-R432 PolarHBondContact O-N 2.92Å
407	T	86.6	Confident	92.4	Very high	10 Å²	10	31 Å²	31	6%	0.061	15%	0.146	C	C	.	.	S	Bend	trans	-85.6	-27.8	-179.2	56.3	0	0	0	0	113.5	I370 T371 G372 G433 R434	I370-T407 WeakPolarHBondContact O-CB 3.42Å; I370-T407 WeakPolarHBondContact O-CG2 3.44Å; I370-T407 PolarHBondContact O-N 2.62Å; I370-T407 PolarHBondContact O-OG1 3.07Å; T371-T407 VanDerWaalsContact CA-OG1 3.24Å; T371-T407 WeakPolarHBondContact CA-OG1 3.35Å; G372-T407 PolarHBondContact N-OG1 2.95Å; T407-G433 PolarHBondContact O-N 2.99Å; T407-R434 VanDerWaalsContact O-CB 3.29Å; T407-R434 WeakPolarHBondContact O-CB 3.46Å; T407-R434 WeakPolarHBondContact O-CG 3.03Å; T407-R434 PolarHBondContact O-N 3.27Å
408	G	85	Confident	92.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-93.3	-138	174.9	0	0	0	0	0	113.4	G372 D373 G433 T435	G372-G408 WeakPolarHBondContact O-CA 3.36Å; G372-G408 PolarHBondContact O-N 3.15Å; G372-G408 VanDerWaalsContact O-N 3.09Å; D373-G408 VanDerWaalsContact OD1-CA 3.22Å; D373-G408 WeakPolarHBondContact OD1-CA 3.41Å; G408-G433 WeakPolarHBondContact O-CA 3.35Å; G408-G433 PolarHBondContact O-N 3.14Å; G408-T435 CarbonylContact C-O 3.57Å; G408-T435 WeakPolarHBondContact CA-OG1 3.46Å
409	H	89.1	Confident	92.1	Very high	10 Å²	10	34 Å²	34	5%	0.046	17%	0.169	C	C	.	.			trans	-108.9	156.8	177	72.4	-70.7	0	0	0	113.2	D373 I374 W411 T435 R437 S441	D373-H409 IonicContact OD1-CE1 3.81Å; D373-H409 IonicContact OD1-CG 3.51Å; D373-H409 PolarHBondContact OD1-N 3.18Å; D373-H409 IonicContact OD1-ND1 2.78Å; D373-H409 PolarHBondContact OD1-ND1 2.72Å; D373-H409 IonicContact OD2-CE1 3.47Å; D373-H409 PolarHBondContact OD2-CE1 3.2Å; D373-H409 IonicContact OD2-ND1 3.95Å; D373-H409 PolarHBondContact OD2-ND1 2.93Å; I374-H409 PolarHBondContact N-O 2.88Å; H409-W411 AromaticContact CD2-CE3 3.98Å; H409-T435 PolarHBondContact N-O 3.33Å; H409-R437 WeakPolarHBondContact NE2-CB 3.39Å; H409-S441 VanDerWaalsContact CA-O 3.28Å; H409-S441 WeakPolarHBondContact CA-O 3.27Å; H409-S441 VanDerWaalsContact CB-O 3.31Å; H409-S441 WeakPolarHBondContact CB-O 3.4Å
410	L	95.6	Very high	92	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.5	173.1	177.3	60	0	0	0	109.5	I374 I406 I412 F425 L428 I431 S441 L442 V443	I374-L410 HydrophobicContact CB-CD1 3.81Å; I374-L410 HydrophobicContact CG2-CD1 3.72Å; I374-L410 WeakPolarHBondContact O-CA 3.33Å; I406-L410 HydrophobicContact CD1-CB 4.26Å; I406-L410 HydrophobicContact CD1-CD1 4.44Å; I406-L410 HydrophobicContact CD1-CD2 4.29Å; L410-I412 HydrophobicContact CD1-CD1 4.29Å; L410-I412 HydrophobicContact CD1-CG1 4.21Å; L410-I412 HydrophobicContact CG-CD1 4.46Å; L410-I412 HydrophobicContact CG-CG1 4.44Å; L410-F425 HydrophobicContact CD1-CE1 4.27Å; L410-F425 HydrophobicContact CD1-CE2 4.39Å; L410-F425 HydrophobicContact CD1-CZ 3.99Å; L410-L428 HydrophobicContact CD2-CD2 4.1Å; L410-I431 HydrophobicContact CB-CD1 4.29Å; L410-I431 HydrophobicContact CD2-CD1 4.38Å; L410-S441 PolarHBondContact N-O 3.45Å; L410-L442 HydrophobicContact CB-CD1 4Å; L410-L442 HydrophobicContact CD2-CD1 3.91Å; L410-L442 HydrophobicContact CG-CD1 4.01Å; L410-L442 CarbonylContact O-C 3.36Å; L410-L442 WeakPolarHBondContact O-CA 3.17Å; L410-V443 PolarHBondContact O-N 3.13Å
411	W	94.4	Very high	91.9	Very high	23 Å²	23	36.5 Å²	36.5	9%	0.087	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	112.8	-171	-175	-72.4	0	0	0	111	I374 T375 I376 H409 Q413 R437 R440 V443	I374-W411 PolarHBondContact O-N 2.95Å; T375-W411 CarbonylContact C-O 3.49Å; T375-W411 WeakPolarHBondContact CA-O 3.03Å; T375-W411 HydrophobicContact CG2-CB 4.3Å; T375-W411 HydrophobicContact CG2-CG 4.31Å; I376-W411 PolarHBondContact N-O 2.63Å; H409-W411 AromaticContact CD2-CE3 3.98Å; W411-Q413 VanDerWaalsContact NE1-CG 3.32Å; W411-R437 HydrophobicContact CE3-CB 3.91Å; W411-R437 HydrophobicContact CE3-CG 4.3Å; W411-R437 HydrophobicContact CH2-CB 4.47Å; W411-R437 HydrophobicContact CH2-CG 4.15Å; W411-R437 HydrophobicContact CZ3-CB 3.67Å; W411-R437 HydrophobicContact CZ3-CG 3.84Å; W411-R440 HydrophobicContact CZ3-CB 4.48Å; W411-V443 HydrophobicContact CD2-CB 3.89Å; W411-V443 HydrophobicContact CD2-CG1 4.22Å; W411-V443 HydrophobicContact CD2-CG2 4.11Å; W411-V443 HydrophobicContact CE3-CB 3.72Å; W411-V443 HydrophobicContact CE3-CG1 4.28Å; W411-V443 HydrophobicContact CE3-CG2 3.4Å; W411-V443 HydrophobicContact CG-CB 4.31Å; W411-V443 HydrophobicContact CH2-CG2 4.31Å; W411-V443 HydrophobicContact CZ3-CB 4.2Å; W411-V443 HydrophobicContact CZ3-CG1 4.46Å; W411-V443 HydrophobicContact CZ3-CG2 3.53Å
412	I	95.8	Very high	92	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.2	-175.3	-48.1	-179.4	0	0	0	109.3	I376 L410 D414 W415 L422 F425 V443 T445 L447	I376-I412 HydrophobicContact CB-CG2 4.31Å; I376-I412 HydrophobicContact CG2-CG2 4.42Å; L410-I412 HydrophobicContact CD1-CD1 4.29Å; L410-I412 HydrophobicContact CD1-CG1 4.21Å; L410-I412 HydrophobicContact CG-CD1 4.46Å; L410-I412 HydrophobicContact CG-CG1 4.44Å; I412-D414 WeakPolarHBondContact CG2-O 3.49Å; I412-W415 HydrophobicContact CD1-CZ3 4.16Å; I412-W415 HydrophobicContact CG2-CE3 3.77Å; I412-W415 HydrophobicContact CG2-CZ3 4.34Å; I412-L422 HydrophobicContact CD1-CD1 4.02Å; I412-L422 HydrophobicContact CD1-CD2 3.88Å; I412-F425 HydrophobicContact CD1-CE2 4.26Å; I412-V443 PolarHBondContact N-O 3.22Å; I412-T445 PolarHBondContact O-N 2.87Å; I412-T445 VanDerWaalsContact O-N 3.1Å; I412-L447 HydrophobicContact CB-CD1 4.37Å; I412-L447 HydrophobicContact CG2-CD1 3.71Å; I412-L447 HydrophobicContact CG2-CD2 4.28Å
413	Q	91.4	Very high	92.1	Very high	74 Å²	74	33.8 Å²	33.8	35%	0.346	17%	0.171	S	C	.	.	S	Bend	trans	-123.2	-3.6	179.3	-61.2	-168.6	-92.7	0	0	114.2	I376 L377 W411 T445	I376-Q413 PolarHBondContact O-N 3.3Å; L377-Q413 HydrophobicContact CD2-CB 4.38Å; L377-Q413 HydrophobicContact CD2-CG 4.35Å; W411-Q413 VanDerWaalsContact NE1-CG 3.32Å; Q413-T445 HydrophobicContact CB-CG2 4.36Å; Q413-T445 HydrophobicContact CG-CG2 3.8Å
414	D	93.2	Very high	92.2	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.112	17%	0.17	C	C	.	.			trans	-153.8	150.4	174.7	-149.4	-39.7	0	0	0	108.3	R378 I381 H382 I412	R378-D414 WeakPolarHBondContact CA-OD2 3.4Å; R378-D414 HydrophobicContact CB-CB 4.32Å; R378-D414 WeakPolarHBondContact CB-OD2 3.48Å; R378-D414 WeakPolarHBondContact CG-OD2 3.48Å; R378-D414 IonicContact CZ-OD2 2.64Å; R378-D414 IonicContact NH1-OD1 3.67Å; R378-D414 IonicContact NH1-OD2 3.54Å; R378-D414 PolarHBondContact NH1-OD2 2.83Å; I381-D414 HydrophobicContact CG1-CB 4.37Å; H382-D414 IonicContact CD2-OD2 2.75Å; I412-D414 WeakPolarHBondContact CG2-O 3.49Å
415	W	93.9	Very high	92.4	Very high	14 Å²	14	28.4 Å²	28.4	5%	0.053	15%	0.151	C	C	.	.			trans	-154.6	147.8	-172.9	-163.2	-108.4	0	0	0	111.6	I376 L397 I412 Q417 M419 S421 L422 P424 F425 L447 I449	I376-W415 HydrophobicContact CD1-CZ3 3.85Å; L397-W415 HydrophobicContact CD1-CE3 4.39Å; L397-W415 HydrophobicContact CD1-CH2 3.92Å; L397-W415 HydrophobicContact CD1-CZ2 4.25Å; L397-W415 HydrophobicContact CD1-CZ3 4Å; I412-W415 HydrophobicContact CD1-CZ3 4.16Å; I412-W415 HydrophobicContact CG2-CE3 3.77Å; I412-W415 HydrophobicContact CG2-CZ3 4.34Å; W415-Q417 PolarHBondContact O-N 2.76Å; W415-M419 HydrophobicContact CZ2-SD 4.28Å; W415-M419 PolarHBondContact NE1-O 2.94Å; W415-S421 PolarHBondContact NE1-O 2.76Å; W415-S421 VanDerWaalsContact NE1-O 3.11Å; W415-L422 HydrophobicContact CD2-CD2 3.93Å; W415-L422 HydrophobicContact CE3-CD2 4.13Å; W415-L422 HydrophobicContact CH2-CD2 4.06Å; W415-L422 HydrophobicContact CZ2-CD2 3.86Å; W415-L422 HydrophobicContact CZ3-CD2 4.18Å; W415-P424 HydrophobicContact CH2-CG 4.06Å; W415-P424 HydrophobicContact CZ2-CG 3.99Å; W415-F425 HydrophobicContact CH2-CD2 4.48Å; W415-F425 HydrophobicContact CH2-CE2 4.13Å; W415-F425 HydrophobicContact CZ3-CE2 4.37Å; W415-L447 HydrophobicContact CB-CD1 4.1Å; W415-L447 HydrophobicContact CB-CD2 3.84Å; W415-L447 HydrophobicContact CB-CG 4.39Å; W415-I449 HydrophobicContact CG-CG2 4.47Å
416	P	93.4	Very high	92.5	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.065	15%	0.153	C	C	.	.			trans	-63.6	125.7	179.4	-22.2	34.2	0	0	0	112.8	I381 P394 L397 S418 M419	I381-P416 HydrophobicContact CD1-CG 4.12Å; I381-P416 HydrophobicContact CG2-CG 4.25Å; P394-P416 HydrophobicContact CB-CB 3.91Å; P394-P416 HydrophobicContact CB-CG 4.02Å; P394-P416 HydrophobicContact CG-CB 3.83Å; P394-P416 HydrophobicContact CG-CG 4.22Å; L397-P416 HydrophobicContact CD1-CG 3.79Å; P416-S418 PolarHBondContact O-N 2.9Å; P416-M419 HydrophobicContact CG-SD 4.39Å; P416-M419 PolarHBondContact O-N 3.16Å
417	Q	88	Confident	92.5	Very high	169 Å²	169	31.3 Å²	31.3	79%	0.79	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.9	175.8	-66.1	-176.8	-44.6	0	0	114.6	W415 M419 D448	W415-Q417 PolarHBondContact O-N 2.76Å; Q417-M419 VanDerWaalsContact C-N 3.34Å; Q417-D448 PolarHBondContact NE2-OD2 3.49Å
418	S	89.9	Confident	92.9	Very high	92 Å²	92	30.9 Å²	30.9	64%	0.643	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.5	171.7	49.1	0	0	0	0	114	P394 P416	P394-S418 WeakPolarHBondContact CG-OG 3.4Å; P416-S418 PolarHBondContact O-N 2.9Å
419	M	91.7	Very high	93.3	Very high	33 Å²	33	32.6 Å²	32.6	16%	0.163	17%	0.171	C	C	.	.			trans	-121.7	111.7	-178.1	-71.7	-178.3	160.4	0	0	110.5	P394 L397 W415 P416 Q417 S421 P424	P394-M419 HydrophobicContact CB-CE 4.02Å; P394-M419 HydrophobicContact CB-SD 4.24Å; P394-M419 VanDerWaalsContact O-CE 3.23Å; P394-M419 WeakPolarHBondContact O-CE 3.03Å; L397-M419 HydrophobicContact CD1-SD 4.19Å; W415-M419 HydrophobicContact CZ2-SD 4.28Å; W415-M419 PolarHBondContact NE1-O 2.94Å; P416-M419 HydrophobicContact CG-SD 4.39Å; P416-M419 PolarHBondContact O-N 3.16Å; Q417-M419 VanDerWaalsContact C-N 3.34Å; M419-S421 VanDerWaalsContact C-N 3.28Å; M419-S421 PolarHBondContact O-N 2.61Å; M419-P424 HydrophobicContact CE-CG 4.46Å; M419-P424 HydrophobicContact SD-CG 4.37Å
420	N	92.2	Very high	93.4	Very high	80 Å²	80	33.7 Å²	33.7	43%	0.428	18%	0.177	S	C	.	.	S	Bend	trans	-83.7	6.1	-177.3	68.7	-9.1	0	0	0	114.8	D450	N420-D450 HydrophobicContact CB-CB 4.37Å; N420-D450 PolarHBondContact O-N 3.2Å
421	S	94.8	Very high	93.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-157.8	172.8	178.4	65.7	0	0	0	0	112.7	W415 M419 S423 Y451	W415-S421 PolarHBondContact NE1-O 2.76Å; W415-S421 VanDerWaalsContact NE1-O 3.11Å; M419-S421 VanDerWaalsContact C-N 3.28Å; M419-S421 PolarHBondContact O-N 2.61Å; S421-S423 PolarHBondContact O-N 2.76Å; S421-Y451 VanDerWaalsContact CA-O 3.24Å; S421-Y451 WeakPolarHBondContact CA-O 3.02Å; S421-Y451 WeakPolarHBondContact CB-O 3.41Å; S421-Y451 WeakPolarHBondContact OG-CE2 3.29Å; S421-Y451 VanDerWaalsContact OG-CZ 3.24Å; S421-Y451 PolarHBondContact OG-OH 3.21Å
422	L	95.4	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.			trans	-86.9	35.5	173.8	-48.4	178.9	0	0	0	111.7	I412 W415 P424 F425 V444 L447 I449 L452 L454	I412-L422 HydrophobicContact CD1-CD1 4.02Å; I412-L422 HydrophobicContact CD1-CD2 3.88Å; W415-L422 HydrophobicContact CD2-CD2 3.93Å; W415-L422 HydrophobicContact CE3-CD2 4.13Å; W415-L422 HydrophobicContact CH2-CD2 4.06Å; W415-L422 HydrophobicContact CZ2-CD2 3.86Å; W415-L422 HydrophobicContact CZ3-CD2 4.18Å; L422-P424 VanDerWaalsContact O-N 3.11Å; L422-F425 HydrophobicContact CB-CD2 4.47Å; L422-F425 PolarHBondContact O-N 2.86Å; L422-V444 HydrophobicContact CD1-CG1 4.34Å; L422-V444 HydrophobicContact CD1-CG2 4.11Å; L422-L447 HydrophobicContact CD2-CD1 4.27Å; L422-I449 HydrophobicContact CD2-CD1 4.34Å; L422-I449 HydrophobicContact CG-CD1 4.25Å; L422-L452 WeakPolarHBondContact CA-O 3.24Å; L422-L452 VanDerWaalsContact CB-O 3.28Å; L422-L452 WeakPolarHBondContact CB-O 3.46Å; L422-L452 HydrophobicContact CD1-CD2 4.1Å; L422-L452 PolarHBondContact N-O 3.43Å; L422-L454 HydrophobicContact CB-CD2 4.24Å
423	S	93.1	Very high	92	Very high	35 Å²	35	35.4 Å²	35.4	25%	0.245	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-55.3	-22.5	-179.5	59.8	0	0	0	0	116.1	S421 F425 E426	S421-S423 PolarHBondContact O-N 2.76Å; S423-F425 PolarHBondContact O-N 2.9Å; S423-F425 VanDerWaalsContact O-N 3.12Å; S423-E426 VanDerWaalsContact O-CB 3.32Å; S423-E426 WeakPolarHBondContact O-CB 3.39Å; S423-E426 VanDerWaalsContact O-CG 3.3Å; S423-E426 WeakPolarHBondContact O-CG 3.31Å; S423-E426 PolarHBondContact O-N 2.9Å; S423-E426 VanDerWaalsContact O-N 3.12Å
424	P	95.5	Very high	91.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-58.6	-16.6	165.9	-28.5	38.4	0	0	0	115.2	L397 F400 K401 W415 M419 L422	L397-P424 HydrophobicContact CB-CB 4.2Å; L397-P424 HydrophobicContact CB-CG 3.92Å; L397-P424 WeakPolarHBondContact O-CB 3.35Å; F400-P424 CarbonylContact C-O 3.59Å; F400-P424 HydrophobicContact CB-CB 4.39Å; F400-P424 WeakPolarHBondContact CB-O 3.39Å; K401-P424 VanDerWaalsContact CA-O 3.3Å; K401-P424 WeakPolarHBondContact CA-O 3.49Å; K401-P424 PolarHBondContact N-O 2.96Å; W415-P424 HydrophobicContact CH2-CG 4.06Å; W415-P424 HydrophobicContact CZ2-CG 3.99Å; M419-P424 HydrophobicContact CE-CG 4.46Å; M419-P424 HydrophobicContact SD-CG 4.37Å; L422-P424 VanDerWaalsContact O-N 3.11Å
425	F	96.6	Very high	90.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-110.7	18.6	176.4	-60.4	-78	0	0	0	112.9	I374 I376 F400 L410 I412 W415 L422 S423 N427 L428 L454	I374-F425 HydrophobicContact CD1-CE1 4.04Å; I374-F425 HydrophobicContact CG2-CZ 4.26Å; I376-F425 HydrophobicContact CD1-CE2 4.4Å; I376-F425 HydrophobicContact CD1-CZ 4.37Å; F400-F425 HydrophobicContact CB-CD1 3.94Å; F400-F425 HydrophobicContact CB-CE1 3.6Å; F400-F425 HydrophobicContact CB-CZ 4.04Å; F400-F425 HydrophobicContact CD1-CE1 4Å; F400-F425 HydrophobicContact CD1-CZ 4.41Å; F400-F425 AromaticContact CD2-CE1 4Å; F400-F425 HydrophobicContact CD2-CE1 4Å; F400-F425 HydrophobicContact CD2-CE2 4.43Å; F400-F425 AromaticContact CD2-CZ 3.66Å; F400-F425 HydrophobicContact CD2-CZ 3.66Å; F400-F425 HydrophobicContact CE2-CZ 4.2Å; F400-F425 HydrophobicContact CG-CD1 4.43Å; F400-F425 AromaticContact CG-CE1 3.6Å; F400-F425 HydrophobicContact CG-CE1 3.6Å; F400-F425 AromaticContact CG-CZ 3.78Å; F400-F425 HydrophobicContact CG-CZ 3.78Å; L410-F425 HydrophobicContact CD1-CE1 4.27Å; L410-F425 HydrophobicContact CD1-CE2 4.39Å; L410-F425 HydrophobicContact CD1-CZ 3.99Å; I412-F425 HydrophobicContact CD1-CE2 4.26Å; W415-F425 HydrophobicContact CH2-CD2 4.48Å; W415-F425 HydrophobicContact CH2-CE2 4.13Å; W415-F425 HydrophobicContact CZ3-CE2 4.37Å; L422-F425 HydrophobicContact CB-CD2 4.47Å; L422-F425 PolarHBondContact O-N 2.86Å; S423-F425 PolarHBondContact O-N 2.9Å; S423-F425 VanDerWaalsContact O-N 3.12Å; F425-N427 PolarHBondContact O-N 3.17Å; F425-L428 HydrophobicContact CB-CB 4.3Å; F425-L428 HydrophobicContact CB-CD2 4.42Å; F425-L428 HydrophobicContact CD1-CD2 4.47Å; F425-L428 VanDerWaalsContact O-CB 3.25Å; F425-L428 WeakPolarHBondContact O-CB 3.17Å; F425-L428 PolarHBondContact O-N 2.9Å; F425-L454 HydrophobicContact CB-CD2 3.6Å
426	E	93.8	Very high	89.3	Confident	36 Å²	36	45.2 Å²	45.2	17%	0.168	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.3	-177.2	66.8	-175	158.4	0	0	114.7	S423 R455 S456	S423-E426 VanDerWaalsContact O-CB 3.32Å; S423-E426 WeakPolarHBondContact O-CB 3.39Å; S423-E426 VanDerWaalsContact O-CG 3.3Å; S423-E426 WeakPolarHBondContact O-CG 3.31Å; S423-E426 PolarHBondContact O-N 2.9Å; S423-E426 VanDerWaalsContact O-N 3.12Å; E426-R455 VanDerWaalsContact CD-NH2 3.28Å; E426-R455 WeakPolarHBondContact O-CG 3.46Å; E426-R455 IonicContact OE2-CZ 2.71Å; E426-R455 IonicContact OE2-NH1 3.74Å; E426-R455 PolarHBondContact OE2-NH1 2.77Å; E426-R455 IonicContact OE2-NH2 2.75Å; E426-R455 PolarHBondContact OE2-NH2 2.73Å; E426-S456 VanDerWaalsContact O-CB 3.24Å; E426-S456 WeakPolarHBondContact O-CB 3.22Å; E426-S456 PolarHBondContact O-N 2.72Å; E426-S456 PolarHBondContact O-OG 2.89Å
427	N	93.1	Very high	88.1	Confident	50 Å²	50	50.9 Å²	50.9	27%	0.267	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	5.4	-178.5	-59	-44.3	0	0	0	113.8	K401 V403 F425 E429	K401-N427 PolarHBondContact O-ND2 2.91Å; V403-N427 CarbonylContact O-C 3.59Å; F425-N427 PolarHBondContact O-N 3.17Å; N427-E429 PolarHBondContact O-N 3.05Å
428	L	95.6	Very high	87.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.241	C	C	.	.			trans	-69.5	119.9	176.1	178.6	62.4	0	0	0	109.9	V403 I406 L410 F425 I431 S456 L457	V403-L428 HydrophobicContact CG1-CD1 4.18Å; V403-L428 WeakPolarHBondContact O-CA 3.23Å; V403-L428 PolarHBondContact O-N 2.88Å; I406-L428 HydrophobicContact CB-CD1 4.42Å; I406-L428 HydrophobicContact CD1-CD1 3.81Å; I406-L428 HydrophobicContact CD1-CD2 3.8Å; I406-L428 HydrophobicContact CD1-CG 4.5Å; I406-L428 HydrophobicContact CG1-CD1 3.77Å; L410-L428 HydrophobicContact CD2-CD2 4.1Å; F425-L428 HydrophobicContact CB-CB 4.3Å; F425-L428 HydrophobicContact CB-CD2 4.42Å; F425-L428 HydrophobicContact CD1-CD2 4.47Å; F425-L428 VanDerWaalsContact O-CB 3.25Å; F425-L428 WeakPolarHBondContact O-CB 3.17Å; F425-L428 PolarHBondContact O-N 2.9Å; L428-I431 HydrophobicContact CD2-CD1 4.01Å; L428-I431 HydrophobicContact CD2-CG1 3.91Å; L428-I431 HydrophobicContact CG-CG1 4.42Å; L428-S456 CarbonylContact O-C 3.57Å; L428-L457 HydrophobicContact CG-CD1 4.32Å; L428-L457 WeakPolarHBondContact O-CA 3.36Å; L428-L457 PolarHBondContact O-N 2.91Å
429	E	92.8	Very high	86.7	Confident	37 Å²	37	44.7 Å²	44.7	17%	0.173	23%	0.231	C	C	.	.			trans	-99.8	-37.3	-176.2	-59.1	-173.7	-125.7	0	0	113	R404 N427 S456 K458 E459	R404-E429 HydrophobicContact CB-CG 4.3Å; R404-E429 VanDerWaalsContact CD-OE1 3.3Å; R404-E429 WeakPolarHBondContact CD-OE1 3.27Å; R404-E429 IonicContact CZ-OE1 2.68Å; R404-E429 IonicContact NE-OE1 3.15Å; R404-E429 IonicContact NH1-OE1 2.8Å; R404-E429 PolarHBondContact NH1-OE1 2.97Å; R404-E429 WeakPolarHBondContact O-CA 3.42Å; R404-E429 WeakPolarHBondContact O-CB 3.39Å; R404-E429 PolarHBondContact O-N 3.49Å; N427-E429 PolarHBondContact O-N 3.05Å; E429-S456 WeakPolarHBondContact CA-O 3.47Å; E429-K458 HydrophobicContact CB-CD 4.49Å; E429-K458 PolarHBondContact O-N 3.22Å; E429-K458 IonicContact OE2-NZ 3.43Å; E429-K458 PolarHBondContact OE2-NZ 2.84Å; E429-E459 PolarHBondContact O-N 2.99Å
430	I	90.6	Very high	86.3	Confident	33 Å²	33	48 Å²	48	17%	0.169	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.8	-172.4	-54.1	179.5	0	0	0	111.5	R404 E405 I406 R432 E459	R404-I430 PolarHBondContact O-N 2.03Å; R404-I430 VanDerWaalsContact O-N 3.15Å; E405-I430 WeakPolarHBondContact CA-O 3.46Å; E405-I430 HydrophobicContact CG-CB 4.46Å; I406-I430 PolarHBondContact N-O 2.83Å; I430-R432 HydrophobicContact CG2-CG 3.77Å; I430-E459 WeakPolarHBondContact CA-O 3.21Å; I430-E459 HydrophobicContact CG1-CB 4.19Å; I430-E459 HydrophobicContact CG2-CB 4.21Å; I430-E459 HydrophobicContact CG2-CG 4.46Å
431	I	93.1	Very high	86.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.9	162.9	-58.1	174.4	0	0	0	108	I406 L410 L428 L442 L457 E459 I460 S461	I406-I431 CarbonylContact O-C 3.41Å; I406-I431 WeakPolarHBondContact O-CA 3.44Å; L410-I431 HydrophobicContact CB-CD1 4.29Å; L410-I431 HydrophobicContact CD2-CD1 4.38Å; L428-I431 HydrophobicContact CD2-CD1 4.01Å; L428-I431 HydrophobicContact CD2-CG1 3.91Å; L428-I431 HydrophobicContact CG-CG1 4.42Å; I431-L442 HydrophobicContact CD1-CB 4.45Å; I431-L442 HydrophobicContact CD1-CD1 4.18Å; I431-L442 HydrophobicContact CD1-CD2 4.47Å; I431-L457 HydrophobicContact CD1-CD1 4.45Å; I431-L457 HydrophobicContact CG1-CD1 4.25Å; I431-E459 PolarHBondContact N-O 3Å; I431-I460 HydrophobicContact CB-CG1 4.44Å; I431-I460 CarbonylContact O-C 3.52Å; I431-I460 VanDerWaalsContact O-CA 3.26Å; I431-I460 WeakPolarHBondContact O-CA 3.33Å; I431-S461 PolarHBondContact O-N 3.14Å
432	R	83.6	Confident	86	Confident	58 Å²	58	44.2 Å²	44.2	22%	0.219	22%	0.222	C	C	.	.			trans	-87.6	-18.1	-174.9	-58.2	-160.1	-176.3	-72.7	-6.5	115.8	E405 I406 I430 R434 E459 S461	E405-R432 IonicContact OE1-CZ 2.73Å; E405-R432 IonicContact OE1-NE 2.65Å; E405-R432 PolarHBondContact OE1-NE 2.79Å; E405-R432 IonicContact OE1-NH2 3.39Å; E405-R432 PolarHBondContact OE1-NH2 3.31Å; E405-R432 IonicContact OE2-NH2 2.69Å; I406-R432 PolarHBondContact O-N 2.92Å; I430-R432 HydrophobicContact CG2-CG 3.77Å; R432-R434 HydrophobicContact CB-CG 4.11Å; R432-R434 PolarHBondContact O-N 2.94Å; R432-R434 VanDerWaalsContact O-N 3.15Å; R432-E459 IonicContact NH1-OE1 3.28Å; R432-S461 WeakPolarHBondContact CA-OG 3.28Å
433	G	80.9	Confident	86	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.			trans	56.6	32	179.2	0	0	0	0	0	114	T407 G408 T435 K436	T407-G433 PolarHBondContact O-N 2.99Å; G408-G433 WeakPolarHBondContact O-CA 3.35Å; G408-G433 PolarHBondContact O-N 3.14Å; G433-T435 CarbonylContact C-O 3.55Å; G433-K436 WeakPolarHBondContact O-CD 3.35Å; G433-K436 WeakPolarHBondContact O-CG 3.03Å; G433-K436 PolarHBondContact O-NZ 3.44Å
434	R	74.8	Confident	86	Confident	179 Å²	179	42.8 Å²	42.8	68%	0.675	21%	0.211	S	C	*	.	S	Bend	trans	-65	-49	178.3	-66.7	179	174.2	-177.3	-4.6	110.3	T407 R432	T407-R434 VanDerWaalsContact O-CB 3.29Å; T407-R434 WeakPolarHBondContact O-CB 3.46Å; T407-R434 WeakPolarHBondContact O-CG 3.03Å; T407-R434 PolarHBondContact O-N 3.27Å; R432-R434 HydrophobicContact CB-CG 4.11Å; R432-R434 PolarHBondContact O-N 2.94Å; R432-R434 VanDerWaalsContact O-N 3.15Å
435	T	72.8	Confident	85.9	Confident	66 Å²	66	43.3 Å²	43.3	41%	0.405	21%	0.214	S	C	.	.	S	Bend	trans	-90.7	137.3	160.7	37.9	0	0	0	0	109.4	D373 G408 H409 G433	D373-T435 WeakPolarHBondContact OD1-CB 3.43Å; D373-T435 PolarHBondContact OD1-OG1 3.33Å; G408-T435 CarbonylContact C-O 3.57Å; G408-T435 WeakPolarHBondContact CA-OG1 3.46Å; H409-T435 PolarHBondContact N-O 3.33Å; G433-T435 CarbonylContact C-O 3.55Å
436	K	73.8	Confident	85.6	Confident	71 Å²	71	49.4 Å²	49.4	31%	0.309	24%	0.243	S	C	.	.			trans	-139.9	149	-177.5	-69.2	175.3	-71.2	-78.5	0	109.3	G433 G438 R440 D462	G433-K436 WeakPolarHBondContact O-CD 3.35Å; G433-K436 WeakPolarHBondContact O-CG 3.03Å; G433-K436 PolarHBondContact O-NZ 3.44Å; K436-G438 WeakPolarHBondContact CB-O 3.28Å; K436-R440 WeakPolarHBondContact CA-O 3.37Å; K436-R440 WeakPolarHBondContact CB-O 3.26Å; K436-D462 IonicContact NZ-OD2 2.68Å; K436-D462 PolarHBondContact NZ-OD2 3.15Å
437	R	67.6	Low	85.5	Confident	129 Å²	129	47.9 Å²	47.9	49%	0.487	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-102.9	93.8	176.9	-168.5	170.3	-170.6	-175.4	3.7	109.7	H409 W411 R440	H409-R437 WeakPolarHBondContact NE2-CB 3.39Å; W411-R437 HydrophobicContact CE3-CB 3.91Å; W411-R437 HydrophobicContact CE3-CG 4.3Å; W411-R437 HydrophobicContact CH2-CB 4.47Å; W411-R437 HydrophobicContact CH2-CG 4.15Å; W411-R437 HydrophobicContact CZ3-CB 3.67Å; W411-R437 HydrophobicContact CZ3-CG 3.84Å; R437-R440 PolarHBondContact N-O 2.82Å; R437-R440 VanDerWaalsContact N-O 3.16Å
438	G	73.3	Confident	85.5	Confident	69 Å²	69	50.3 Å²	50.3	71%	0.711	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	-133.3	-156.9	0	0	0	0	0	109.1	K436	K436-G438 WeakPolarHBondContact CB-O 3.28Å
439	S	76.3	Confident	85.4	Confident	62 Å²	62	50.3 Å²	50.3	43%	0.434	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7	174.3	60.6	0	0	0	0	114.5	G463 D464	S439-G463 CarbonylContact O-C 3.56Å; S439-G463 WeakPolarHBondContact O-CA 3.45Å; S439-D464 WeakPolarHBondContact CB-OD2 3.45Å; S439-D464 PolarHBondContact O-N 2.72Å; S439-D464 PolarHBondContact OG-OD2 2.79Å
440	R	83.8	Confident	85.4	Confident	103 Å²	103	50.4 Å²	50.4	39%	0.389	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.7	-162.2	-57.7	169.5	-171.9	167.8	0.5	113.1	W411 K436 R437 V443 D464 V466	W411-R440 HydrophobicContact CZ3-CB 4.48Å; K436-R440 WeakPolarHBondContact CA-O 3.37Å; K436-R440 WeakPolarHBondContact CB-O 3.26Å; R437-R440 PolarHBondContact N-O 2.82Å; R437-R440 VanDerWaalsContact N-O 3.16Å; R440-V443 HydrophobicContact CB-CG2 3.74Å; R440-V443 HydrophobicContact CG-CG2 4.3Å; R440-D464 WeakPolarHBondContact CA-O 3.03Å; R440-D464 HydrophobicContact CG-CB 4.28Å; R440-V466 HydrophobicContact CG-CG2 3.92Å
441	S	86.5	Confident	85.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-21.3	175.9	56.5	0	0	0	0	114	H409 L410 I460 D462 G463 D464	H409-S441 VanDerWaalsContact CA-O 3.28Å; H409-S441 WeakPolarHBondContact CA-O 3.27Å; H409-S441 VanDerWaalsContact CB-O 3.31Å; H409-S441 WeakPolarHBondContact CB-O 3.4Å; L410-S441 PolarHBondContact N-O 3.45Å; S441-I460 WeakPolarHBondContact OG-CG2 3.36Å; S441-D462 WeakPolarHBondContact CB-O 3.04Å; S441-D462 PolarHBondContact OG-O 2.96Å; S441-G463 VanDerWaalsContact OG-C 3.25Å; S441-G463 WeakPolarHBondContact OG-CA 3.01Å; S441-G463 PolarHBondContact OG-O 3.49Å; S441-D464 PolarHBondContact N-O 3.01Å
442	L	94.2	Very high	85.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.1	170	177.1	61.5	0	0	0	110.5	L410 I431 V444 I460 D464 V465 V466 W481	L410-L442 HydrophobicContact CB-CD1 4Å; L410-L442 HydrophobicContact CD2-CD1 3.91Å; L410-L442 HydrophobicContact CG-CD1 4.01Å; L410-L442 CarbonylContact O-C 3.36Å; L410-L442 WeakPolarHBondContact O-CA 3.17Å; I431-L442 HydrophobicContact CD1-CB 4.45Å; I431-L442 HydrophobicContact CD1-CD1 4.18Å; I431-L442 HydrophobicContact CD1-CD2 4.47Å; L442-V444 HydrophobicContact CD1-CG2 4.16Å; L442-I460 HydrophobicContact CB-CD1 4.47Å; L442-I460 HydrophobicContact CD2-CD1 4.05Å; L442-D464 PolarHBondContact N-O 2.82Å; L442-V465 HydrophobicContact CB-CG2 4.16Å; L442-V465 HydrophobicContact CD2-CG1 4.2Å; L442-V465 HydrophobicContact CD2-CG2 4.39Å; L442-V465 HydrophobicContact CG-CG1 4.46Å; L442-V465 WeakPolarHBondContact O-CA 3.47Å; L442-V466 PolarHBondContact O-N 2.64Å; L442-W481 HydrophobicContact CD2-CH2 3.75Å; L442-W481 HydrophobicContact CD2-CZ3 3.86Å
443	V	93.6	Very high	86.1	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.2	176.6	-178.6	0	0	0	0	111	L410 W411 I412 R440 T445 V466	L410-V443 PolarHBondContact O-N 3.13Å; W411-V443 HydrophobicContact CD2-CB 3.89Å; W411-V443 HydrophobicContact CD2-CG1 4.22Å; W411-V443 HydrophobicContact CD2-CG2 4.11Å; W411-V443 HydrophobicContact CE3-CB 3.72Å; W411-V443 HydrophobicContact CE3-CG1 4.28Å; W411-V443 HydrophobicContact CE3-CG2 3.4Å; W411-V443 HydrophobicContact CG-CB 4.31Å; W411-V443 HydrophobicContact CH2-CG2 4.31Å; W411-V443 HydrophobicContact CZ3-CB 4.2Å; W411-V443 HydrophobicContact CZ3-CG1 4.46Å; W411-V443 HydrophobicContact CZ3-CG2 3.53Å; I412-V443 PolarHBondContact N-O 3.22Å; R440-V443 HydrophobicContact CB-CG2 3.74Å; R440-V443 HydrophobicContact CG-CG2 4.3Å; V443-T445 HydrophobicContact CG1-CG2 4.12Å; V443-V466 WeakPolarHBondContact CA-O 3.44Å; V443-V466 HydrophobicContact CG2-CB 4.31Å
444	V	94.6	Very high	86.7	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	108.5	178.6	-175.4	0	0	0	0	108.4	L422 L442 L447 I449 L452 V466 I467 I468 N470	L422-V444 HydrophobicContact CD1-CG1 4.34Å; L422-V444 HydrophobicContact CD1-CG2 4.11Å; L442-V444 HydrophobicContact CD1-CG2 4.16Å; V444-L447 HydrophobicContact CG1-CD1 3.54Å; V444-L447 HydrophobicContact CG1-CG 4.27Å; V444-I449 HydrophobicContact CG1-CD1 4.15Å; V444-L452 HydrophobicContact CG1-CD2 4.33Å; V444-V466 PolarHBondContact N-O 3.16Å; V444-I467 HydrophobicContact CB-CG1 4.16Å; V444-I467 HydrophobicContact CB-CG2 4.35Å; V444-I467 HydrophobicContact CG2-CG1 4.43Å; V444-I467 VanDerWaalsContact O-CA 3.31Å; V444-I467 WeakPolarHBondContact O-CA 3.41Å; V444-I468 PolarHBondContact O-N 3.06Å; V444-I468 VanDerWaalsContact O-N 3.11Å; V444-N470 PolarHBondContact O-ND2 3.43Å; V444-N470 VanDerWaalsContact O-ND2 3.15Å
445	T	92.8	Very high	87.5	Confident	11 Å²	11	43.3 Å²	43.3	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.5	-170.5	-177.6	0	0	0	0	113.9	I412 Q413 V443 L447 I468	I412-T445 PolarHBondContact O-N 2.87Å; I412-T445 VanDerWaalsContact O-N 3.1Å; Q413-T445 HydrophobicContact CB-CG2 4.36Å; Q413-T445 HydrophobicContact CG-CG2 3.8Å; V443-T445 HydrophobicContact CG1-CG2 4.12Å; T445-L447 WeakPolarHBondContact O-CD2 3.32Å; T445-L447 PolarHBondContact O-N 2.03Å; T445-I468 VanDerWaalsContact CA-O 3.25Å; T445-I468 WeakPolarHBondContact CA-O 3.31Å; T445-I468 WeakPolarHBondContact OG1-CG1 3.44Å; T445-I468 PolarHBondContact OG1-O 3.43Å
446	Q	90	Very high	88.5	Confident	129 Å²	129	41.7 Å²	41.7	60%	0.603	21%	0.214	S	C	*	.	S	Bend	trans	61.1	36.1	177.5	-59.5	173.3	20	0	0	114.3	I468 K469 N470	Q446-I468 PolarHBondContact N-O 3.48Å; Q446-K469 HydrophobicContact CG-CB 4.12Å; Q446-K469 HydrophobicContact CG-CD 4.22Å; Q446-N470 PolarHBondContact N-OD1 3.49Å
447	L	92.9	Very high	89.5	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.201	C	C	.	.			trans	-106.4	139.8	-177.1	-50.3	-170.2	0	0	0	113.6	I412 W415 L422 V444 T445 I449 N470	I412-L447 HydrophobicContact CB-CD1 4.37Å; I412-L447 HydrophobicContact CG2-CD1 3.71Å; I412-L447 HydrophobicContact CG2-CD2 4.28Å; W415-L447 HydrophobicContact CB-CD1 4.1Å; W415-L447 HydrophobicContact CB-CD2 3.84Å; W415-L447 HydrophobicContact CB-CG 4.39Å; L422-L447 HydrophobicContact CD2-CD1 4.27Å; V444-L447 HydrophobicContact CG1-CD1 3.54Å; V444-L447 HydrophobicContact CG1-CG 4.27Å; T445-L447 WeakPolarHBondContact O-CD2 3.32Å; T445-L447 PolarHBondContact O-N 2.03Å; L447-I449 HydrophobicContact CB-CD1 4.41Å; L447-I449 HydrophobicContact CB-CG1 4.03Å; L447-I449 HydrophobicContact CB-CG2 4.26Å; L447-I449 HydrophobicContact CD1-CD1 4.23Å; L447-I449 PolarHBondContact O-N 3.35Å; L447-N470 WeakPolarHBondContact CB-OD1 3.45Å; L447-N470 PolarHBondContact N-OD1 2.04Å
448	D	91.9	Very high	90.5	Very high	101 Å²	101	38.9 Å²	38.9	54%	0.54	21%	0.205	S	C	.	.			trans	-78.3	35.6	174.5	-73.1	-37.1	0	0	0	113.4	Q417	Q417-D448 PolarHBondContact NE2-OD2 3.49Å
449	I	94	Very high	91.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.182	C	C	.	.			trans	-92.9	152.1	-178.1	61.8	173.7	0	0	0	113.2	W415 L422 V444 L447 L452 N472 L473	W415-I449 HydrophobicContact CG-CG2 4.47Å; L422-I449 HydrophobicContact CD2-CD1 4.34Å; L422-I449 HydrophobicContact CG-CD1 4.25Å; V444-I449 HydrophobicContact CG1-CD1 4.15Å; L447-I449 HydrophobicContact CB-CD1 4.41Å; L447-I449 HydrophobicContact CB-CG1 4.03Å; L447-I449 HydrophobicContact CB-CG2 4.26Å; L447-I449 HydrophobicContact CD1-CD1 4.23Å; L447-I449 PolarHBondContact O-N 3.35Å; I449-L452 HydrophobicContact CD1-CD2 3.88Å; I449-N472 CarbonylContact O-C 3.51Å; I449-N472 VanDerWaalsContact O-C 3.28Å; I449-L473 HydrophobicContact CD1-CD1 4.32Å; I449-L473 HydrophobicContact CG1-CD1 4.32Å; I449-L473 WeakPolarHBondContact O-CA 3.31Å; I449-L473 PolarHBondContact O-N 2.92Å; I449-L473 VanDerWaalsContact O-N 3.13Å
450	D	92.7	Very high	92	Very high	39 Å²	39	35 Å²	35	21%	0.209	16%	0.162	C	C	.	.	S	Bend	trans	-94.2	-32.8	179.7	-91.9	-6.3	0	0	0	113.3	N420 C474 K508	N420-D450 HydrophobicContact CB-CB 4.37Å; N420-D450 PolarHBondContact O-N 3.2Å; D450-C474 PolarHBondContact O-N 3.31Å; D450-K508 IonicContact OD1-NZ 2.8Å; D450-K508 PolarHBondContact OD1-NZ 3.22Å; D450-K508 WeakPolarHBondContact OD2-CE 3.44Å; D450-K508 IonicContact OD2-NZ 3.32Å; D450-K508 PolarHBondContact OD2-NZ 3.09Å
451	Y	94.4	Very high	92.1	Very high	36 Å²	36	31.2 Å²	31.2	14%	0.141	15%	0.152	C	C	.	.			trans	-154.6	160	-177.9	64.2	-78.7	0	0	0	110.1	S421 P522 M526	S421-Y451 VanDerWaalsContact CA-O 3.24Å; S421-Y451 WeakPolarHBondContact CA-O 3.02Å; S421-Y451 WeakPolarHBondContact CB-O 3.41Å; S421-Y451 WeakPolarHBondContact OG-CE2 3.29Å; S421-Y451 VanDerWaalsContact OG-CZ 3.24Å; S421-Y451 PolarHBondContact OG-OH 3.21Å; Y451-P522 HydrophobicContact CD1-CG 4.46Å; Y451-M526 HydrophobicContact CE2-CE 4.42Å
452	L	93.8	Very high	91.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.168	C	C	.	.			trans	-79.3	-47.1	-179.3	-63.4	179.9	0	0	0	112	L422 V444 I449 L454 I467 L473 M476 W481 W520	L422-L452 WeakPolarHBondContact CA-O 3.24Å; L422-L452 VanDerWaalsContact CB-O 3.28Å; L422-L452 WeakPolarHBondContact CB-O 3.46Å; L422-L452 HydrophobicContact CD1-CD2 4.1Å; L422-L452 PolarHBondContact N-O 3.43Å; V444-L452 HydrophobicContact CG1-CD2 4.33Å; I449-L452 HydrophobicContact CD1-CD2 3.88Å; L452-L454 HydrophobicContact CB-CG 4.28Å; L452-I467 HydrophobicContact CD1-CD1 3.7Å; L452-I467 HydrophobicContact CD2-CD1 4.46Å; L452-L473 HydrophobicContact CD2-CD1 4.12Å; L452-L473 HydrophobicContact CD2-CD2 4.06Å; L452-L473 HydrophobicContact CG-CD1 4.17Å; L452-M476 HydrophobicContact CD1-CG 3.82Å; L452-M476 HydrophobicContact CG-CG 4.3Å; L452-W481 HydrophobicContact CD1-CH2 4.1Å; L452-W481 HydrophobicContact CD1-CZ2 3.71Å; L452-W520 HydrophobicContact CB-CE3 4.17Å; L452-W520 HydrophobicContact CD1-CE3 4.26Å; L452-W520 HydrophobicContact CD1-CZ3 3.96Å; L452-W520 PolarHBondContact N-O 3.2Å
453	G	93.3	Very high	91	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.01	17%	0.17	C	C	.	.			trans	76.4	14.2	178.3	0	0	0	0	0	115.7	R455 W520	G453-R455 PolarHBondContact O-N 3.1Å; G453-W520 PolarHBondContact N-O 3.31Å
454	L	94.5	Very high	90.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.175	C	C	.	.			trans	-76.6	48.4	-179	-58	178.1	0	0	0	112.7	L422 F425 L452 S456 L457 W520	L422-L454 HydrophobicContact CB-CD2 4.24Å; F425-L454 HydrophobicContact CB-CD2 3.6Å; L452-L454 HydrophobicContact CB-CG 4.28Å; L454-S456 PolarHBondContact O-N 2.73Å; L454-L457 HydrophobicContact CB-CB 4.21Å; L454-L457 HydrophobicContact CD1-CD2 4.29Å; L454-L457 WeakPolarHBondContact O-CB 3.19Å; L454-L457 PolarHBondContact O-N 3Å; L454-W520 HydrophobicContact CB-CD2 4.13Å; L454-W520 HydrophobicContact CB-CE3 4Å; L454-W520 HydrophobicContact CB-CH2 4.43Å; L454-W520 HydrophobicContact CB-CZ3 4.16Å; L454-W520 HydrophobicContact CD1-CZ3 4.37Å; L454-W520 PolarHBondContact O-NE1 3.29Å
455	R	91.7	Very high	90.7	Very high	82 Å²	82	35.5 Å²	35.5	31%	0.309	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.5	-163.7	67.9	169.2	-179.5	-110.5	-25.7	115.9	E426 G453 W520 D525 M526	E426-R455 VanDerWaalsContact CD-NH2 3.28Å; E426-R455 WeakPolarHBondContact O-CG 3.46Å; E426-R455 IonicContact OE2-CZ 2.71Å; E426-R455 IonicContact OE2-NH1 3.74Å; E426-R455 PolarHBondContact OE2-NH1 2.77Å; E426-R455 IonicContact OE2-NH2 2.75Å; E426-R455 PolarHBondContact OE2-NH2 2.73Å; G453-R455 PolarHBondContact O-N 3.1Å; R455-W520 VanDerWaalsContact CA-CD1 3.45Å; R455-D525 WeakPolarHBondContact CD-O 3.22Å; R455-D525 IonicContact CZ-OD2 2.69Å; R455-D525 IonicContact NE-OD2 2.75Å; R455-D525 IonicContact NH1-OD2 2.64Å; R455-D525 PolarHBondContact NH1-OD2 2.69Å; R455-M526 HydrophobicContact CB-SD 3.98Å
456	S	92.9	Very high	90.6	Very high	32 Å²	32	35.3 Å²	35.3	22%	0.224	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.7	-179.1	-59.5	0	0	0	0	114.7	E426 L428 E429 L454 K458	E426-S456 VanDerWaalsContact O-CB 3.24Å; E426-S456 WeakPolarHBondContact O-CB 3.22Å; E426-S456 PolarHBondContact O-N 2.72Å; E426-S456 PolarHBondContact O-OG 2.89Å; L428-S456 CarbonylContact O-C 3.57Å; E429-S456 WeakPolarHBondContact CA-O 3.47Å; L454-S456 PolarHBondContact O-N 2.73Å; S456-K458 PolarHBondContact O-N 2.8Å
457	L	93.8	Very high	90.8	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	15%	0.146	C	C	.	.			trans	-69.4	125	-172.9	-171.7	71.8	0	0	0	111.5	L428 I431 L454 I460 W481 F484 W520	L428-L457 HydrophobicContact CG-CD1 4.32Å; L428-L457 WeakPolarHBondContact O-CA 3.36Å; L428-L457 PolarHBondContact O-N 2.91Å; I431-L457 HydrophobicContact CD1-CD1 4.45Å; I431-L457 HydrophobicContact CG1-CD1 4.25Å; L454-L457 HydrophobicContact CB-CB 4.21Å; L454-L457 HydrophobicContact CD1-CD2 4.29Å; L454-L457 WeakPolarHBondContact O-CB 3.19Å; L454-L457 PolarHBondContact O-N 3Å; L457-I460 HydrophobicContact CD2-CD1 4.3Å; L457-I460 HydrophobicContact CD2-CG1 4.36Å; L457-W481 HydrophobicContact CD2-CZ3 4.28Å; L457-F484 WeakPolarHBondContact O-CE1 3.4Å; L457-W520 HydrophobicContact CB-CH2 4.46Å; L457-W520 HydrophobicContact CB-CZ2 3.9Å; L457-W520 HydrophobicContact CD2-CH2 3.79Å; L457-W520 HydrophobicContact CD2-CZ2 4.03Å; L457-W520 HydrophobicContact CG-CZ2 4.43Å
458	K	89.9	Confident	90.8	Very high	133 Å²	133	30.7 Å²	30.7	58%	0.578	15%	0.153	S	C	*	.			trans	-117.3	-32.4	-176.7	-66.9	158.3	-169	176.2	0	112.8	E429 S456	E429-K458 HydrophobicContact CB-CD 4.49Å; E429-K458 PolarHBondContact O-N 3.22Å; E429-K458 IonicContact OE2-NZ 3.43Å; E429-K458 PolarHBondContact OE2-NZ 2.84Å; S456-K458 PolarHBondContact O-N 2.8Å
459	E	91	Very high	90.7	Very high	49 Å²	49	29.2 Å²	29.2	23%	0.229	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	131.5	-167.1	-168.7	-167.5	141.9	0	0	111.8	E429 I430 I431 R432 S461 I486	E429-E459 PolarHBondContact O-N 2.99Å; I430-E459 WeakPolarHBondContact CA-O 3.21Å; I430-E459 HydrophobicContact CG1-CB 4.19Å; I430-E459 HydrophobicContact CG2-CB 4.21Å; I430-E459 HydrophobicContact CG2-CG 4.46Å; I431-E459 PolarHBondContact N-O 3Å; R432-E459 IonicContact NH1-OE1 3.28Å; E459-S461 WeakPolarHBondContact OE1-CB 3.44Å; E459-S461 PolarHBondContact OE1-OG 2.79Å; E459-I486 HydrophobicContact CG-CD1 4.08Å; E459-I486 HydrophobicContact CG-CG1 3.72Å
460	I	90.4	Very high	90.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	95.2	159.9	-58.8	-177.7	0	0	0	106.7	I431 S441 L442 L457 D462 V465 W481 F484 F485 Q490	I431-I460 HydrophobicContact CB-CG1 4.44Å; I431-I460 CarbonylContact O-C 3.52Å; I431-I460 VanDerWaalsContact O-CA 3.26Å; I431-I460 WeakPolarHBondContact O-CA 3.33Å; S441-I460 WeakPolarHBondContact OG-CG2 3.36Å; L442-I460 HydrophobicContact CB-CD1 4.47Å; L442-I460 HydrophobicContact CD2-CD1 4.05Å; L457-I460 HydrophobicContact CD2-CD1 4.3Å; L457-I460 HydrophobicContact CD2-CG1 4.36Å; I460-D462 VanDerWaalsContact C-N 3.26Å; I460-D462 PolarHBondContact O-N 2.66Å; I460-V465 HydrophobicContact CD1-CG2 3.59Å; I460-W481 HydrophobicContact CD1-CE3 4.12Å; I460-W481 HydrophobicContact CD1-CZ3 3.83Å; I460-F484 PolarHBondContact N-O 2.8Å; I460-F485 HydrophobicContact CB-CD1 4.3Å; I460-Q490 PolarHBondContact O-NE2 3.05Å; I460-Q490 PolarHBondContact O-OE1 3.19Å
461	S	84.6	Confident	90.5	Very high	25 Å²	25	33.3 Å²	33.3	18%	0.175	16%	0.159	C	C	.	.			trans	-62.1	-32	-166.7	-41.1	0	0	0	0	113.6	I431 R432 E459	I431-S461 PolarHBondContact O-N 3.14Å; R432-S461 WeakPolarHBondContact CA-OG 3.28Å; E459-S461 WeakPolarHBondContact OE1-CB 3.44Å; E459-S461 PolarHBondContact OE1-OG 2.79Å
462	D	77.8	Confident	90.3	Very high	63 Å²	63	34.1 Å²	34.1	34%	0.337	17%	0.166	S	C	.	.	S	Bend	trans	-157.9	158.9	-177.6	-169.7	13.7	0	0	0	110.8	K436 S441 I460 Q490	K436-D462 IonicContact NZ-OD2 2.68Å; K436-D462 PolarHBondContact NZ-OD2 3.15Å; S441-D462 WeakPolarHBondContact CB-O 3.04Å; S441-D462 PolarHBondContact OG-O 2.96Å; I460-D462 VanDerWaalsContact C-N 3.26Å; I460-D462 PolarHBondContact O-N 2.66Å; D462-Q490 VanDerWaalsContact C-NE2 3.34Å
463	G	81.1	Confident	90.3	Very high	4 Å²	4	34.3 Å²	34.3	4%	0.041	17%	0.167	C	C	.	.	S	Bend	trans	83.8	160.9	178.8	0	0	0	0	0	115.9	S439 S441 Q490	S439-G463 CarbonylContact O-C 3.56Å; S439-G463 WeakPolarHBondContact O-CA 3.45Å; S441-G463 VanDerWaalsContact OG-C 3.25Å; S441-G463 WeakPolarHBondContact OG-CA 3.01Å; S441-G463 PolarHBondContact OG-O 3.49Å; G463-Q490 PolarHBondContact O-NE2 3.04Å
464	D	87.7	Confident	90.2	Very high	27 Å²	27	34.4 Å²	34.4	14%	0.144	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	153.5	-179.1	-64.7	-45.7	0	0	0	113.3	S439 R440 S441 L442 T491	S439-D464 WeakPolarHBondContact CB-OD2 3.45Å; S439-D464 PolarHBondContact O-N 2.72Å; S439-D464 PolarHBondContact OG-OD2 2.79Å; R440-D464 WeakPolarHBondContact CA-O 3.03Å; R440-D464 HydrophobicContact CG-CB 4.28Å; S441-D464 PolarHBondContact N-O 3.01Å; L442-D464 PolarHBondContact N-O 2.82Å; D464-T491 WeakPolarHBondContact CA-O 3.3Å; D464-T491 VanDerWaalsContact CG-OG1 3.24Å; D464-T491 WeakPolarHBondContact OD1-CA 3.46Å; D464-T491 WeakPolarHBondContact OD1-CB 3.36Å; D464-T491 PolarHBondContact OD1-N 3.28Å; D464-T491 PolarHBondContact OD1-OG1 3.49Å
465	V	92.7	Very high	89.9	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.3	171.4	175.6	0	0	0	0	110	L442 I460 I467 W481 F485 T491 A492 T493	L442-V465 HydrophobicContact CB-CG2 4.16Å; L442-V465 HydrophobicContact CD2-CG1 4.2Å; L442-V465 HydrophobicContact CD2-CG2 4.39Å; L442-V465 HydrophobicContact CG-CG1 4.46Å; L442-V465 WeakPolarHBondContact O-CA 3.47Å; I460-V465 HydrophobicContact CD1-CG2 3.59Å; V465-I467 HydrophobicContact CG1-CD1 4.01Å; V465-I467 HydrophobicContact CG1-CG1 3.87Å; V465-W481 HydrophobicContact CB-CD2 4.4Å; V465-W481 HydrophobicContact CB-CE3 4.41Å; V465-W481 HydrophobicContact CG1-CD2 3.83Å; V465-W481 HydrophobicContact CG1-CE3 4.01Å; V465-W481 HydrophobicContact CG1-CG 4.36Å; V465-W481 HydrophobicContact CG1-CH2 4.34Å; V465-W481 HydrophobicContact CG1-CZ2 4.19Å; V465-W481 HydrophobicContact CG1-CZ3 4.25Å; V465-W481 HydrophobicContact CG2-CD2 4.32Å; V465-W481 HydrophobicContact CG2-CE3 3.86Å; V465-W481 HydrophobicContact CG2-CZ3 4.27Å; V465-F485 HydrophobicContact CB-CE1 4.48Å; V465-F485 HydrophobicContact CB-CZ 4.22Å; V465-F485 HydrophobicContact CG2-CE1 3.56Å; V465-F485 HydrophobicContact CG2-CZ 3.78Å; V465-T491 PolarHBondContact N-O 2.94Å; V465-A492 HydrophobicContact CB-CB 4.39Å; V465-A492 CarbonylContact O-C 3.52Å; V465-A492 WeakPolarHBondContact O-CA 3.49Å; V465-T493 PolarHBondContact O-N 2.97Å
466	V	91.9	Very high	89.6	Confident	6 Å²	6	33.4 Å²	33.4	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.4	176.2	-178.8	0	0	0	0	110.6	R440 L442 V443 V444 I468 T493	R440-V466 HydrophobicContact CG-CG2 3.92Å; L442-V466 PolarHBondContact O-N 2.64Å; V443-V466 WeakPolarHBondContact CA-O 3.44Å; V443-V466 HydrophobicContact CG2-CB 4.31Å; V444-V466 PolarHBondContact N-O 3.16Å; V466-I468 HydrophobicContact CG1-CD1 3.98Å; V466-I468 HydrophobicContact CG1-CG1 4.11Å; V466-I468 HydrophobicContact CG1-CG2 3.74Å; V466-T493 WeakPolarHBondContact CA-O 3.42Å
467	I	93.5	Very high	89.2	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	95.6	-178.2	-56.9	-170.6	0	0	0	109	V444 L452 V465 L473 W481 T493 V494 N495 N497	V444-I467 HydrophobicContact CB-CG1 4.16Å; V444-I467 HydrophobicContact CB-CG2 4.35Å; V444-I467 HydrophobicContact CG2-CG1 4.43Å; V444-I467 VanDerWaalsContact O-CA 3.31Å; V444-I467 WeakPolarHBondContact O-CA 3.41Å; L452-I467 HydrophobicContact CD1-CD1 3.7Å; L452-I467 HydrophobicContact CD2-CD1 4.46Å; V465-I467 HydrophobicContact CG1-CD1 4.01Å; V465-I467 HydrophobicContact CG1-CG1 3.87Å; I467-L473 HydrophobicContact CG2-CD2 3.5Å; I467-L473 VanDerWaalsContact CG2-CD2 3.5Å; I467-W481 HydrophobicContact CD1-CH2 3.99Å; I467-W481 HydrophobicContact CD1-CZ2 3.27Å; I467-T493 PolarHBondContact N-O 3.03Å; I467-V494 WeakPolarHBondContact O-CA 3.49Å; I467-N495 PolarHBondContact O-N 3.05Å; I467-N497 PolarHBondContact O-ND2 3.02Å
468	I	92.3	Very high	88.7	Confident	35 Å²	35	38.3 Å²	38.3	18%	0.179	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.9	-165.8	66.9	176.2	0	0	0	113.5	V444 T445 Q446 V466 N470 T493 N495	V444-I468 PolarHBondContact O-N 3.06Å; V444-I468 VanDerWaalsContact O-N 3.11Å; T445-I468 VanDerWaalsContact CA-O 3.25Å; T445-I468 WeakPolarHBondContact CA-O 3.31Å; T445-I468 WeakPolarHBondContact OG1-CG1 3.44Å; T445-I468 PolarHBondContact OG1-O 3.43Å; Q446-I468 PolarHBondContact N-O 3.48Å; V466-I468 HydrophobicContact CG1-CD1 3.98Å; V466-I468 HydrophobicContact CG1-CG1 4.11Å; V466-I468 HydrophobicContact CG1-CG2 3.74Å; I468-N470 VanDerWaalsContact C-N 3.32Å; I468-N470 PolarHBondContact N-ND2 2.9Å; I468-N470 PolarHBondContact O-N 3.15Å; I468-N470 PolarHBondContact O-ND2 3.11Å; I468-T493 HydrophobicContact CG2-CG2 4.19Å; I468-N495 VanDerWaalsContact CA-O 3.26Å; I468-N495 WeakPolarHBondContact CA-O 3.31Å; I468-N495 VanDerWaalsContact CB-OD1 3.26Å; I468-N495 WeakPolarHBondContact CB-OD1 3.36Å; I468-N495 WeakPolarHBondContact CG2-OD1 3.12Å
469	K	90.1	Very high	88.5	Confident	69 Å²	69	34.8 Å²	34.8	30%	0.3	18%	0.182	S	C	.	.			trans	61.6	30.9	174.4	-52.4	-178.8	-179.4	-75.3	0	114.8	Q446 N495 E496 N497	Q446-K469 HydrophobicContact CG-CB 4.12Å; Q446-K469 HydrophobicContact CG-CD 4.22Å; K469-N495 PolarHBondContact N-O 3.44Å; K469-N495 VanDerWaalsContact N-O 3.12Å; K469-E496 HydrophobicContact CB-CB 4.39Å; K469-E496 WeakPolarHBondContact CE-OE1 3.47Å; K469-E496 HydrophobicContact CG-CB 3.9Å; K469-E496 HydrophobicContact CG-CG 4.42Å; K469-E496 IonicContact NZ-OE1 3.55Å; K469-E496 PolarHBondContact NZ-OE1 2.93Å; K469-E496 IonicContact NZ-OE2 2.72Å; K469-E496 PolarHBondContact NZ-OE2 2.04Å; K469-N497 PolarHBondContact N-OD1 2.86Å
470	N	92.7	Very high	88.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.			trans	-103.2	82	177.1	-47.8	-76.1	0	0	0	108.7	V444 Q446 L447 I468 N472 L473 N497	V444-N470 PolarHBondContact O-ND2 3.43Å; V444-N470 VanDerWaalsContact O-ND2 3.15Å; Q446-N470 PolarHBondContact N-OD1 3.49Å; L447-N470 WeakPolarHBondContact CB-OD1 3.45Å; L447-N470 PolarHBondContact N-OD1 2.04Å; I468-N470 VanDerWaalsContact C-N 3.32Å; I468-N470 PolarHBondContact N-ND2 2.9Å; I468-N470 PolarHBondContact O-N 3.15Å; I468-N470 PolarHBondContact O-ND2 3.11Å; N470-N472 PolarHBondContact O-N 2.91Å; N470-L473 HydrophobicContact CB-CB 3.72Å; N470-L473 HydrophobicContact CB-CD2 3.95Å; N470-L473 HydrophobicContact CB-CG 4.5Å; N470-L473 WeakPolarHBondContact O-CB 3.1Å; N470-L473 PolarHBondContact O-N 2.85Å; N470-N497 WeakPolarHBondContact CB-OD1 3.04Å; N470-N497 PolarHBondContact N-OD1 2.99Å; N470-N497 PolarHBondContact ND2-OD1 2.94Å; N470-N497 VanDerWaalsContact ND2-OD1 3.11Å; N470-N497 WeakPolarHBondContact O-CA 3.32Å
471	H	89.9	Confident	88.4	Confident	126 Å²	126	34.2 Å²	34.2	58%	0.583	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.6	-161.5	-59.1	-39.4	0	0	0	116.2	E496	H471-E496 PolarHBondContact CE1-O 2.93Å; H471-E496 PolarHBondContact ND1-O 3.44Å
472	N	91.1	Very high	88.5	Confident	53 Å²	53	39.8 Å²	39.8	28%	0.283	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-7.2	174.9	-72.2	-49.6	0	0	0	114.1	I449 N470 C474 R506	I449-N472 CarbonylContact O-C 3.51Å; I449-N472 VanDerWaalsContact O-C 3.28Å; N470-N472 PolarHBondContact O-N 2.91Å; N472-C474 PolarHBondContact O-N 2.86Å; N472-R506 PolarHBondContact OD1-NH1 3.43Å; N472-R506 VanDerWaalsContact OD1-NH1 3.13Å
473	L	92.9	Very high	89	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	21%	0.205	C	C	.	.			trans	-72.4	120.4	-173	178	61.1	0	0	0	111.7	I449 L452 I467 N470 A498	I449-L473 HydrophobicContact CD1-CD1 4.32Å; I449-L473 HydrophobicContact CG1-CD1 4.32Å; I449-L473 WeakPolarHBondContact O-CA 3.31Å; I449-L473 PolarHBondContact O-N 2.92Å; I449-L473 VanDerWaalsContact O-N 3.13Å; L452-L473 HydrophobicContact CD2-CD1 4.12Å; L452-L473 HydrophobicContact CD2-CD2 4.06Å; L452-L473 HydrophobicContact CG-CD1 4.17Å; I467-L473 HydrophobicContact CG2-CD2 3.5Å; I467-L473 VanDerWaalsContact CG2-CD2 3.5Å; N470-L473 HydrophobicContact CB-CB 3.72Å; N470-L473 HydrophobicContact CB-CD2 3.95Å; N470-L473 HydrophobicContact CB-CG 4.5Å; N470-L473 WeakPolarHBondContact O-CB 3.1Å; N470-L473 PolarHBondContact O-N 2.85Å; L473-A498 WeakPolarHBondContact O-CB 3.3Å; L473-A498 PolarHBondContact O-N 2.76Å
474	C	90.7	Very high	89.4	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.02	21%	0.205	C	C	.	.			trans	-111.4	-167.6	176.4	-72.5	0	0	0	0	111.8	D450 N472 M476 C503 K508	D450-C474 PolarHBondContact O-N 3.31Å; N472-C474 PolarHBondContact O-N 2.86Å; C474-M476 PolarHBondContact O-N 2.87Å; C474-C503 VanDerWaalsContact CA-SG 3.5Å; C474-C503 HydrophobicContact CB-CB 3.82Å; C474-C503 WeakPolarHBondContact CB-SG 3.48Å; C474-C503 WeakPolarHBondContact SG-CB 3.46Å; C474-C503 CovalentContact SG-SG 2.04Å; C474-C503 PolarHBondContact SG-SG 2.75Å; C474-K508 HydrophobicContact CB-CB 3.94Å; C474-K508 HydrophobicContact CB-CD 4.44Å
475	Y	89.2	Confident	89.6	Confident	34 Å²	34	42.7 Å²	42.7	13%	0.133	20%	0.204	C	C	.	.	S	Bend	trans	69.8	-24.4	171.4	-45.7	-88.3	0	0	0	117.4	K508 T509 P522	Y475-K508 HydrophobicContact CE1-CB 4.46Å; Y475-K508 HydrophobicContact CE2-CB 4.22Å; Y475-K508 WeakPolarHBondContact OH-CA 3.41Å; Y475-T509 WeakPolarHBondContact CE1-O 3.26Å; Y475-P522 HydrophobicContact CE1-CB 4.39Å
476	M	85.4	Confident	89	Confident	27 Å²	27	48.3 Å²	48.3	13%	0.133	23%	0.233	C	C	.	.			trans	-113.5	146.6	-178.6	-58.8	-62.7	-61.4	0	0	113.2	L452 C474 H480 W481 W520 F528	L452-M476 HydrophobicContact CD1-CG 3.82Å; L452-M476 HydrophobicContact CG-CG 4.3Å; C474-M476 PolarHBondContact O-N 2.87Å; M476-H480 HydrophobicContact CE-CB 4.15Å; M476-W481 HydrophobicContact CE-CD2 4.4Å; M476-W481 HydrophobicContact CE-CH2 4.34Å; M476-W481 HydrophobicContact CE-CZ2 3.61Å; M476-W520 HydrophobicContact CE-CE3 4.11Å; M476-W520 HydrophobicContact CE-CH2 4.16Å; M476-W520 HydrophobicContact CE-CZ3 3.63Å; M476-W520 HydrophobicContact SD-CE3 3.8Å; M476-W520 HydrophobicContact SD-CZ3 3.96Å; M476-F528 HydrophobicContact CE-CZ 3.88Å; M476-F528 HydrophobicContact SD-CE1 4.2Å; M476-F528 HydrophobicContact SD-CZ 3.69Å
477	D	84.1	Confident	88.2	Confident	61 Å²	61	50.8 Å²	50.8	33%	0.326	25%	0.25	S	S	.	.			trans	-132.1	-173.8	164.9	67.6	35.3	0	0	0	111.4	S479 H480 W481	D477-S479 WeakPolarHBondContact OD1-CA 3.48Å; D477-S479 WeakPolarHBondContact OD1-CB 3.38Å; D477-S479 PolarHBondContact OD1-N 2.84Å; D477-S479 PolarHBondContact OD1-OG 2.93Å; D477-H480 PolarHBondContact N-ND1 2.81Å; D477-H480 IonicContact OD1-CE1 3.71Å; D477-H480 IonicContact OD1-CG 2.67Å; D477-H480 PolarHBondContact OD1-N 2.95Å; D477-H480 IonicContact OD1-ND1 2.78Å; D477-H480 PolarHBondContact OD1-ND1 3.45Å; D477-H480 IonicContact OD2-CE1 3.18Å; D477-H480 PolarHBondContact OD2-CE1 2.7Å; D477-H480 IonicContact OD2-ND1 3.41Å; D477-H480 PolarHBondContact OD2-ND1 2.65Å; D477-H480 VanDerWaalsContact OD2-ND1 3.15Å; D477-W481 PolarHBondContact O-NE1 2.77Å
478	D	84.4	Confident	87.1	Confident	81 Å²	81	55.1 Å²	55.1	43%	0.433	30%	0.296	S	S	.	.	S	Bend	trans	-71.5	-33.4	179.4	71.7	-59.9	0	0	0	113.4	W481 V494	D478-W481 PolarHBondContact O-N 3.09Å; D478-V494 HydrophobicContact CB-CB 4.31Å; D478-V494 HydrophobicContact CB-CG2 4.24Å
479	S	85.2	Confident	86.3	Confident	60 Å²	60	56.4 Å²	56.4	42%	0.42	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-67.7	-38.8	-176.5	80.7	0	0	0	0	111.5	D477 W481 K482	D477-S479 WeakPolarHBondContact OD1-CA 3.48Å; D477-S479 WeakPolarHBondContact OD1-CB 3.38Å; D477-S479 PolarHBondContact OD1-N 2.84Å; D477-S479 PolarHBondContact OD1-OG 2.93Å; S479-W481 PolarHBondContact O-N 3.09Å; S479-K482 PolarHBondContact O-N 3.14Å
480	H	88.9	Confident	86	Confident	37 Å²	37	54 Å²	54	17%	0.171	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.4	-28.9	-179.6	-71.4	109.8	0	0	0	113.8	M476 D477 K482 R483 D517 F528	M476-H480 HydrophobicContact CE-CB 4.15Å; D477-H480 PolarHBondContact N-ND1 2.81Å; D477-H480 IonicContact OD1-CE1 3.71Å; D477-H480 IonicContact OD1-CG 2.67Å; D477-H480 PolarHBondContact OD1-N 2.95Å; D477-H480 IonicContact OD1-ND1 2.78Å; D477-H480 PolarHBondContact OD1-ND1 3.45Å; D477-H480 IonicContact OD2-CE1 3.18Å; D477-H480 PolarHBondContact OD2-CE1 2.7Å; D477-H480 IonicContact OD2-ND1 3.41Å; D477-H480 PolarHBondContact OD2-ND1 2.65Å; D477-H480 VanDerWaalsContact OD2-ND1 3.15Å; H480-K482 VanDerWaalsContact C-N 3.31Å; H480-K482 PolarHBondContact O-N 2.9Å; H480-R483 VanDerWaalsContact O-CG 3.3Å; H480-R483 WeakPolarHBondContact O-CG 3.37Å; H480-D517 PolarHBondContact CD2-O 2.86Å; H480-D517 PolarHBondContact NE2-O 2.86Å; H480-F528 HydrophobicContact CB-CE2 4.17Å; H480-F528 AromaticContact CD2-CE2 3.76Å
481	W	89.4	Confident	85.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-70.3	-25.5	-176.1	-73.8	97.8	0	0	0	114.3	L442 L452 L457 I460 V465 I467 M476 D477 D478 S479 R483 F484 F485 A492 W520	L442-W481 HydrophobicContact CD2-CH2 3.75Å; L442-W481 HydrophobicContact CD2-CZ3 3.86Å; L452-W481 HydrophobicContact CD1-CH2 4.1Å; L452-W481 HydrophobicContact CD1-CZ2 3.71Å; L457-W481 HydrophobicContact CD2-CZ3 4.28Å; I460-W481 HydrophobicContact CD1-CE3 4.12Å; I460-W481 HydrophobicContact CD1-CZ3 3.83Å; V465-W481 HydrophobicContact CB-CD2 4.4Å; V465-W481 HydrophobicContact CB-CE3 4.41Å; V465-W481 HydrophobicContact CG1-CD2 3.83Å; V465-W481 HydrophobicContact CG1-CE3 4.01Å; V465-W481 HydrophobicContact CG1-CG 4.36Å; V465-W481 HydrophobicContact CG1-CH2 4.34Å; V465-W481 HydrophobicContact CG1-CZ2 4.19Å; V465-W481 HydrophobicContact CG1-CZ3 4.25Å; V465-W481 HydrophobicContact CG2-CD2 4.32Å; V465-W481 HydrophobicContact CG2-CE3 3.86Å; V465-W481 HydrophobicContact CG2-CZ3 4.27Å; I467-W481 HydrophobicContact CD1-CH2 3.99Å; I467-W481 HydrophobicContact CD1-CZ2 3.27Å; M476-W481 HydrophobicContact CE-CD2 4.4Å; M476-W481 HydrophobicContact CE-CH2 4.34Å; M476-W481 HydrophobicContact CE-CZ2 3.61Å; D477-W481 PolarHBondContact O-NE1 2.77Å; D478-W481 PolarHBondContact O-N 3.09Å; S479-W481 PolarHBondContact O-N 3.09Å; W481-R483 PolarHBondContact O-N 2.9Å; W481-F484 HydrophobicContact CE3-CD2 4.09Å; W481-F484 HydrophobicContact CZ3-CD2 4.46Å; W481-F484 PolarHBondContact O-N 2.52Å; W481-F485 HydrophobicContact CB-CE2 4.25Å; W481-F485 HydrophobicContact CB-CZ 4.01Å; W481-A492 HydrophobicContact CB-CB 3.58Å; W481-A492 HydrophobicContact CG-CB 3.84Å; W481-W520 AromaticContact CH2-CH2 3.66Å; W481-W520 HydrophobicContact CH2-CH2 3.66Å; W481-W520 AromaticContact CH2-CZ3 3.6Å; W481-W520 HydrophobicContact CH2-CZ3 3.6Å; W481-W520 HydrophobicContact CZ2-CH2 4.38Å; W481-W520 HydrophobicContact CZ2-CZ3 4.03Å; W481-W520 AromaticContact CZ3-CH2 3.86Å; W481-W520 HydrophobicContact CZ3-CH2 3.86Å; W481-W520 HydrophobicContact CZ3-CZ3 4.27Å
482	K	88.3	Confident	85.8	Confident	142 Å²	142	52.6 Å²	52.6	62%	0.617	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-60.4	-22.9	-174.3	-63.7	173.4	-174.4	169.2	0	113.4	S479 H480 F484	S479-K482 PolarHBondContact O-N 3.14Å; H480-K482 VanDerWaalsContact C-N 3.31Å; H480-K482 PolarHBondContact O-N 2.9Å; K482-F484 VanDerWaalsContact C-N 3.31Å; K482-F484 PolarHBondContact O-N 3.15Å
483	R	88.3	Confident	85.7	Confident	115 Å²	115	53 Å²	53	43%	0.434	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-73.5	-16.9	177.2	75.5	-172.6	-81.9	144.8	0.4	114.7	H480 W481 F528	H480-R483 VanDerWaalsContact O-CG 3.3Å; H480-R483 WeakPolarHBondContact O-CG 3.37Å; W481-R483 PolarHBondContact O-N 2.9Å; R483-F528 PolarHBondContact NH2-O 2.04Å
484	F	89.5	Confident	85.5	Confident	9 Å²	9	54.5 Å²	54.5	4%	0.039	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-8.4	-176.4	-54.8	-67.9	0	0	0	112.7	L457 I460 W481 K482 W520 F528	L457-F484 WeakPolarHBondContact O-CE1 3.4Å; I460-F484 PolarHBondContact N-O 2.8Å; W481-F484 HydrophobicContact CE3-CD2 4.09Å; W481-F484 HydrophobicContact CZ3-CD2 4.46Å; W481-F484 PolarHBondContact O-N 2.52Å; K482-F484 VanDerWaalsContact C-N 3.31Å; K482-F484 PolarHBondContact O-N 3.15Å; F484-W520 HydrophobicContact CD2-CH2 4.35Å; F484-W520 HydrophobicContact CD2-CZ2 4.4Å; F484-W520 AromaticContact CE1-CZ2 3.9Å; F484-W520 HydrophobicContact CE1-CZ2 3.9Å; F484-W520 AromaticContact CE2-CH2 3.78Å; F484-W520 HydrophobicContact CE2-CH2 3.78Å; F484-W520 AromaticContact CE2-CZ2 3.62Å; F484-W520 HydrophobicContact CE2-CZ2 3.62Å; F484-W520 AromaticContact CZ-CH2 3.99Å; F484-W520 HydrophobicContact CZ-CH2 3.99Å; F484-W520 AromaticContact CZ-CZ2 3.32Å; F484-W520 HydrophobicContact CZ-CZ2 3.32Å; F484-F528 HydrophobicContact CZ-CD1 4.4Å; F484-F528 HydrophobicContact CZ-CE1 4.37Å; F484-F528 HydrophobicContact CZ-CZ 4.47Å
485	F	90.1	Very high	85.3	Confident	30 Å²	30	57.7 Å²	57.7	13%	0.132	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-84.4	143.3	178.9	-63.1	-25.9	0	0	0	111.9	I460 V465 W481 Q490 A492	I460-F485 HydrophobicContact CB-CD1 4.3Å; V465-F485 HydrophobicContact CB-CE1 4.48Å; V465-F485 HydrophobicContact CB-CZ 4.22Å; V465-F485 HydrophobicContact CG2-CE1 3.56Å; V465-F485 HydrophobicContact CG2-CZ 3.78Å; W481-F485 HydrophobicContact CB-CE2 4.25Å; W481-F485 HydrophobicContact CB-CZ 4.01Å; F485-Q490 HydrophobicContact CB-CB 4.04Å; F485-Q490 HydrophobicContact CD1-CB 3.92Å; F485-Q490 HydrophobicContact CD1-CG 4.46Å; F485-Q490 HydrophobicContact CD2-CB 3.62Å; F485-Q490 HydrophobicContact CE1-CB 4.25Å; F485-Q490 HydrophobicContact CE2-CB 3.98Å; F485-Q490 HydrophobicContact CG-CB 3.6Å; F485-Q490 HydrophobicContact CG-CG 4.39Å; F485-Q490 HydrophobicContact CZ-CB 4.27Å; F485-A492 HydrophobicContact CE2-CB 4.31Å; F485-A492 HydrophobicContact CZ-CB 4.15Å
486	I	81.3	Confident	85.1	Confident	119 Å²	119	60.9 Å²	60.9	61%	0.61	36%	0.357	S	S	*	.	S	Bend	trans	-104.8	-32.5	176.7	-59.8	-58	0	0	0	111	E459	E459-I486 HydrophobicContact CG-CD1 4.08Å; E459-I486 HydrophobicContact CG-CG1 3.72Å
487	S	74.8	Confident	85.2	Confident	57 Å²	57	61.1 Å²	61.1	40%	0.399	36%	0.359	S	S	.	.	S	Bend	trans	-96.6	125.3	176.5	175.1	0	0	0	0	110.8	G489 Q490	S487-G489 PolarHBondContact O-N 3.2Å; S487-Q490 WeakPolarHBondContact O-CB 3.23Å; S487-Q490 PolarHBondContact O-N 2.84Å; S487-Q490 PolarHBondContact O-OE1 3.45Å
488	G	70.9	Confident	85.4	Confident	94 Å²	94	59.3 Å²	59.3	97%	0.969	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-1.8	178.3	0	0	0	0	0	115.4
489	G	74.3	Confident	85.4	Confident	61 Å²	61	59.7 Å²	59.7	63%	0.629	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.5	171.3	0	0	0	0	0	115.1	S487	S487-G489 PolarHBondContact O-N 3.2Å
490	Q	85.1	Confident	85.2	Confident	19 Å²	19	60.5 Å²	60.5	9%	0.089	36%	0.364	C	S	.	.			trans	-73.7	140.2	179.8	-68.1	173.3	-94.1	0	0	111.7	I460 D462 G463 F485 S487	I460-Q490 PolarHBondContact O-NE2 3.05Å; I460-Q490 PolarHBondContact O-OE1 3.19Å; D462-Q490 VanDerWaalsContact C-NE2 3.34Å; G463-Q490 PolarHBondContact O-NE2 3.04Å; F485-Q490 HydrophobicContact CB-CB 4.04Å; F485-Q490 HydrophobicContact CD1-CB 3.92Å; F485-Q490 HydrophobicContact CD1-CG 4.46Å; F485-Q490 HydrophobicContact CD2-CB 3.62Å; F485-Q490 HydrophobicContact CE1-CB 4.25Å; F485-Q490 HydrophobicContact CE2-CB 3.98Å; F485-Q490 HydrophobicContact CG-CB 3.6Å; F485-Q490 HydrophobicContact CG-CG 4.39Å; F485-Q490 HydrophobicContact CZ-CB 4.27Å; S487-Q490 WeakPolarHBondContact O-CB 3.23Å; S487-Q490 PolarHBondContact O-N 2.84Å; S487-Q490 PolarHBondContact O-OE1 3.45Å
491	T	87.8	Confident	85	Confident	72 Å²	72	63.3 Å²	63.3	44%	0.442	38%	0.384	S	S	.	.			trans	-122.3	156.5	179.2	69.2	0	0	0	0	112.6	D464 V465	D464-T491 WeakPolarHBondContact CA-O 3.3Å; D464-T491 VanDerWaalsContact CG-OG1 3.24Å; D464-T491 WeakPolarHBondContact OD1-CA 3.46Å; D464-T491 WeakPolarHBondContact OD1-CB 3.36Å; D464-T491 PolarHBondContact OD1-N 3.28Å; D464-T491 PolarHBondContact OD1-OG1 3.49Å; V465-T491 PolarHBondContact N-O 2.94Å
492	A	89.5	Confident	84.9	Confident	24 Å²	24	65.7 Å²	65.7	20%	0.198	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123	172.8	0	0	0	0	0	109.7	V465 W481 F485	V465-A492 HydrophobicContact CB-CB 4.39Å; V465-A492 CarbonylContact O-C 3.52Å; V465-A492 WeakPolarHBondContact O-CA 3.49Å; W481-A492 HydrophobicContact CB-CB 3.58Å; W481-A492 HydrophobicContact CG-CB 3.84Å; F485-A492 HydrophobicContact CE2-CB 4.31Å; F485-A492 HydrophobicContact CZ-CB 4.15Å
493	T	89.4	Confident	85	Confident	62 Å²	62	59.2 Å²	59.2	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	106.9	172.8	-56.7	0	0	0	0	109.2	V465 V466 I467 I468	V465-T493 PolarHBondContact O-N 2.97Å; V466-T493 WeakPolarHBondContact CA-O 3.42Å; I467-T493 PolarHBondContact N-O 3.03Å; I468-T493 HydrophobicContact CG2-CG2 4.19Å
494	V	88.8	Confident	84.9	Confident	38 Å²	38	58.2 Å²	58.2	23%	0.23	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.2	179	-173.1	0	0	0	0	108.6	I467 D478 N497	I467-V494 WeakPolarHBondContact O-CA 3.49Å; D478-V494 HydrophobicContact CB-CB 4.31Å; D478-V494 HydrophobicContact CB-CG2 4.24Å; V494-N497 VanDerWaalsContact CG1-ND2 3.34Å; V494-N497 WeakPolarHBondContact CG1-ND2 3.3Å
495	N	86.2	Confident	84.9	Confident	69 Å²	69	64.8 Å²	64.8	37%	0.369	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	166.1	-178.9	74.4	20.6	0	0	0	113	I467 I468 K469 N497	I467-N495 PolarHBondContact O-N 3.05Å; I468-N495 VanDerWaalsContact CA-O 3.26Å; I468-N495 WeakPolarHBondContact CA-O 3.31Å; I468-N495 VanDerWaalsContact CB-OD1 3.26Å; I468-N495 WeakPolarHBondContact CB-OD1 3.36Å; I468-N495 WeakPolarHBondContact CG2-OD1 3.12Å; K469-N495 PolarHBondContact N-O 3.44Å; K469-N495 VanDerWaalsContact N-O 3.12Å; N495-N497 PolarHBondContact O-N 3.22Å; N495-N497 PolarHBondContact O-ND2 2.94Å; N495-N497 PolarHBondContact O-OD1 2.86Å
496	E	84.8	Confident	84.8	Confident	101 Å²	101	69.4 Å²	69.4	47%	0.472	43%	0.429	S	S	.	.	S	Bend	trans	55.8	15.4	178.2	-58.9	-175.5	-119.4	0	0	115.7	K469 H471	K469-E496 HydrophobicContact CB-CB 4.39Å; K469-E496 WeakPolarHBondContact CE-OE1 3.47Å; K469-E496 HydrophobicContact CG-CB 3.9Å; K469-E496 HydrophobicContact CG-CG 4.42Å; K469-E496 IonicContact NZ-OE1 3.55Å; K469-E496 PolarHBondContact NZ-OE1 2.93Å; K469-E496 IonicContact NZ-OE2 2.72Å; K469-E496 PolarHBondContact NZ-OE2 2.04Å; H471-E496 PolarHBondContact CE1-O 2.93Å; H471-E496 PolarHBondContact ND1-O 3.44Å
497	N	88.9	Confident	85.1	Confident	32 Å²	32	70.1 Å²	70.1	17%	0.171	44%	0.435	C	S	.	.	S	Bend	trans	-89.1	-178.2	172.5	-53.4	-41.4	0	0	0	110.7	I467 K469 N470 V494 N495	I467-N497 PolarHBondContact O-ND2 3.02Å; K469-N497 PolarHBondContact N-OD1 2.86Å; N470-N497 WeakPolarHBondContact CB-OD1 3.04Å; N470-N497 PolarHBondContact N-OD1 2.99Å; N470-N497 PolarHBondContact ND2-OD1 2.94Å; N470-N497 VanDerWaalsContact ND2-OD1 3.11Å; N470-N497 WeakPolarHBondContact O-CA 3.32Å; V494-N497 VanDerWaalsContact CG1-ND2 3.34Å; V494-N497 WeakPolarHBondContact CG1-ND2 3.3Å; N495-N497 PolarHBondContact O-N 3.22Å; N495-N497 PolarHBondContact O-ND2 2.94Å; N495-N497 PolarHBondContact O-OD1 2.86Å
498	A	87	Confident	85.8	Confident	23 Å²	23	69.3 Å²	69.3	19%	0.19	42%	0.424	C	S	.	.			trans	-63	137.6	173.8	0	0	0	0	0	111	L473	L473-A498 WeakPolarHBondContact O-CB 3.3Å; L473-A498 PolarHBondContact O-N 2.76Å
499	N	84.9	Confident	86.7	Confident	89 Å²	89	68.1 Å²	68.1	48%	0.476	40%	0.398	S	S	.	.			trans	-80	153.8	177.6	71.8	11.5	0	0	0	111.5	T501 V502 C503	N499-T501 PolarHBondContact O-N 3.35Å; N499-T501 PolarHBondContact OD1-OG1 3.32Å; N499-V502 PolarHBondContact O-N 2.74Å; N499-V502 VanDerWaalsContact O-N 3.16Å; N499-V502 WeakPolarHBondContact OD1-CB 3.42Å; N499-V502 WeakPolarHBondContact OD1-CG2 3.46Å; N499-V502 PolarHBondContact OD1-N 3.28Å; N499-C503 PolarHBondContact O-N 3.15Å; N499-C503 PolarHBondContact O-SG 2.75Å
500	A	81.6	Confident	87.5	Confident	77 Å²	77	67.3 Å²	67.3	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-57.4	-35.1	-175.1	0	0	0	0	0	113.1	C503 V504	A500-C503 PolarHBondContact O-N 3.18Å; A500-V504 WeakPolarHBondContact O-CG2 3.29Å; A500-V504 PolarHBondContact O-N 3.32Å
501	T	84.9	Confident	87.9	Confident	96 Å²	96	68.5 Å²	68.5	59%	0.589	39%	0.389	S	S	*	.	H	α-helix	trans	-68.7	-40.5	178.9	49	0	0	0	0	112.7	N499 V504 L505	N499-T501 PolarHBondContact O-N 3.35Å; N499-T501 PolarHBondContact OD1-OG1 3.32Å; T501-V504 PolarHBondContact O-N 3.17Å; T501-L505 WeakPolarHBondContact O-CB 3.32Å; T501-L505 VanDerWaalsContact O-CG 3.28Å; T501-L505 WeakPolarHBondContact O-CG 3.42Å; T501-L505 PolarHBondContact O-N 3.36Å
502	V	87.6	Confident	88.1	Confident	50 Å²	50	72.1 Å²	72.1	30%	0.303	40%	0.395	S	S	.	.	H	α-helix	trans	-69	-35.6	172.6	170	0	0	0	0	111.3	N499 L505 R506	N499-V502 PolarHBondContact O-N 2.74Å; N499-V502 VanDerWaalsContact O-N 3.16Å; N499-V502 WeakPolarHBondContact OD1-CB 3.42Å; N499-V502 WeakPolarHBondContact OD1-CG2 3.46Å; N499-V502 PolarHBondContact OD1-N 3.28Å; V502-L505 PolarHBondContact O-N 3.09Å; V502-R506 HydrophobicContact CG1-CG 4.25Å; V502-R506 VanDerWaalsContact O-CB 3.31Å; V502-R506 WeakPolarHBondContact O-CB 3.48Å; V502-R506 VanDerWaalsContact O-CG 3.23Å; V502-R506 WeakPolarHBondContact O-CG 3.47Å; V502-R506 PolarHBondContact O-N 2.97Å
503	C	89.1	Confident	88.4	Confident	7 Å²	7	72.8 Å²	72.8	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-62.1	-45.6	173.3	-66.8	0	0	0	0	112	C474 N499 A500 R506 N507 K508	C474-C503 VanDerWaalsContact CA-SG 3.5Å; C474-C503 HydrophobicContact CB-CB 3.82Å; C474-C503 WeakPolarHBondContact CB-SG 3.48Å; C474-C503 WeakPolarHBondContact SG-CB 3.46Å; C474-C503 CovalentContact SG-SG 2.04Å; C474-C503 PolarHBondContact SG-SG 2.75Å; N499-C503 PolarHBondContact O-N 3.15Å; N499-C503 PolarHBondContact O-SG 2.75Å; A500-C503 PolarHBondContact O-N 3.18Å; C503-R506 CarbonylContact O-C 3.55Å; C503-R506 PolarHBondContact O-N 3.34Å; C503-N507 PolarHBondContact O-N 2.01Å; C503-K508 HydrophobicContact CB-CB 4.4Å; C503-K508 PolarHBondContact O-N 3.18Å
504	V	87.6	Confident	88.5	Confident	94 Å²	94	70.4 Å²	70.4	57%	0.57	38%	0.378	S	S	*	.	H	α-helix	trans	-61.5	-46.4	174.2	171	0	0	0	0	111.5	A500 T501 R506 N507 T509	A500-V504 WeakPolarHBondContact O-CG2 3.29Å; A500-V504 PolarHBondContact O-N 3.32Å; T501-V504 PolarHBondContact O-N 3.17Å; V504-R506 PolarHBondContact O-N 3.06Å; V504-N507 PolarHBondContact O-N 3.19Å; V504-T509 HydrophobicContact CB-CG2 4.48Å; V504-T509 HydrophobicContact CG2-CG2 3.83Å
505	L	88.6	Confident	88.6	Confident	147 Å²	147	70.3 Å²	70.3	77%	0.77	38%	0.378	S	S	*	.	H	α-helix	trans	-62.3	-28.4	176.4	-73.5	167.5	0	0	0	113.4	T501 V502 N507	T501-L505 WeakPolarHBondContact O-CB 3.32Å; T501-L505 VanDerWaalsContact O-CG 3.28Å; T501-L505 WeakPolarHBondContact O-CG 3.42Å; T501-L505 PolarHBondContact O-N 3.36Å; V502-L505 PolarHBondContact O-N 3.09Å; L505-N507 VanDerWaalsContact C-N 3.31Å
506	R	88.1	Confident	88.6	Confident	126 Å²	126	72 Å²	72	48%	0.475	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	6	173.8	-70	174.9	176.9	-169.8	-3.1	113.5	N472 V502 C503 V504 K508	N472-R506 PolarHBondContact OD1-NH1 3.43Å; N472-R506 VanDerWaalsContact OD1-NH1 3.13Å; V502-R506 HydrophobicContact CG1-CG 4.25Å; V502-R506 VanDerWaalsContact O-CB 3.31Å; V502-R506 WeakPolarHBondContact O-CB 3.48Å; V502-R506 VanDerWaalsContact O-CG 3.23Å; V502-R506 WeakPolarHBondContact O-CG 3.47Å; V502-R506 PolarHBondContact O-N 2.97Å; C503-R506 CarbonylContact O-C 3.55Å; C503-R506 PolarHBondContact O-N 3.34Å; V504-R506 PolarHBondContact O-N 3.06Å; R506-K508 HydrophobicContact CB-CD 4.37Å; R506-K508 HydrophobicContact CB-CG 4.27Å; R506-K508 PolarHBondContact O-N 3.38Å
507	N	87.3	Confident	88.6	Confident	135 Å²	135	71.1 Å²	71.1	72%	0.722	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	27.2	-173.5	-160.8	33.3	0	0	0	114.2	C503 V504 L505 T509	C503-N507 PolarHBondContact O-N 2.01Å; V504-N507 PolarHBondContact O-N 3.19Å; L505-N507 VanDerWaalsContact C-N 3.31Å; N507-T509 PolarHBondContact O-N 3.29Å
508	K	89.4	Confident	88.7	Confident	40 Å²	40	69.9 Å²	69.9	17%	0.174	40%	0.396	C	S	.	.			trans	-93.3	74.8	177.2	-73.5	-177.7	167.9	175.4	0	109.9	D450 C474 Y475 C503 R506	D450-K508 IonicContact OD1-NZ 2.8Å; D450-K508 PolarHBondContact OD1-NZ 3.22Å; D450-K508 WeakPolarHBondContact OD2-CE 3.44Å; D450-K508 IonicContact OD2-NZ 3.32Å; D450-K508 PolarHBondContact OD2-NZ 3.09Å; C474-K508 HydrophobicContact CB-CB 3.94Å; C474-K508 HydrophobicContact CB-CD 4.44Å; Y475-K508 HydrophobicContact CE1-CB 4.46Å; Y475-K508 HydrophobicContact CE2-CB 4.22Å; Y475-K508 WeakPolarHBondContact OH-CA 3.41Å; C503-K508 HydrophobicContact CB-CB 4.4Å; C503-K508 PolarHBondContact O-N 3.18Å; R506-K508 HydrophobicContact CB-CD 4.37Å; R506-K508 HydrophobicContact CB-CG 4.27Å; R506-K508 PolarHBondContact O-N 3.38Å
509	T	89.9	Confident	89	Confident	68 Å²	68	68.8 Å²	68.8	42%	0.417	39%	0.386	S	S	.	.			trans	-132.3	161.2	-179.5	59.7	0	0	0	0	111.2	Y475 V504 N507	Y475-T509 WeakPolarHBondContact CE1-O 3.26Å; V504-T509 HydrophobicContact CB-CG2 4.48Å; V504-T509 HydrophobicContact CG2-CG2 3.83Å; N507-T509 PolarHBondContact O-N 3.29Å
510	C	91.8	Very high	89.4	Confident	44 Å²	44	64.7 Å²	64.7	30%	0.297	36%	0.364	S	S	.	.			trans	-62.3	152.9	-179	-59.9	0	0	0	0	113	C514 C519	C510-C514 HydrophobicContact CB-CB 4.28Å; C510-C519 WeakPolarHBondContact CA-SG 3.11Å; C510-C519 HydrophobicContact CB-CB 3.79Å; C510-C519 WeakPolarHBondContact CB-SG 3.45Å; C510-C519 WeakPolarHBondContact SG-CB 3.44Å; C510-C519 PolarHBondContact SG-N 3.27Å; C510-C519 VanDerWaalsContact SG-N 3.42Å; C510-C519 CovalentContact SG-SG 2.03Å; C510-C519 PolarHBondContact SG-SG 2.98Å
511	D	93.2	Very high	89.9	Confident	44 Å²	44	61 Å²	61	24%	0.235	33%	0.334	C	S	.	.			trans	-60.1	142.6	174.9	-172.4	-64.3	0	0	0	110.9	K513 C514	D511-K513 PolarHBondContact O-N 3.29Å; D511-K513 WeakPolarHBondContact OD1-CB 3.43Å; D511-K513 VanDerWaalsContact OD1-CG 3.31Å; D511-K513 WeakPolarHBondContact OD1-CG 3.49Å; D511-K513 PolarHBondContact OD1-N 2.61Å; D511-C514 WeakPolarHBondContact O-CB 3.38Å; D511-C514 PolarHBondContact O-N 3.38Å; D511-C514 PolarHBondContact O-SG 3.3Å; D511-C514 VanDerWaalsContact O-SG 3.41Å
512	R	92.8	Very high	90.3	Very high	149 Å²	149	59.3 Å²	59.3	56%	0.562	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.3	177.9	63.8	162.8	-166.7	72.9	-3.7	115.1	R531 D541	R512-R531 PolarHBondContact O-NH1 3.42Å; R512-D541 IonicContact CZ-OD1 3.95Å; R512-D541 IonicContact CZ-OD2 3.46Å; R512-D541 IonicContact NH1-OD1 3.61Å; R512-D541 PolarHBondContact NH1-OD1 3.35Å; R512-D541 IonicContact NH1-OD2 2.71Å; R512-D541 IonicContact NH2-OD1 3.84Å; R512-D541 PolarHBondContact NH2-OD1 3.48Å; R512-D541 IonicContact NH2-OD2 3.61Å; R512-D541 PolarHBondContact NH2-OD2 2.9Å
513	K	93.8	Very high	90.5	Very high	38 Å²	38	58 Å²	58	17%	0.165	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.5	176.7	-59.5	176.8	-168.6	165.8	0	113.8	D511 P524 R531 C539 D541	D511-K513 PolarHBondContact O-N 3.29Å; D511-K513 WeakPolarHBondContact OD1-CB 3.43Å; D511-K513 VanDerWaalsContact OD1-CG 3.31Å; D511-K513 WeakPolarHBondContact OD1-CG 3.49Å; D511-K513 PolarHBondContact OD1-N 2.61Å; K513-P524 HydrophobicContact CD-CB 4.2Å; K513-R531 VanDerWaalsContact O-CB 3.29Å; K513-R531 WeakPolarHBondContact O-CB 3.45Å; K513-R531 PolarHBondContact O-N 3.47Å; K513-C539 HydrophobicContact CB-CB 3.83Å; K513-C539 HydrophobicContact CD-CB 4.44Å; K513-C539 WeakPolarHBondContact CD-O 3.37Å; K513-C539 PolarHBondContact NZ-O 3.2Å; K513-D541 VanDerWaalsContact CE-OD2 3.23Å; K513-D541 WeakPolarHBondContact CE-OD2 3.42Å
514	C	92.6	Very high	90.7	Very high	11 Å²	11	59.1 Å²	59.1	7%	0.074	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-67.1	156.8	169.4	-53.9	0	0	0	0	110.1	C510 D511 C527	C510-C514 HydrophobicContact CB-CB 4.28Å; D511-C514 WeakPolarHBondContact O-CB 3.38Å; D511-C514 PolarHBondContact O-N 3.38Å; D511-C514 PolarHBondContact O-SG 3.3Å; D511-C514 VanDerWaalsContact O-SG 3.41Å; C514-C527 WeakPolarHBondContact CA-SG 3.2Å; C514-C527 HydrophobicContact CB-CB 3.62Å; C514-C527 WeakPolarHBondContact CB-SG 3.24Å; C514-C527 PolarHBondContact N-SG 3.21Å; C514-C527 WeakPolarHBondContact SG-CA 3.02Å; C514-C527 WeakPolarHBondContact SG-CB 3.44Å; C514-C527 CovalentContact SG-SG 2.03Å; C514-C527 PolarHBondContact SG-SG 2.83Å
515	T	90.7	Very high	90.9	Very high	36 Å²	36	57 Å²	57	22%	0.221	31%	0.314	C	S	.	.			trans	-69.5	170.6	162	56.4	0	0	0	0	110.8	D517 A529	T515-D517 WeakPolarHBondContact CB-OD2 3.46Å; T515-D517 PolarHBondContact O-N 3.22Å; T515-D517 VanDerWaalsContact O-N 3.12Å; T515-D517 VanDerWaalsContact OG1-CG 3.22Å; T515-D517 PolarHBondContact OG1-N 2.77Å; T515-D517 PolarHBondContact OG1-OD2 2.95Å; T515-A529 HydrophobicContact CG2-CB 3.92Å; T515-A529 PolarHBondContact N-O 3.42Å
516	A	86.9	Confident	91.1	Very high	106 Å²	106	50.9 Å²	50.9	88%	0.876	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-0.1	171.5	0	0	0	0	0	113.4	G518	A516-G518 VanDerWaalsContact C-N 3.31Å; A516-G518 PolarHBondContact O-N 3.45Å
517	D	85.3	Confident	91.3	Very high	81 Å²	81	45.7 Å²	45.7	43%	0.433	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.5	-175.5	-39.1	-51.7	0	0	0	113.8	H480 T515 F528	H480-D517 PolarHBondContact CD2-O 2.86Å; H480-D517 PolarHBondContact NE2-O 2.86Å; T515-D517 WeakPolarHBondContact CB-OD2 3.46Å; T515-D517 PolarHBondContact O-N 3.22Å; T515-D517 VanDerWaalsContact O-N 3.12Å; T515-D517 VanDerWaalsContact OG1-CG 3.22Å; T515-D517 PolarHBondContact OG1-N 2.77Å; T515-D517 PolarHBondContact OG1-OD2 2.95Å; D517-F528 WeakPolarHBondContact O-CD2 3.4Å; D517-F528 VanDerWaalsContact O-CE2 3.24Å; D517-F528 WeakPolarHBondContact O-CE2 3.35Å
518	G	89.6	Confident	91.5	Very high	7 Å²	7	40.5 Å²	40.5	7%	0.072	24%	0.235	C	C	.	.			trans	106.1	179.5	176.5	0	0	0	0	0	116.5	A516 F528	A516-G518 VanDerWaalsContact C-N 3.31Å; A516-G518 PolarHBondContact O-N 3.45Å; G518-F528 VanDerWaalsContact C-CD2 3.48Å; G518-F528 WeakPolarHBondContact O-CG 3.48Å; G518-F528 PolarHBondContact O-N 2.81Å; G518-F528 VanDerWaalsContact O-N 3.16Å
519	C	93.1	Very high	91.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-154.6	157.5	-177.5	65.6	0	0	0	0	112	C510 G521 M526	C510-C519 WeakPolarHBondContact CA-SG 3.11Å; C510-C519 HydrophobicContact CB-CB 3.79Å; C510-C519 WeakPolarHBondContact CB-SG 3.45Å; C510-C519 WeakPolarHBondContact SG-CB 3.44Å; C510-C519 PolarHBondContact SG-N 3.27Å; C510-C519 VanDerWaalsContact SG-N 3.42Å; C510-C519 CovalentContact SG-SG 2.03Å; C510-C519 PolarHBondContact SG-SG 2.98Å; C519-G521 VanDerWaalsContact C-N 3.32Å; C519-G521 PolarHBondContact O-N 2.69Å; C519-G521 PolarHBondContact SG-O 3.19Å; C519-M526 CarbonylContact C-O 3.54Å; C519-M526 VanDerWaalsContact CA-O 3.3Å; C519-M526 WeakPolarHBondContact CA-O 3.16Å; C519-M526 WeakPolarHBondContact CB-O 3.07Å
520	W	93	Very high	91.6	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.011	23%	0.229	C	C	.	.	S	Bend	trans	-81.3	-6.7	179.4	-69.8	109	0	0	0	114.8	L452 G453 L454 R455 L457 M476 W481 F484 M526 F528	L452-W520 HydrophobicContact CB-CE3 4.17Å; L452-W520 HydrophobicContact CD1-CE3 4.26Å; L452-W520 HydrophobicContact CD1-CZ3 3.96Å; L452-W520 PolarHBondContact N-O 3.2Å; G453-W520 PolarHBondContact N-O 3.31Å; L454-W520 HydrophobicContact CB-CD2 4.13Å; L454-W520 HydrophobicContact CB-CE3 4Å; L454-W520 HydrophobicContact CB-CH2 4.43Å; L454-W520 HydrophobicContact CB-CZ3 4.16Å; L454-W520 HydrophobicContact CD1-CZ3 4.37Å; L454-W520 PolarHBondContact O-NE1 3.29Å; R455-W520 VanDerWaalsContact CA-CD1 3.45Å; L457-W520 HydrophobicContact CB-CH2 4.46Å; L457-W520 HydrophobicContact CB-CZ2 3.9Å; L457-W520 HydrophobicContact CD2-CH2 3.79Å; L457-W520 HydrophobicContact CD2-CZ2 4.03Å; L457-W520 HydrophobicContact CG-CZ2 4.43Å; M476-W520 HydrophobicContact CE-CE3 4.11Å; M476-W520 HydrophobicContact CE-CH2 4.16Å; M476-W520 HydrophobicContact CE-CZ3 3.63Å; M476-W520 HydrophobicContact SD-CE3 3.8Å; M476-W520 HydrophobicContact SD-CZ3 3.96Å; W481-W520 AromaticContact CH2-CH2 3.66Å; W481-W520 HydrophobicContact CH2-CH2 3.66Å; W481-W520 AromaticContact CH2-CZ3 3.6Å; W481-W520 HydrophobicContact CH2-CZ3 3.6Å; W481-W520 HydrophobicContact CZ2-CH2 4.38Å; W481-W520 HydrophobicContact CZ2-CZ3 4.03Å; W481-W520 AromaticContact CZ3-CH2 3.86Å; W481-W520 HydrophobicContact CZ3-CH2 3.86Å; W481-W520 HydrophobicContact CZ3-CZ3 4.27Å; F484-W520 HydrophobicContact CD2-CH2 4.35Å; F484-W520 HydrophobicContact CD2-CZ2 4.4Å; F484-W520 AromaticContact CE1-CZ2 3.9Å; F484-W520 HydrophobicContact CE1-CZ2 3.9Å; F484-W520 AromaticContact CE2-CH2 3.78Å; F484-W520 HydrophobicContact CE2-CH2 3.78Å; F484-W520 AromaticContact CE2-CZ2 3.62Å; F484-W520 HydrophobicContact CE2-CZ2 3.62Å; F484-W520 AromaticContact CZ-CH2 3.99Å; F484-W520 HydrophobicContact CZ-CH2 3.99Å; F484-W520 AromaticContact CZ-CZ2 3.32Å; F484-W520 HydrophobicContact CZ-CZ2 3.32Å; W520-M526 HydrophobicContact CB-SD 4.17Å; W520-M526 PolarHBondContact N-O 2.95Å; W520-F528 HydrophobicContact CB-CE1 4.46Å; W520-F528 AromaticContact CD1-CD1 3.49Å; W520-F528 VanDerWaalsContact CD1-CD1 3.49Å; W520-F528 AromaticContact CD1-CE1 3.54Å; W520-F528 HydrophobicContact CD2-CD1 4.31Å; W520-F528 AromaticContact CD2-CE1 3.61Å; W520-F528 HydrophobicContact CD2-CE1 3.61Å; W520-F528 AromaticContact CE2-CD1 3.99Å; W520-F528 AromaticContact CE2-CE1 3.58Å; W520-F528 HydrophobicContact CE3-CE1 4.25Å; W520-F528 HydrophobicContact CG-CD1 4.08Å; W520-F528 AromaticContact CG-CE1 3.66Å; W520-F528 HydrophobicContact CG-CE1 3.66Å; W520-F528 HydrophobicContact CZ2-CE1 4.22Å; W520-F528 AromaticContact NE1-CD1 3.49Å; W520-F528 AromaticContact NE1-CE1 3.56Å
521	G	93.5	Very high	91.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	164.2	-170.9	-171.6	0	0	0	0	0	112.7	C519 M526	C519-G521 VanDerWaalsContact C-N 3.32Å; C519-G521 PolarHBondContact O-N 2.69Å; C519-G521 PolarHBondContact SG-O 3.19Å; G521-M526 VanDerWaalsContact O-CB 3.3Å; G521-M526 WeakPolarHBondContact O-CB 3.39Å
522	P	92	Very high	91.6	Very high	60 Å²	60	41.4 Å²	41.4	39%	0.39	24%	0.235	S	C	.	.	S	Bend	trans	-74.5	146	179.8	30.9	-33.9	0	0	0	112.4	Y451 Y475 M526	Y451-P522 HydrophobicContact CD1-CG 4.46Å; Y475-P522 HydrophobicContact CE1-CB 4.39Å; P522-M526 WeakPolarHBondContact O-CG 3.22Å
523	G	92.1	Very high	91.6	Very high	21 Å²	21	38 Å²	38	22%	0.216	22%	0.222	C	C	.	.	S	Bend	trans	99.1	165.7	172.5	0	0	0	0	0	115.2	D525 M526	G523-D525 PolarHBondContact O-N 3.32Å; G523-M526 PolarHBondContact O-N 3.41Å
524	P	92.9	Very high	91.6	Very high	32 Å²	32	37.3 Å²	37.3	21%	0.208	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-9.2	-169.1	31.8	-36.6	0	0	0	114.8	K513 C539	K513-P524 HydrophobicContact CD-CB 4.2Å; P524-C539 HydrophobicContact CB-CB 4.27Å; P524-C539 WeakPolarHBondContact O-CB 3.45Å; P524-C539 PolarHBondContact O-N 2.82Å; P524-C539 PolarHBondContact O-SG 2.83Å; P524-C539 VanDerWaalsContact O-SG 3.38Å
525	D	92.4	Very high	91.5	Very high	50 Å²	50	40.1 Å²	40.1	27%	0.267	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.1	171.4	70.3	-56.6	0	0	0	113.5	R455 G523	R455-D525 WeakPolarHBondContact CD-O 3.22Å; R455-D525 IonicContact CZ-OD2 2.69Å; R455-D525 IonicContact NE-OD2 2.75Å; R455-D525 IonicContact NH1-OD2 2.64Å; R455-D525 PolarHBondContact NH1-OD2 2.69Å; G523-D525 PolarHBondContact O-N 3.32Å
526	M	93.4	Very high	91.3	Very high	17 Å²	17	44 Å²	44	8%	0.084	26%	0.26	C	S	.	.	S	Bend	trans	-97.5	-5.9	178.7	-66.5	-69	163.8	0	0	113.4	Y451 R455 C519 W520 G521 P522 G523	Y451-M526 HydrophobicContact CE2-CE 4.42Å; R455-M526 HydrophobicContact CB-SD 3.98Å; C519-M526 CarbonylContact C-O 3.54Å; C519-M526 VanDerWaalsContact CA-O 3.3Å; C519-M526 WeakPolarHBondContact CA-O 3.16Å; C519-M526 WeakPolarHBondContact CB-O 3.07Å; W520-M526 HydrophobicContact CB-SD 4.17Å; W520-M526 PolarHBondContact N-O 2.95Å; G521-M526 VanDerWaalsContact O-CB 3.3Å; G521-M526 WeakPolarHBondContact O-CB 3.39Å; P522-M526 WeakPolarHBondContact O-CG 3.22Å; G523-M526 PolarHBondContact O-N 3.41Å
527	C	92.4	Very high	91.1	Very high	18 Å²	18	41.4 Å²	41.4	12%	0.122	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-63.8	139.2	179.8	-56.6	0	0	0	0	112.3	C514 A529 C539	C514-C527 WeakPolarHBondContact CA-SG 3.2Å; C514-C527 HydrophobicContact CB-CB 3.62Å; C514-C527 WeakPolarHBondContact CB-SG 3.24Å; C514-C527 PolarHBondContact N-SG 3.21Å; C514-C527 WeakPolarHBondContact SG-CA 3.02Å; C514-C527 WeakPolarHBondContact SG-CB 3.44Å; C514-C527 CovalentContact SG-SG 2.03Å; C514-C527 PolarHBondContact SG-SG 2.83Å; C527-A529 VanDerWaalsContact C-N 3.27Å; C527-A529 PolarHBondContact O-N 3.49Å; C527-C539 VanDerWaalsContact SG-SG 3.66Å
528	F	90	Very high	91.4	Very high	26 Å²	26	39.3 Å²	39.3	11%	0.114	24%	0.236	C	C	.	.	S	Bend	trans	-70.8	-25.1	172.7	-56.5	-21	0	0	0	113.3	M476 H480 R483 F484 D517 G518 W520	M476-F528 HydrophobicContact CE-CZ 3.88Å; M476-F528 HydrophobicContact SD-CE1 4.2Å; M476-F528 HydrophobicContact SD-CZ 3.69Å; H480-F528 HydrophobicContact CB-CE2 4.17Å; H480-F528 AromaticContact CD2-CE2 3.76Å; R483-F528 PolarHBondContact NH2-O 2.04Å; F484-F528 HydrophobicContact CZ-CD1 4.4Å; F484-F528 HydrophobicContact CZ-CE1 4.37Å; F484-F528 HydrophobicContact CZ-CZ 4.47Å; D517-F528 WeakPolarHBondContact O-CD2 3.4Å; D517-F528 VanDerWaalsContact O-CE2 3.24Å; D517-F528 WeakPolarHBondContact O-CE2 3.35Å; G518-F528 VanDerWaalsContact C-CD2 3.48Å; G518-F528 WeakPolarHBondContact O-CG 3.48Å; G518-F528 PolarHBondContact O-N 2.81Å; G518-F528 VanDerWaalsContact O-N 3.16Å; W520-F528 HydrophobicContact CB-CE1 4.46Å; W520-F528 AromaticContact CD1-CD1 3.49Å; W520-F528 VanDerWaalsContact CD1-CD1 3.49Å; W520-F528 AromaticContact CD1-CE1 3.54Å; W520-F528 HydrophobicContact CD2-CD1 4.31Å; W520-F528 AromaticContact CD2-CE1 3.61Å; W520-F528 HydrophobicContact CD2-CE1 3.61Å; W520-F528 AromaticContact CE2-CD1 3.99Å; W520-F528 AromaticContact CE2-CE1 3.58Å; W520-F528 HydrophobicContact CE3-CE1 4.25Å; W520-F528 HydrophobicContact CG-CD1 4.08Å; W520-F528 AromaticContact CG-CE1 3.66Å; W520-F528 HydrophobicContact CG-CE1 3.66Å; W520-F528 HydrophobicContact CZ2-CE1 4.22Å; W520-F528 AromaticContact NE1-CD1 3.49Å; W520-F528 AromaticContact NE1-CE1 3.56Å
529	A	89.6	Confident	91.6	Very high	34 Å²	34	39.1 Å²	39.1	28%	0.281	23%	0.233	S	C	.	.	S	Bend	trans	-154.2	149.4	171.2	0	0	0	0	0	109.5	T515 C527	T515-A529 HydrophobicContact CG2-CB 3.92Å; T515-A529 PolarHBondContact N-O 3.42Å; C527-A529 VanDerWaalsContact C-N 3.27Å; C527-A529 PolarHBondContact O-N 3.49Å
530	C	92.8	Very high	91.6	Very high	25 Å²	25	40.1 Å²	40.1	17%	0.169	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-87	134.4	175.9	-57	0	0	0	0	110.9	Y533 C539	C530-Y533 WeakPolarHBondContact CB-O 3.37Å; C530-C539 WeakPolarHBondContact CA-SG 2.98Å; C530-C539 HydrophobicContact CB-CB 3.67Å; C530-C539 WeakPolarHBondContact CB-SG 3.32Å; C530-C539 WeakPolarHBondContact SG-CA 3.46Å; C530-C539 WeakPolarHBondContact SG-CB 3.37Å; C530-C539 CovalentContact SG-SG 2.04Å; C530-C539 PolarHBondContact SG-SG 2.95Å
531	R	92.1	Very high	91.6	Very high	107 Å²	107	42.4 Å²	42.4	40%	0.404	25%	0.252	S	S	.	.	S	Bend	trans	-59.9	-52	175.1	-174.1	-173.6	70.1	-169.7	0.9	111.1	R512 K513 D541 K557	R512-R531 PolarHBondContact O-NH1 3.42Å; K513-R531 VanDerWaalsContact O-CB 3.29Å; K513-R531 WeakPolarHBondContact O-CB 3.45Å; K513-R531 PolarHBondContact O-N 3.47Å; R531-D541 IonicContact NH2-OD1 3.15Å; R531-D541 PolarHBondContact NH2-OD1 3.12Å; R531-K557 PolarHBondContact O-NZ 3.49Å
532	D	92.2	Very high	91.5	Very high	49 Å²	49	49 Å²	49	26%	0.262	28%	0.281	S	S	.	.	S	Bend	trans	-101.2	-80.8	-173.4	-50.9	-56.9	0	0	0	110.9	K557	D532-K557 WeakPolarHBondContact O-CD 3.28Å
533	Y	93.6	Very high	91.5	Very high	76 Å²	76	46.7 Å²	46.7	30%	0.298	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.1	179.9	-54.9	-85.1	0	0	0	113	C530 C539 V540 V554 K557	C530-Y533 WeakPolarHBondContact CB-O 3.37Å; Y533-C539 WeakPolarHBondContact O-CA 3.36Å; Y533-V540 PolarHBondContact N-O 2.94Å; Y533-V540 PolarHBondContact O-N 3.27Å; Y533-V554 HydrophobicContact CD1-CG1 4.16Å; Y533-V554 HydrophobicContact CD1-CG2 4.28Å; Y533-V554 HydrophobicContact CE1-CG1 3.86Å; Y533-V554 HydrophobicContact CE1-CG2 3.93Å; Y533-K557 CarbonylContact C-O 3.57Å; Y533-K557 WeakPolarHBondContact CA-O 3.07Å; Y533-K557 WeakPolarHBondContact CB-O 3.36Å
534	S	92.4	Very high	91.5	Very high	25 Å²	25	46.5 Å²	46.5	18%	0.175	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.3	170.5	-169.6	0	0	0	0	111.4	S538 K557 T558 C559	S534-S538 WeakPolarHBondContact CA-O 3.44Å; S534-K557 PolarHBondContact N-O 3.02Å; S534-T558 CarbonylContact O-C 3.29Å; S534-T558 WeakPolarHBondContact O-CA 3.3Å; S534-C559 PolarHBondContact O-N 2.81Å
535	R	91.6	Very high	91.4	Very high	69 Å²	69	47.7 Å²	47.7	26%	0.26	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.9	170.5	176.9	-176.3	-70.3	140.3	-0.5	108	G537 S538 V540 N544 E552 C559	R535-G537 PolarHBondContact O-N 2.95Å; R535-S538 PolarHBondContact N-O 2.88Å; R535-S538 PolarHBondContact O-N 2.83Å; R535-V540 HydrophobicContact CB-CG1 4.12Å; R535-V540 HydrophobicContact CB-CG2 4.12Å; R535-N544 VanDerWaalsContact NH2-CG 3.29Å; R535-N544 PolarHBondContact NH2-OD1 2.82Å; R535-E552 IonicContact CZ-OE1 3.58Å; R535-E552 IonicContact CZ-OE2 2.68Å; R535-E552 IonicContact NE-OE1 2.74Å; R535-E552 PolarHBondContact NE-OE1 2.7Å; R535-E552 IonicContact NE-OE2 2.67Å; R535-E552 IonicContact NH2-OE1 2.9Å; R535-E552 PolarHBondContact NH2-OE1 3.25Å; R535-E552 IonicContact NH2-OE2 3.14Å; R535-E552 PolarHBondContact NH2-OE2 3.12Å; R535-C559 HydrophobicContact CB-CB 4.25Å
536	S	85.3	Confident	91.2	Very high	117 Å²	117	49.6 Å²	49.6	82%	0.818	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	33.5	178.8	-54.1	0	0	0	0	114.8
537	G	83.5	Confident	90.9	Very high	53 Å²	53	55.3 Å²	55.3	55%	0.546	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-11.2	-178.2	0	0	0	0	0	115.5	R535	R535-G537 PolarHBondContact O-N 2.95Å
538	S	91.8	Very high	90.5	Very high	37 Å²	37	56.3 Å²	56.3	26%	0.259	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.2	176.4	-164.9	0	0	0	0	112.2	S534 R535	S534-S538 WeakPolarHBondContact CA-O 3.44Å; R535-S538 PolarHBondContact N-O 2.88Å; R535-S538 PolarHBondContact O-N 2.83Å
539	C	94.4	Very high	90.2	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.014	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.7	-176.2	-57.1	0	0	0	0	113.1	K513 P524 C527 C530 Y533	K513-C539 HydrophobicContact CB-CB 3.83Å; K513-C539 HydrophobicContact CD-CB 4.44Å; K513-C539 WeakPolarHBondContact CD-O 3.37Å; K513-C539 PolarHBondContact NZ-O 3.2Å; P524-C539 HydrophobicContact CB-CB 4.27Å; P524-C539 WeakPolarHBondContact O-CB 3.45Å; P524-C539 PolarHBondContact O-N 2.82Å; P524-C539 PolarHBondContact O-SG 2.83Å; P524-C539 VanDerWaalsContact O-SG 3.38Å; C527-C539 VanDerWaalsContact SG-SG 3.66Å; C530-C539 WeakPolarHBondContact CA-SG 2.98Å; C530-C539 HydrophobicContact CB-CB 3.67Å; C530-C539 WeakPolarHBondContact CB-SG 3.32Å; C530-C539 WeakPolarHBondContact SG-CA 3.46Å; C530-C539 WeakPolarHBondContact SG-CB 3.37Å; C530-C539 CovalentContact SG-SG 2.04Å; C530-C539 PolarHBondContact SG-SG 2.95Å; Y533-C539 WeakPolarHBondContact O-CA 3.36Å
540	V	93.5	Very high	90.3	Very high	21 Å²	21	62.1 Å²	62.1	13%	0.127	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.7	-177.4	-60.9	0	0	0	0	110.9	Y533 R535 F542	Y533-V540 PolarHBondContact N-O 2.94Å; Y533-V540 PolarHBondContact O-N 3.27Å; R535-V540 HydrophobicContact CB-CG1 4.12Å; R535-V540 HydrophobicContact CB-CG2 4.12Å; V540-F542 VanDerWaalsContact C-N 3.28Å; V540-F542 WeakPolarHBondContact CG2-O 3.46Å; V540-F542 PolarHBondContact O-N 2.97Å
541	D	91.1	Very high	90.2	Very high	52 Å²	52	61.8 Å²	61.8	28%	0.278	34%	0.335	S	S	.	.	S	Bend	trans	-71.5	-24.1	-179.4	-59.8	-72.6	0	0	0	112.2	R512 K513 R531	R512-D541 IonicContact CZ-OD1 3.95Å; R512-D541 IonicContact CZ-OD2 3.46Å; R512-D541 IonicContact NH1-OD1 3.61Å; R512-D541 PolarHBondContact NH1-OD1 3.35Å; R512-D541 IonicContact NH1-OD2 2.71Å; R512-D541 IonicContact NH2-OD1 3.84Å; R512-D541 PolarHBondContact NH2-OD1 3.48Å; R512-D541 IonicContact NH2-OD2 3.61Å; R512-D541 PolarHBondContact NH2-OD2 2.9Å; K513-D541 VanDerWaalsContact CE-OD2 3.23Å; K513-D541 WeakPolarHBondContact CE-OD2 3.42Å; R531-D541 IonicContact NH2-OD1 3.15Å; R531-D541 PolarHBondContact NH2-OD1 3.12Å
542	F	91.9	Very high	90.3	Very high	138 Å²	138	57 Å²	57	61%	0.605	32%	0.317	S	S	*	.			trans	-156	155.5	-179.7	56.1	-92.4	0	0	0	112.3	V540	V540-F542 VanDerWaalsContact C-N 3.28Å; V540-F542 WeakPolarHBondContact CG2-O 3.46Å; V540-F542 PolarHBondContact O-N 2.97Å
543	C	92.3	Very high	90.2	Very high	12 Å²	12	54.9 Å²	54.9	8%	0.081	31%	0.307	C	S	.	.			trans	-97.3	158.4	169.5	-52.9	0	0	0	0	111.6	I545 E552 V554 C559	C543-I545 VanDerWaalsContact C-N 3.26Å; C543-I545 HydrophobicContact CB-CG1 4.15Å; C543-I545 PolarHBondContact O-N 2.91Å; C543-E552 WeakPolarHBondContact CA-OE2 3.47Å; C543-E552 HydrophobicContact CB-CB 4.35Å; C543-E552 WeakPolarHBondContact CB-OE2 3.36Å; C543-V554 HydrophobicContact CB-CG2 4.15Å; C543-C559 VanDerWaalsContact CA-SG 3.57Å; C543-C559 HydrophobicContact CB-CB 3.74Å; C543-C559 WeakPolarHBondContact CB-SG 3.46Å; C543-C559 WeakPolarHBondContact SG-CA 3.44Å; C543-C559 WeakPolarHBondContact SG-CB 3.42Å; C543-C559 CovalentContact SG-SG 2.04Å; C543-C559 PolarHBondContact SG-SG 2.84Å
544	N	92.8	Very high	90.1	Very high	17 Å²	17	54 Å²	54	9%	0.091	31%	0.309	C	S	.	.	S	Bend	trans	-81.1	58.5	-175.2	-62.8	-4.8	0	0	0	112.5	R535 E547 E549 P550 R551 E552	R535-N544 VanDerWaalsContact NH2-CG 3.29Å; R535-N544 PolarHBondContact NH2-OD1 2.82Å; N544-E547 CarbonylContact C-O 3.47Å; N544-E547 VanDerWaalsContact C-O 3.29Å; N544-E547 WeakPolarHBondContact CA-O 3.03Å; N544-E547 WeakPolarHBondContact CB-O 3.39Å; N544-E549 PolarHBondContact ND2-N 2.91Å; N544-E549 PolarHBondContact ND2-O 3.33Å; N544-P550 WeakPolarHBondContact CB-O 3.07Å; N544-P550 PolarHBondContact ND2-O 3.4Å; N544-R551 WeakPolarHBondContact O-CD 3.29Å; N544-E552 HydrophobicContact CB-CB 4.38Å; N544-E552 HydrophobicContact CB-CG 4.16Å; N544-E552 WeakPolarHBondContact CB-OE2 3.41Å; N544-E552 PolarHBondContact N-OE2 3.36Å; N544-E552 PolarHBondContact O-N 3.25Å
545	I	89.8	Confident	89.9	Confident	56 Å²	56	56.9 Å²	56.9	29%	0.287	32%	0.321	S	S	.	.	S	Bend	trans	-77.4	-57.2	-173.1	-52.4	171.9	0	0	0	111.1	C543 R551 E552 V554 A573	C543-I545 VanDerWaalsContact C-N 3.26Å; C543-I545 HydrophobicContact CB-CG1 4.15Å; C543-I545 PolarHBondContact O-N 2.91Å; I545-R551 PolarHBondContact O-NH1 2.86Å; I545-E552 WeakPolarHBondContact CA-O 3.48Å; I545-V554 HydrophobicContact CD1-CG2 3.74Å; I545-V554 HydrophobicContact CG1-CG2 4.35Å; I545-A573 HydrophobicContact CG2-CB 3.89Å
546	L	89.8	Confident	89.7	Confident	90 Å²	90	61.3 Å²	61.3	47%	0.471	35%	0.35	S	S	.	.	S	Bend	trans	-95.1	-26.2	-173.1	-55.7	179.5	0	0	0	113.2	R551 G571	L546-R551 VanDerWaalsContact C-CZ 3.47Å; L546-R551 VanDerWaalsContact O-CZ 3.28Å; L546-R551 PolarHBondContact O-NH1 2.93Å; L546-R551 PolarHBondContact O-NH2 2.79Å; L546-G571 PolarHBondContact O-N 3.01Å; L546-G571 VanDerWaalsContact O-N 3.16Å
547	E	85.6	Confident	89.8	Confident	137 Å²	137	61.5 Å²	61.5	64%	0.64	34%	0.336	S	S	*	.	S	Bend	trans	-149.9	168.8	-177.2	-61.8	-170.6	170.2	0	0	109.5	N544	N544-E547 CarbonylContact C-O 3.47Å; N544-E547 VanDerWaalsContact C-O 3.29Å; N544-E547 WeakPolarHBondContact CA-O 3.03Å; N544-E547 WeakPolarHBondContact CB-O 3.39Å
548	G	84.9	Confident	90.2	Very high	39 Å²	39	61.4 Å²	61.4	40%	0.402	33%	0.325	S	S	.	.	S	Bend	trans	93.8	170.9	-177.4	0	0	0	0	0	114.9	R551	G548-R551 WeakPolarHBondContact O-CD 3.21Å; G548-R551 PolarHBondContact O-NE 2.78Å
549	E	84.3	Confident	90.3	Very high	130 Å²	130	60 Å²	60	61%	0.607	32%	0.315	S	S	*	.	S	Bend	trans	-140.1	141.2	175.9	-65.4	-161.8	-156.2	0	0	111	N544 R568	N544-E549 PolarHBondContact ND2-N 2.91Å; N544-E549 PolarHBondContact ND2-O 3.33Å; E549-R568 IonicContact OE1-CZ 3.94Å; E549-R568 IonicContact OE1-NH1 3.61Å; E549-R568 PolarHBondContact OE1-NH1 2.71Å; E549-R568 IonicContact OE2-CZ 3.69Å; E549-R568 IonicContact OE2-NH1 2.65Å; E549-R568 PolarHBondContact OE2-NH1 3.37Å; E549-R568 IonicContact OE2-NH2 3.31Å; E549-R568 PolarHBondContact OE2-NH2 3.34Å
550	P	89.9	Confident	90.1	Very high	53 Å²	53	63.7 Å²	63.7	34%	0.344	33%	0.333	S	S	.	.	S	Bend	cis	-60.1	169.2	-12.7	29.8	-36.2	0	0	0	111.3	N544 E561	N544-P550 WeakPolarHBondContact CB-O 3.07Å; N544-P550 PolarHBondContact ND2-O 3.4Å; P550-E561 HydrophobicContact CB-CG 4.13Å; P550-E561 HydrophobicContact CG-CG 3.87Å
551	R	91.7	Very high	90.1	Very high	18 Å²	18	68.2 Å²	68.2	7%	0.068	35%	0.352	C	S	.	.			trans	-89.1	141.1	176.5	-75.9	-58.2	-168.6	98.5	11.7	111	N544 I545 L546 G548 E561 C562 M569 N570 T574	N544-R551 WeakPolarHBondContact O-CD 3.29Å; I545-R551 PolarHBondContact O-NH1 2.86Å; L546-R551 VanDerWaalsContact C-CZ 3.47Å; L546-R551 VanDerWaalsContact O-CZ 3.28Å; L546-R551 PolarHBondContact O-NH1 2.93Å; L546-R551 PolarHBondContact O-NH2 2.79Å; G548-R551 WeakPolarHBondContact O-CD 3.21Å; G548-R551 PolarHBondContact O-NE 2.78Å; R551-E561 WeakPolarHBondContact O-CA 3.49Å; R551-C562 HydrophobicContact CB-CB 4.47Å; R551-C562 PolarHBondContact O-N 2.87Å; R551-M569 VanDerWaalsContact CZ-O 3.24Å; R551-M569 PolarHBondContact NH1-O 2.96Å; R551-M569 PolarHBondContact NH2-O 3.21Å; R551-N570 PolarHBondContact NH2-OD1 2.94Å; R551-T574 HydrophobicContact CB-CG2 4.17Å; R551-T574 HydrophobicContact CG-CG2 4.46Å; R551-T574 PolarHBondContact NH1-OG1 2.79Å
552	E	93.1	Very high	90.2	Very high	5 Å²	5	66.6 Å²	66.6	2%	0.023	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147	-166	-63.3	171.5	145.9	0	0	112.5	R535 C543 N544 I545 C559 M560	R535-E552 IonicContact CZ-OE1 3.58Å; R535-E552 IonicContact CZ-OE2 2.68Å; R535-E552 IonicContact NE-OE1 2.74Å; R535-E552 PolarHBondContact NE-OE1 2.7Å; R535-E552 IonicContact NE-OE2 2.67Å; R535-E552 IonicContact NH2-OE1 2.9Å; R535-E552 PolarHBondContact NH2-OE1 3.25Å; R535-E552 IonicContact NH2-OE2 3.14Å; R535-E552 PolarHBondContact NH2-OE2 3.12Å; C543-E552 WeakPolarHBondContact CA-OE2 3.47Å; C543-E552 HydrophobicContact CB-CB 4.35Å; C543-E552 WeakPolarHBondContact CB-OE2 3.36Å; N544-E552 HydrophobicContact CB-CB 4.38Å; N544-E552 HydrophobicContact CB-CG 4.16Å; N544-E552 WeakPolarHBondContact CB-OE2 3.41Å; N544-E552 PolarHBondContact N-OE2 3.36Å; N544-E552 PolarHBondContact O-N 3.25Å; I545-E552 WeakPolarHBondContact CA-O 3.48Å; E552-C559 HydrophobicContact CB-CB 4.41Å; E552-C559 HydrophobicContact CG-CB 4.35Å; E552-C559 WeakPolarHBondContact OE1-CB 3.35Å; E552-C559 WeakPolarHBondContact OE2-CB 3.33Å; E552-M560 CarbonylContact C-O 3.57Å; E552-M560 WeakPolarHBondContact CA-O 3.5Å
553	A	91.6	Very high	90.1	Very high	5 Å²	5	61.7 Å²	61.7	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	154.3	161.7	0	0	0	0	0	110	M560	A553-M560 PolarHBondContact N-O 3.31Å; A553-M560 PolarHBondContact O-N 3.49Å
554	V	91.9	Very high	90.1	Very high	57 Å²	57	66.7 Å²	66.7	35%	0.345	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.1	176.1	176.7	0	0	0	0	109.6	Y533 C543 I545	Y533-V554 HydrophobicContact CD1-CG1 4.16Å; Y533-V554 HydrophobicContact CD1-CG2 4.28Å; Y533-V554 HydrophobicContact CE1-CG1 3.86Å; Y533-V554 HydrophobicContact CE1-CG2 3.93Å; C543-V554 HydrophobicContact CB-CG2 4.15Å; I545-V554 HydrophobicContact CD1-CG2 3.74Å; I545-V554 HydrophobicContact CG1-CG2 4.35Å
555	M	87.4	Confident	90.1	Very high	86 Å²	86	67.2 Å²	67.2	42%	0.424	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.8	168.8	-62.4	-170.7	69.4	0	0	109.4	K557 T558 M560 A577 P578	M555-K557 VanDerWaalsContact C-N 3.33Å; M555-K557 PolarHBondContact O-N 2.84Å; M555-T558 PolarHBondContact N-O 2.98Å; M555-T558 WeakPolarHBondContact O-CA 3.44Å; M555-T558 WeakPolarHBondContact O-CB 3.44Å; M555-T558 PolarHBondContact O-N 3.01Å; M555-M560 HydrophobicContact CB-CG 4.09Å; M555-M560 HydrophobicContact CG-CG 4.35Å; M555-A577 HydrophobicContact SD-CB 4.15Å; M555-P578 WeakPolarHBondContact SD-CD 3.44Å; M555-P578 HydrophobicContact SD-CG 4.18Å
556	N	86.9	Confident	90.3	Very high	163 Å²	163	64.9 Å²	64.9	87%	0.872	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.9	177.7	-58.8	-10.7	0	0	0	114.4	T558	N556-T558 PolarHBondContact O-N 3.48Å
557	K	88.3	Confident	90.4	Very high	120 Å²	120	63.8 Å²	63.8	52%	0.522	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	2	-170.2	-70.4	-171.9	163.2	-161.1	0	116.3	R531 D532 Y533 S534 M555	R531-K557 PolarHBondContact O-NZ 3.49Å; D532-K557 WeakPolarHBondContact O-CD 3.28Å; Y533-K557 CarbonylContact C-O 3.57Å; Y533-K557 WeakPolarHBondContact CA-O 3.07Å; Y533-K557 WeakPolarHBondContact CB-O 3.36Å; S534-K557 PolarHBondContact N-O 3.02Å; M555-K557 VanDerWaalsContact C-N 3.33Å; M555-K557 PolarHBondContact O-N 2.84Å
558	T	91.1	Very high	90.6	Very high	52 Å²	52	64.2 Å²	64.2	32%	0.319	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.8	172.3	-50.8	0	0	0	0	110.5	S534 M555 N556 M560	S534-T558 CarbonylContact O-C 3.29Å; S534-T558 WeakPolarHBondContact O-CA 3.3Å; M555-T558 PolarHBondContact N-O 2.98Å; M555-T558 WeakPolarHBondContact O-CA 3.44Å; M555-T558 WeakPolarHBondContact O-CB 3.44Å; M555-T558 PolarHBondContact O-N 3.01Å; N556-T558 PolarHBondContact O-N 3.48Å; T558-M560 HydrophobicContact CG2-CG 4.34Å; T558-M560 HydrophobicContact CG2-SD 3.71Å; T558-M560 PolarHBondContact O-N 3.01Å
559	C	93.4	Very high	90.8	Very high	8 Å²	8	65 Å²	65	5%	0.054	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115	165.7	-49.4	0	0	0	0	108.6	S534 R535 C543 E552	S534-C559 PolarHBondContact O-N 2.81Å; R535-C559 HydrophobicContact CB-CB 4.25Å; C543-C559 VanDerWaalsContact CA-SG 3.57Å; C543-C559 HydrophobicContact CB-CB 3.74Å; C543-C559 WeakPolarHBondContact CB-SG 3.46Å; C543-C559 WeakPolarHBondContact SG-CA 3.44Å; C543-C559 WeakPolarHBondContact SG-CB 3.42Å; C543-C559 CovalentContact SG-SG 2.04Å; C543-C559 PolarHBondContact SG-SG 2.84Å; E552-C559 HydrophobicContact CB-CB 4.41Å; E552-C559 HydrophobicContact CG-CB 4.35Å; E552-C559 WeakPolarHBondContact OE1-CB 3.35Å; E552-C559 WeakPolarHBondContact OE2-CB 3.33Å
560	M	91.3	Very high	90.8	Very high	78 Å²	78	65 Å²	65	38%	0.384	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.7	-179.2	-62.9	-64.8	-64.2	0	0	109.5	E552 A553 M555 T558 P578	E552-M560 CarbonylContact C-O 3.57Å; E552-M560 WeakPolarHBondContact CA-O 3.5Å; A553-M560 PolarHBondContact N-O 3.31Å; A553-M560 PolarHBondContact O-N 3.49Å; M555-M560 HydrophobicContact CB-CG 4.09Å; M555-M560 HydrophobicContact CG-CG 4.35Å; T558-M560 HydrophobicContact CG2-CG 4.34Å; T558-M560 HydrophobicContact CG2-SD 3.71Å; T558-M560 PolarHBondContact O-N 3.01Å; M560-P578 HydrophobicContact CB-CG 3.71Å; M560-P578 HydrophobicContact CE-CG 4.42Å
561	E	92.8	Very high	90.5	Very high	116 Å²	116	65 Å²	65	54%	0.542	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.8	-178.3	-65.5	-176.6	-152.9	0	0	112.6	P550 R551	P550-E561 HydrophobicContact CB-CG 4.13Å; P550-E561 HydrophobicContact CG-CG 3.87Å; R551-E561 WeakPolarHBondContact O-CA 3.49Å
562	C	92.9	Very high	90.4	Very high	18 Å²	18	67.3 Å²	67.3	12%	0.122	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-69.5	157.3	169.5	-68.4	0	0	0	0	111	R551 C566 T574 C575	R551-C562 HydrophobicContact CB-CB 4.47Å; R551-C562 PolarHBondContact O-N 2.87Å; C562-C566 HydrophobicContact CB-CB 4.47Å; C562-T574 HydrophobicContact CB-CG2 4.39Å; C562-C575 WeakPolarHBondContact CA-SG 3.41Å; C562-C575 HydrophobicContact CB-CB 3.76Å; C562-C575 WeakPolarHBondContact CB-SG 3.23Å; C562-C575 WeakPolarHBondContact SG-CB 3.36Å; C562-C575 PolarHBondContact SG-N 3.09Å; C562-C575 CovalentContact SG-SG 2.04Å; C562-C575 PolarHBondContact SG-SG 3.05Å
563	D	91.8	Very high	90.2	Very high	35 Å²	35	68.9 Å²	68.9	19%	0.187	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-61.5	139.8	174.2	-164.1	-79.8	0	0	0	111.7	E565 C566 P580	D563-E565 PolarHBondContact O-N 3.05Å; D563-E565 VanDerWaalsContact O-N 3.12Å; D563-E565 WeakPolarHBondContact OD1-CB 3.43Å; D563-E565 PolarHBondContact OD1-N 3.37Å; D563-C566 VanDerWaalsContact O-CB 3.29Å; D563-C566 WeakPolarHBondContact O-CB 3.19Å; D563-C566 PolarHBondContact O-N 3.11Å; D563-C566 PolarHBondContact O-SG 2.93Å; D563-P580 VanDerWaalsContact OD2-CD 3.23Å; D563-P580 WeakPolarHBondContact OD2-CD 3.41Å
564	P	91.6	Very high	90.2	Very high	117 Å²	117	68.8 Å²	68.8	76%	0.76	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-26	176.4	-27.8	36.2	0	0	0	114.7	C566	P564-C566 VanDerWaalsContact C-N 3.28Å; P564-C566 PolarHBondContact O-N 3.32Å
565	E	93.3	Very high	90.2	Very high	28 Å²	28	66.2 Å²	66.2	13%	0.131	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.8	176.9	-65.4	-61.8	138.2	0	0	113.8	D563 C586 A587 N588 C595 P597	D563-E565 PolarHBondContact O-N 3.05Å; D563-E565 VanDerWaalsContact O-N 3.12Å; D563-E565 WeakPolarHBondContact OD1-CB 3.43Å; D563-E565 PolarHBondContact OD1-N 3.37Å; E565-C586 CarbonylContact O-C 3.59Å; E565-C586 WeakPolarHBondContact O-CA 3.36Å; E565-A587 WeakPolarHBondContact O-CB 3.34Å; E565-A587 PolarHBondContact O-N 3.05Å; E565-N588 PolarHBondContact OE1-ND2 3.41Å; E565-N588 WeakPolarHBondContact OE2-CB 3.31Å; E565-N588 PolarHBondContact OE2-ND2 2.85Å; E565-C595 HydrophobicContact CB-CB 3.65Å; E565-P597 WeakPolarHBondContact OE1-CB 3.47Å; E565-P597 WeakPolarHBondContact OE2-CA 3.42Å
566	C	93.2	Very high	90.3	Very high	8 Å²	8	72.3 Å²	72.3	5%	0.054	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-76.8	124.3	172.3	-58.6	0	0	0	0	111.4	C562 D563 P564 R568 T574 C583	C562-C566 HydrophobicContact CB-CB 4.47Å; D563-C566 VanDerWaalsContact O-CB 3.29Å; D563-C566 WeakPolarHBondContact O-CB 3.19Å; D563-C566 PolarHBondContact O-N 3.11Å; D563-C566 PolarHBondContact O-SG 2.93Å; P564-C566 VanDerWaalsContact C-N 3.28Å; P564-C566 PolarHBondContact O-N 3.32Å; C566-R568 PolarHBondContact O-N 2.69Å; C566-T574 HydrophobicContact CB-CG2 3.73Å; C566-C583 WeakPolarHBondContact CA-SG 3.48Å; C566-C583 HydrophobicContact CB-CB 3.71Å; C566-C583 WeakPolarHBondContact CB-SG 3.47Å; C566-C583 PolarHBondContact N-SG 3.37Å; C566-C583 WeakPolarHBondContact SG-CA 3.43Å; C566-C583 WeakPolarHBondContact SG-CB 3.4Å; C566-C583 CovalentContact SG-SG 2.04Å; C566-C583 PolarHBondContact SG-SG 3.19Å
567	L	92.3	Very high	90.4	Very high	67 Å²	67	65.5 Å²	65.5	35%	0.351	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-66.1	121.7	173.4	-176.7	67	0	0	0	110	M569 K585 A587	L567-M569 WeakPolarHBondContact O-CG 3.49Å; L567-M569 PolarHBondContact O-N 2.87Å; L567-K585 HydrophobicContact CB-CB 4.35Å; L567-K585 HydrophobicContact CB-CG 4.39Å; L567-K585 WeakPolarHBondContact CB-O 3.41Å; L567-K585 HydrophobicContact CD2-CD 3.82Å; L567-K585 HydrophobicContact CD2-CG 4.02Å; L567-K585 PolarHBondContact N-O 3.45Å; L567-A587 HydrophobicContact CB-CB 4.37Å; L567-A587 HydrophobicContact CD1-CB 4.46Å
568	R	90.1	Very high	90.3	Very high	146 Å²	146	61.9 Å²	61.9	55%	0.551	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-59.3	126.2	177	-62.1	170.8	174.5	-159.5	-13	110.8	E549 C566	E549-R568 IonicContact OE1-CZ 3.94Å; E549-R568 IonicContact OE1-NH1 3.61Å; E549-R568 PolarHBondContact OE1-NH1 2.71Å; E549-R568 IonicContact OE2-CZ 3.69Å; E549-R568 IonicContact OE2-NH1 2.65Å; E549-R568 PolarHBondContact OE2-NH1 3.37Å; E549-R568 IonicContact OE2-NH2 3.31Å; E549-R568 PolarHBondContact OE2-NH2 3.34Å; C566-R568 PolarHBondContact O-N 2.69Å
569	M	87.2	Confident	90.1	Very high	54 Å²	54	60.6 Å²	60.6	27%	0.266	33%	0.329	S	S	.	.			trans	-121.6	124.6	179.9	-60.3	-175.5	68.7	0	0	111.2	R551 L567 T572 T574 T584 K585	R551-M569 VanDerWaalsContact CZ-O 3.24Å; R551-M569 PolarHBondContact NH1-O 2.96Å; R551-M569 PolarHBondContact NH2-O 3.21Å; L567-M569 WeakPolarHBondContact O-CG 3.49Å; L567-M569 PolarHBondContact O-N 2.87Å; M569-T572 WeakPolarHBondContact CB-OG1 3.35Å; M569-T574 PolarHBondContact N-OG1 3.36Å; M569-T574 VanDerWaalsContact N-OG1 3.07Å; M569-T584 HydrophobicContact CE-CG2 4.47Å; M569-T584 HydrophobicContact SD-CG2 3.72Å; M569-K585 HydrophobicContact SD-CB 4.4Å
570	N	85.5	Confident	89.9	Confident	132 Å²	132	62.4 Å²	62.4	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	142.3	175	-68.3	-4.2	0	0	0	110.4	R551 T572	R551-N570 PolarHBondContact NH2-OD1 2.94Å; N570-T572 PolarHBondContact O-N 2.88Å; N570-T572 VanDerWaalsContact O-N 3.11Å; N570-T572 PolarHBondContact O-OG1 3.39Å
571	G	83.2	Confident	89.7	Confident	52 Å²	52	60.3 Å²	60.3	54%	0.536	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	1.6	-179.1	0	0	0	0	0	115.5	L546	L546-G571 PolarHBondContact O-N 3.01Å; L546-G571 VanDerWaalsContact O-N 3.16Å
572	T	89	Confident	89.7	Confident	67 Å²	67	58.2 Å²	58.2	41%	0.411	33%	0.332	S	S	.	.	S	Bend	trans	-143.4	153.8	178	36.2	0	0	0	0	110.5	M569 N570 T574	M569-T572 WeakPolarHBondContact CB-OG1 3.35Å; N570-T572 PolarHBondContact O-N 2.88Å; N570-T572 VanDerWaalsContact O-N 3.11Å; N570-T572 PolarHBondContact O-OG1 3.39Å; T572-T574 PolarHBondContact O-N 3.41Å
573	A	89.6	Confident	89.7	Confident	37 Å²	37	58.4 Å²	58.4	31%	0.306	33%	0.333	S	S	.	.			trans	-70.1	125.7	-177.1	0	0	0	0	0	111.3	I545 T584	I545-A573 HydrophobicContact CG2-CB 3.89Å; A573-T584 WeakPolarHBondContact O-CB 3.37Å; A573-T584 PolarHBondContact O-OG1 3.41Å
574	T	91.6	Very high	89.6	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.018	35%	0.345	C	S	.	.	S	Bend	trans	-70.4	-36.5	-177.3	-69.3	0	0	0	0	112.8	R551 C562 C566 M569 T572 T584	R551-T574 HydrophobicContact CB-CG2 4.17Å; R551-T574 HydrophobicContact CG-CG2 4.46Å; R551-T574 PolarHBondContact NH1-OG1 2.79Å; C562-T574 HydrophobicContact CB-CG2 4.39Å; C566-T574 HydrophobicContact CB-CG2 3.73Å; M569-T574 PolarHBondContact N-OG1 3.36Å; M569-T574 VanDerWaalsContact N-OG1 3.07Å; T572-T574 PolarHBondContact O-N 3.41Å; T574-T584 PolarHBondContact O-N 3.36Å; T574-T584 PolarHBondContact O-OG1 3.11Å
575	C	92.3	Very high	89.6	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.027	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-140.7	165.4	171.3	70.2	0	0	0	0	110.7	C562 A577 N582	C562-C575 WeakPolarHBondContact CA-SG 3.41Å; C562-C575 HydrophobicContact CB-CB 3.76Å; C562-C575 WeakPolarHBondContact CB-SG 3.23Å; C562-C575 WeakPolarHBondContact SG-CB 3.36Å; C562-C575 PolarHBondContact SG-N 3.09Å; C562-C575 CovalentContact SG-SG 2.04Å; C562-C575 PolarHBondContact SG-SG 3.05Å; C575-A577 PolarHBondContact SG-O 3.39Å; C575-N582 CarbonylContact C-O 3.56Å; C575-N582 VanDerWaalsContact CA-O 3.31Å; C575-N582 WeakPolarHBondContact CA-O 3.39Å; C575-N582 WeakPolarHBondContact CB-O 3.11Å
576	R	89.7	Confident	89.5	Confident	214 Å²	214	60.3 Å²	60.3	81%	0.808	34%	0.336	S	S	*	.	S	Bend	trans	-93.7	-28.2	173.9	-61.9	-175.8	-179.3	-163.4	0.1	113.3	N582	R576-N582 PolarHBondContact N-O 3.03Å
577	A	87.8	Confident	89.5	Confident	20 Å²	20	61.3 Å²	61.3	17%	0.165	35%	0.345	C	S	.	.	S	Bend	trans	-161	170.9	179.5	0	0	0	0	0	107.8	M555 C575 N582	M555-A577 HydrophobicContact SD-CB 4.15Å; C575-A577 PolarHBondContact SG-O 3.39Å; A577-N582 HydrophobicContact CB-CB 4.18Å; A577-N582 WeakPolarHBondContact O-CB 3.25Å
578	P	87	Confident	89.4	Confident	44 Å²	44	61.3 Å²	61.3	29%	0.286	35%	0.345	S	S	.	.	S	Bend	trans	-61.9	161.5	174.4	-25.3	36.9	0	0	0	113.9	M555 M560 N582	M555-P578 WeakPolarHBondContact SD-CD 3.44Å; M555-P578 HydrophobicContact SD-CG 4.18Å; M560-P578 HydrophobicContact CB-CG 3.71Å; M560-P578 HydrophobicContact CE-CG 4.42Å; P578-N582 PolarHBondContact O-ND2 3.22Å
579	G	87.4	Confident	89.6	Confident	24 Å²	24	56.9 Å²	56.9	25%	0.247	33%	0.33	C	S	.	.	S	Bend	trans	87.6	157.3	174.7	0	0	0	0	0	115	G581 N582	G579-G581 VanDerWaalsContact C-N 3.27Å; G579-G581 PolarHBondContact O-N 3Å; G579-G581 VanDerWaalsContact O-N 3.14Å; G579-N582 PolarHBondContact O-N 3.47Å; G579-N582 VanDerWaalsContact O-N 3.11Å
580	P	88.3	Confident	89.8	Confident	46 Å²	46	58 Å²	58	30%	0.299	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.5	-159.7	27.6	-33.7	0	0	0	114.5	D563 Y594 C595	D563-P580 VanDerWaalsContact OD2-CD 3.23Å; D563-P580 WeakPolarHBondContact OD2-CD 3.41Å; P580-Y594 HydrophobicContact CG-CD1 4.32Å; P580-C595 HydrophobicContact CB-CB 4.46Å; P580-C595 VanDerWaalsContact CB-O 3.31Å; P580-C595 WeakPolarHBondContact CB-O 3.36Å; P580-C595 PolarHBondContact O-N 3.01Å
581	G	87.9	Confident	90	Very high	34 Å²	34	52 Å²	52	35%	0.351	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-6	174.3	0	0	0	0	0	114.4	G579 L593	G579-G581 VanDerWaalsContact C-N 3.27Å; G579-G581 PolarHBondContact O-N 3Å; G579-G581 VanDerWaalsContact O-N 3.14Å; G581-L593 WeakPolarHBondContact CA-O 3.47Å
582	N	92.4	Very high	90.2	Very high	72 Å²	72	50.8 Å²	50.8	39%	0.385	29%	0.289	S	S	.	.	S	Bend	trans	-108.2	5.2	-175	-71.1	-51.9	0	0	0	113.6	C575 R576 A577 P578 G579	C575-N582 CarbonylContact C-O 3.56Å; C575-N582 VanDerWaalsContact CA-O 3.31Å; C575-N582 WeakPolarHBondContact CA-O 3.39Å; C575-N582 WeakPolarHBondContact CB-O 3.11Å; R576-N582 PolarHBondContact N-O 3.03Å; A577-N582 HydrophobicContact CB-CB 4.18Å; A577-N582 WeakPolarHBondContact O-CB 3.25Å; P578-N582 PolarHBondContact O-ND2 3.22Å; G579-N582 PolarHBondContact O-N 3.47Å; G579-N582 VanDerWaalsContact O-N 3.11Å
583	C	91.9	Very high	90.1	Very high	22 Å²	22	54.1 Å²	54.1	15%	0.149	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-67.7	141.3	174.7	-58.2	0	0	0	0	111.9	C566 K585 C595	C566-C583 WeakPolarHBondContact CA-SG 3.48Å; C566-C583 HydrophobicContact CB-CB 3.71Å; C566-C583 WeakPolarHBondContact CB-SG 3.47Å; C566-C583 PolarHBondContact N-SG 3.37Å; C566-C583 WeakPolarHBondContact SG-CA 3.43Å; C566-C583 WeakPolarHBondContact SG-CB 3.4Å; C566-C583 CovalentContact SG-SG 2.04Å; C566-C583 PolarHBondContact SG-SG 3.19Å; C583-K585 VanDerWaalsContact C-N 3.29Å; C583-C595 VanDerWaalsContact CB-SG 3.59Å
584	T	90.7	Very high	90.1	Very high	71 Å²	71	55.6 Å²	55.6	44%	0.436	30%	0.302	S	S	.	.	S	Bend	trans	-70.9	-28.7	172.3	-57.5	0	0	0	0	111.7	M569 A573 T574	M569-T584 HydrophobicContact CE-CG2 4.47Å; M569-T584 HydrophobicContact SD-CG2 3.72Å; A573-T584 WeakPolarHBondContact O-CB 3.37Å; A573-T584 PolarHBondContact O-OG1 3.41Å; T574-T584 PolarHBondContact O-N 3.36Å; T574-T584 PolarHBondContact O-OG1 3.11Å
585	K	90.6	Very high	90.2	Very high	128 Å²	128	55.8 Å²	55.8	56%	0.557	30%	0.303	S	S	*	.	S	Bend	trans	-158	145.8	172.5	-177.9	165.3	173.3	-178.4	0	109.8	L567 M569 C583	L567-K585 HydrophobicContact CB-CB 4.35Å; L567-K585 HydrophobicContact CB-CG 4.39Å; L567-K585 WeakPolarHBondContact CB-O 3.41Å; L567-K585 HydrophobicContact CD2-CD 3.82Å; L567-K585 HydrophobicContact CD2-CG 4.02Å; L567-K585 PolarHBondContact N-O 3.45Å; M569-K585 HydrophobicContact SD-CB 4.4Å; C583-K585 VanDerWaalsContact C-N 3.29Å
586	C	92.8	Very high	90.1	Very high	22 Å²	22	57 Å²	57	15%	0.149	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-80	144.8	177.4	-53	0	0	0	0	112.6	E565 C595	E565-C586 CarbonylContact O-C 3.59Å; E565-C586 WeakPolarHBondContact O-CA 3.36Å; C586-C595 WeakPolarHBondContact CA-SG 3.3Å; C586-C595 HydrophobicContact CB-CB 3.57Å; C586-C595 WeakPolarHBondContact CB-SG 3.33Å; C586-C595 WeakPolarHBondContact SG-CA 3.46Å; C586-C595 WeakPolarHBondContact SG-CB 3.5Å; C586-C595 CovalentContact SG-SG 2.04Å; C586-C595 PolarHBondContact SG-SG 3.05Å
587	A	92.1	Very high	90.1	Very high	29 Å²	29	50.6 Å²	50.6	24%	0.24	30%	0.297	C	S	.	.	S	Bend	trans	-77	-50.2	175.5	0	0	0	0	0	111.9	E565 L567 R619	E565-A587 WeakPolarHBondContact O-CB 3.34Å; E565-A587 PolarHBondContact O-N 3.05Å; L567-A587 HydrophobicContact CB-CB 4.37Å; L567-A587 HydrophobicContact CD1-CB 4.46Å; A587-R619 PolarHBondContact O-NH1 3.27Å
588	N	91.4	Very high	90.2	Very high	66 Å²	66	57.7 Å²	57.7	35%	0.353	32%	0.319	S	S	.	.	S	Bend	trans	-94.8	-89	-179.5	-65.9	-58.5	0	0	0	111.6	E565 V596 R619	E565-N588 PolarHBondContact OE1-ND2 3.41Å; E565-N588 WeakPolarHBondContact OE2-CB 3.31Å; E565-N588 PolarHBondContact OE2-ND2 2.85Å; N588-V596 WeakPolarHBondContact CB-O 3.39Å; N588-R619 VanDerWaalsContact O-CD 3.28Å; N588-R619 WeakPolarHBondContact O-CD 3.34Å
589	F	92.4	Very high	90.4	Very high	53 Å²	53	55.8 Å²	55.8	23%	0.232	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	165.9	-175.5	-48.7	-77	0	0	0	111.5	C595 V596 P597 V615 R619	F589-C595 WeakPolarHBondContact O-CA 3.07Å; F589-V596 HydrophobicContact CB-CG2 4.18Å; F589-V596 PolarHBondContact N-O 3.06Å; F589-V596 VanDerWaalsContact N-O 3.15Å; F589-V596 PolarHBondContact O-N 3.11Å; F589-P597 WeakPolarHBondContact CD2-O 3.4Å; F589-P597 WeakPolarHBondContact CE2-O 3.48Å; F589-V615 HydrophobicContact CD1-CB 4.38Å; F589-V615 HydrophobicContact CD1-CG1 3.6Å; F589-V615 HydrophobicContact CD1-CG2 3.76Å; F589-V615 HydrophobicContact CE1-CB 4.41Å; F589-V615 HydrophobicContact CE1-CG1 3.71Å; F589-V615 HydrophobicContact CE1-CG2 3.79Å; F589-V615 HydrophobicContact CG-CG2 4.36Å; F589-V615 HydrophobicContact CZ-CG2 4.4Å; F589-R619 WeakPolarHBondContact CA-O 3.48Å; F589-R619 HydrophobicContact CD1-CB 4.04Å
590	Q	91.9	Very high	90.5	Very high	79 Å²	79	55.5 Å²	55.5	37%	0.369	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.4	178.6	-177	176.1	-13.5	0	0	111	G592 Y594 R619 V620 C621	Q590-G592 WeakPolarHBondContact CG-O 3.42Å; Q590-G592 PolarHBondContact NE2-O 3.35Å; Q590-Y594 CarbonylContact C-O 3.47Å; Q590-Y594 WeakPolarHBondContact CA-O 3.28Å; Q590-R619 PolarHBondContact N-O 3.36Å; Q590-V620 CarbonylContact O-C 3.48Å; Q590-V620 WeakPolarHBondContact O-CA 3.45Å; Q590-C621 PolarHBondContact O-N 3.27Å
591	D	90.9	Very high	90.4	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.032	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	96.5	174.5	-165.8	31.8	0	0	0	109.6	Y275 H280 L593 Y594 V596 P600 K613 C621	Y275-D591 VanDerWaalsContact OH-CG 3.24Å; Y275-D591 PolarHBondContact OH-OD1 2.83Å; Y275-D591 PolarHBondContact OH-OD2 2.87Å; H280-D591 IonicContact CD2-OD1 3.2Å; H280-D591 PolarHBondContact CD2-OD1 2.89Å; D591-L593 PolarHBondContact O-N 3.44Å; D591-L593 VanDerWaalsContact O-N 3.09Å; D591-Y594 PolarHBondContact N-O 2.93Å; D591-Y594 PolarHBondContact O-N 2.68Å; D591-V596 HydrophobicContact CB-CG1 4.12Å; D591-V596 HydrophobicContact CB-CG2 3.94Å; D591-P600 WeakPolarHBondContact OD2-CG 3.41Å; D591-K613 WeakPolarHBondContact OD1-CD 3.43Å; D591-K613 WeakPolarHBondContact OD1-CE 3.35Å; D591-K613 IonicContact OD1-NZ 3.54Å; D591-K613 PolarHBondContact OD1-NZ 3.4Å; D591-C621 HydrophobicContact CB-CB 4.05Å; D591-C621 WeakPolarHBondContact OD1-CB 3.49Å
592	G	86.6	Confident	90.2	Very high	25 Å²	25	58 Å²	58	26%	0.258	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-107.7	-173	0	0	0	0	0	111.6	H280 Q590	H280-G592 WeakPolarHBondContact CD2-CA 3.44Å; H280-G592 PolarHBondContact CD2-N 3.27Å; Q590-G592 WeakPolarHBondContact CG-O 3.42Å; Q590-G592 PolarHBondContact NE2-O 3.35Å
593	L	86.3	Confident	89.9	Confident	137 Å²	137	56.5 Å²	56.5	72%	0.717	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-5.3	176.1	-65	177.8	0	0	0	113.6	G581 D591	G581-L593 WeakPolarHBondContact CA-O 3.47Å; D591-L593 PolarHBondContact O-N 3.44Å; D591-L593 VanDerWaalsContact O-N 3.09Å
594	Y	90.6	Very high	89.3	Confident	69 Å²	69	58.6 Å²	58.6	27%	0.271	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.5	-170.1	-57.4	-80.5	0	0	0	112.1	Q281 P580 Q590 D591	Q281-Y594 VanDerWaalsContact CD-OH 3.25Å; Q281-Y594 HydrophobicContact CG-CD2 4.43Å; Q281-Y594 HydrophobicContact CG-CE2 3.65Å; Q281-Y594 PolarHBondContact NE2-OH 2.94Å; Q281-Y594 PolarHBondContact OE1-OH 3.21Å; P580-Y594 HydrophobicContact CG-CD1 4.32Å; Q590-Y594 CarbonylContact C-O 3.47Å; Q590-Y594 WeakPolarHBondContact CA-O 3.28Å; D591-Y594 PolarHBondContact N-O 2.93Å; D591-Y594 PolarHBondContact O-N 2.68Å
595	C	92.5	Very high	88.8	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136.3	169.7	-57.9	0	0	0	0	110.9	E565 P580 C583 C586 F589	E565-C595 HydrophobicContact CB-CB 3.65Å; P580-C595 HydrophobicContact CB-CB 4.46Å; P580-C595 VanDerWaalsContact CB-O 3.31Å; P580-C595 WeakPolarHBondContact CB-O 3.36Å; P580-C595 PolarHBondContact O-N 3.01Å; C583-C595 VanDerWaalsContact CB-SG 3.59Å; C586-C595 WeakPolarHBondContact CA-SG 3.3Å; C586-C595 HydrophobicContact CB-CB 3.57Å; C586-C595 WeakPolarHBondContact CB-SG 3.33Å; C586-C595 WeakPolarHBondContact SG-CA 3.46Å; C586-C595 WeakPolarHBondContact SG-CB 3.5Å; C586-C595 CovalentContact SG-SG 2.04Å; C586-C595 PolarHBondContact SG-SG 3.05Å; F589-C595 WeakPolarHBondContact O-CA 3.07Å
596	V	90.1	Very high	88.1	Confident	29 Å²	29	55.5 Å²	55.5	18%	0.176	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.1	-176.2	-63.7	0	0	0	0	112.6	N588 F589 D591 R598	N588-V596 WeakPolarHBondContact CB-O 3.39Å; F589-V596 HydrophobicContact CB-CG2 4.18Å; F589-V596 PolarHBondContact N-O 3.06Å; F589-V596 VanDerWaalsContact N-O 3.15Å; F589-V596 PolarHBondContact O-N 3.11Å; D591-V596 HydrophobicContact CB-CG1 4.12Å; D591-V596 HydrophobicContact CB-CG2 3.94Å; V596-R598 WeakPolarHBondContact CG2-O 3.48Å; V596-R598 PolarHBondContact O-N 3.35Å
597	P	90.8	Very high	86.8	Confident	80 Å²	80	57 Å²	57	52%	0.519	32%	0.316	S	S	.	.	S	Bend	trans	-68.4	-22.4	177.6	25.1	-33.4	0	0	0	113.1	E565 F589	E565-P597 WeakPolarHBondContact OE1-CB 3.47Å; E565-P597 WeakPolarHBondContact OE2-CA 3.42Å; F589-P597 WeakPolarHBondContact CD2-O 3.4Å; F589-P597 WeakPolarHBondContact CE2-O 3.48Å
598	R	90.3	Very high	85.6	Confident	169 Å²	169	61.6 Å²	61.6	64%	0.638	34%	0.337	S	S	*	.	S	Bend	trans	-157.9	149.9	174.6	57.7	176.6	176.8	148.4	-1	109.9	V596	V596-R598 WeakPolarHBondContact CG2-O 3.48Å; V596-R598 PolarHBondContact O-N 3.35Å
599	C	90.3	Very high	85	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.034	34%	0.344	C	S	.	.			trans	-65.1	153.3	173	-61.2	0	0	0	0	112.2	Q601 K613 V615 C621	C599-Q601 PolarHBondContact O-N 2.56Å; C599-K613 HydrophobicContact CB-CB 3.98Å; C599-V615 VanDerWaalsContact SG-CG2 3.57Å; C599-C621 WeakPolarHBondContact CA-SG 3.43Å; C599-C621 HydrophobicContact CB-CB 3.72Å; C599-C621 WeakPolarHBondContact CB-SG 3.36Å; C599-C621 WeakPolarHBondContact SG-CA 3.47Å; C599-C621 WeakPolarHBondContact SG-CB 3.35Å; C599-C621 CovalentContact SG-SG 2.03Å; C599-C621 PolarHBondContact SG-SG 3.31Å
600	P	89.4	Confident	84.6	Confident	18 Å²	18	64.3 Å²	64.3	12%	0.117	36%	0.356	C	S	.	.			trans	-53.3	126.5	174.9	-27.8	33.9	0	0	0	113.5	Y275 D591 V603 K613	Y275-P600 HydrophobicContact CE2-CG 3.83Å; D591-P600 WeakPolarHBondContact OD2-CG 3.41Å; P600-V603 HydrophobicContact CB-CG1 4.4Å; P600-V603 HydrophobicContact CB-CG2 3.92Å; P600-K613 HydrophobicContact CB-CG 4.47Å; P600-K613 HydrophobicContact CG-CD 4.23Å; P600-K613 PolarHBondContact O-N 2.88Å
601	Q	87.7	Confident	84.4	Confident	107 Å²	107	61.1 Å²	61.1	50%	0.5	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	109.8	-178.8	-76.8	177.2	-11.7	0	0	109.4	C599 W612	C599-Q601 PolarHBondContact O-N 2.56Å; Q601-W612 HydrophobicContact CB-CE3 3.87Å; Q601-W612 HydrophobicContact CB-CZ3 3.78Å; Q601-W612 HydrophobicContact CG-CE3 4.17Å; Q601-W612 HydrophobicContact CG-CZ3 4.32Å
602	G	83.4	Confident	84.3	Confident	25 Å²	25	63.7 Å²	63.7	26%	0.258	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71	27.7	176.9	0	0	0	0	0	114.2	V611	G602-V611 PolarHBondContact N-O 2.98Å
603	V	84.7	Confident	84.5	Confident	41 Å²	41	62.7 Å²	62.7	25%	0.248	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	144	179.3	-58.6	0	0	0	0	110.8	Y275 P600 G605 V611	Y275-V603 HydrophobicContact CD1-CG2 4.24Å; Y275-V603 HydrophobicContact CD2-CG2 4.44Å; Y275-V603 HydrophobicContact CG-CG2 3.87Å; P600-V603 HydrophobicContact CB-CG1 4.4Å; P600-V603 HydrophobicContact CB-CG2 3.92Å; V603-G605 PolarHBondContact O-N 2.94Å; V603-V611 HydrophobicContact CG2-CB 3.83Å; V603-V611 PolarHBondContact N-O 3.33Å; V603-V611 PolarHBondContact O-N 2.88Å
604	P	80.9	Confident	84.7	Confident	66 Å²	66	58 Å²	58	43%	0.429	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	127.4	180	-23.2	34.2	0	0	0	112.1	R274 Y275	R274-P604 CarbonylContact C-O 3.58Å; R274-P604 WeakPolarHBondContact CA-O 3.41Å; Y275-P604 PolarHBondContact N-O 3.16Å
605	G	79.1	Confident	84.8	Confident	7 Å²	7	57.6 Å²	57.6	7%	0.072	32%	0.318	C	S	.	.			trans	-107.5	-137	177.6	0	0	0	0	0	113	R274 V603 T609	R274-G605 WeakPolarHBondContact CB-O 3.4Å; V603-G605 PolarHBondContact O-N 2.94Å; G605-T609 WeakPolarHBondContact CA-O 3.49Å; G605-T609 PolarHBondContact N-O 2.73Å
606	E	76.9	Confident	84.6	Confident	127 Å²	127	59.1 Å²	59.1	59%	0.593	33%	0.326	S	S	*	.	S	Bend	trans	-94.7	129.1	178.1	-174.2	148.9	-106	0	0	110.7	R274 T609	R274-E606 IonicContact CZ-OE1 3.68Å; R274-E606 IonicContact NH1-OE1 3.89Å; R274-E606 PolarHBondContact NH1-OE1 3.09Å; R274-E606 IonicContact NH2-OE1 2.7Å; R274-E606 PolarHBondContact NH2-OE1 2.93Å; E606-T609 PolarHBondContact O-N 2.89Å; E606-T609 PolarHBondContact O-OG1 2.88Å
607	G	65	Low	84.4	Confident	53 Å²	53	67.4 Å²	67.4	55%	0.546	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	57.7	174.5	0	0	0	0	0	114.9	T609	G607-T609 PolarHBondContact O-N 3.02Å
608	D	66.8	Low	84.2	Confident	125 Å²	125	72.1 Å²	72.1	67%	0.668	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	7.9	-176.1	-79.6	-5.5	0	0	0	115.7
609	T	78.2	Confident	84.1	Confident	82 Å²	82	71 Å²	71	50%	0.503	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-76	142.8	173.3	66.4	0	0	0	0	111.7	G605 E606 G607	G605-T609 WeakPolarHBondContact CA-O 3.49Å; G605-T609 PolarHBondContact N-O 2.73Å; E606-T609 PolarHBondContact O-N 2.89Å; E606-T609 PolarHBondContact O-OG1 2.88Å; G607-T609 PolarHBondContact O-N 3.02Å
610	L	84.4	Confident	84.2	Confident	94 Å²	94	72.5 Å²	72.5	49%	0.492	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.5	173.7	-62	-176.4	0	0	0	110.6	W612	L610-W612 VanDerWaalsContact O-CD1 3.3Å
611	V	87.3	Confident	84.3	Confident	12 Å²	12	71.7 Å²	71.7	7%	0.073	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.3	175.2	-175.1	0	0	0	0	109.5	Y275 P277 G602 V603 L623	Y275-V611 HydrophobicContact CD1-CB 4.26Å; Y275-V611 HydrophobicContact CD1-CG1 3.93Å; Y275-V611 HydrophobicContact CD1-CG2 4.23Å; Y275-V611 HydrophobicContact CE1-CG1 4.03Å; P277-V611 HydrophobicContact CG-CG1 4.45Å; P277-V611 HydrophobicContact CG-CG2 4.15Å; G602-V611 PolarHBondContact N-O 2.98Å; V603-V611 HydrophobicContact CG2-CB 3.83Å; V603-V611 PolarHBondContact N-O 3.33Å; V603-V611 PolarHBondContact O-N 2.88Å; V611-L623 HydrophobicContact CG1-CD2 3.72Å
612	W	89.6	Confident	84.5	Confident	60 Å²	60	70.1 Å²	70.1	23%	0.227	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.9	174.3	-62.1	92.6	0	0	0	109.2	Q601 L610 C624 T629 G631	Q601-W612 HydrophobicContact CB-CE3 3.87Å; Q601-W612 HydrophobicContact CB-CZ3 3.78Å; Q601-W612 HydrophobicContact CG-CE3 4.17Å; Q601-W612 HydrophobicContact CG-CZ3 4.32Å; L610-W612 VanDerWaalsContact O-CD1 3.3Å; W612-C624 HydrophobicContact CB-CB 3.95Å; W612-C624 VanDerWaalsContact CB-SG 3.54Å; W612-C624 WeakPolarHBondContact O-CB 3.24Å; W612-C624 PolarHBondContact O-N 3.28Å; W612-C624 PolarHBondContact O-SG 3.47Å; W612-T629 PolarHBondContact NE1-O 2.87Å; W612-T629 VanDerWaalsContact NE1-O 3.13Å; W612-G631 VanDerWaalsContact CD2-CA 3.44Å
613	K	90.6	Very high	84.8	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.017	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.2	172.3	-68	-162.6	173	-167	0	111.3	Y275 H280 D591 C599 P600 C621 Q622 L623	Y275-K613 VanDerWaalsContact OH-CE 3.23Å; Y275-K613 WeakPolarHBondContact OH-CE 3.39Å; Y275-K613 PolarHBondContact OH-NZ 3.18Å; Y275-K613 VanDerWaalsContact OH-NZ 3.07Å; H280-K613 PolarHBondContact CD2-NZ 2.97Å; H280-K613 PolarHBondContact NE2-NZ 3.26Å; D591-K613 WeakPolarHBondContact OD1-CD 3.43Å; D591-K613 WeakPolarHBondContact OD1-CE 3.35Å; D591-K613 IonicContact OD1-NZ 3.54Å; D591-K613 PolarHBondContact OD1-NZ 3.4Å; C599-K613 HydrophobicContact CB-CB 3.98Å; P600-K613 HydrophobicContact CB-CG 4.47Å; P600-K613 HydrophobicContact CG-CD 4.23Å; P600-K613 PolarHBondContact O-N 2.88Å; K613-C621 HydrophobicContact CB-CB 4.27Å; K613-C621 HydrophobicContact CD-CB 3.83Å; K613-C621 PolarHBondContact NZ-O 3.28Å; K613-Q622 CarbonylContact C-O 3.56Å; K613-Q622 WeakPolarHBondContact CA-O 3.35Å; K613-Q622 VanDerWaalsContact CB-O 3.28Å; K613-Q622 WeakPolarHBondContact CB-O 3.38Å; K613-L623 HydrophobicContact CD-CD2 4.42Å; K613-L623 HydrophobicContact CG-CD2 3.92Å; K613-L623 HydrophobicContact CG-CG 4.43Å
614	Y	90.1	Very high	85	Confident	38 Å²	38	72.1 Å²	72.1	15%	0.149	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	166.3	171.3	73.3	-83.3	0	0	0	110.6	C621 Q622 C632 P635	Y614-C621 CarbonylContact O-C 3.58Å; Y614-C621 WeakPolarHBondContact O-CA 3.36Å; Y614-Q622 HydrophobicContact CD1-CB 4.12Å; Y614-Q622 WeakPolarHBondContact CD1-O 3.47Å; Y614-Q622 HydrophobicContact CE1-CB 3.53Å; Y614-Q622 HydrophobicContact CE2-CB 4.1Å; Y614-Q622 HydrophobicContact CE2-CG 4.49Å; Y614-Q622 VanDerWaalsContact CZ-CB 3.5Å; Y614-Q622 PolarHBondContact N-O 3.24Å; Y614-Q622 PolarHBondContact O-N 3.1Å; Y614-C632 VanDerWaalsContact CD1-SG 3.52Å; Y614-P635 WeakPolarHBondContact OH-CB 3.41Å
615	V	91.9	Very high	85.3	Confident	62 Å²	62	72.5 Å²	72.5	38%	0.376	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.1	179.1	-178.3	0	0	0	0	109.3	F589 C599	F589-V615 HydrophobicContact CD1-CB 4.38Å; F589-V615 HydrophobicContact CD1-CG1 3.6Å; F589-V615 HydrophobicContact CD1-CG2 3.76Å; F589-V615 HydrophobicContact CE1-CB 4.41Å; F589-V615 HydrophobicContact CE1-CG1 3.71Å; F589-V615 HydrophobicContact CE1-CG2 3.79Å; F589-V615 HydrophobicContact CG-CG2 4.36Å; F589-V615 HydrophobicContact CZ-CG2 4.4Å; C599-V615 VanDerWaalsContact SG-CG2 3.57Å
616	D	88.8	Confident	85.5	Confident	38 Å²	38	81.8 Å²	81.8	20%	0.203	41%	0.405	C	S	.	.			trans	-86.8	174.5	171.3	73.7	20.9	0	0	0	113.6	K618 R619 V620 Q622	D616-K618 PolarHBondContact O-N 3.06Å; D616-K618 WeakPolarHBondContact OD1-CA 3.07Å; D616-K618 WeakPolarHBondContact OD1-CB 3.48Å; D616-K618 PolarHBondContact OD1-N 3.41Å; D616-R619 WeakPolarHBondContact O-CA 3.22Å; D616-R619 PolarHBondContact O-N 3.02Å; D616-R619 PolarHBondContact OD1-N 3.41Å; D616-V620 PolarHBondContact N-O 2.95Å; D616-V620 PolarHBondContact OD1-N 3.07Å; D616-Q622 HydrophobicContact CB-CG 3.92Å; D616-Q622 WeakPolarHBondContact OD2-CG 3.47Å; D616-Q622 PolarHBondContact OD2-NE2 3.11Å
617	E	86.4	Confident	85.8	Confident	203 Å²	203	81.4 Å²	81.4	95%	0.949	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.4	-179.9	-60.6	-177.5	160.7	0	0	114
618	K	86.3	Confident	86.7	Confident	179 Å²	179	79.1 Å²	79.1	78%	0.778	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5.4	178.5	-61.1	176.7	-177	173.2	0	112.4	D616 V620	D616-K618 PolarHBondContact O-N 3.06Å; D616-K618 WeakPolarHBondContact OD1-CA 3.07Å; D616-K618 WeakPolarHBondContact OD1-CB 3.48Å; D616-K618 PolarHBondContact OD1-N 3.41Å; K618-V620 VanDerWaalsContact C-N 3.3Å; K618-V620 HydrophobicContact CB-CG2 4.26Å
619	R	88.1	Confident	87.3	Confident	145 Å²	145	78.2 Å²	78.2	55%	0.547	38%	0.382	S	S	.	.	S	Bend	trans	65.7	23.9	-173.9	-55	-170.1	-179.1	-171	-1.7	114.8	A587 N588 F589 Q590 D616	A587-R619 PolarHBondContact O-NH1 3.27Å; N588-R619 VanDerWaalsContact O-CD 3.28Å; N588-R619 WeakPolarHBondContact O-CD 3.34Å; F589-R619 WeakPolarHBondContact CA-O 3.48Å; F589-R619 HydrophobicContact CD1-CB 4.04Å; Q590-R619 PolarHBondContact N-O 3.36Å; D616-R619 WeakPolarHBondContact O-CA 3.22Å; D616-R619 PolarHBondContact O-N 3.02Å; D616-R619 PolarHBondContact OD1-N 3.41Å
620	V	91.8	Very high	87.5	Confident	36 Å²	36	82.1 Å²	82.1	22%	0.218	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-92.7	142.6	175.6	-174.1	0	0	0	0	110	Q590 D616 K618 Q622	Q590-V620 CarbonylContact O-C 3.48Å; Q590-V620 WeakPolarHBondContact O-CA 3.45Å; D616-V620 PolarHBondContact N-O 2.95Å; D616-V620 PolarHBondContact OD1-N 3.07Å; K618-V620 VanDerWaalsContact C-N 3.3Å; K618-V620 HydrophobicContact CB-CG2 4.26Å; V620-Q622 PolarHBondContact O-N 3.04Å
621	C	92.7	Very high	87.5	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.014	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108.1	-179	-62.3	0	0	0	0	111.7	Q590 D591 C599 K613 Y614	Q590-C621 PolarHBondContact O-N 3.27Å; D591-C621 HydrophobicContact CB-CB 4.05Å; D591-C621 WeakPolarHBondContact OD1-CB 3.49Å; C599-C621 WeakPolarHBondContact CA-SG 3.43Å; C599-C621 HydrophobicContact CB-CB 3.72Å; C599-C621 WeakPolarHBondContact CB-SG 3.36Å; C599-C621 WeakPolarHBondContact SG-CA 3.47Å; C599-C621 WeakPolarHBondContact SG-CB 3.35Å; C599-C621 CovalentContact SG-SG 2.03Å; C599-C621 PolarHBondContact SG-SG 3.31Å; K613-C621 HydrophobicContact CB-CB 4.27Å; K613-C621 HydrophobicContact CD-CB 3.83Å; K613-C621 PolarHBondContact NZ-O 3.28Å; Y614-C621 CarbonylContact O-C 3.58Å; Y614-C621 WeakPolarHBondContact O-CA 3.36Å
622	Q	91.1	Very high	87.6	Confident	74 Å²	74	78 Å²	78	35%	0.346	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147.1	-178.3	-57.9	-61.2	-11.6	0	0	111.5	K613 Y614 D616 V620	K613-Q622 CarbonylContact C-O 3.56Å; K613-Q622 WeakPolarHBondContact CA-O 3.35Å; K613-Q622 VanDerWaalsContact CB-O 3.28Å; K613-Q622 WeakPolarHBondContact CB-O 3.38Å; Y614-Q622 HydrophobicContact CD1-CB 4.12Å; Y614-Q622 WeakPolarHBondContact CD1-O 3.47Å; Y614-Q622 HydrophobicContact CE1-CB 3.53Å; Y614-Q622 HydrophobicContact CE2-CB 4.1Å; Y614-Q622 HydrophobicContact CE2-CG 4.49Å; Y614-Q622 VanDerWaalsContact CZ-CB 3.5Å; Y614-Q622 PolarHBondContact N-O 3.24Å; Y614-Q622 PolarHBondContact O-N 3.1Å; D616-Q622 HydrophobicContact CB-CG 3.92Å; D616-Q622 WeakPolarHBondContact OD2-CG 3.47Å; D616-Q622 PolarHBondContact OD2-NE2 3.11Å; V620-Q622 PolarHBondContact O-N 3.04Å
623	L	89.4	Confident	87.4	Confident	87 Å²	87	80.1 Å²	80.1	46%	0.455	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136	-179	-75.3	164.1	0	0	0	112.8	P277 V611 K613	P277-L623 HydrophobicContact CB-CD1 3.9Å; P277-L623 HydrophobicContact CB-CD2 4.08Å; V611-L623 HydrophobicContact CG1-CD2 3.72Å; K613-L623 HydrophobicContact CD-CD2 4.42Å; K613-L623 HydrophobicContact CG-CD2 3.92Å; K613-L623 HydrophobicContact CG-CG 4.43Å
624	C	89.1	Confident	87.1	Confident	20 Å²	20	80.5 Å²	80.5	14%	0.135	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-65.3	155.4	168.2	-68.7	0	0	0	0	111.9	W612 C628 C632	W612-C624 HydrophobicContact CB-CB 3.95Å; W612-C624 VanDerWaalsContact CB-SG 3.54Å; W612-C624 WeakPolarHBondContact O-CB 3.24Å; W612-C624 PolarHBondContact O-N 3.28Å; W612-C624 PolarHBondContact O-SG 3.47Å; C624-C628 HydrophobicContact CB-CB 4.16Å; C624-C632 WeakPolarHBondContact CA-SG 3.3Å; C624-C632 HydrophobicContact CB-CB 3.77Å; C624-C632 WeakPolarHBondContact CB-SG 3.48Å; C624-C632 WeakPolarHBondContact SG-CB 3.38Å; C624-C632 PolarHBondContact SG-N 3.25Å; C624-C632 VanDerWaalsContact SG-N 3.42Å; C624-C632 CovalentContact SG-SG 2.03Å; C624-C632 PolarHBondContact SG-SG 3.06Å
625	H	88.1	Confident	86.9	Confident	75 Å²	75	82.9 Å²	82.9	35%	0.347	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-61.9	143.5	171.2	-176.9	-103.6	0	0	0	111.1	N627 C628 G636	H625-N627 PolarHBondContact O-N 2.99Å; H625-C628 WeakPolarHBondContact O-CB 3.42Å; H625-C628 PolarHBondContact O-N 3.33Å; H625-C628 PolarHBondContact O-SG 2.92Å; H625-C628 VanDerWaalsContact O-SG 3.41Å; H625-G636 VanDerWaalsContact CB-C 3.49Å; H625-G636 WeakPolarHBondContact CB-O 3.47Å
626	K	82.6	Confident	86.5	Confident	201 Å²	201	81.3 Å²	81.3	87%	0.874	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.9	-170	-68	-175.4	175.7	-175.9	0	114.5
627	N	83.5	Confident	85.9	Confident	120 Å²	120	83.3 Å²	83.3	64%	0.642	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.4	179.8	-59.2	10.9	0	0	0	113.4	H625 T629	H625-N627 PolarHBondContact O-N 2.99Å; N627-T629 PolarHBondContact O-N 3.39Å
628	C	83.5	Confident	85.3	Confident	5 Å²	5	82.3 Å²	82.3	3%	0.034	42%	0.423	C	S	.	.			trans	-78.3	61.6	-178.6	-53.8	0	0	0	0	112.2	C624 H625 K630 G631 C632 C640	C624-C628 HydrophobicContact CB-CB 4.16Å; H625-C628 WeakPolarHBondContact O-CB 3.42Å; H625-C628 PolarHBondContact O-N 3.33Å; H625-C628 PolarHBondContact O-SG 2.92Å; H625-C628 VanDerWaalsContact O-SG 3.41Å; C628-K630 PolarHBondContact O-N 3.04Å; C628-G631 PolarHBondContact O-N 3.36Å; C628-C632 HydrophobicContact CB-CB 4.11Å; C628-C640 WeakPolarHBondContact CA-SG 3.3Å; C628-C640 HydrophobicContact CB-CB 3.82Å; C628-C640 WeakPolarHBondContact CB-SG 3.32Å; C628-C640 WeakPolarHBondContact SG-CA 3.26Å; C628-C640 WeakPolarHBondContact SG-CB 3.3Å; C628-C640 CovalentContact SG-SG 2.03Å; C628-C640 PolarHBondContact SG-SG 2.98Å
629	T	80.5	Confident	84.7	Confident	106 Å²	106	74.2 Å²	74.2	65%	0.65	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21	-175.9	55.6	0	0	0	0	114.4	W612 N627	W612-T629 PolarHBondContact NE1-O 2.87Å; W612-T629 VanDerWaalsContact NE1-O 3.13Å; N627-T629 PolarHBondContact O-N 3.39Å
630	K	82.4	Confident	84.4	Confident	164 Å²	164	68.4 Å²	68.4	71%	0.713	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	15.3	176.1	-59.8	-179.8	-177.8	175.2	0	113.5	C628	C628-K630 PolarHBondContact O-N 3.04Å
631	G	84.2	Confident	83	Confident	4 Å²	4	73.3 Å²	73.3	4%	0.041	39%	0.392	C	S	.	.			trans	85.5	172.8	-176.6	0	0	0	0	0	114.7	W612 C628 Q641	W612-G631 VanDerWaalsContact CD2-CA 3.44Å; C628-G631 PolarHBondContact O-N 3.36Å; G631-Q641 PolarHBondContact O-N 2.81Å
632	C	88.3	Confident	81.5	Confident	16 Å²	16	76.1 Å²	76.1	11%	0.108	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-140.9	165.3	-177	78.3	0	0	0	0	111.4	Y614 C624 C628 G634 G639	Y614-C632 VanDerWaalsContact CD1-SG 3.52Å; C624-C632 WeakPolarHBondContact CA-SG 3.3Å; C624-C632 HydrophobicContact CB-CB 3.77Å; C624-C632 WeakPolarHBondContact CB-SG 3.48Å; C624-C632 WeakPolarHBondContact SG-CB 3.38Å; C624-C632 PolarHBondContact SG-N 3.25Å; C624-C632 VanDerWaalsContact SG-N 3.42Å; C624-C632 CovalentContact SG-SG 2.03Å; C624-C632 PolarHBondContact SG-SG 3.06Å; C628-C632 HydrophobicContact CB-CB 4.11Å; C632-G634 PolarHBondContact SG-O 2.72Å; C632-G639 CarbonylContact C-O 3.58Å; C632-G639 WeakPolarHBondContact CA-O 3.32Å; C632-G639 VanDerWaalsContact CB-O 3.23Å; C632-G639 WeakPolarHBondContact CB-O 3.34Å
633	V	85.7	Confident	79.1	Confident	104 Å²	104	80.3 Å²	80.3	63%	0.63	44%	0.441	S	S	*	.	S	Bend	trans	-118.3	1.2	175.2	-61.3	0	0	0	0	113	G639 Q641	V633-G639 PolarHBondContact N-O 3.48Å; V633-Q641 HydrophobicContact CG1-CG 4.1Å
634	G	84.2	Confident	76.4	Confident	11 Å²	11	87.8 Å²	87.8	11%	0.113	46%	0.463	C	S	.	.	S	Bend	trans	-170.6	179.2	-176.2	0	0	0	0	0	112.2	C632	C632-G634 PolarHBondContact SG-O 2.72Å
635	P	86.1	Confident	74	Confident	89 Å²	89	92.4 Å²	92.4	58%	0.578	49%	0.493	S	S	*	.	S	Bend	trans	-67.3	157.8	-179.8	27.1	-33.8	0	0	0	113.2	Y614 G639	Y614-P635 WeakPolarHBondContact OH-CB 3.41Å; P635-G639 PolarHBondContact O-N 2.76Å
636	G	83.1	Confident	71.7	Confident	29 Å²	29	94.6 Å²	94.6	30%	0.299	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	-176	171.6	0	0	0	0	0	114.8	H625 E638 G639	H625-G636 VanDerWaalsContact CB-C 3.49Å; H625-G636 WeakPolarHBondContact CB-O 3.47Å; G636-E638 VanDerWaalsContact C-N 3.35Å; G636-G639 PolarHBondContact O-N 2.99Å
637	P	77	Confident	69.6	Low	80 Å²	80	88.7 Å²	88.7	52%	0.519	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.6	177.8	28.1	-34	0	0	0	112.6	G639 C640	P637-G639 PolarHBondContact O-N 2.8Å; P637-C640 VanDerWaalsContact O-CB 3.32Å; P637-C640 WeakPolarHBondContact O-CB 3.3Å; P637-C640 PolarHBondContact O-N 3.4Å; P637-C640 PolarHBondContact O-SG 3.48Å
638	E	73.9	Confident	67.3	Low	182 Å²	182	91.3 Å²	91.3	85%	0.85	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.5	177.3	-63.9	178.5	-136.6	0	0	112.8	G636	G636-E638 VanDerWaalsContact C-N 3.35Å
639	G	72.8	Confident	65.3	Low	8 Å²	8	95.8 Å²	95.8	8%	0.082	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-78.6	-12.1	172.9	0	0	0	0	0	114.8	C632 V633 P635 G636 P637	C632-G639 CarbonylContact C-O 3.58Å; C632-G639 WeakPolarHBondContact CA-O 3.32Å; C632-G639 VanDerWaalsContact CB-O 3.23Å; C632-G639 WeakPolarHBondContact CB-O 3.34Å; V633-G639 PolarHBondContact N-O 3.48Å; P635-G639 PolarHBondContact O-N 2.76Å; G636-G639 PolarHBondContact O-N 2.99Å; P637-G639 PolarHBondContact O-N 2.8Å
640	C	81.4	Confident	63.7	Low	24 Å²	24	98.5 Å²	98.5	16%	0.162	57%	0.567	C	S	.	*	B	Isolated β-bridge	trans	-64.3	142.5	179.2	-60.2	0	0	0	0	111.3	C628 P637 G642	C628-C640 WeakPolarHBondContact CA-SG 3.3Å; C628-C640 HydrophobicContact CB-CB 3.82Å; C628-C640 WeakPolarHBondContact CB-SG 3.32Å; C628-C640 WeakPolarHBondContact SG-CA 3.26Å; C628-C640 WeakPolarHBondContact SG-CB 3.3Å; C628-C640 CovalentContact SG-SG 2.03Å; C628-C640 PolarHBondContact SG-SG 2.98Å; P637-C640 VanDerWaalsContact O-CB 3.32Å; P637-C640 WeakPolarHBondContact O-CB 3.3Å; P637-C640 PolarHBondContact O-N 3.4Å; P637-C640 PolarHBondContact O-SG 3.48Å; C640-G642 PolarHBondContact O-N 2.04Å
641	Q	63.6	Low	62.1	Low	138 Å²	138	98.5 Å²	98.5	65%	0.645	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	68.8	166.7	-68.1	-161.3	7.1	0	0	110.4	G631 V633	G631-Q641 PolarHBondContact O-N 2.81Å; V633-Q641 HydrophobicContact CG1-CG 4.1Å
642	G	60.3	Low	60.2	Low	61 Å²	61	101 Å²	101	63%	0.629	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.9	-11.6	-166.9	0	0	0	0	0	118.9	C640	C640-G642 PolarHBondContact O-N 2.04Å
643	E	41	Very low	58.2	Low	163 Å²	163	104.4 Å²	104.4	76%	0.762	62%	0.622	S	S	*	*			trans	-160.6	143.7	169.7	-119.5	161.4	-138.5	0	0	113.1
644	R	33.5	Very low	56.5	Low	243 Å²	243	102.7 Å²	102.7	92%	0.917	63%	0.626	S	S	*	*			trans	-130.7	95.1	168.2	-86.9	-171.9	174.4	-179.3	-1.3	109.4	S646	R644-S646 PolarHBondContact O-N 2.73Å
645	P	38.8	Very low	55.2	Low	118 Å²	118	107 Å²	107	77%	0.766	65%	0.649	S	S	*	*			trans	-72.8	104.6	167.6	-11.4	28.1	0	0	0	109	G647	P645-G647 PolarHBondContact O-N 3.35Å
646	S	39.3	Very low	53.9	Low	121 Å²	121	106.8 Å²	106.8	85%	0.846	65%	0.646	S	S	*	*			trans	-78.7	100.8	-178.6	57.1	0	0	0	0	111.7	R644	R644-S646 PolarHBondContact O-N 2.73Å
647	G	38.7	Very low	52.8	Low	77 Å²	77	107.5 Å²	107.5	79%	0.794	65%	0.654	S	S	*	*			trans	-96.6	95.6	175.5	0	0	0	0	0	113.7	P645	P645-G647 PolarHBondContact O-N 3.35Å
648	L	34.5	Very low	52.2	Low	174 Å²	174	105.6 Å²	105.6	91%	0.911	65%	0.649	S	S	*	*			trans	-152.9	140.6	159.2	-122.3	166.8	0	0	0	110.5
649	S	41.1	Very low	51.7	Low	100 Å²	100	101.9 Å²	101.9	70%	0.699	63%	0.634	S	S	*	*			trans	-76.9	134.5	-153.5	-57.7	0	0	0	0	116.7	I651	S649-I651 PolarHBondContact O-N 3.46Å
650	I	47.5	Very low	51.7	Low	163 Å²	163	106.2 Å²	106.2	84%	0.836	66%	0.655	S	S	*	*	S	Bend	trans	37.1	71.2	130.9	-40.4	175.3	0	0	0	116.7
651	I	48.3	Very low	51.4	Low	164 Å²	164	108 Å²	108	84%	0.841	67%	0.671	S	S	*	*			trans	-147	-37.4	144.1	-62.8	-168.3	0	0	0	110.6	S649 A653	S649-I651 PolarHBondContact O-N 3.46Å; I651-A653 VanDerWaalsContact C-N 3.28Å; I651-A653 PolarHBondContact O-N 2.85Å
652	A	44.4	Very low	52	Low	56 Å²	56	106.2 Å²	106.2	46%	0.463	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	14.6	-156.6	0	0	0	0	0	119.4	G654 V655 V656	A652-G654 PolarHBondContact O-N 3.39Å; A652-V655 PolarHBondContact O-N 2.81Å; A652-V656 HydrophobicContact CB-CG2 4.15Å; A652-V656 WeakPolarHBondContact O-CG2 3.35Å; A652-V656 PolarHBondContact O-N 2.83Å; A652-V656 VanDerWaalsContact O-N 3.09Å
653	A	47.3	Very low	52.9	Low	87 Å²	87	108.5 Å²	108.5	72%	0.719	67%	0.667	S	S	*	*	H	α-helix	trans	-56	-44.6	-170.2	0	0	0	0	0	114.5	I651 G657	I651-A653 VanDerWaalsContact C-N 3.28Å; I651-A653 PolarHBondContact O-N 2.85Å; A653-G657 PolarHBondContact O-N 3.45Å
654	G	50.5	Low	54.8	Low	69 Å²	69	105.3 Å²	105.3	71%	0.711	65%	0.654	S	S	*	*	H	α-helix	trans	-70.1	-36.1	179.7	0	0	0	0	0	114.1	A652 G658	A652-G654 PolarHBondContact O-N 3.39Å; G654-G658 PolarHBondContact O-N 3.41Å
655	V	57.1	Low	56.9	Low	100 Å²	100	96.3 Å²	96.3	61%	0.606	63%	0.631	S	S	*	*	H	α-helix	trans	-74.4	-39.6	-176.8	-173	0	0	0	0	111	A652 G658 L659	A652-V655 PolarHBondContact O-N 2.81Å; V655-G658 PolarHBondContact O-N 3.21Å; V655-L659 HydrophobicContact CG1-CD1 3.94Å; V655-L659 HydrophobicContact CG1-CG 4.39Å; V655-L659 WeakPolarHBondContact O-CG 3.41Å; V655-L659 PolarHBondContact O-N 2.91Å
656	V	57.5	Low	58.9	Low	85 Å²	85	92.5 Å²	92.5	52%	0.515	61%	0.614	S	S	.	*	H	α-helix	trans	-65.1	-39.2	178	174.5	0	0	0	0	111.4	A652 G658 L659 L660	A652-V656 HydrophobicContact CB-CG2 4.15Å; A652-V656 WeakPolarHBondContact O-CG2 3.35Å; A652-V656 PolarHBondContact O-N 2.83Å; A652-V656 VanDerWaalsContact O-N 3.09Å; V656-G658 PolarHBondContact O-N 3.28Å; V656-L659 PolarHBondContact O-N 2.94Å; V656-L660 VanDerWaalsContact O-CB 3.26Å; V656-L660 WeakPolarHBondContact O-CB 3.21Å; V656-L660 PolarHBondContact O-N 2.94Å
657	G	59.7	Low	60.8	Low	44 Å²	44	91.9 Å²	91.9	45%	0.454	60%	0.6	S	S	.	*	H	α-helix	trans	-59.7	-45.5	174.4	0	0	0	0	0	112.9	A653 L660 A661	A653-G657 PolarHBondContact O-N 3.45Å; G657-L660 PolarHBondContact O-N 2.84Å; G657-A661 WeakPolarHBondContact O-CB 3.34Å; G657-A661 PolarHBondContact O-N 3.11Å
658	G	64.3	Low	62.5	Low	40 Å²	40	91 Å²	91	41%	0.412	58%	0.582	S	S	.	*	H	α-helix	trans	-63.6	-46.7	175.4	0	0	0	0	0	113.1	G654 V655 V656 L660 A661 V662	G654-G658 PolarHBondContact O-N 3.41Å; V655-G658 PolarHBondContact O-N 3.21Å; V656-G658 PolarHBondContact O-N 3.28Å; G658-L660 PolarHBondContact O-N 2.83Å; G658-A661 PolarHBondContact O-N 3.28Å; G658-V662 WeakPolarHBondContact O-CG2 3.44Å; G658-V662 PolarHBondContact O-N 2.9Å
659	L	65.3	Low	64.6	Low	104 Å²	104	86.5 Å²	86.5	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-37.1	178	-73.9	171.7	0	0	0	112.7	V655 V656 V662 L663	V655-L659 HydrophobicContact CG1-CD1 3.94Å; V655-L659 HydrophobicContact CG1-CG 4.39Å; V655-L659 WeakPolarHBondContact O-CG 3.41Å; V655-L659 PolarHBondContact O-N 2.91Å; V656-L659 PolarHBondContact O-N 2.94Å; L659-V662 PolarHBondContact O-N 2.93Å; L659-L663 WeakPolarHBondContact O-CB 3.27Å; L659-L663 WeakPolarHBondContact O-CG 3.42Å; L659-L663 PolarHBondContact O-N 3.31Å
660	L	72.6	Confident	66.3	Low	100 Å²	100	87.9 Å²	87.9	52%	0.524	56%	0.555	S	S	.	*	H	α-helix	trans	-67.6	-41.9	176.6	-168.7	71	0	0	0	111.2	V656 G657 G658 L663 I664	V656-L660 VanDerWaalsContact O-CB 3.26Å; V656-L660 WeakPolarHBondContact O-CB 3.21Å; V656-L660 PolarHBondContact O-N 2.94Å; G657-L660 PolarHBondContact O-N 2.84Å; G658-L660 PolarHBondContact O-N 2.83Å; L660-L663 PolarHBondContact O-N 3.44Å; L660-I664 HydrophobicContact CG-CD1 4Å; L660-I664 WeakPolarHBondContact O-CB 3.34Å; L660-I664 VanDerWaalsContact O-CG1 3.31Å; L660-I664 WeakPolarHBondContact O-CG1 3.03Å; L660-I664 PolarHBondContact O-N 2.86Å
661	A	74.1	Confident	67.7	Low	60 Å²	60	83.2 Å²	83.2	50%	0.496	53%	0.534	S	S	.	.	H	α-helix	trans	-61.4	-42.8	173.5	0	0	0	0	0	111.8	G657 G658 I664 A665	G657-A661 WeakPolarHBondContact O-CB 3.34Å; G657-A661 PolarHBondContact O-N 3.11Å; G658-A661 PolarHBondContact O-N 3.28Å; A661-I664 PolarHBondContact O-N 2.86Å; A661-A665 VanDerWaalsContact O-CB 3.25Å; A661-A665 WeakPolarHBondContact O-CB 3.22Å; A661-A665 PolarHBondContact O-N 2.86Å
662	V	77.4	Confident	69	Low	101 Å²	101	80 Å²	80	61%	0.612	52%	0.519	S	S	*	.	H	α-helix	trans	-65.9	-37.8	175.5	171.3	0	0	0	0	112	G658 L659 G666	G658-V662 WeakPolarHBondContact O-CG2 3.44Å; G658-V662 PolarHBondContact O-N 2.9Å; L659-V662 PolarHBondContact O-N 2.93Å; V662-G666 PolarHBondContact O-N 2.97Å
663	L	78.1	Confident	70.3	Confident	109 Å²	109	82.1 Å²	82.1	57%	0.571	52%	0.522	S	S	*	.	H	α-helix	trans	-67.1	-43.4	174.5	-85.1	164.8	0	0	0	112.5	L659 L660 G666 L667	L659-L663 WeakPolarHBondContact O-CB 3.27Å; L659-L663 WeakPolarHBondContact O-CG 3.42Å; L659-L663 PolarHBondContact O-N 3.31Å; L660-L663 PolarHBondContact O-N 3.44Å; L663-G666 PolarHBondContact O-N 3.48Å; L663-L667 WeakPolarHBondContact O-CB 3.41Å; L663-L667 WeakPolarHBondContact O-CG 3.3Å; L663-L667 PolarHBondContact O-N 2.89Å
664	I	80.8	Confident	71.5	Confident	97 Å²	97	85.8 Å²	85.8	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-67	-40.9	177	-68.7	167.9	0	0	0	110.5	L660 A661 S668	L660-I664 HydrophobicContact CG-CD1 4Å; L660-I664 WeakPolarHBondContact O-CB 3.34Å; L660-I664 VanDerWaalsContact O-CG1 3.31Å; L660-I664 WeakPolarHBondContact O-CG1 3.03Å; L660-I664 PolarHBondContact O-N 2.86Å; A661-I664 PolarHBondContact O-N 2.86Å; I664-S668 VanDerWaalsContact O-CB 3.26Å; I664-S668 WeakPolarHBondContact O-CB 3.46Å; I664-S668 PolarHBondContact O-N 3.34Å; I664-S668 PolarHBondContact O-OG 3.38Å
665	A	78.3	Confident	72.5	Confident	53 Å²	53	91 Å²	91	44%	0.438	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-44.7	172.2	0	0	0	0	0	111.4	A661 S668 V669	A661-A665 VanDerWaalsContact O-CB 3.25Å; A661-A665 WeakPolarHBondContact O-CB 3.22Å; A661-A665 PolarHBondContact O-N 2.86Å; A665-S668 PolarHBondContact O-N 3.21Å; A665-V669 WeakPolarHBondContact O-CB 3.28Å; A665-V669 VanDerWaalsContact O-CG2 3.29Å; A665-V669 WeakPolarHBondContact O-CG2 3.42Å; A665-V669 PolarHBondContact O-N 3.48Å
666	G	79.8	Confident	72.8	Confident	39 Å²	39	95.1 Å²	95.1	40%	0.402	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-43.3	176.9	0	0	0	0	0	113.3	V662 L663 V669 F670	V662-G666 PolarHBondContact O-N 2.97Å; L663-G666 PolarHBondContact O-N 3.48Å; G666-V669 PolarHBondContact O-N 2.83Å; G666-F670 VanDerWaalsContact O-CB 3.28Å; G666-F670 WeakPolarHBondContact O-CB 3.37Å; G666-F670 PolarHBondContact O-N 2.83Å
667	L	79.5	Confident	73	Confident	107 Å²	107	97 Å²	97	56%	0.56	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-42.1	172.9	-82	164.2	0	0	0	111.9	L663 F670 V671	L663-L667 WeakPolarHBondContact O-CB 3.41Å; L663-L667 WeakPolarHBondContact O-CG 3.3Å; L663-L667 PolarHBondContact O-N 2.89Å; L667-F670 PolarHBondContact O-N 2.77Å; L667-V671 WeakPolarHBondContact O-CG2 3.31Å; L667-V671 PolarHBondContact O-N 2.96Å
668	S	74.5	Confident	73.2	Confident	60 Å²	60	98.5 Å²	98.5	42%	0.42	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-44.9	176.8	-60.3	0	0	0	0	111.3	I664 A665 V671 L672	I664-S668 VanDerWaalsContact O-CB 3.26Å; I664-S668 WeakPolarHBondContact O-CB 3.46Å; I664-S668 PolarHBondContact O-N 3.34Å; I664-S668 PolarHBondContact O-OG 3.38Å; A665-S668 PolarHBondContact O-N 3.21Å; S668-V671 PolarHBondContact O-N 3.05Å; S668-L672 WeakPolarHBondContact O-CB 3.46Å; S668-L672 VanDerWaalsContact O-CG 3.26Å; S668-L672 WeakPolarHBondContact O-CG 3.02Å; S668-L672 PolarHBondContact O-N 3.12Å
669	V	78.9	Confident	73.2	Confident	79 Å²	79	102.9 Å²	102.9	48%	0.479	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-43	172.8	168	0	0	0	0	110.8	A665 G666 V671 L672 L673	A665-V669 WeakPolarHBondContact O-CB 3.28Å; A665-V669 VanDerWaalsContact O-CG2 3.29Å; A665-V669 WeakPolarHBondContact O-CG2 3.42Å; A665-V669 PolarHBondContact O-N 3.48Å; G666-V669 PolarHBondContact O-N 2.83Å; V669-V671 PolarHBondContact O-N 2.99Å; V669-L672 PolarHBondContact O-N 3.07Å; V669-L673 HydrophobicContact CG1-CD1 3.72Å; V669-L673 HydrophobicContact CG1-CG 4.15Å; V669-L673 VanDerWaalsContact O-CB 3.3Å; V669-L673 WeakPolarHBondContact O-CB 3.19Å; V669-L673 WeakPolarHBondContact O-CG 3.38Å; V669-L673 PolarHBondContact O-N 2.63Å
670	F	75.8	Confident	72.9	Confident	128 Å²	128	104.4 Å²	104.4	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-62.1	-42.7	176	179.5	-101.2	0	0	0	112.3	G666 L667 L673 R674	G666-F670 VanDerWaalsContact O-CB 3.28Å; G666-F670 WeakPolarHBondContact O-CB 3.37Å; G666-F670 PolarHBondContact O-N 2.83Å; L667-F670 PolarHBondContact O-N 2.77Å; F670-L673 PolarHBondContact O-N 3.31Å; F670-R674 VanDerWaalsContact O-CB 3.23Å; F670-R674 WeakPolarHBondContact O-CB 3.43Å; F670-R674 PolarHBondContact O-N 2.98Å
671	V	77.6	Confident	72.4	Confident	65 Å²	65	105.2 Å²	105.2	39%	0.394	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-41.5	174.9	169.9	0	0	0	0	111.2	L667 S668 V669 R674 R675	L667-V671 WeakPolarHBondContact O-CG2 3.31Å; L667-V671 PolarHBondContact O-N 2.96Å; S668-V671 PolarHBondContact O-N 3.05Å; V669-V671 PolarHBondContact O-N 2.99Å; V671-R674 PolarHBondContact O-N 3.17Å; V671-R675 WeakPolarHBondContact O-CB 3.36Å; V671-R675 VanDerWaalsContact O-CG 3.32Å; V671-R675 WeakPolarHBondContact O-CG 3.47Å; V671-R675 PolarHBondContact O-N 2.87Å
672	L	75.4	Confident	71.9	Confident	98 Å²	98	111 Å²	111	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-40.7	175.6	-72.2	169.8	0	0	0	112.2	S668 V669 R675 R676	S668-L672 WeakPolarHBondContact O-CB 3.46Å; S668-L672 VanDerWaalsContact O-CG 3.26Å; S668-L672 WeakPolarHBondContact O-CG 3.02Å; S668-L672 PolarHBondContact O-N 3.12Å; V669-L672 PolarHBondContact O-N 3.07Å; L672-R675 PolarHBondContact O-N 3.33Å; L672-R676 WeakPolarHBondContact O-CB 3.31Å; L672-R676 WeakPolarHBondContact O-CG 3.35Å; L672-R676 PolarHBondContact O-N 2.9Å
673	L	71.4	Confident	71.1	Confident	100 Å²	100	106.6 Å²	106.6	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-42.5	173.4	-72.9	172.6	0	0	0	111.3	V669 F670 R676 H677	V669-L673 HydrophobicContact CG1-CD1 3.72Å; V669-L673 HydrophobicContact CG1-CG 4.15Å; V669-L673 VanDerWaalsContact O-CB 3.3Å; V669-L673 WeakPolarHBondContact O-CB 3.19Å; V669-L673 WeakPolarHBondContact O-CG 3.38Å; V669-L673 PolarHBondContact O-N 2.63Å; F670-L673 PolarHBondContact O-N 3.31Å; L673-R676 PolarHBondContact O-N 3.31Å; L673-H677 VanDerWaalsContact O-CB 3.22Å; L673-H677 WeakPolarHBondContact O-CB 3.42Å; L673-H677 PolarHBondContact O-N 2.94Å
674	R	73	Confident	70.2	Confident	164 Å²	164	104.9 Å²	104.9	62%	0.619	50%	0.497	S	S	*	.	H	α-helix	trans	-63.5	-43.7	175.2	-171.2	175.6	179.9	-169.5	0.1	111.2	F670 V671 H677 I678	F670-R674 VanDerWaalsContact O-CB 3.23Å; F670-R674 WeakPolarHBondContact O-CB 3.43Å; F670-R674 PolarHBondContact O-N 2.98Å; V671-R674 PolarHBondContact O-N 3.17Å; R674-H677 PolarHBondContact O-N 3.35Å; R674-I678 HydrophobicContact CG-CD1 4.02Å; R674-I678 WeakPolarHBondContact O-CB 3.42Å; R674-I678 VanDerWaalsContact O-CG1 3.24Å; R674-I678 WeakPolarHBondContact O-CG1 3.32Å; R674-I678 PolarHBondContact O-N 3.02Å
675	R	71.4	Confident	69.4	Low	177 Å²	177	107.5 Å²	107.5	67%	0.668	50%	0.501	S	S	*	.	H	α-helix	trans	-61.2	-48.3	173.1	-76.3	177.9	176.2	-166.3	-1.2	111.6	V671 L672 H677 I678 K679	V671-R675 WeakPolarHBondContact O-CB 3.36Å; V671-R675 VanDerWaalsContact O-CG 3.32Å; V671-R675 WeakPolarHBondContact O-CG 3.47Å; V671-R675 PolarHBondContact O-N 2.87Å; L672-R675 PolarHBondContact O-N 3.33Å; R675-H677 PolarHBondContact O-N 2.9Å; R675-I678 PolarHBondContact O-N 2.95Å; R675-K679 PolarHBondContact O-N 3.42Å
676	R	64.3	Low	68.7	Low	188 Å²	188	110.2 Å²	110.2	71%	0.709	50%	0.5	S	S	*	.	H	α-helix	trans	-59.8	-44	175.3	-78.4	177.1	170.5	-178.8	-3.2	112.2	L672 L673 K679 R680	L672-R676 WeakPolarHBondContact O-CB 3.31Å; L672-R676 WeakPolarHBondContact O-CG 3.35Å; L672-R676 PolarHBondContact O-N 2.9Å; L673-R676 PolarHBondContact O-N 3.31Å; R676-K679 PolarHBondContact O-N 2.98Å; R676-R680 WeakPolarHBondContact O-CB 3.19Å; R676-R680 PolarHBondContact O-N 3.12Å
677	H	60.1	Low	67.8	Low	123 Å²	123	109 Å²	109	57%	0.569	48%	0.484	S	S	*	.	H	α-helix	trans	-65.5	-40.3	178.2	-174.4	-104.7	0	0	0	112.2	L673 R674 R675 K681	L673-H677 VanDerWaalsContact O-CB 3.22Å; L673-H677 WeakPolarHBondContact O-CB 3.42Å; L673-H677 PolarHBondContact O-N 2.94Å; R674-H677 PolarHBondContact O-N 3.35Å; R675-H677 PolarHBondContact O-N 2.9Å; H677-K681 WeakPolarHBondContact O-CB 3.35Å; H677-K681 PolarHBondContact O-N 2.89Å
678	I	64.6	Low	66.8	Low	77 Å²	77	106.5 Å²	106.5	40%	0.395	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-44.2	174.4	-69.1	166.1	0	0	0	111.1	R674 R675 K681 R682	R674-I678 HydrophobicContact CG-CD1 4.02Å; R674-I678 WeakPolarHBondContact O-CB 3.42Å; R674-I678 VanDerWaalsContact O-CG1 3.24Å; R674-I678 WeakPolarHBondContact O-CG1 3.32Å; R674-I678 PolarHBondContact O-N 3.02Å; R675-I678 PolarHBondContact O-N 2.95Å; I678-K681 PolarHBondContact O-N 2.97Å; I678-R682 WeakPolarHBondContact O-CG 3Å; I678-R682 PolarHBondContact O-N 2.95Å
679	K	64.8	Low	65.7	Low	131 Å²	131	109.8 Å²	109.8	57%	0.57	48%	0.48	S	S	*	.	H	α-helix	trans	-56.7	-53.3	173.5	-169.9	-175.4	178.5	-168	0	110	R675 R676 K681 R682 T683	R675-K679 PolarHBondContact O-N 3.42Å; R676-K679 PolarHBondContact O-N 2.98Å; K679-K681 PolarHBondContact O-N 2.97Å; K679-R682 PolarHBondContact O-N 3.04Å; K679-T683 PolarHBondContact O-N 2.92Å; K679-T683 PolarHBondContact O-OG1 3.32Å
680	R	59.3	Low	64.1	Low	136 Å²	136	109.8 Å²	109.8	51%	0.513	47%	0.474	S	S	.	.	H	α-helix	trans	-58.3	-40.2	179.9	-164.8	172.9	-178.1	-176.7	-0.6	113	R676 R682 M684 V743	R676-R680 WeakPolarHBondContact O-CB 3.19Å; R676-R680 PolarHBondContact O-N 3.12Å; R680-R682 VanDerWaalsContact C-N 3.33Å; R680-R682 PolarHBondContact O-N 3.16Å; R680-M684 WeakPolarHBondContact O-CB 3.42Å; R680-M684 PolarHBondContact O-N 3.21Å; R680-V743 HydrophobicContact CG-CG1 4.32Å; R680-V743 HydrophobicContact CG-CG2 4.32Å
681	K	61.9	Low	62.7	Low	117 Å²	117	110.2 Å²	110.2	51%	0.509	47%	0.472	S	S	.	.	H	α-helix	trans	-75.8	-14.7	177	-168.1	171.8	-177.6	177	0	114.2	H677 I678 K679 R685	H677-K681 WeakPolarHBondContact O-CB 3.35Å; H677-K681 PolarHBondContact O-N 2.89Å; I678-K681 PolarHBondContact O-N 2.97Å; K679-K681 PolarHBondContact O-N 2.97Å; K681-R685 PolarHBondContact O-NE 2.85Å
682	R	63.9	Low	60.7	Low	181 Å²	181	112.3 Å²	112.3	68%	0.683	48%	0.478	S	S	*	.	H	α-helix	trans	-85	-57.1	167.9	-74	179.5	176.6	-179.8	-2	110.2	I678 K679 R680 M684 R685 R686	I678-R682 WeakPolarHBondContact O-CG 3Å; I678-R682 PolarHBondContact O-N 2.95Å; K679-R682 PolarHBondContact O-N 3.04Å; R680-R682 VanDerWaalsContact C-N 3.33Å; R680-R682 PolarHBondContact O-N 3.16Å; R682-M684 PolarHBondContact O-N 3.14Å; R682-R685 WeakPolarHBondContact O-CA 3.46Å; R682-R685 PolarHBondContact O-N 2.96Å; R682-R686 PolarHBondContact O-N 3.43Å
683	T	59.7	Low	58.6	Low	10 Å²	10	114.8 Å²	114.8	6%	0.061	49%	0.491	C	S	.	.	H	α-helix	trans	-54.2	-46.3	178.4	-59.4	0	0	0	0	112.4	K679 R685 R686 L687 E741 V743	K679-T683 PolarHBondContact O-N 2.92Å; K679-T683 PolarHBondContact O-OG1 3.32Å; T683-R685 PolarHBondContact O-N 3.44Å; T683-R686 WeakPolarHBondContact O-CB 3.48Å; T683-R686 PolarHBondContact O-N 2.88Å; T683-R686 VanDerWaalsContact O-N 3.07Å; T683-L687 HydrophobicContact CG2-CD1 3.64Å; T683-L687 HydrophobicContact CG2-CG 4.19Å; T683-L687 WeakPolarHBondContact O-CG 3.1Å; T683-L687 PolarHBondContact O-N 3.37Å; T683-E741 VanDerWaalsContact CG2-CD 3.42Å; T683-E741 HydrophobicContact CG2-CG 4.2Å; T683-E741 WeakPolarHBondContact CG2-OE1 3.43Å; T683-E741 WeakPolarHBondContact CG2-OE2 3.32Å; T683-V743 HydrophobicContact CG2-CB 4.11Å; T683-V743 HydrophobicContact CG2-CG2 3.52Å
684	M	58.9	Low	56.9	Low	73 Å²	73	114.3 Å²	114.3	36%	0.36	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-23.1	178	-167.1	179.4	82.6	0	0	113.5	R680 R682 L688 V743 I745	R680-M684 WeakPolarHBondContact O-CB 3.42Å; R680-M684 PolarHBondContact O-N 3.21Å; R682-M684 PolarHBondContact O-N 3.14Å; M684-L688 HydrophobicContact CG-CD1 4.28Å; M684-L688 WeakPolarHBondContact O-CB 3.35Å; M684-L688 VanDerWaalsContact O-CD1 3.27Å; M684-L688 WeakPolarHBondContact O-CD1 3.44Å; M684-L688 WeakPolarHBondContact O-CG 3.45Å; M684-V743 HydrophobicContact CB-CG1 4.15Å; M684-I745 HydrophobicContact CG-CG1 4.37Å
685	R	63.6	Low	54.8	Low	152 Å²	152	115 Å²	115	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-84.3	-32.9	171.6	-84.4	-168.9	-79	-177.1	-0.6	112.7	K681 R682 T683 Q689	K681-R685 PolarHBondContact O-NE 2.85Å; R682-R685 WeakPolarHBondContact O-CA 3.46Å; R682-R685 PolarHBondContact O-N 2.96Å; T683-R685 PolarHBondContact O-N 3.44Å; R685-Q689 WeakPolarHBondContact O-CB 3.17Å
686	R	63.9	Low	53	Low	109 Å²	109	112 Å²	112	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-58.6	-57	170.8	-140.2	-169.5	68.6	-128	-17.2	109.7	R682 T683 L688 Q689 E690 E741	R682-R686 PolarHBondContact O-N 3.43Å; T683-R686 WeakPolarHBondContact O-CB 3.48Å; T683-R686 PolarHBondContact O-N 2.88Å; T683-R686 VanDerWaalsContact O-N 3.07Å; R686-L688 VanDerWaalsContact C-N 3.28Å; R686-L688 PolarHBondContact O-N 3.45Å; R686-L688 VanDerWaalsContact O-N 3.16Å; R686-Q689 CarbonylContact O-C 3.59Å; R686-Q689 PolarHBondContact O-N 2.89Å; R686-E690 VanDerWaalsContact C-OE2 3.28Å; R686-E690 WeakPolarHBondContact CD-OE1 3.2Å; R686-E690 HydrophobicContact CG-CG 4.03Å; R686-E690 WeakPolarHBondContact CG-OE2 3.49Å; R686-E690 IonicContact CZ-OE1 3.38Å; R686-E690 IonicContact CZ-OE2 3.54Å; R686-E690 IonicContact NE-OE1 3.19Å; R686-E690 PolarHBondContact NE-OE1 2.9Å; R686-E690 IonicContact NE-OE2 2.64Å; R686-E690 PolarHBondContact NE-OE2 3.29Å; R686-E690 IonicContact NH2-OE1 3.35Å; R686-E690 IonicContact NH2-OE2 2.74Å; R686-E690 PolarHBondContact NH2-OE2 2.96Å; R686-E690 WeakPolarHBondContact O-CB 3.38Å; R686-E690 WeakPolarHBondContact O-CG 3.18Å; R686-E690 PolarHBondContact O-N 3.24Å; R686-E741 IonicContact CZ-OE1 3.66Å; R686-E741 IonicContact NH1-OE1 2.75Å; R686-E741 PolarHBondContact NH1-OE1 3.46Å; R686-E741 IonicContact NH2-OE1 3.69Å; R686-E741 PolarHBondContact NH2-OE1 3.11Å; R686-E741 VanDerWaalsContact NH2-OE1 3.15Å
687	L	61.2	Low	51.5	Low	13 Å²	13	110.6 Å²	110.6	7%	0.068	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.6	-177.5	-65.6	166.5	0	0	0	115.5	T683 Q689 E690 P738 V743 I745	T683-L687 HydrophobicContact CG2-CD1 3.64Å; T683-L687 HydrophobicContact CG2-CG 4.19Å; T683-L687 WeakPolarHBondContact O-CG 3.1Å; T683-L687 PolarHBondContact O-N 3.37Å; L687-Q689 VanDerWaalsContact C-N 3.34Å; L687-E690 PolarHBondContact N-OE2 3.33Å; L687-P738 HydrophobicContact CD1-CG 3.66Å; L687-P738 HydrophobicContact CD2-CB 4.06Å; L687-P738 HydrophobicContact CD2-CG 3.69Å; L687-P738 HydrophobicContact CG-CG 4.25Å; L687-V743 HydrophobicContact CD1-CB 4.23Å; L687-V743 HydrophobicContact CD1-CG1 4.4Å; L687-I745 HydrophobicContact CB-CD1 3.87Å; L687-I745 HydrophobicContact CD1-CD1 3.84Å
688	L	58.5	Low	50.2	Low	55 Å²	55	110.8 Å²	110.8	29%	0.288	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.8	175	-72.9	173.4	0	0	0	113.1	M684 R686 L783 Q796	M684-L688 HydrophobicContact CG-CD1 4.28Å; M684-L688 WeakPolarHBondContact O-CB 3.35Å; M684-L688 VanDerWaalsContact O-CD1 3.27Å; M684-L688 WeakPolarHBondContact O-CD1 3.44Å; M684-L688 WeakPolarHBondContact O-CG 3.45Å; R686-L688 VanDerWaalsContact C-N 3.28Å; R686-L688 PolarHBondContact O-N 3.45Å; R686-L688 VanDerWaalsContact O-N 3.16Å; L688-L783 HydrophobicContact CD2-CD1 4.01Å; L688-L783 HydrophobicContact CD2-CD2 3.87Å; L688-Q796 VanDerWaalsContact CD1-NE2 3.31Å
689	Q	50.8	Low	48.9	Very low	130 Å²	130	113.4 Å²	113.4	61%	0.607	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	-13.7	-173.3	-162.7	166.8	9.4	0	0	113.4	R685 R686 L687	R685-Q689 WeakPolarHBondContact O-CB 3.17Å; R686-Q689 CarbonylContact O-C 3.59Å; R686-Q689 PolarHBondContact O-N 2.89Å; L687-Q689 VanDerWaalsContact C-N 3.34Å
690	E	45.2	Very low	47.6	Very low	78 Å²	78	112 Å²	112	36%	0.364	55%	0.55	S	S	.	.			trans	-64.3	137	176.5	-90	170.8	136.2	0	0	112.2	R686 L687	R686-E690 VanDerWaalsContact C-OE2 3.28Å; R686-E690 WeakPolarHBondContact CD-OE1 3.2Å; R686-E690 HydrophobicContact CG-CG 4.03Å; R686-E690 WeakPolarHBondContact CG-OE2 3.49Å; R686-E690 IonicContact CZ-OE1 3.38Å; R686-E690 IonicContact CZ-OE2 3.54Å; R686-E690 IonicContact NE-OE1 3.19Å; R686-E690 PolarHBondContact NE-OE1 2.9Å; R686-E690 IonicContact NE-OE2 2.64Å; R686-E690 PolarHBondContact NE-OE2 3.29Å; R686-E690 IonicContact NH2-OE1 3.35Å; R686-E690 IonicContact NH2-OE2 2.74Å; R686-E690 PolarHBondContact NH2-OE2 2.96Å; R686-E690 WeakPolarHBondContact O-CB 3.38Å; R686-E690 WeakPolarHBondContact O-CG 3.18Å; R686-E690 PolarHBondContact O-N 3.24Å; L687-E690 PolarHBondContact N-OE2 3.33Å
691	R	47.6	Very low	46.6	Very low	138 Å²	138	109.9 Å²	109.9	52%	0.521	57%	0.571	S	S	.	*			trans	-116.2	98.8	173.9	-57.7	179.5	-178	-169.8	-2.2	106.1	L708 E775	R691-L708 HydrophobicContact CB-CB 4.21Å; R691-L708 HydrophobicContact CB-CD2 3.77Å; R691-E775 IonicContact CZ-OE2 3.94Å; R691-E775 IonicContact NH2-OE2 3.72Å; R691-E775 PolarHBondContact NH2-OE2 2.83Å
692	E	35.5	Very low	45.3	Very low	108 Å²	108	112.9 Å²	112.9	51%	0.505	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-84.9	131.9	176.2	-77.8	-178	121.6	0	0	110.5	L708 R710	E692-L708 WeakPolarHBondContact O-CD2 3.37Å; E692-L708 WeakPolarHBondContact O-CG 3.44Å; E692-R710 IonicContact OE2-CZ 2.79Å; E692-R710 IonicContact OE2-NH1 3.58Å; E692-R710 PolarHBondContact OE2-NH1 3.39Å; E692-R710 IonicContact OE2-NH2 2.7Å; E692-R710 PolarHBondContact OE2-NH2 3.1Å
693	L	30.6	Very low	43.8	Very low	150 Å²	150	108.9 Å²	108.9	79%	0.785	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-77.5	123.9	-175.6	-166.2	77.3	0	0	0	109.8	L708	L693-L708 HydrophobicContact CB-CD2 4.39Å; L693-L708 HydrophobicContact CD1-CD1 4.43Å; L693-L708 HydrophobicContact CD1-CD2 4.08Å
694	V	35.9	Very low	42.7	Very low	91 Å²	91	113.8 Å²	113.8	55%	0.552	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-100.9	119.4	171.2	-177.2	0	0	0	0	108.2
695	E	29.9	Very low	41.8	Very low	177 Å²	177	116.7 Å²	116.7	83%	0.827	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-72.4	127.7	171.8	-120.1	177	170.6	0	0	109.7
696	P	33.7	Very low	40.8	Very low	115 Å²	115	118 Å²	118	75%	0.747	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-77.3	127.5	179.6	30.3	-33.3	0	0	0	111.1
697	L	31.1	Very low	39.9	Very low	158 Å²	158	113.2 Å²	113.2	83%	0.827	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-79.2	150	158.8	-76.1	164.7	0	0	0	109.7
698	T	33.9	Very low	39.7	Very low	128 Å²	128	115.3 Å²	115.3	79%	0.785	65%	0.649	S	S	*	*	S	Bend	trans	80.9	151	174.2	75.7	0	0	0	0	116.5
699	P	37.3	Very low	40.1	Very low	131 Å²	131	113.9 Å²	113.9	85%	0.851	64%	0.641	S	S	*	*			trans	-124.4	81	-140.5	39.8	-24.2	0	0	0	115
700	S	36.8	Very low	41.4	Very low	101 Å²	101	110.4 Å²	110.4	71%	0.706	62%	0.623	S	S	*	*			trans	-136	109.5	173.3	29.2	0	0	0	0	110.3	Q702	S700-Q702 VanDerWaalsContact C-N 3.34Å; S700-Q702 PolarHBondContact O-N 3.38Å
701	G	39.4	Very low	43.1	Very low	93 Å²	93	111.3 Å²	111.3	96%	0.959	63%	0.629	S	S	*	*			trans	-77.3	66.6	-167.2	0	0	0	0	0	115.8
702	Q	34.1	Very low	44.8	Very low	179 Å²	179	104.8 Å²	104.8	84%	0.836	61%	0.605	S	S	*	*			trans	-114	138.5	162.6	-81.1	171.5	-81.2	0	0	110	S700 P704	S700-Q702 VanDerWaalsContact C-N 3.34Å; S700-Q702 PolarHBondContact O-N 3.38Å; Q702-P704 WeakPolarHBondContact O-CD 3.5Å
703	A	33.2	Very low	47	Very low	98 Å²	98	104.7 Å²	104.7	81%	0.81	60%	0.603	S	S	*	*			trans	-73.2	123.6	-174.7	0	0	0	0	0	111
704	P	36.3	Very low	49.4	Very low	112 Å²	112	101.7 Å²	101.7	73%	0.727	59%	0.585	S	S	*	*			trans	-79.9	158.4	179.2	32.7	-35.2	0	0	0	112.3	Q702	Q702-P704 WeakPolarHBondContact O-CD 3.5Å
705	N	39.9	Very low	51.5	Low	134 Å²	134	103.2 Å²	103.2	72%	0.717	60%	0.596	S	S	*	*			trans	-71.1	178.2	176.4	-63.4	-41.3	0	0	0	112	Y769	N705-Y769 HydrophobicContact CB-CE1 4.35Å; N705-Y769 PolarHBondContact O-OH 3.29Å
706	Q	41.4	Very low	54	Low	180 Å²	180	95.6 Å²	95.6	84%	0.841	56%	0.56	S	S	*	*	S	Bend	trans	-108	61.1	-169.6	-65.9	-170.7	-4.1	0	0	115.2
707	A	45	Very low	56.5	Low	9 Å²	9	90.9 Å²	90.9	7%	0.074	53%	0.528	C	S	.	.			trans	-125.3	129.5	160.5	0	0	0	0	0	111.3	Y769	A707-Y769 HydrophobicContact CB-CD1 4.13Å; A707-Y769 HydrophobicContact CB-CE1 3.65Å; A707-Y769 HydrophobicContact CB-CE2 4.25Å; A707-Y769 PolarHBondContact N-OH 2.83Å; A707-Y769 WeakPolarHBondContact O-CE2 3.29Å; A707-Y769 VanDerWaalsContact O-CZ 3.23Å; A707-Y769 PolarHBondContact O-OH 3.09Å
708	L	56.9	Low	59.1	Low	56 Å²	56	90.7 Å²	90.7	29%	0.293	52%	0.521	S	S	.	.			trans	-95.2	100	175.1	-89.9	44.2	0	0	0	107.9	R691 E692 L693	R691-L708 HydrophobicContact CB-CB 4.21Å; R691-L708 HydrophobicContact CB-CD2 3.77Å; E692-L708 WeakPolarHBondContact O-CD2 3.37Å; E692-L708 WeakPolarHBondContact O-CG 3.44Å; L693-L708 HydrophobicContact CB-CD2 4.39Å; L693-L708 HydrophobicContact CD1-CD1 4.43Å; L693-L708 HydrophobicContact CD1-CD2 4.08Å
709	L	68.4	Low	61.7	Low	26 Å²	26	87.9 Å²	87.9	14%	0.136	50%	0.498	C	S	.	.			trans	-79.9	114.1	175.5	176.8	61.9	0	0	0	109.4	I711 L765 A768 Y769 A772 L782 I785	L709-I711 PolarHBondContact O-N 2.97Å; L709-L765 HydrophobicContact CD2-CD2 4.46Å; L709-A768 HydrophobicContact CD2-CB 4.31Å; L709-Y769 HydrophobicContact CB-CD2 4.37Å; L709-A772 HydrophobicContact CB-CB 4.38Å; L709-A772 HydrophobicContact CD1-CB 3.73Å; L709-L782 HydrophobicContact CD1-CD2 3.76Å; L709-I785 HydrophobicContact CD1-CB 4.37Å; L709-I785 HydrophobicContact CD1-CG2 3.99Å; L709-I785 HydrophobicContact CD2-CG2 4Å; L709-I785 HydrophobicContact CG-CG2 3.91Å
710	R	77.4	Confident	64.1	Low	56 Å²	56	86.2 Å²	86.2	21%	0.211	48%	0.481	C	S	.	.			trans	-77.3	118.3	179.1	-173.7	-176.2	-176.5	105.9	16.9	110.6	E692 L712 E716 G784 I785	E692-R710 IonicContact OE2-CZ 2.79Å; E692-R710 IonicContact OE2-NH1 3.58Å; E692-R710 PolarHBondContact OE2-NH1 3.39Å; E692-R710 IonicContact OE2-NH2 2.7Å; E692-R710 PolarHBondContact OE2-NH2 3.1Å; R710-L712 HydrophobicContact CG-CD2 3.9Å; R710-E716 IonicContact NH2-OE2 3.6Å; R710-G784 CarbonylContact O-C 3.29Å; R710-G784 WeakPolarHBondContact O-CA 3.07Å; R710-I785 PolarHBondContact O-N 3.43Å
711	I	80.6	Confident	66.4	Low	97 Å²	97	88 Å²	88	50%	0.497	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-80.7	129.7	166.6	-58.7	173.6	0	0	0	108.3	L709 I785 L787	L709-I711 PolarHBondContact O-N 2.97Å; I711-I785 CarbonylContact C-O 3.2Å; I711-I785 WeakPolarHBondContact CA-O 3.46Å; I711-I785 HydrophobicContact CG1-CG2 4.25Å; I711-L787 HydrophobicContact CD1-CD1 4.21Å; I711-L787 HydrophobicContact CG1-CD1 4.48Å
712	L	82.8	Confident	68.6	Low	2 Å²	2	86.6 Å²	86.6	1%	0.01	45%	0.449	C	S	.	.			trans	-110	136.7	177	-64.4	-177.8	0	0	0	110.4	R710 E716 F717 W736 I785 C786 I794	R710-L712 HydrophobicContact CG-CD2 3.9Å; L712-E716 WeakPolarHBondContact CD2-OE2 3.49Å; L712-F717 HydrophobicContact CB-CD1 4.13Å; L712-F717 HydrophobicContact CB-CE1 4.03Å; L712-F717 HydrophobicContact CD1-CD1 4.48Å; L712-W736 HydrophobicContact CD2-CZ2 3.96Å; L712-I785 PolarHBondContact N-O 2.9Å; L712-C786 PolarHBondContact O-SG 3.32Å; L712-I794 HydrophobicContact CD1-CB 4.05Å; L712-I794 HydrophobicContact CD1-CD1 4.03Å; L712-I794 HydrophobicContact CD1-CG1 3.93Å; L712-I794 HydrophobicContact CD1-CG2 4.14Å
713	K	83.3	Confident	70.8	Confident	106 Å²	106	82.7 Å²	82.7	46%	0.461	43%	0.433	S	S	.	.			trans	-81	141.8	172.1	-52.4	164.6	-175.5	167.6	0	109.1	P715 E716 F717 E739	K713-P715 VanDerWaalsContact C-CD 3.47Å; K713-P715 VanDerWaalsContact C-N 3.35Å; K713-P715 HydrophobicContact CB-CG 3.95Å; K713-E716 HydrophobicContact CB-CG 4.31Å; K713-E716 PolarHBondContact N-OE1 3.36Å; K713-E716 WeakPolarHBondContact O-CB 3.1Å; K713-E716 PolarHBondContact O-N 3.42Å; K713-F717 WeakPolarHBondContact O-CD1 3.45Å; K713-F717 WeakPolarHBondContact O-CE1 3.08Å; K713-E739 IonicContact NZ-OE1 3.11Å; K713-E739 PolarHBondContact NZ-OE1 2.9Å; K713-E739 IonicContact NZ-OE2 2.77Å; K713-E739 PolarHBondContact NZ-OE2 3.32Å
714	E	79.1	Confident	72.8	Confident	87 Å²	87	79.5 Å²	79.5	41%	0.407	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-49.4	-40.9	173.5	-75.5	-161.1	125.9	0	0	115.6	E716 F717 K719 C786 T788 Q792	E714-E716 PolarHBondContact O-N 3.13Å; E714-E716 VanDerWaalsContact O-N 3.14Å; E714-F717 HydrophobicContact CG-CZ 4.08Å; E714-F717 PolarHBondContact O-N 2.8Å; E714-F717 VanDerWaalsContact O-N 3.09Å; E714-K719 IonicContact OE1-NZ 2.99Å; E714-C786 VanDerWaalsContact CG-SG 3.57Å; E714-T788 HydrophobicContact CG-CG2 3.86Å; E714-Q792 PolarHBondContact OE1-NE2 3.38Å
715	P	81.3	Confident	74.6	Confident	123 Å²	123	76.6 Å²	76.6	80%	0.799	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-61.5	-18	175.5	21.8	-35.1	0	0	0	115.3	K713 F717	K713-P715 VanDerWaalsContact C-CD 3.47Å; K713-P715 VanDerWaalsContact C-N 3.35Å; K713-P715 HydrophobicContact CB-CG 3.95Å; P715-F717 VanDerWaalsContact C-N 3.3Å
716	E	81.9	Confident	75.8	Confident	16 Å²	16	71.5 Å²	71.5	8%	0.075	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-73.1	-20	174.6	-66.5	178.8	-108.5	0	0	112.8	R710 L712 K713 E714 W736 V737	R710-E716 IonicContact NH2-OE2 3.6Å; L712-E716 WeakPolarHBondContact CD2-OE2 3.49Å; K713-E716 HydrophobicContact CB-CG 4.31Å; K713-E716 PolarHBondContact N-OE1 3.36Å; K713-E716 WeakPolarHBondContact O-CB 3.1Å; K713-E716 PolarHBondContact O-N 3.42Å; E714-E716 PolarHBondContact O-N 3.13Å; E714-E716 VanDerWaalsContact O-N 3.14Å; E716-W736 CarbonylContact O-C 3.36Å; E716-W736 PolarHBondContact OE2-NE1 3.05Å; E716-W736 VanDerWaalsContact OE2-NE1 3.13Å; E716-V737 PolarHBondContact O-N 3.3Å
717	F	86	Confident	76.7	Confident	16 Å²	16	65.6 Å²	65.6	7%	0.07	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141	-174.1	65.2	-94.3	0	0	0	114.6	L712 K713 E714 P715 L735 W736 I749 C786 I794	L712-F717 HydrophobicContact CB-CD1 4.13Å; L712-F717 HydrophobicContact CB-CE1 4.03Å; L712-F717 HydrophobicContact CD1-CD1 4.48Å; K713-F717 WeakPolarHBondContact O-CD1 3.45Å; K713-F717 WeakPolarHBondContact O-CE1 3.08Å; E714-F717 HydrophobicContact CG-CZ 4.08Å; E714-F717 PolarHBondContact O-N 2.8Å; E714-F717 VanDerWaalsContact O-N 3.09Å; P715-F717 VanDerWaalsContact C-N 3.3Å; F717-L735 CarbonylContact C-O 3.56Å; F717-L735 VanDerWaalsContact CA-O 3.23Å; F717-L735 WeakPolarHBondContact CA-O 3.35Å; F717-W736 HydrophobicContact CB-CB 4.27Å; F717-I749 HydrophobicContact CD2-CD1 3.64Å; F717-I749 HydrophobicContact CD2-CG1 4.36Å; F717-I749 HydrophobicContact CE2-CD1 4.28Å; F717-I749 HydrophobicContact CE2-CG2 4.24Å; F717-I749 HydrophobicContact CG-CD1 4.47Å; F717-C786 HydrophobicContact CE1-CB 3.7Å; F717-C786 HydrophobicContact CZ-CB 3.52Å; F717-I794 HydrophobicContact CE1-CD1 4.45Å
718	K	86.6	Confident	77.5	Confident	154 Å²	154	68.9 Å²	68.9	67%	0.67	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.5	179.5	-176.6	165	-176.3	173.1	0	111.5	G734 L735	K718-G734 CarbonylContact O-C 3.58Å; K718-G734 WeakPolarHBondContact O-CA 3.43Å; K718-L735 PolarHBondContact N-O 2.86Å; K718-L735 PolarHBondContact O-N 3.2Å
719	K	88.7	Confident	78.4	Confident	69 Å²	69	66.4 Å²	66.4	30%	0.3	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.3	166.5	-60.5	162.8	-172.6	162.9	0	109.1	E714 Y732 I749	E714-K719 IonicContact OE1-NZ 2.99Å; K719-Y732 HydrophobicContact CB-CD1 4.11Å; K719-Y732 HydrophobicContact CB-CG 4.21Å; K719-Y732 HydrophobicContact CD-CD2 4.47Å; K719-Y732 HydrophobicContact CD-CG 4.47Å; K719-Y732 HydrophobicContact CG-CD1 4.5Å; K719-Y732 HydrophobicContact CG-CG 4.19Å; K719-I749 HydrophobicContact CG-CD1 3.96Å
720	I	86	Confident	79	Confident	97 Å²	97	66 Å²	66	50%	0.497	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-56.1	-172.2	-58.5	169.9	0	0	0	112.7	K733 L735	I720-K733 WeakPolarHBondContact CA-O 3.06Å; I720-K733 WeakPolarHBondContact CB-O 3.47Å; I720-K733 PolarHBondContact N-O 3.45Å; I720-L735 HydrophobicContact CD1-CB 4.18Å; I720-L735 HydrophobicContact CD1-CD1 3.9Å
721	K	86	Confident	79.4	Confident	138 Å²	138	65.3 Å²	65.3	60%	0.6	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.8	177.1	-165.7	-166.6	170	174.9	0	108.6	Y732 K733	K721-Y732 CarbonylContact O-C 3.59Å; K721-Y732 WeakPolarHBondContact O-CA 3.38Å; K721-K733 PolarHBondContact N-O 2.89Å; K721-K733 PolarHBondContact O-N 2.93Å
722	V	85.9	Confident	79.7	Confident	64 Å²	64	64 Å²	64	39%	0.388	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	137.3	164	177.6	0	0	0	0	109.1	T730 Y732	V722-T730 HydrophobicContact CG1-CG2 3.84Å; V722-T730 HydrophobicContact CG2-CG2 4.04Å; V722-Y732 HydrophobicContact CG2-CD1 3.91Å; V722-Y732 HydrophobicContact CG2-CE1 3.54Å
723	L	80.4	Confident	79.8	Confident	96 Å²	96	66.2 Å²	66.2	50%	0.503	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-31.4	170.8	-69.3	173.1	0	0	0	111.6	V731 K733 L797	L723-V731 HydrophobicContact CB-CG1 4.39Å; L723-V731 HydrophobicContact CD1-CG1 4.31Å; L723-V731 PolarHBondContact N-O 2.65Å; L723-K733 HydrophobicContact CD1-CB 3.9Å; L723-K733 HydrophobicContact CD2-CB 4.01Å; L723-K733 HydrophobicContact CG-CB 3.85Å; L723-L797 HydrophobicContact CD1-CD1 3.64Å
724	G	75.5	Confident	80	Confident	32 Å²	32	61.2 Å²	61.2	33%	0.33	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	160.3	174	0	0	0	0	0	111.3	V731	G724-V731 PolarHBondContact N-O 3.47Å; G724-V731 PolarHBondContact O-N 3.03Å
725	S	72.9	Confident	80.4	Confident	51 Å²	51	59.7 Å²	59.7	36%	0.357	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	157.6	171.2	-73.3	0	0	0	0	109.4	T730 A1018	S725-T730 WeakPolarHBondContact OG-CG2 3.33Å; S725-T730 PolarHBondContact OG-OG1 2.92Å; S725-A1018 WeakPolarHBondContact O-CB 3.34Å
726	G	65.8	Low	80.6	Confident	27 Å²	27	54 Å²	54	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-168.8	174.1	0	0	0	0	0	112.4	F728 G729	G726-F728 VanDerWaalsContact C-N 3.26Å; G726-F728 PolarHBondContact O-N 2.96Å; G726-G729 PolarHBondContact N-O 2.82Å; G726-G729 PolarHBondContact O-N 2.85Å; G726-G729 VanDerWaalsContact O-N 3.1Å
727	A	59.3	Low	80.6	Confident	56 Å²	56	55.7 Å²	55.7	46%	0.463	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-41.3	-179.7	0	0	0	0	0	112.5	G729 K880	A727-G729 PolarHBondContact O-N 2.92Å; A727-K880 HydrophobicContact CB-CD 4.29Å
728	F	63	Low	80	Confident	78 Å²	78	55.2 Å²	55.2	34%	0.342	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	21.9	-178.7	-47.3	-59.3	0	0	0	113.9	G726 K750 L752 L863	G726-F728 VanDerWaalsContact C-N 3.26Å; G726-F728 PolarHBondContact O-N 2.96Å; F728-K750 WeakPolarHBondContact O-CE 3.33Å; F728-L752 WeakPolarHBondContact O-CD2 3.29Å; F728-L863 HydrophobicContact CD1-CD1 3.73Å; F728-L863 HydrophobicContact CD1-CD2 4.36Å; F728-L863 HydrophobicContact CD2-CD1 4.03Å; F728-L863 HydrophobicContact CE1-CD1 3.42Å; F728-L863 VanDerWaalsContact CE1-CD1 3.42Å; F728-L863 HydrophobicContact CE1-CD2 4.46Å; F728-L863 HydrophobicContact CE2-CD1 3.72Å; F728-L863 HydrophobicContact CG-CD1 4.03Å; F728-L863 HydrophobicContact CZ-CD1 3.42Å; F728-L863 VanDerWaalsContact CZ-CD1 3.42Å
729	G	74.6	Confident	79.2	Confident	4 Å²	4	54.5 Å²	54.5	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.8	-160.8	176.7	0	0	0	0	0	115.4	G726 A727 V751	G726-G729 PolarHBondContact N-O 2.82Å; G726-G729 PolarHBondContact O-N 2.85Å; G726-G729 VanDerWaalsContact O-N 3.1Å; A727-G729 PolarHBondContact O-N 2.92Å; G729-V751 CarbonylContact C-O 3.42Å; G729-V751 VanDerWaalsContact CA-O 3.29Å; G729-V751 WeakPolarHBondContact CA-O 3.41Å
730	T	81.2	Confident	78.1	Confident	18 Å²	18	55.3 Å²	55.3	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.6	-170.9	-63.7	0	0	0	0	110.9	V722 S725 Y732 V751	V722-T730 HydrophobicContact CG1-CG2 3.84Å; V722-T730 HydrophobicContact CG2-CG2 4.04Å; S725-T730 WeakPolarHBondContact OG-CG2 3.33Å; S725-T730 PolarHBondContact OG-OG1 2.92Å; T730-Y732 HydrophobicContact CG2-CD2 4.16Å; T730-Y732 HydrophobicContact CG2-CE1 4.46Å; T730-Y732 HydrophobicContact CG2-CE2 3.55Å; T730-V751 PolarHBondContact N-O 2.79Å; T730-V751 PolarHBondContact O-N 3.01Å
731	V	86.3	Confident	77.3	Confident	40 Å²	40	52.5 Å²	52.5	24%	0.242	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	179.7	-174	0	0	0	0	109.8	L723 G724 A748 I749 K750	L723-V731 HydrophobicContact CB-CG1 4.39Å; L723-V731 HydrophobicContact CD1-CG1 4.31Å; L723-V731 PolarHBondContact N-O 2.65Å; G724-V731 PolarHBondContact N-O 3.47Å; G724-V731 PolarHBondContact O-N 3.03Å; V731-A748 HydrophobicContact CG1-CB 4.1Å; V731-I749 WeakPolarHBondContact CA-O 3.04Å; V731-K750 HydrophobicContact CG2-CB 4.13Å; V731-K750 HydrophobicContact CG2-CG 4.04Å
732	Y	87.5	Confident	76.4	Confident	71 Å²	71	53.3 Å²	53.3	28%	0.278	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.1	175.8	-63.3	-98.3	0	0	0	111.1	K719 K721 V722 T730 G734 A748 I749 V751	K719-Y732 HydrophobicContact CB-CD1 4.11Å; K719-Y732 HydrophobicContact CB-CG 4.21Å; K719-Y732 HydrophobicContact CD-CD2 4.47Å; K719-Y732 HydrophobicContact CD-CG 4.47Å; K719-Y732 HydrophobicContact CG-CD1 4.5Å; K719-Y732 HydrophobicContact CG-CG 4.19Å; K721-Y732 CarbonylContact O-C 3.59Å; K721-Y732 WeakPolarHBondContact O-CA 3.38Å; V722-Y732 HydrophobicContact CG2-CD1 3.91Å; V722-Y732 HydrophobicContact CG2-CE1 3.54Å; T730-Y732 HydrophobicContact CG2-CD2 4.16Å; T730-Y732 HydrophobicContact CG2-CE1 4.46Å; T730-Y732 HydrophobicContact CG2-CE2 3.55Å; Y732-G734 PolarHBondContact O-N 3.05Å; Y732-A748 CarbonylContact O-C 3.57Å; Y732-A748 WeakPolarHBondContact O-CA 3.19Å; Y732-I749 PolarHBondContact N-O 3.37Å; Y732-I749 PolarHBondContact O-N 2.9Å; Y732-V751 HydrophobicContact CD2-CG2 3.88Å; Y732-V751 HydrophobicContact CE2-CB 4.25Å; Y732-V751 HydrophobicContact CE2-CG2 3.79Å
733	K	85.5	Confident	75.7	Confident	47 Å²	47	50.6 Å²	50.6	20%	0.204	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	128.6	156.7	-180	175.5	177.2	-176.9	0	107.5	I720 K721 L723 L797 L1006	I720-K733 WeakPolarHBondContact CA-O 3.06Å; I720-K733 WeakPolarHBondContact CB-O 3.47Å; I720-K733 PolarHBondContact N-O 3.45Å; K721-K733 PolarHBondContact N-O 2.89Å; K721-K733 PolarHBondContact O-N 2.93Å; L723-K733 HydrophobicContact CD1-CB 3.9Å; L723-K733 HydrophobicContact CD2-CB 4.01Å; L723-K733 HydrophobicContact CG-CB 3.85Å; K733-L797 HydrophobicContact CD-CD2 4.37Å; K733-L797 HydrophobicContact CG-CD2 4Å; K733-L1006 PolarHBondContact NZ-O 3.22Å
734	G	87.3	Confident	75.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	174.5	179.8	0	0	0	0	0	114.2	K718 Y732 V747	K718-G734 CarbonylContact O-C 3.58Å; K718-G734 WeakPolarHBondContact O-CA 3.43Å; Y732-G734 PolarHBondContact O-N 3.05Å; G734-V747 PolarHBondContact N-O 2.75Å; G734-V747 PolarHBondContact O-N 2.99Å
735	L	86.4	Confident	75.8	Confident	55 Å²	55	50.5 Å²	50.5	29%	0.288	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.3	169.1	-117.4	66	0	0	0	108.6	F717 K718 I720 K744 I745	F717-L735 CarbonylContact C-O 3.56Å; F717-L735 VanDerWaalsContact CA-O 3.23Å; F717-L735 WeakPolarHBondContact CA-O 3.35Å; K718-L735 PolarHBondContact N-O 2.86Å; K718-L735 PolarHBondContact O-N 3.2Å; I720-L735 HydrophobicContact CD1-CB 4.18Å; I720-L735 HydrophobicContact CD1-CD1 3.9Å; L735-K744 HydrophobicContact CD2-CB 3.79Å; L735-K744 HydrophobicContact CD2-CD 3.88Å; L735-K744 HydrophobicContact CD2-CG 3.97Å; L735-K744 HydrophobicContact CG-CB 4.22Å; L735-I745 CarbonylContact C-O 3.51Å; L735-I745 WeakPolarHBondContact CA-O 3.02Å
736	W	85.1	Confident	76.3	Confident	3 Å²	3	51 Å²	51	1%	0.011	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.4	165.8	174.6	47.5	0	0	0	109.3	L712 E716 F717 P738 I745 V747	L712-W736 HydrophobicContact CD2-CZ2 3.96Å; E716-W736 CarbonylContact O-C 3.36Å; E716-W736 PolarHBondContact OE2-NE1 3.05Å; E716-W736 VanDerWaalsContact OE2-NE1 3.13Å; F717-W736 HydrophobicContact CB-CB 4.27Å; W736-P738 HydrophobicContact CD2-CG 4.29Å; W736-P738 HydrophobicContact CH2-CG 4.03Å; W736-P738 HydrophobicContact CZ2-CB 3.85Å; W736-P738 HydrophobicContact CZ2-CG 3.68Å; W736-P738 HydrophobicContact CZ3-CG 4.47Å; W736-I745 HydrophobicContact CE3-CB 4.3Å; W736-I745 HydrophobicContact CE3-CD1 3.86Å; W736-I745 HydrophobicContact CE3-CG2 4.42Å; W736-I745 HydrophobicContact CZ3-CD1 3.84Å; W736-I745 PolarHBondContact N-O 3.06Å; W736-I745 PolarHBondContact O-N 3.03Å; W736-V747 HydrophobicContact CB-CG1 3.81Å; W736-V747 HydrophobicContact CB-CG2 4.12Å
737	V	83.4	Confident	77.4	Confident	53 Å²	53	49.7 Å²	49.7	32%	0.321	28%	0.28	S	S	.	.			trans	-135.8	98.8	179.4	-170.7	0	0	0	0	106.4	E716 K744	E716-V737 PolarHBondContact O-N 3.3Å; V737-K744 HydrophobicContact CG2-CG 3.82Å
738	P	72.8	Confident	78.8	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.032	26%	0.263	C	S	.	.			trans	-63.4	144.5	-177.8	-9.6	19	0	0	0	111.3	L687 W736 G740 E741	L687-P738 HydrophobicContact CD1-CG 3.66Å; L687-P738 HydrophobicContact CD2-CB 4.06Å; L687-P738 HydrophobicContact CD2-CG 3.69Å; L687-P738 HydrophobicContact CG-CG 4.25Å; W736-P738 HydrophobicContact CD2-CG 4.29Å; W736-P738 HydrophobicContact CH2-CG 4.03Å; W736-P738 HydrophobicContact CZ2-CB 3.85Å; W736-P738 HydrophobicContact CZ2-CG 3.68Å; W736-P738 HydrophobicContact CZ3-CG 4.47Å; P738-G740 PolarHBondContact O-N 3.14Å; P738-E741 PolarHBondContact O-N 3.37Å; P738-E741 VanDerWaalsContact O-N 3.09Å
739	E	69	Low	80.1	Confident	140 Å²	140	43.9 Å²	43.9	65%	0.654	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	119	177.6	-160.3	164.9	-156.2	0	0	110.4	K713	K713-E739 IonicContact NZ-OE1 3.11Å; K713-E739 PolarHBondContact NZ-OE1 2.9Å; K713-E739 IonicContact NZ-OE2 2.77Å; K713-E739 PolarHBondContact NZ-OE2 3.32Å
740	G	66.4	Low	80.7	Confident	85 Å²	85	44.9 Å²	44.9	88%	0.876	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.4	-2.9	-178.1	0	0	0	0	0	117.4	P738	P738-G740 PolarHBondContact O-N 3.14Å
741	E	69.8	Low	80.9	Confident	38 Å²	38	45 Å²	45	18%	0.178	25%	0.25	C	S	.	.			trans	-122.5	128.2	-179.5	-74.1	-83.7	-158	0	0	113.4	T683 R686 P738 V743	T683-E741 VanDerWaalsContact CG2-CD 3.42Å; T683-E741 HydrophobicContact CG2-CG 4.2Å; T683-E741 WeakPolarHBondContact CG2-OE1 3.43Å; T683-E741 WeakPolarHBondContact CG2-OE2 3.32Å; R686-E741 IonicContact CZ-OE1 3.66Å; R686-E741 IonicContact NH1-OE1 2.75Å; R686-E741 PolarHBondContact NH1-OE1 3.46Å; R686-E741 IonicContact NH2-OE1 3.69Å; R686-E741 PolarHBondContact NH2-OE1 3.11Å; R686-E741 VanDerWaalsContact NH2-OE1 3.15Å; P738-E741 PolarHBondContact O-N 3.37Å; P738-E741 VanDerWaalsContact O-N 3.09Å; E741-V743 PolarHBondContact O-N 2.88Å
742	D	66.9	Low	80.5	Confident	155 Å²	155	44.7 Å²	44.7	83%	0.829	25%	0.247	S	C	*	.			trans	-62.8	6.9	176.8	-78.3	-43.4	0	0	0	115	K744	D742-K744 PolarHBondContact O-N 3.16Å
743	V	70.4	Confident	79.7	Confident	8 Å²	8	48.5 Å²	48.5	5%	0.048	26%	0.261	C	S	.	.			trans	-100.1	94.9	-165.8	-176.3	0	0	0	0	111.7	R680 T683 M684 L687 E741 I745	R680-V743 HydrophobicContact CG-CG1 4.32Å; R680-V743 HydrophobicContact CG-CG2 4.32Å; T683-V743 HydrophobicContact CG2-CB 4.11Å; T683-V743 HydrophobicContact CG2-CG2 3.52Å; M684-V743 HydrophobicContact CB-CG1 4.15Å; L687-V743 HydrophobicContact CD1-CB 4.23Å; L687-V743 HydrophobicContact CD1-CG1 4.4Å; E741-V743 PolarHBondContact O-N 2.88Å; V743-I745 HydrophobicContact CG1-CG1 4.14Å; V743-I745 PolarHBondContact O-N 2.77Å
744	K	78.1	Confident	78.3	Confident	123 Å²	123	54.3 Å²	54.3	54%	0.535	29%	0.289	S	S	.	.			trans	-65.4	115.2	168.1	-66.3	174.3	177.8	-174.3	0	110.8	L735 V737 D742	L735-K744 HydrophobicContact CD2-CB 3.79Å; L735-K744 HydrophobicContact CD2-CD 3.88Å; L735-K744 HydrophobicContact CD2-CG 3.97Å; L735-K744 HydrophobicContact CG-CB 4.22Å; V737-K744 HydrophobicContact CG2-CG 3.82Å; D742-K744 PolarHBondContact O-N 3.16Å
745	I	80	Confident	76.4	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.2	178.5	-64.2	177.7	0	0	0	109.5	M684 L687 L735 W736 V743 V747	M684-I745 HydrophobicContact CG-CG1 4.37Å; L687-I745 HydrophobicContact CB-CD1 3.87Å; L687-I745 HydrophobicContact CD1-CD1 3.84Å; L735-I745 CarbonylContact C-O 3.51Å; L735-I745 WeakPolarHBondContact CA-O 3.02Å; W736-I745 HydrophobicContact CE3-CB 4.3Å; W736-I745 HydrophobicContact CE3-CD1 3.86Å; W736-I745 HydrophobicContact CE3-CG2 4.42Å; W736-I745 HydrophobicContact CZ3-CD1 3.84Å; W736-I745 PolarHBondContact N-O 3.06Å; W736-I745 PolarHBondContact O-N 3.03Å; V743-I745 HydrophobicContact CG1-CG1 4.14Å; V743-I745 PolarHBondContact O-N 2.77Å; I745-V747 HydrophobicContact CG2-CG1 4.14Å
746	P	84.3	Confident	74.5	Confident	62 Å²	62	59.5 Å²	59.5	40%	0.403	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.6	173.7	31.5	-33.2	0	0	0	111	L797	P746-L797 HydrophobicContact CB-CB 4.2Å; P746-L797 HydrophobicContact CB-CD2 4.04Å; P746-L797 PolarHBondContact O-N 2.96Å
747	V	88.6	Confident	73	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.2	-175.9	-67.6	0	0	0	0	111.5	G734 W736 I745 I749 L783 I794 T795	G734-V747 PolarHBondContact N-O 2.75Å; G734-V747 PolarHBondContact O-N 2.99Å; W736-V747 HydrophobicContact CB-CG1 3.81Å; W736-V747 HydrophobicContact CB-CG2 4.12Å; I745-V747 HydrophobicContact CG2-CG1 4.14Å; V747-I749 HydrophobicContact CG2-CD1 4.13Å; V747-I749 HydrophobicContact CG2-CG1 3.91Å; V747-L783 HydrophobicContact CG1-CD1 4.21Å; V747-I794 HydrophobicContact CB-CG2 3.81Å; V747-I794 HydrophobicContact CG1-CG2 3.81Å; V747-I794 HydrophobicContact CG2-CG2 4.17Å; V747-T795 CarbonylContact C-O 3.59Å; V747-T795 VanDerWaalsContact CA-O 3.28Å; V747-T795 WeakPolarHBondContact CA-O 3.44Å; V747-T795 WeakPolarHBondContact CB-O 3.4Å
748	A	89.3	Confident	71.5	Confident	12 Å²	12	64.9 Å²	64.9	10%	0.099	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.5	160.8	0	0	0	0	0	108.2	V731 Y732 I794 T795 L797	V731-A748 HydrophobicContact CG1-CB 4.1Å; Y732-A748 CarbonylContact O-C 3.57Å; Y732-A748 WeakPolarHBondContact O-CA 3.19Å; A748-I794 WeakPolarHBondContact O-CA 3.42Å; A748-T795 PolarHBondContact N-O 2.89Å; A748-T795 PolarHBondContact O-N 3.04Å; A748-L797 HydrophobicContact CB-CD1 4.26Å
749	I	88.8	Confident	70.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	102.1	-177	-55.7	158.1	0	0	0	107.2	F717 K719 V731 Y732 V747 V751 Q792 L793 I794	F717-I749 HydrophobicContact CD2-CD1 3.64Å; F717-I749 HydrophobicContact CD2-CG1 4.36Å; F717-I749 HydrophobicContact CE2-CD1 4.28Å; F717-I749 HydrophobicContact CE2-CG2 4.24Å; F717-I749 HydrophobicContact CG-CD1 4.47Å; K719-I749 HydrophobicContact CG-CD1 3.96Å; V731-I749 WeakPolarHBondContact CA-O 3.04Å; Y732-I749 PolarHBondContact N-O 3.37Å; Y732-I749 PolarHBondContact O-N 2.9Å; V747-I749 HydrophobicContact CG2-CD1 4.13Å; V747-I749 HydrophobicContact CG2-CG1 3.91Å; I749-V751 HydrophobicContact CG2-CG2 4.28Å; I749-V751 PolarHBondContact O-N 2.77Å; I749-Q792 HydrophobicContact CG2-CB 4.08Å; I749-L793 CarbonylContact C-O 3.51Å; I749-L793 WeakPolarHBondContact CA-O 3.42Å; I749-I794 HydrophobicContact CG1-CG1 4.29Å; I749-I794 HydrophobicContact CG2-CG1 4.46Å
750	K	86.9	Confident	70	Confident	25 Å²	25	66.4 Å²	66.4	11%	0.109	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	105.6	175.5	-176.6	178.5	-178.7	-179.4	0	108.5	F728 V731 L752 Q792 L793 D860	F728-K750 WeakPolarHBondContact O-CE 3.33Å; V731-K750 HydrophobicContact CG2-CB 4.13Å; V731-K750 HydrophobicContact CG2-CG 4.04Å; K750-L752 HydrophobicContact CD-CD2 4.24Å; K750-L752 HydrophobicContact CG-CD2 4.15Å; K750-Q792 CarbonylContact O-C 3.46Å; K750-Q792 WeakPolarHBondContact O-CA 3.24Å; K750-L793 HydrophobicContact CB-CB 4.38Å; K750-L793 PolarHBondContact N-O 2.91Å; K750-L793 PolarHBondContact O-N 2.94Å; K750-D860 IonicContact NZ-OD1 2.69Å; K750-D860 PolarHBondContact NZ-OD1 2.89Å
751	V	86.2	Confident	69.9	Low	21 Å²	21	65 Å²	65	13%	0.127	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.1	173.4	-178.1	0	0	0	0	107.5	G729 T730 Y732 I749 T790 Q792	G729-V751 CarbonylContact C-O 3.42Å; G729-V751 VanDerWaalsContact CA-O 3.29Å; G729-V751 WeakPolarHBondContact CA-O 3.41Å; T730-V751 PolarHBondContact N-O 2.79Å; T730-V751 PolarHBondContact O-N 3.01Å; Y732-V751 HydrophobicContact CD2-CG2 3.88Å; Y732-V751 HydrophobicContact CE2-CB 4.25Å; Y732-V751 HydrophobicContact CE2-CG2 3.79Å; I749-V751 HydrophobicContact CG2-CG2 4.28Å; I749-V751 PolarHBondContact O-N 2.77Å; V751-T790 HydrophobicContact CG1-CG2 4.35Å; V751-Q792 HydrophobicContact CG2-CB 4.41Å; V751-Q792 HydrophobicContact CG2-CG 4.36Å
752	L	78.3	Confident	69.7	Low	33 Å²	33	69.3 Å²	69.3	17%	0.173	37%	0.365	C	S	.	.			trans	-72.7	146.4	179.4	-56.7	-178.1	0	0	0	110.2	F728 K750 I764 V791 L793	F728-L752 WeakPolarHBondContact O-CD2 3.29Å; K750-L752 HydrophobicContact CD-CD2 4.24Å; K750-L752 HydrophobicContact CG-CD2 4.15Å; L752-I764 HydrophobicContact CD1-CD1 4.46Å; L752-I764 HydrophobicContact CD1-CG2 3.96Å; L752-V791 HydrophobicContact CD1-CB 4.19Å; L752-V791 HydrophobicContact CD1-CG1 4.06Å; L752-V791 PolarHBondContact N-O 2.74Å; L752-L793 HydrophobicContact CD1-CD1 4.33Å; L752-L793 HydrophobicContact CD2-CD1 4.25Å
753	R	69.5	Low	69.7	Low	150 Å²	150	66.1 Å²	66.1	57%	0.566	35%	0.345	S	S	*	.			trans	-79.9	139.2	170.4	-77.9	166.2	-174.7	-166	1.6	109.2
754	E	58	Low	69.6	Low	169 Å²	169	67.3 Å²	67.3	79%	0.79	35%	0.351	S	S	*	.			trans	-2.4	116.1	-178.3	-62.6	-179.2	145.1	0	0	119.1
755	A	46.3	Very low	69.4	Low	31 Å²	31	64.5 Å²	64.5	26%	0.256	34%	0.341	S	S	.	.			trans	-119.9	76.9	163.7	0	0	0	0	0	109.7	S757 A760 N761 I764	A755-S757 VanDerWaalsContact C-N 3.25Å; A755-S757 PolarHBondContact O-N 2.7Å; A755-A760 HydrophobicContact CB-CB 4.25Å; A755-N761 PolarHBondContact O-ND2 3.46Å; A755-I764 HydrophobicContact CB-CD1 3.64Å
756	T	46.7	Very low	68.9	Low	134 Å²	134	69 Å²	69	82%	0.822	37%	0.365	S	S	*	.			trans	-80.2	4.4	-174.8	46.8	0	0	0	0	114.5
757	S	52.4	Low	68.4	Low	52 Å²	52	68.1 Å²	68.1	36%	0.364	36%	0.356	S	S	.	.	S	Bend	trans	-104	138.1	174.5	103.3	0	0	0	0	111.6	A755 K759 A760 N761	A755-S757 VanDerWaalsContact C-N 3.25Å; A755-S757 PolarHBondContact O-N 2.7Å; S757-K759 PolarHBondContact O-N 2.87Å; S757-A760 PolarHBondContact O-N 3.17Å; S757-A760 WeakPolarHBondContact OG-CB 3.24Å; S757-A760 PolarHBondContact OG-N 3.45Å; S757-A760 VanDerWaalsContact OG-N 3.1Å; S757-N761 PolarHBondContact O-N 2.74Å; S757-N761 PolarHBondContact O-ND2 3.39Å
758	P	53.5	Low	67.8	Low	118 Å²	118	68.2 Å²	68.2	77%	0.766	36%	0.357	S	S	*	.	H	α-helix	trans	-59.6	-32.6	175.7	-26.6	35.7	0	0	0	113.5	N761 Q762	P758-N761 PolarHBondContact O-N 2.89Å; P758-Q762 PolarHBondContact O-N 3.38Å
759	K	51.9	Low	67.2	Low	150 Å²	150	70.8 Å²	70.8	65%	0.652	36%	0.364	S	S	*	.	H	α-helix	trans	-67.2	-45.2	-180	-167	-172.2	177.7	-156.6	0	111.9	S757 N761 Q762 E763	S757-K759 PolarHBondContact O-N 2.87Å; K759-N761 VanDerWaalsContact C-N 3.26Å; K759-N761 PolarHBondContact O-N 3.19Å; K759-Q762 PolarHBondContact O-N 2.78Å; K759-Q762 VanDerWaalsContact O-N 3.11Å; K759-E763 WeakPolarHBondContact CE-OE1 3.02Å; K759-E763 IonicContact NZ-OE1 2.69Å; K759-E763 PolarHBondContact O-N 2.04Å
760	A	58.7	Low	66.6	Low	27 Å²	27	71.9 Å²	71.9	22%	0.223	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-34.7	177.8	0	0	0	0	0	112.1	A755 S757 Q762 E763 I764	A755-A760 HydrophobicContact CB-CB 4.25Å; S757-A760 PolarHBondContact O-N 3.17Å; S757-A760 WeakPolarHBondContact OG-CB 3.24Å; S757-A760 PolarHBondContact OG-N 3.45Å; S757-A760 VanDerWaalsContact OG-N 3.1Å; A760-Q762 VanDerWaalsContact C-N 3.3Å; A760-Q762 PolarHBondContact O-N 2.88Å; A760-E763 PolarHBondContact O-N 2.85Å; A760-I764 WeakPolarHBondContact O-CB 3.38Å; A760-I764 WeakPolarHBondContact O-CD1 3.37Å; A760-I764 WeakPolarHBondContact O-CG1 3.3Å; A760-I764 PolarHBondContact O-N 2.92Å
761	N	63.4	Low	66.1	Low	56 Å²	56	71.2 Å²	71.2	30%	0.299	37%	0.368	S	S	.	.	H	α-helix	trans	-66.6	-29.1	176.7	-73.2	-59.1	0	0	0	113.3	A755 S757 P758 K759 L765	A755-N761 PolarHBondContact O-ND2 3.46Å; S757-N761 PolarHBondContact O-N 2.74Å; S757-N761 PolarHBondContact O-ND2 3.39Å; P758-N761 PolarHBondContact O-N 2.89Å; K759-N761 VanDerWaalsContact C-N 3.26Å; K759-N761 PolarHBondContact O-N 3.19Å; N761-L765 WeakPolarHBondContact O-CD1 3.22Å; N761-L765 VanDerWaalsContact O-CG 3.29Å; N761-L765 WeakPolarHBondContact O-CG 3.47Å; N761-L765 PolarHBondContact O-N 3.07Å
762	Q	65.3	Low	65.8	Low	128 Å²	128	70.3 Å²	70.3	60%	0.598	36%	0.363	S	S	*	.	H	α-helix	trans	-74.6	-44.3	173.4	-172.6	168	-7.4	0	0	111.4	P758 K759 A760 I764 L765 D766	P758-Q762 PolarHBondContact O-N 3.38Å; K759-Q762 PolarHBondContact O-N 2.78Å; K759-Q762 VanDerWaalsContact O-N 3.11Å; A760-Q762 VanDerWaalsContact C-N 3.3Å; A760-Q762 PolarHBondContact O-N 2.88Å; Q762-I764 VanDerWaalsContact C-N 3.31Å; Q762-I764 PolarHBondContact O-N 2.93Å; Q762-L765 WeakPolarHBondContact O-CB 3.34Å; Q762-L765 PolarHBondContact O-N 3.06Å; Q762-D766 PolarHBondContact O-N 2.96Å
763	E	66.8	Low	65.7	Low	87 Å²	87	70.7 Å²	70.7	41%	0.407	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-40.7	176.3	-66	171	-165.4	0	0	111.5	K759 A760 L765 D766 E767	K759-E763 WeakPolarHBondContact CE-OE1 3.02Å; K759-E763 IonicContact NZ-OE1 2.69Å; K759-E763 PolarHBondContact O-N 2.04Å; A760-E763 PolarHBondContact O-N 2.85Å; E763-L765 VanDerWaalsContact C-N 3.35Å; E763-L765 PolarHBondContact O-N 3.1Å; E763-D766 PolarHBondContact O-N 2.79Å; E763-E767 PolarHBondContact O-N 3.47Å
764	I	69.9	Low	66.2	Low	34 Å²	34	63.6 Å²	63.6	17%	0.174	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-33.9	173.8	-69	164.3	0	0	0	112.5	L752 A755 A760 Q762 A768 V791	L752-I764 HydrophobicContact CD1-CD1 4.46Å; L752-I764 HydrophobicContact CD1-CG2 3.96Å; A755-I764 HydrophobicContact CB-CD1 3.64Å; A760-I764 WeakPolarHBondContact O-CB 3.38Å; A760-I764 WeakPolarHBondContact O-CD1 3.37Å; A760-I764 WeakPolarHBondContact O-CG1 3.3Å; A760-I764 PolarHBondContact O-N 2.92Å; Q762-I764 VanDerWaalsContact C-N 3.31Å; Q762-I764 PolarHBondContact O-N 2.93Å; I764-A768 VanDerWaalsContact O-CB 3.23Å; I764-A768 WeakPolarHBondContact O-CB 3.46Å; I764-A768 PolarHBondContact O-N 3.49Å; I764-V791 HydrophobicContact CG2-CG1 3.91Å
765	L	72.4	Confident	67.3	Low	63 Å²	63	60 Å²	60	33%	0.33	33%	0.325	S	S	.	.	H	α-helix	trans	-69.7	-41.7	176.3	-82.2	166.7	0	0	0	111.8	L709 N761 Q762 E763 A768 Y769 I785 L787	L709-L765 HydrophobicContact CD2-CD2 4.46Å; N761-L765 WeakPolarHBondContact O-CD1 3.22Å; N761-L765 VanDerWaalsContact O-CG 3.29Å; N761-L765 WeakPolarHBondContact O-CG 3.47Å; N761-L765 PolarHBondContact O-N 3.07Å; Q762-L765 WeakPolarHBondContact O-CB 3.34Å; Q762-L765 PolarHBondContact O-N 3.06Å; E763-L765 VanDerWaalsContact C-N 3.35Å; E763-L765 PolarHBondContact O-N 3.1Å; L765-A768 PolarHBondContact O-N 3.12Å; L765-Y769 WeakPolarHBondContact O-CB 3.46Å; L765-Y769 PolarHBondContact O-N 3.05Å; L765-I785 HydrophobicContact CD2-CD1 4.21Å; L765-L787 HydrophobicContact CD2-CD1 3.98Å; L765-L787 HydrophobicContact CD2-CD2 3.98Å
766	D	70.8	Confident	69.3	Low	96 Å²	96	60.6 Å²	60.6	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-41.4	177.8	-67.5	-31.4	0	0	0	111.3	Q762 E763 Y769 V770	Q762-D766 PolarHBondContact O-N 2.96Å; E763-D766 PolarHBondContact O-N 2.79Å; D766-Y769 WeakPolarHBondContact O-CB 3.29Å; D766-Y769 PolarHBondContact O-N 3.43Å; D766-V770 PolarHBondContact O-N 2.79Å; D766-V770 VanDerWaalsContact O-N 3.09Å
767	E	72.1	Confident	71.4	Confident	44 Å²	44	57.8 Å²	57.8	21%	0.206	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-42.2	172.2	-70.3	-170.6	159.9	0	0	112	E763 Y769 V770 M771	E763-E767 PolarHBondContact O-N 3.47Å; E767-Y769 VanDerWaalsContact C-N 3.29Å; E767-Y769 PolarHBondContact O-N 3.38Å; E767-V770 WeakPolarHBondContact O-CB 3.42Å; E767-V770 PolarHBondContact O-N 2.57Å; E767-M771 WeakPolarHBondContact O-CG 3.35Å; E767-M771 PolarHBondContact O-N 2.92Å
768	A	76.9	Confident	73.4	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-33.9	175.3	0	0	0	0	0	112.8	L709 I764 L765 M771 A772 L782 I785 L793	L709-A768 HydrophobicContact CD2-CB 4.31Å; I764-A768 VanDerWaalsContact O-CB 3.23Å; I764-A768 WeakPolarHBondContact O-CB 3.46Å; I764-A768 PolarHBondContact O-N 3.49Å; L765-A768 PolarHBondContact O-N 3.12Å; A768-M771 PolarHBondContact O-N 3.25Å; A768-A772 WeakPolarHBondContact O-CB 3.41Å; A768-A772 PolarHBondContact O-N 3.14Å; A768-L782 HydrophobicContact CB-CD2 3.95Å; A768-L782 WeakPolarHBondContact O-CD2 3.44Å; A768-I785 HydrophobicContact CB-CD1 3.77Å; A768-L793 HydrophobicContact CB-CD2 4.01Å
769	Y	76.7	Confident	75.2	Confident	66 Å²	66	51 Å²	51	26%	0.259	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-45.8	173.6	-172	-83.5	0	0	0	111.1	N705 A707 L709 L765 D766 E767 M771 A772 S773	N705-Y769 HydrophobicContact CB-CE1 4.35Å; N705-Y769 PolarHBondContact O-OH 3.29Å; A707-Y769 HydrophobicContact CB-CD1 4.13Å; A707-Y769 HydrophobicContact CB-CE1 3.65Å; A707-Y769 HydrophobicContact CB-CE2 4.25Å; A707-Y769 PolarHBondContact N-OH 2.83Å; A707-Y769 WeakPolarHBondContact O-CE2 3.29Å; A707-Y769 VanDerWaalsContact O-CZ 3.23Å; A707-Y769 PolarHBondContact O-OH 3.09Å; L709-Y769 HydrophobicContact CB-CD2 4.37Å; L765-Y769 WeakPolarHBondContact O-CB 3.46Å; L765-Y769 PolarHBondContact O-N 3.05Å; D766-Y769 WeakPolarHBondContact O-CB 3.29Å; D766-Y769 PolarHBondContact O-N 3.43Å; E767-Y769 VanDerWaalsContact C-N 3.29Å; E767-Y769 PolarHBondContact O-N 3.38Å; Y769-M771 PolarHBondContact O-N 2.96Å; Y769-A772 PolarHBondContact O-N 3.5Å; Y769-S773 PolarHBondContact O-N 2.74Å
770	V	75.1	Confident	76.9	Confident	23 Å²	23	44.1 Å²	44.1	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-47.2	171.5	170	0	0	0	0	110.9	D766 E767 A772 S773 L838	D766-V770 PolarHBondContact O-N 2.79Å; D766-V770 VanDerWaalsContact O-N 3.09Å; E767-V770 WeakPolarHBondContact O-CB 3.42Å; E767-V770 PolarHBondContact O-N 2.57Å; V770-A772 VanDerWaalsContact C-N 3.27Å; V770-A772 PolarHBondContact O-N 2.74Å; V770-S773 WeakPolarHBondContact O-CB 3.17Å; V770-S773 PolarHBondContact O-N 2.83Å; V770-S773 PolarHBondContact O-OG 3.25Å; V770-L838 HydrophobicContact CG1-CD1 3.6Å; V770-L838 HydrophobicContact CG1-CD2 3.55Å; V770-L838 HydrophobicContact CG1-CG 4.23Å
771	M	77.8	Confident	78.2	Confident	11 Å²	11	45.8 Å²	45.8	5%	0.054	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-28.1	176.9	-62.6	-179.9	83.6	0	0	114.3	E767 A768 Y769 L782 L793 F861 G862	E767-M771 WeakPolarHBondContact O-CG 3.35Å; E767-M771 PolarHBondContact O-N 2.92Å; A768-M771 PolarHBondContact O-N 3.25Å; Y769-M771 PolarHBondContact O-N 2.96Å; M771-L782 HydrophobicContact CB-CB 3.81Å; M771-L782 HydrophobicContact CB-CD2 4.23Å; M771-L782 PolarHBondContact O-N 2.68Å; M771-L793 HydrophobicContact SD-CD1 4.18Å; M771-F861 HydrophobicContact CB-CE2 4.2Å; M771-F861 HydrophobicContact CB-CZ 4.09Å; M771-F861 HydrophobicContact CG-CD2 4.48Å; M771-F861 HydrophobicContact CG-CE2 3.86Å; M771-F861 HydrophobicContact CG-CZ 4.02Å; M771-G862 WeakPolarHBondContact SD-CA 3.4Å
772	A	79	Confident	79.3	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-81.1	-19.7	174.6	0	0	0	0	0	113.1	L709 A768 Y769 V770 R781 L782	L709-A772 HydrophobicContact CB-CB 4.38Å; L709-A772 HydrophobicContact CD1-CB 3.73Å; A768-A772 WeakPolarHBondContact O-CB 3.41Å; A768-A772 PolarHBondContact O-N 3.14Å; Y769-A772 PolarHBondContact O-N 3.5Å; V770-A772 VanDerWaalsContact C-N 3.27Å; V770-A772 PolarHBondContact O-N 2.74Å; A772-R781 VanDerWaalsContact O-CZ 3.24Å; A772-R781 PolarHBondContact O-NE 2.8Å; A772-R781 PolarHBondContact O-NH2 2.79Å; A772-L782 HydrophobicContact CB-CB 4.36Å
773	S	76.3	Confident	80.2	Confident	40 Å²	40	38.6 Å²	38.6	28%	0.28	20%	0.196	S	C	.	.	H	α-helix	trans	-79.5	-27.2	-179.4	81.4	0	0	0	0	114.5	Y769 V770	Y769-S773 PolarHBondContact O-N 2.74Å; V770-S773 WeakPolarHBondContact O-CB 3.17Å; V770-S773 PolarHBondContact O-N 2.83Å; V770-S773 PolarHBondContact O-OG 3.25Å
774	V	79.8	Confident	81	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.177	C	C	.	.			trans	-71.8	131	-171	-61.5	0	0	0	0	112.7	V779 R781 Y832 L833 L838 F861	V774-V779 HydrophobicContact CB-CG1 4.44Å; V774-V779 HydrophobicContact CG2-CG1 3.88Å; V774-R781 HydrophobicContact CG2-CB 4.34Å; V774-R781 WeakPolarHBondContact O-CB 3.4Å; V774-R781 VanDerWaalsContact O-CD 3.31Å; V774-R781 WeakPolarHBondContact O-CD 3.07Å; V774-R781 VanDerWaalsContact O-CG 3.32Å; V774-R781 WeakPolarHBondContact O-CG 3.34Å; V774-Y832 HydrophobicContact CB-CE1 3.88Å; V774-Y832 HydrophobicContact CG1-CE1 3.97Å; V774-L833 HydrophobicContact CG1-CD2 4.43Å; V774-L838 HydrophobicContact CG1-CD1 4.11Å; V774-F861 HydrophobicContact CG1-CE2 4.05Å; V774-F861 HydrophobicContact CG1-CZ 4.27Å; V774-F861 HydrophobicContact CG2-CE1 4.4Å; V774-F861 HydrophobicContact CG2-CE2 4.18Å; V774-F861 HydrophobicContact CG2-CZ 3.56Å
775	E	82.7	Confident	81.8	Confident	95 Å²	95	32.9 Å²	32.9	44%	0.444	17%	0.168	S	C	.	.			trans	-133.6	71.8	-177.4	-161.2	162.5	154.9	0	0	111.1	R691 R781 Y832	R691-E775 IonicContact CZ-OE2 3.94Å; R691-E775 IonicContact NH2-OE2 3.72Å; R691-E775 PolarHBondContact NH2-OE2 2.83Å; E775-R781 IonicContact OE2-NH1 2.8Å; E775-R781 PolarHBondContact OE2-NH1 3.34Å; E775-R781 VanDerWaalsContact OE2-NH1 3.09Å; E775-Y832 PolarHBondContact N-OH 2.97Å
776	H	88.1	Confident	82.4	Confident	43 Å²	43	29.9 Å²	29.9	20%	0.199	15%	0.153	C	C	.	.			trans	-130.6	141	-179.2	-173.7	-115.3	0	0	0	112.8	H778 V779 K828 Y832 K857	H776-H778 AromaticContact CE1-CD2 3.93Å; H776-H778 PolarHBondContact ND1-N 3.07Å; H776-H778 PolarHBondContact O-N 3.49Å; H776-H778 VanDerWaalsContact O-N 3.12Å; H776-V779 HydrophobicContact CB-CB 4.33Å; H776-V779 HydrophobicContact CB-CG2 4.15Å; H776-V779 PolarHBondContact O-N 3.16Å; H776-K828 VanDerWaalsContact CE1-C 3.47Å; H776-K828 PolarHBondContact CE1-O 3.46Å; H776-Y832 HydrophobicContact CB-CD1 3.68Å; H776-Y832 HydrophobicContact CB-CD2 3.73Å; H776-Y832 HydrophobicContact CB-CE1 4.02Å; H776-Y832 HydrophobicContact CB-CE2 4.02Å; H776-Y832 HydrophobicContact CB-CG 3.57Å; H776-Y832 AromaticContact CD2-CD2 3.97Å; H776-Y832 AromaticContact CG-CD2 3.92Å; H776-Y832 AromaticContact CG-CG 3.65Å; H776-K857 PolarHBondContact O-NZ 2.86Å
777	P	89.5	Confident	82.8	Confident	74 Å²	74	29 Å²	29	48%	0.481	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.2	179.6	-30.9	38.5	0	0	0	115	H855 K857	P777-H855 PolarHBondContact O-NE2 3.26Å; P777-K857 VanDerWaalsContact O-CE 3.3Å; P777-K857 WeakPolarHBondContact O-CE 3.34Å; P777-K857 WeakPolarHBondContact O-CG 3.46Å; P777-K857 PolarHBondContact O-NZ 2.78Å
778	H	94.9	Very high	82.9	Confident	26 Å²	26	29.5 Å²	29.5	12%	0.12	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	17.7	-177.2	-57.5	-64.3	0	0	0	114.8	H776 Q825 H855 V856 K857 I858	H776-H778 AromaticContact CE1-CD2 3.93Å; H776-H778 PolarHBondContact ND1-N 3.07Å; H776-H778 PolarHBondContact O-N 3.49Å; H776-H778 VanDerWaalsContact O-N 3.12Å; H778-Q825 VanDerWaalsContact CB-O 3.3Å; H778-Q825 WeakPolarHBondContact CB-O 3.44Å; H778-Q825 VanDerWaalsContact CE1-CD 3.47Å; H778-Q825 VanDerWaalsContact CE1-CG 3.42Å; H778-Q825 WeakPolarHBondContact CE1-CG 3.39Å; H778-Q825 PolarHBondContact CE1-OE1 3.48Å; H778-Q825 PolarHBondContact ND1-OE1 3.2Å; H778-H855 AromaticContact CE1-CE1 3.87Å; H778-H855 AromaticContact CE1-NE2 3.7Å; H778-H855 AromaticContact ND1-NE2 3.6Å; H778-V856 PolarHBondContact ND1-O 2.87Å; H778-K857 CarbonylContact O-C 3.48Å; H778-K857 WeakPolarHBondContact O-CA 3.43Å; H778-I858 PolarHBondContact O-N 3.27Å
779	V	91.2	Very high	82.6	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-123.9	144.2	171.1	-176	0	0	0	0	110.6	V774 H776 R781 Y832 K857 I858 F861	V774-V779 HydrophobicContact CB-CG1 4.44Å; V774-V779 HydrophobicContact CG2-CG1 3.88Å; H776-V779 HydrophobicContact CB-CB 4.33Å; H776-V779 HydrophobicContact CB-CG2 4.15Å; H776-V779 PolarHBondContact O-N 3.16Å; V779-R781 PolarHBondContact O-N 3.42Å; V779-Y832 HydrophobicContact CG2-CD1 4.23Å; V779-K857 PolarHBondContact O-NZ 2.75Å; V779-I858 CarbonylContact C-O 3.57Å; V779-F861 HydrophobicContact CG1-CD1 4.02Å; V779-F861 HydrophobicContact CG1-CE1 3.53Å; V779-F861 HydrophobicContact CG1-CZ 3.96Å
780	C	88.4	Confident	82.6	Confident	6 Å²	6	34.6 Å²	34.6	4%	0.041	20%	0.197	C	C	.	.			trans	-84.7	104.1	177.1	-79	0	0	0	0	111.6	K857 I858 F861	C780-K857 VanDerWaalsContact SG-CB 3.55Å; C780-I858 VanDerWaalsContact CB-O 3.3Å; C780-I858 WeakPolarHBondContact CB-O 3.47Å; C780-I858 PolarHBondContact N-O 3.14Å; C780-F861 WeakPolarHBondContact O-CE1 3.11Å
781	R	85.5	Confident	82.9	Confident	61 Å²	61	34.1 Å²	34.1	23%	0.23	19%	0.194	C	C	.	.			trans	-71.9	141.9	173.6	-173.7	-177.9	170.8	162.7	-1.8	111.8	A772 V774 E775 V779	A772-R781 VanDerWaalsContact O-CZ 3.24Å; A772-R781 PolarHBondContact O-NE 2.8Å; A772-R781 PolarHBondContact O-NH2 2.79Å; V774-R781 HydrophobicContact CG2-CB 4.34Å; V774-R781 WeakPolarHBondContact O-CB 3.4Å; V774-R781 VanDerWaalsContact O-CD 3.31Å; V774-R781 WeakPolarHBondContact O-CD 3.07Å; V774-R781 VanDerWaalsContact O-CG 3.32Å; V774-R781 WeakPolarHBondContact O-CG 3.34Å; E775-R781 IonicContact OE2-NH1 2.8Å; E775-R781 PolarHBondContact OE2-NH1 3.34Å; E775-R781 VanDerWaalsContact OE2-NH1 3.09Å; V779-R781 PolarHBondContact O-N 3.42Å
782	L	86.2	Confident	83.3	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.7	168.8	-169.4	70.2	0	0	0	110.7	L709 A768 M771 A772 G784 L793 I794 T795	L709-L782 HydrophobicContact CD1-CD2 3.76Å; A768-L782 HydrophobicContact CB-CD2 3.95Å; A768-L782 WeakPolarHBondContact O-CD2 3.44Å; M771-L782 HydrophobicContact CB-CB 3.81Å; M771-L782 HydrophobicContact CB-CD2 4.23Å; M771-L782 PolarHBondContact O-N 2.68Å; A772-L782 HydrophobicContact CB-CB 4.36Å; L782-G784 WeakPolarHBondContact CD1-O 3.38Å; L782-L793 HydrophobicContact CD1-CB 3.81Å; L782-L793 HydrophobicContact CD1-CD2 4.11Å; L782-L793 HydrophobicContact CD2-CD2 4.07Å; L782-I794 WeakPolarHBondContact CD1-O 3.47Å; L782-T795 HydrophobicContact CD1-CG2 4.03Å
783	L	84.2	Confident	83.6	Confident	30 Å²	30	34 Å²	34	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-28	176.5	-60.4	-179.8	0	0	0	112.2	L688 V747 I794 Q796	L688-L783 HydrophobicContact CD2-CD1 4.01Å; L688-L783 HydrophobicContact CD2-CD2 3.87Å; V747-L783 HydrophobicContact CG1-CD1 4.21Å; L783-I794 WeakPolarHBondContact CA-O 3.34Å; L783-I794 WeakPolarHBondContact CB-O 3.41Å; L783-I794 PolarHBondContact N-O 3.15Å; L783-Q796 HydrophobicContact CD1-CB 4.19Å
784	G	84.4	Confident	84.2	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	175.2	174.5	0	0	0	0	0	113.2	R710 L782 I794	R710-G784 CarbonylContact O-C 3.29Å; R710-G784 WeakPolarHBondContact O-CA 3.07Å; L782-G784 WeakPolarHBondContact CD1-O 3.38Å; G784-I794 PolarHBondContact N-O 3.31Å; G784-I794 WeakPolarHBondContact O-CD1 3.44Å; G784-I794 PolarHBondContact O-N 3.28Å
785	I	85.9	Confident	84.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.1	179.2	-170.9	165	0	0	0	110	L709 R710 I711 L712 L765 A768 L787 V791 Q792 L793	L709-I785 HydrophobicContact CD1-CB 4.37Å; L709-I785 HydrophobicContact CD1-CG2 3.99Å; L709-I785 HydrophobicContact CD2-CG2 4Å; L709-I785 HydrophobicContact CG-CG2 3.91Å; R710-I785 PolarHBondContact O-N 3.43Å; I711-I785 CarbonylContact C-O 3.2Å; I711-I785 WeakPolarHBondContact CA-O 3.46Å; I711-I785 HydrophobicContact CG1-CG2 4.25Å; L712-I785 PolarHBondContact N-O 2.9Å; L765-I785 HydrophobicContact CD2-CD1 4.21Å; A768-I785 HydrophobicContact CB-CD1 3.77Å; I785-L787 HydrophobicContact CD1-CD2 3.74Å; I785-L787 HydrophobicContact CG1-CD2 3.9Å; I785-L787 HydrophobicContact CG1-CG 4.37Å; I785-L787 HydrophobicContact CG2-CG 4.46Å; I785-V791 HydrophobicContact CD1-CG1 3.79Å; I785-V791 HydrophobicContact CG1-CG1 4.02Å; I785-Q792 CarbonylContact C-O 2.91Å; I785-Q792 WeakPolarHBondContact CA-O 3.28Å; I785-L793 HydrophobicContact CD1-CD2 3.92Å; I785-L793 HydrophobicContact CG1-CD2 4.07Å
786	C	85.4	Confident	84.7	Confident	1 Å²	1	31 Å²	31	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.2	169	-175.4	0	0	0	0	109.3	L712 E714 F717 Q792 I794	L712-C786 PolarHBondContact O-SG 3.32Å; E714-C786 VanDerWaalsContact CG-SG 3.57Å; F717-C786 HydrophobicContact CE1-CB 3.7Å; F717-C786 HydrophobicContact CZ-CB 3.52Å; C786-Q792 HydrophobicContact CB-CB 3.97Å; C786-Q792 HydrophobicContact CB-CG 4Å; C786-Q792 PolarHBondContact N-O 3.05Å; C786-Q792 PolarHBondContact O-N 3.46Å; C786-I794 HydrophobicContact CB-CD1 4.16Å
787	L	78.6	Confident	84.6	Confident	78 Å²	78	30.6 Å²	30.6	41%	0.408	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	94	-178.5	-61.1	175	0	0	0	108.6	I711 L765 I785 V791	I711-L787 HydrophobicContact CD1-CD1 4.21Å; I711-L787 HydrophobicContact CG1-CD1 4.48Å; L765-L787 HydrophobicContact CD2-CD1 3.98Å; L765-L787 HydrophobicContact CD2-CD2 3.98Å; I785-L787 HydrophobicContact CD1-CD2 3.74Å; I785-L787 HydrophobicContact CG1-CD2 3.9Å; I785-L787 HydrophobicContact CG1-CG 4.37Å; I785-L787 HydrophobicContact CG2-CG 4.46Å; L787-V791 HydrophobicContact CD2-CG1 4.42Å; L787-V791 HydrophobicContact CD2-CG2 4.35Å
788	T	75.3	Confident	84.4	Confident	53 Å²	53	27.8 Å²	27.8	33%	0.325	16%	0.156	S	C	.	.	S	Bend	trans	-134.3	-169.5	-175.1	34.9	0	0	0	0	109.8	E714 T790 Q792	E714-T788 HydrophobicContact CG-CG2 3.86Å; T788-T790 CarbonylContact C-O 3.33Å; T788-T790 PolarHBondContact N-O 3.04Å; T788-T790 CarbonylContact O-C 3.58Å; T788-T790 PolarHBondContact O-N 3.02Å; T788-T790 PolarHBondContact OG1-O 2.9Å; T788-Q792 PolarHBondContact OG1-NE2 3.35Å
789	S	69.9	Low	83.7	Confident	128 Å²	128	27.7 Å²	27.7	90%	0.895	16%	0.158	S	C	*	.	S	Bend	trans	-52.6	-23.8	173.3	53.7	0	0	0	0	114.1
790	T	75.8	Confident	83.3	Confident	48 Å²	48	30.4 Å²	30.4	29%	0.294	17%	0.168	S	C	.	.	S	Bend	trans	-123.9	146.2	158.5	47	0	0	0	0	109.5	V751 T788 Q792	V751-T790 HydrophobicContact CG1-CG2 4.35Å; T788-T790 CarbonylContact C-O 3.33Å; T788-T790 PolarHBondContact N-O 3.04Å; T788-T790 CarbonylContact O-C 3.58Å; T788-T790 PolarHBondContact O-N 3.02Å; T788-T790 PolarHBondContact OG1-O 2.9Å; T790-Q792 WeakPolarHBondContact O-CG 3.42Å
791	V	81.3	Confident	83.3	Confident	12 Å²	12	31.9 Å²	31.9	7%	0.073	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.5	171.2	178.1	0	0	0	0	109.2	L752 I764 I785 L787	L752-V791 HydrophobicContact CD1-CB 4.19Å; L752-V791 HydrophobicContact CD1-CG1 4.06Å; L752-V791 PolarHBondContact N-O 2.74Å; I764-V791 HydrophobicContact CG2-CG1 3.91Å; I785-V791 HydrophobicContact CD1-CG1 3.79Å; I785-V791 HydrophobicContact CG1-CG1 4.02Å; L787-V791 HydrophobicContact CD2-CG1 4.42Å; L787-V791 HydrophobicContact CD2-CG2 4.35Å
792	Q	86.6	Confident	83.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.6	-177.1	-26.1	-176.5	30.3	0	0	109.4	E714 I749 K750 V751 I785 C786 T788 T790 I794	E714-Q792 PolarHBondContact OE1-NE2 3.38Å; I749-Q792 HydrophobicContact CG2-CB 4.08Å; K750-Q792 CarbonylContact O-C 3.46Å; K750-Q792 WeakPolarHBondContact O-CA 3.24Å; V751-Q792 HydrophobicContact CG2-CB 4.41Å; V751-Q792 HydrophobicContact CG2-CG 4.36Å; I785-Q792 CarbonylContact C-O 2.91Å; I785-Q792 WeakPolarHBondContact CA-O 3.28Å; C786-Q792 HydrophobicContact CB-CB 3.97Å; C786-Q792 HydrophobicContact CB-CG 4Å; C786-Q792 PolarHBondContact N-O 3.05Å; C786-Q792 PolarHBondContact O-N 3.46Å; T788-Q792 PolarHBondContact OG1-NE2 3.35Å; T790-Q792 WeakPolarHBondContact O-CG 3.42Å; Q792-I794 WeakPolarHBondContact O-CD1 3.39Å
793	L	86.1	Confident	83.9	Confident	11 Å²	11	29.5 Å²	29.5	6%	0.058	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.1	179.8	-62.1	175.1	0	0	0	109.9	I749 K750 L752 A768 M771 L782 I785	I749-L793 CarbonylContact C-O 3.51Å; I749-L793 WeakPolarHBondContact CA-O 3.42Å; K750-L793 HydrophobicContact CB-CB 4.38Å; K750-L793 PolarHBondContact N-O 2.91Å; K750-L793 PolarHBondContact O-N 2.94Å; L752-L793 HydrophobicContact CD1-CD1 4.33Å; L752-L793 HydrophobicContact CD2-CD1 4.25Å; A768-L793 HydrophobicContact CB-CD2 4.01Å; M771-L793 HydrophobicContact SD-CD1 4.18Å; L782-L793 HydrophobicContact CD1-CB 3.81Å; L782-L793 HydrophobicContact CD1-CD2 4.11Å; L782-L793 HydrophobicContact CD2-CD2 4.07Å; I785-L793 HydrophobicContact CD1-CD2 3.92Å; I785-L793 HydrophobicContact CG1-CD2 4.07Å
794	I	87.8	Confident	84.3	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.4	-173.6	-60.2	83.8	0	0	0	110	L712 F717 V747 A748 I749 L782 L783 G784 C786 Q792	L712-I794 HydrophobicContact CD1-CB 4.05Å; L712-I794 HydrophobicContact CD1-CD1 4.03Å; L712-I794 HydrophobicContact CD1-CG1 3.93Å; L712-I794 HydrophobicContact CD1-CG2 4.14Å; F717-I794 HydrophobicContact CE1-CD1 4.45Å; V747-I794 HydrophobicContact CB-CG2 3.81Å; V747-I794 HydrophobicContact CG1-CG2 3.81Å; V747-I794 HydrophobicContact CG2-CG2 4.17Å; A748-I794 WeakPolarHBondContact O-CA 3.42Å; I749-I794 HydrophobicContact CG1-CG1 4.29Å; I749-I794 HydrophobicContact CG2-CG1 4.46Å; L782-I794 WeakPolarHBondContact CD1-O 3.47Å; L783-I794 WeakPolarHBondContact CA-O 3.34Å; L783-I794 WeakPolarHBondContact CB-O 3.41Å; L783-I794 PolarHBondContact N-O 3.15Å; G784-I794 PolarHBondContact N-O 3.31Å; G784-I794 WeakPolarHBondContact O-CD1 3.44Å; G784-I794 PolarHBondContact O-N 3.28Å; C786-I794 HydrophobicContact CB-CD1 4.16Å; Q792-I794 WeakPolarHBondContact O-CD1 3.39Å
795	T	88	Confident	84.5	Confident	19 Å²	19	33.4 Å²	33.4	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	167.3	177.3	62.4	0	0	0	0	111.6	V747 A748 L782 L797	V747-T795 CarbonylContact C-O 3.59Å; V747-T795 VanDerWaalsContact CA-O 3.28Å; V747-T795 WeakPolarHBondContact CA-O 3.44Å; V747-T795 WeakPolarHBondContact CB-O 3.4Å; A748-T795 PolarHBondContact N-O 2.89Å; A748-T795 PolarHBondContact O-N 3.04Å; L782-T795 HydrophobicContact CD1-CG2 4.03Å; T795-L797 PolarHBondContact O-N 3.24Å
796	Q	85.9	Confident	84.8	Confident	56 Å²	56	34 Å²	34	26%	0.262	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.6	173.2	172	162.6	92.1	0	0	110.7	L688 L783 M798	L688-Q796 VanDerWaalsContact CD1-NE2 3.31Å; L783-Q796 HydrophobicContact CD1-CB 4.19Å; Q796-M798 HydrophobicContact CB-CE 3.95Å; Q796-M798 HydrophobicContact CG-CE 3.81Å; Q796-M798 PolarHBondContact O-N 3.29Å
797	L	85.2	Confident	85.2	Confident	33 Å²	33	34 Å²	34	17%	0.173	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-66.3	122.4	174.5	-174.8	68.4	0	0	0	110.9	L723 K733 P746 A748 T795	L723-L797 HydrophobicContact CD1-CD1 3.64Å; K733-L797 HydrophobicContact CD-CD2 4.37Å; K733-L797 HydrophobicContact CG-CD2 4Å; P746-L797 HydrophobicContact CB-CB 4.2Å; P746-L797 HydrophobicContact CB-CD2 4.04Å; P746-L797 PolarHBondContact O-N 2.96Å; A748-L797 HydrophobicContact CB-CD1 4.26Å; T795-L797 PolarHBondContact O-N 3.24Å
798	M	86.9	Confident	85.8	Confident	15 Å²	15	34.7 Å²	34.7	7%	0.074	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-89.6	126.7	171	-60.3	-58.4	154.1	0	0	109.6	Q796 Y800 L849 K851 K857	Q796-M798 HydrophobicContact CB-CE 3.95Å; Q796-M798 HydrophobicContact CG-CE 3.81Å; Q796-M798 PolarHBondContact O-N 3.29Å; M798-Y800 PolarHBondContact O-N 2.68Å; M798-L849 HydrophobicContact CB-CB 3.85Å; M798-L849 HydrophobicContact CB-CD1 4.21Å; M798-L849 HydrophobicContact CG-CB 3.68Å; M798-L849 HydrophobicContact CG-CD1 3.8Å; M798-L849 HydrophobicContact CG-CG 4.41Å; M798-K851 HydrophobicContact SD-CB 3.8Å; M798-K851 HydrophobicContact SD-CD 4.32Å; M798-K851 HydrophobicContact SD-CG 3.89Å; M798-K857 HydrophobicContact CE-CD 3.75Å; M798-K857 HydrophobicContact SD-CD 4.4Å
799	P	79.2	Confident	86.4	Confident	25 Å²	25	38.5 Å²	38.5	16%	0.162	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.1	-163.4	29.7	-35.7	0	0	0	115.3	F1002 L1006	P799-F1002 HydrophobicContact CB-CE1 4.37Å; P799-F1002 WeakPolarHBondContact O-CE1 3.36Å; P799-F1002 WeakPolarHBondContact O-CZ 3.06Å; P799-L1006 HydrophobicContact CB-CD1 4.23Å
800	Y	83.8	Confident	87.3	Confident	58 Å²	58	35.5 Å²	35.5	23%	0.227	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	16.6	-178.2	-61.3	-82.2	0	0	0	113.5	M798 Y806 V850 F1002	M798-Y800 PolarHBondContact O-N 2.68Å; Y800-Y806 AromaticContact CD1-CE2 3.96Å; Y800-Y806 HydrophobicContact CD1-CE2 3.96Å; Y800-Y806 HydrophobicContact CG-CE2 4.24Å; Y800-V850 HydrophobicContact CD2-CG1 4.24Å; Y800-V850 HydrophobicContact CG-CG1 4.22Å; Y800-V850 PolarHBondContact N-O 3.26Å; Y800-F1002 AromaticContact CD1-CE1 3.93Å; Y800-F1002 HydrophobicContact CD1-CE1 3.93Å; Y800-F1002 HydrophobicContact CD1-CZ 4.22Å; Y800-F1002 HydrophobicContact CE1-CD1 4.1Å; Y800-F1002 AromaticContact CE1-CE1 3.76Å; Y800-F1002 HydrophobicContact CE1-CE1 3.76Å; Y800-F1002 HydrophobicContact CE1-CZ 4.33Å
801	G	87.3	Confident	87.8	Confident	37 Å²	37	38.2 Å²	38.2	38%	0.381	19%	0.192	S	C	.	.			trans	70.6	-151	177.4	0	0	0	0	0	113.9	L849 V850	G801-L849 WeakPolarHBondContact O-CA 3.36Å; G801-V850 PolarHBondContact O-N 3.1Å
802	C	89.5	Confident	88	Confident	15 Å²	15	43.7 Å²	43.7	10%	0.101	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-87	159.5	174.9	87.5	0	0	0	0	112.3	D805 Y806 R846 V848 L849	C802-D805 PolarHBondContact SG-N 2.67Å; C802-D805 PolarHBondContact SG-OD2 3.15Å; C802-Y806 WeakPolarHBondContact O-CB 3.31Å; C802-Y806 PolarHBondContact O-N 3.42Å; C802-Y806 VanDerWaalsContact O-N 3.13Å; C802-R846 WeakPolarHBondContact CB-O 3Å; C802-V848 CarbonylContact C-O 3.45Å; C802-V848 WeakPolarHBondContact CA-O 3.05Å; C802-L849 HydrophobicContact CB-CD2 4.15Å
803	L	94.4	Very high	87.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.6	-32.8	-176.5	-175.9	58	0	0	0	111.5	D805 Y806 V807 W822 I826 A845 V848 V850 V856 L912	L803-D805 PolarHBondContact O-N 2.8Å; L803-Y806 HydrophobicContact CD1-CD1 4.46Å; L803-Y806 PolarHBondContact O-N 3.04Å; L803-V807 HydrophobicContact CD1-CG1 3.93Å; L803-V807 HydrophobicContact CG-CG1 4.31Å; L803-V807 WeakPolarHBondContact O-CG1 3.23Å; L803-V807 WeakPolarHBondContact O-CG2 3.4Å; L803-V807 PolarHBondContact O-N 2.84Å; L803-W822 HydrophobicContact CD1-CD2 3.98Å; L803-W822 HydrophobicContact CD1-CE3 3.85Å; L803-W822 HydrophobicContact CD1-CH2 4.37Å; L803-W822 HydrophobicContact CD1-CZ2 4.5Å; L803-W822 HydrophobicContact CD1-CZ3 4.06Å; L803-W822 HydrophobicContact CD2-CB 4.34Å; L803-I826 HydrophobicContact CD2-CD1 4.16Å; L803-A845 PolarHBondContact N-O 3.46Å; L803-V848 HydrophobicContact CB-CB 4.03Å; L803-V848 HydrophobicContact CB-CG1 4.09Å; L803-V848 WeakPolarHBondContact CB-O 3.3Å; L803-V848 HydrophobicContact CD2-CB 4.18Å; L803-V848 HydrophobicContact CD2-CG1 3.72Å; L803-V848 PolarHBondContact N-O 3.43Å; L803-V850 HydrophobicContact CB-CG2 3.95Å; L803-V850 HydrophobicContact CD1-CG2 3.71Å; L803-V850 HydrophobicContact CG-CG2 4.43Å; L803-V856 HydrophobicContact CD1-CG1 4.3Å; L803-V856 HydrophobicContact CD2-CG1 4.22Å; L803-L912 HydrophobicContact CD1-CD2 4.41Å; L803-L912 HydrophobicContact CD2-CD1 4.32Å; L803-L912 HydrophobicContact CD2-CD2 3.52Å; L803-L912 HydrophobicContact CG-CD2 3.65Å
804	L	92.7	Very high	88.1	Confident	21 Å²	21	47 Å²	47	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-47.9	174.5	178.8	61.6	0	0	0	112.3	V807 K808 A845 R846 G916	L804-V807 WeakPolarHBondContact O-CG2 3.46Å; L804-K808 WeakPolarHBondContact O-CG 3.44Å; L804-K808 PolarHBondContact O-N 2.74Å; L804-A845 HydrophobicContact CB-CB 3.84Å; L804-A845 HydrophobicContact CD1-CB 4.28Å; L804-A845 PolarHBondContact N-O 3.49Å; L804-A845 VanDerWaalsContact N-O 3.1Å; L804-R846 HydrophobicContact CD2-CB 4.23Å; L804-G916 VanDerWaalsContact CD1-CA 3.42Å
805	D	89.9	Confident	88.2	Confident	92 Å²	92	47.1 Å²	47.1	49%	0.492	24%	0.241	S	C	.	.	H	α-helix	trans	-70.7	-39.3	178.3	-56	-35.4	0	0	0	110.7	C802 L803 V807 K808 E809	C802-D805 PolarHBondContact SG-N 2.67Å; C802-D805 PolarHBondContact SG-OD2 3.15Å; L803-D805 PolarHBondContact O-N 2.8Å; D805-V807 PolarHBondContact O-N 2.94Å; D805-K808 PolarHBondContact O-N 2.9Å; D805-E809 WeakPolarHBondContact O-CB 3.42Å; D805-E809 PolarHBondContact O-N 2.95Å
806	Y	91.4	Very high	88.4	Confident	13 Å²	13	46.3 Å²	46.3	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-41.6	179	-167.1	-96.9	0	0	0	113	Y800 C802 L803 K810 W822 V850 L994	Y800-Y806 AromaticContact CD1-CE2 3.96Å; Y800-Y806 HydrophobicContact CD1-CE2 3.96Å; Y800-Y806 HydrophobicContact CG-CE2 4.24Å; C802-Y806 WeakPolarHBondContact O-CB 3.31Å; C802-Y806 PolarHBondContact O-N 3.42Å; C802-Y806 VanDerWaalsContact O-N 3.13Å; L803-Y806 HydrophobicContact CD1-CD1 4.46Å; L803-Y806 PolarHBondContact O-N 3.04Å; Y806-K810 HydrophobicContact CD2-CG 4.44Å; Y806-K810 HydrophobicContact CE1-CG 4.48Å; Y806-K810 HydrophobicContact CE2-CG 4.14Å; Y806-K810 WeakPolarHBondContact O-CB 3.47Å; Y806-K810 PolarHBondContact O-N 3.15Å; Y806-W822 HydrophobicContact CD1-CH2 4.07Å; Y806-W822 HydrophobicContact CD1-CZ2 4.35Å; Y806-W822 AromaticContact CE1-CH2 3.97Å; Y806-W822 HydrophobicContact CE1-CH2 3.97Å; Y806-W822 HydrophobicContact CE1-CZ2 4.04Å; Y806-V850 HydrophobicContact CD1-CG1 4.48Å; Y806-V850 HydrophobicContact CD1-CG2 4.3Å; Y806-V850 HydrophobicContact CD2-CG1 4.34Å; Y806-V850 HydrophobicContact CE2-CG1 4.39Å; Y806-V850 HydrophobicContact CG-CG1 4.39Å; Y806-V850 HydrophobicContact CG-CG2 4.03Å; Y806-L994 HydrophobicContact CE1-CD1 4.1Å
807	V	92.9	Very high	88.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.5	-29.2	177.1	-60.8	0	0	0	0	113.1	L803 L804 D805 K811 I814 W822 L912	L803-V807 HydrophobicContact CD1-CG1 3.93Å; L803-V807 HydrophobicContact CG-CG1 4.31Å; L803-V807 WeakPolarHBondContact O-CG1 3.23Å; L803-V807 WeakPolarHBondContact O-CG2 3.4Å; L803-V807 PolarHBondContact O-N 2.84Å; L804-V807 WeakPolarHBondContact O-CG2 3.46Å; D805-V807 PolarHBondContact O-N 2.94Å; V807-K811 WeakPolarHBondContact O-CA 3.39Å; V807-K811 PolarHBondContact O-N 3.36Å; V807-I814 HydrophobicContact CB-CD1 4.25Å; V807-I814 HydrophobicContact CG1-CD1 4.19Å; V807-W822 HydrophobicContact CG1-CE3 4.36Å; V807-W822 HydrophobicContact CG1-CZ3 3.76Å; V807-L912 HydrophobicContact CG1-CD2 4.01Å
808	K	91.3	Very high	89	Confident	93 Å²	93	47 Å²	47	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-69.3	-52.3	171.6	-70.3	169.1	-179.2	174.4	0	111.1	L804 D805 K810 F915 G916	L804-K808 WeakPolarHBondContact O-CG 3.44Å; L804-K808 PolarHBondContact O-N 2.74Å; D805-K808 PolarHBondContact O-N 2.9Å; K808-K810 VanDerWaalsContact C-N 3.34Å; K808-K810 PolarHBondContact O-N 3.39Å; K808-F915 WeakPolarHBondContact CG-O 3.5Å; K808-G916 WeakPolarHBondContact CE-O 3.48Å
809	E	89.6	Confident	89.4	Confident	133 Å²	133	46.3 Å²	46.3	62%	0.621	24%	0.235	S	C	*	.	H	α-helix	trans	-68.1	-31.5	-174.2	-157.8	-134.5	148.5	0	0	112.7	D805	D805-E809 WeakPolarHBondContact O-CB 3.42Å; D805-E809 PolarHBondContact O-N 2.95Å
810	K	88.2	Confident	90.3	Very high	65 Å²	65	45.1 Å²	45.1	28%	0.283	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	12.1	-175.3	-56.1	-53.5	-177.7	-158	0	114.8	Y806 K808 D812 N813 I814 L994	Y806-K810 HydrophobicContact CD2-CG 4.44Å; Y806-K810 HydrophobicContact CE1-CG 4.48Å; Y806-K810 HydrophobicContact CE2-CG 4.14Å; Y806-K810 WeakPolarHBondContact O-CB 3.47Å; Y806-K810 PolarHBondContact O-N 3.15Å; K808-K810 VanDerWaalsContact C-N 3.34Å; K808-K810 PolarHBondContact O-N 3.39Å; K810-D812 VanDerWaalsContact C-N 3.31Å; K810-D812 PolarHBondContact O-N 2.95Å; K810-D812 VanDerWaalsContact O-N 3.08Å; K810-N813 WeakPolarHBondContact O-CA 3.26Å; K810-N813 PolarHBondContact O-N 3.49Å; K810-I814 HydrophobicContact CB-CD1 3.86Å; K810-I814 HydrophobicContact CB-CG1 4.12Å; K810-I814 WeakPolarHBondContact O-CG1 3.09Å; K810-I814 PolarHBondContact O-N 3.44Å; K810-L994 HydrophobicContact CB-CD2 4.48Å
811	K	86.8	Confident	90.8	Very high	104 Å²	104	45.2 Å²	45.2	45%	0.452	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-35.7	-55.7	-177.8	177.7	169.7	-178.6	177.4	0	114.3	V807 N813 I814 F915	V807-K811 WeakPolarHBondContact O-CA 3.39Å; V807-K811 PolarHBondContact O-N 3.36Å; K811-N813 PolarHBondContact O-N 3Å; K811-I814 PolarHBondContact O-N 2.89Å; K811-F915 HydrophobicContact CB-CB 4.43Å; K811-F915 HydrophobicContact CB-CD1 4.11Å; K811-F915 HydrophobicContact CB-CG 4.38Å; K811-F915 HydrophobicContact CD-CB 3.9Å; K811-F915 HydrophobicContact CD-CD2 4.3Å; K811-F915 HydrophobicContact CD-CG 4.02Å; K811-F915 HydrophobicContact CG-CB 4.02Å; K811-F915 HydrophobicContact CG-CD1 3.76Å; K811-F915 HydrophobicContact CG-CD2 4.16Å; K811-F915 HydrophobicContact CG-CE1 4.21Å; K811-F915 HydrophobicContact CG-CG 3.72Å
812	D	84	Confident	91.3	Very high	127 Å²	127	43.5 Å²	43.5	68%	0.679	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-72.8	-0.2	-174	-48.5	-46.3	0	0	0	114.6	K810	K810-D812 VanDerWaalsContact C-N 3.31Å; K810-D812 PolarHBondContact O-N 2.95Å; K810-D812 VanDerWaalsContact O-N 3.08Å
813	N	85.4	Confident	91.8	Very high	81 Å²	81	42.8 Å²	42.8	43%	0.433	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-121.6	1.8	-179.4	-59.9	-96.4	0	0	0	112.8	K810 K811 L994	K810-N813 WeakPolarHBondContact O-CA 3.26Å; K810-N813 PolarHBondContact O-N 3.49Å; K811-N813 PolarHBondContact O-N 3Å; N813-L994 HydrophobicContact CB-CD2 3.9Å; N813-L994 WeakPolarHBondContact O-CD2 3.32Å
814	I	89.6	Confident	91.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.			trans	-101.3	101.3	-176.5	-67.4	166.4	0	0	0	109.5	V807 K810 K811 H818 L819 W822 F915 L994	V807-I814 HydrophobicContact CB-CD1 4.25Å; V807-I814 HydrophobicContact CG1-CD1 4.19Å; K810-I814 HydrophobicContact CB-CD1 3.86Å; K810-I814 HydrophobicContact CB-CG1 4.12Å; K810-I814 WeakPolarHBondContact O-CG1 3.09Å; K810-I814 PolarHBondContact O-N 3.44Å; K811-I814 PolarHBondContact O-N 2.89Å; I814-H818 HydrophobicContact CG2-CB 4.19Å; I814-L819 HydrophobicContact CG2-CD1 4.48Å; I814-L819 HydrophobicContact CG2-CD2 3.84Å; I814-L819 HydrophobicContact CG2-CG 3.82Å; I814-W822 HydrophobicContact CD1-CH2 3.91Å; I814-W822 HydrophobicContact CD1-CZ3 4.15Å; I814-W822 HydrophobicContact CG1-CH2 4.02Å; I814-W822 HydrophobicContact CG1-CZ3 4.49Å; I814-W822 HydrophobicContact CG2-CH2 3.88Å; I814-W822 HydrophobicContact CG2-CZ3 3.72Å; I814-F915 HydrophobicContact CB-CE1 4.14Å; I814-F915 HydrophobicContact CG2-CE1 4.21Å; I814-L994 HydrophobicContact CG1-CD1 4.23Å; I814-L994 HydrophobicContact CG1-CD2 4.23Å
815	G	89.9	Confident	92.2	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	21%	0.21	C	C	.	.			trans	-74.6	162.9	172.8	0	0	0	0	0	113.9	Q817 H818 D989	G815-Q817 PolarHBondContact O-N 3.31Å; G815-H818 WeakPolarHBondContact O-CB 3.49Å; G815-H818 PolarHBondContact O-N 3.38Å; G815-D989 WeakPolarHBondContact CA-OD1 3.25Å
816	S	92.3	Very high	92.6	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-52.7	-41	-176.1	62.5	0	0	0	0	112.9	H818 L819 L820 P980 D989	S816-H818 PolarHBondContact O-N 3.01Å; S816-L819 PolarHBondContact O-N 3.3Å; S816-L820 PolarHBondContact O-N 2.76Å; S816-L820 VanDerWaalsContact O-N 3.1Å; S816-P980 WeakPolarHBondContact OG-CB 3.42Å; S816-D989 VanDerWaalsContact CB-OD2 3.3Å; S816-D989 WeakPolarHBondContact CB-OD2 3.23Å; S816-D989 PolarHBondContact N-OD1 3.44Å; S816-D989 PolarHBondContact OG-OD1 2.89Å; S816-D989 PolarHBondContact OG-OD2 3.13Å
817	Q	92.2	Very high	92.9	Very high	82 Å²	82	38.2 Å²	38.2	38%	0.383	19%	0.185	S	C	.	.	H	α-helix	trans	-59	-33.1	179	-178.1	69.5	102.1	0	0	112.3	G815 N821 A977 P980	G815-Q817 PolarHBondContact O-N 3.31Å; Q817-N821 PolarHBondContact NE2-ND2 3.25Å; Q817-N821 VanDerWaalsContact O-CB 3.24Å; Q817-N821 WeakPolarHBondContact O-CB 3.37Å; Q817-N821 VanDerWaalsContact O-CG 3.26Å; Q817-N821 PolarHBondContact O-N 3.01Å; Q817-N821 PolarHBondContact O-ND2 2.81Å; Q817-A977 PolarHBondContact NE2-O 2.97Å; Q817-P980 HydrophobicContact CB-CB 4.39Å; Q817-P980 HydrophobicContact CB-CG 4.02Å; Q817-P980 HydrophobicContact CG-CG 4.4Å
818	H	92.8	Very high	93.1	Very high	22 Å²	22	42.2 Å²	42.2	10%	0.102	20%	0.202	C	C	.	.	H	α-helix	trans	-73.9	-46	176.9	-81.5	-90.5	0	0	0	111.5	I814 G815 S816 N821 W822 P853 H854	I814-H818 HydrophobicContact CG2-CB 4.19Å; G815-H818 WeakPolarHBondContact O-CB 3.49Å; G815-H818 PolarHBondContact O-N 3.38Å; S816-H818 PolarHBondContact O-N 3.01Å; H818-N821 PolarHBondContact O-N 3.39Å; H818-W822 HydrophobicContact CB-CH2 4.08Å; H818-W822 HydrophobicContact CB-CZ2 4.01Å; H818-W822 HydrophobicContact CB-CZ3 4.38Å; H818-W822 VanDerWaalsContact O-CD2 3.32Å; H818-W822 VanDerWaalsContact O-CG 3.28Å; H818-W822 PolarHBondContact O-N 2.88Å; H818-P853 PolarHBondContact ND1-O 3.18Å; H818-H854 AromaticContact CE1-CE1 3.45Å; H818-H854 PolarHBondContact CE1-CE1 3.27Å; H818-H854 VanDerWaalsContact CE1-CE1 3.45Å; H818-H854 AromaticContact CE1-ND1 3.41Å; H818-H854 PolarHBondContact CE1-ND1 2.03Å; H818-H854 AromaticContact NE2-CE1 3.93Å
819	L	95.4	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.8	-53.7	178.7	-65.4	170.7	0	0	0	111.4	I814 S816 N821 W822 C823 L912 M913 F915 I943 L984 I986	I814-L819 HydrophobicContact CG2-CD1 4.48Å; I814-L819 HydrophobicContact CG2-CD2 3.84Å; I814-L819 HydrophobicContact CG2-CG 3.82Å; S816-L819 PolarHBondContact O-N 3.3Å; L819-N821 VanDerWaalsContact C-N 3.32Å; L819-N821 PolarHBondContact O-N 2.85Å; L819-W822 HydrophobicContact CD2-CE3 4.1Å; L819-W822 HydrophobicContact CD2-CZ3 3.99Å; L819-W822 PolarHBondContact O-N 2.88Å; L819-W822 VanDerWaalsContact O-N 3.14Å; L819-C823 PolarHBondContact O-N 3.4Å; L819-C823 PolarHBondContact O-SG 3.31Å; L819-L912 HydrophobicContact CD2-CB 4.32Å; L819-M913 HydrophobicContact CB-CE 4.23Å; L819-M913 HydrophobicContact CB-SD 4.05Å; L819-M913 HydrophobicContact CD1-SD 4.08Å; L819-F915 HydrophobicContact CD1-CE1 4.28Å; L819-F915 HydrophobicContact CD1-CZ 4.13Å; L819-I943 HydrophobicContact CD1-CD1 3.73Å; L819-L984 HydrophobicContact CB-CD1 3.96Å; L819-L984 HydrophobicContact CD1-CD1 4.06Å; L819-I986 HydrophobicContact CD1-CD1 4Å
820	L	96.3	Very high	93.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-37.1	179.3	-64.1	173.7	0	0	0	112.3	S816 W822 C823 V824 M913 F973 M976 A977 P980 L984	S816-L820 PolarHBondContact O-N 2.76Å; S816-L820 VanDerWaalsContact O-N 3.1Å; L820-W822 PolarHBondContact O-N 2.87Å; L820-C823 WeakPolarHBondContact O-CB 3.15Å; L820-C823 PolarHBondContact O-N 3.28Å; L820-V824 WeakPolarHBondContact O-CG2 3.14Å; L820-V824 PolarHBondContact O-N 3.16Å; L820-M913 HydrophobicContact CD2-CE 3.97Å; L820-F973 HydrophobicContact CD2-CD1 4.08Å; L820-F973 HydrophobicContact CD2-CE1 4.38Å; L820-M976 HydrophobicContact CD1-CB 4.19Å; L820-M976 HydrophobicContact CD2-CB 4.27Å; L820-A977 HydrophobicContact CB-CB 4Å; L820-P980 HydrophobicContact CD1-CB 3.89Å; L820-P980 HydrophobicContact CD1-CG 4.37Å; L820-L984 HydrophobicContact CD1-CD1 4.28Å; L820-L984 HydrophobicContact CD1-CG 4.45Å; L820-L984 HydrophobicContact CD2-CD1 4.01Å; L820-L984 HydrophobicContact CD2-CG 4.31Å; L820-L984 HydrophobicContact CG-CD1 3.77Å; L820-L984 HydrophobicContact CG-CG 4.33Å
821	N	96.2	Very high	94.2	Very high	60 Å²	60	29.3 Å²	29.3	32%	0.321	15%	0.145	S	C	.	.	H	α-helix	trans	-66.3	-34.9	175.1	-85.1	-45.2	0	0	0	112.7	Q817 H818 L819 Q825	Q817-N821 PolarHBondContact NE2-ND2 3.25Å; Q817-N821 VanDerWaalsContact O-CB 3.24Å; Q817-N821 WeakPolarHBondContact O-CB 3.37Å; Q817-N821 VanDerWaalsContact O-CG 3.26Å; Q817-N821 PolarHBondContact O-N 3.01Å; Q817-N821 PolarHBondContact O-ND2 2.81Å; H818-N821 PolarHBondContact O-N 3.39Å; L819-N821 VanDerWaalsContact C-N 3.32Å; L819-N821 PolarHBondContact O-N 2.85Å; N821-Q825 VanDerWaalsContact O-CG 3.26Å; N821-Q825 WeakPolarHBondContact O-CG 3.49Å; N821-Q825 PolarHBondContact O-N 2.87Å
822	W	97.8	Very high	94.5	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-69.1	-39.8	174	-61.9	-31	0	0	0	111.5	L803 Y806 V807 I814 H818 L819 L820 V824 Q825 I826 P853 V856 L912 L994	L803-W822 HydrophobicContact CD1-CD2 3.98Å; L803-W822 HydrophobicContact CD1-CE3 3.85Å; L803-W822 HydrophobicContact CD1-CH2 4.37Å; L803-W822 HydrophobicContact CD1-CZ2 4.5Å; L803-W822 HydrophobicContact CD1-CZ3 4.06Å; L803-W822 HydrophobicContact CD2-CB 4.34Å; Y806-W822 HydrophobicContact CD1-CH2 4.07Å; Y806-W822 HydrophobicContact CD1-CZ2 4.35Å; Y806-W822 AromaticContact CE1-CH2 3.97Å; Y806-W822 HydrophobicContact CE1-CH2 3.97Å; Y806-W822 HydrophobicContact CE1-CZ2 4.04Å; V807-W822 HydrophobicContact CG1-CE3 4.36Å; V807-W822 HydrophobicContact CG1-CZ3 3.76Å; I814-W822 HydrophobicContact CD1-CH2 3.91Å; I814-W822 HydrophobicContact CD1-CZ3 4.15Å; I814-W822 HydrophobicContact CG1-CH2 4.02Å; I814-W822 HydrophobicContact CG1-CZ3 4.49Å; I814-W822 HydrophobicContact CG2-CH2 3.88Å; I814-W822 HydrophobicContact CG2-CZ3 3.72Å; H818-W822 HydrophobicContact CB-CH2 4.08Å; H818-W822 HydrophobicContact CB-CZ2 4.01Å; H818-W822 HydrophobicContact CB-CZ3 4.38Å; H818-W822 VanDerWaalsContact O-CD2 3.32Å; H818-W822 VanDerWaalsContact O-CG 3.28Å; H818-W822 PolarHBondContact O-N 2.88Å; L819-W822 HydrophobicContact CD2-CE3 4.1Å; L819-W822 HydrophobicContact CD2-CZ3 3.99Å; L819-W822 PolarHBondContact O-N 2.88Å; L819-W822 VanDerWaalsContact O-N 3.14Å; L820-W822 PolarHBondContact O-N 2.87Å; W822-V824 PolarHBondContact O-N 2.9Å; W822-Q825 PolarHBondContact O-N 2.96Å; W822-Q825 VanDerWaalsContact O-N 3.15Å; W822-I826 VanDerWaalsContact O-CG1 3.29Å; W822-I826 WeakPolarHBondContact O-CG1 3.19Å; W822-I826 PolarHBondContact O-N 3.19Å; W822-P853 PolarHBondContact NE1-O 3.1Å; W822-P853 VanDerWaalsContact NE1-O 3.1Å; W822-V856 HydrophobicContact CB-CG2 4.39Å; W822-V856 HydrophobicContact CG-CG1 4.06Å; W822-L912 HydrophobicContact CB-CD1 4.39Å; W822-L994 HydrophobicContact CH2-CD1 4.31Å; W822-L994 HydrophobicContact CZ2-CD1 4.19Å
823	C	98.1	Very high	94.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.9	-50.6	171	-59.9	0	0	0	0	111.7	L819 L820 Q825 I826 A827 Y905 F973	L819-C823 PolarHBondContact O-N 3.4Å; L819-C823 PolarHBondContact O-SG 3.31Å; L820-C823 WeakPolarHBondContact O-CB 3.15Å; L820-C823 PolarHBondContact O-N 3.28Å; C823-Q825 VanDerWaalsContact C-N 3.29Å; C823-Q825 PolarHBondContact O-N 3.22Å; C823-I826 PolarHBondContact O-N 2.64Å; C823-A827 WeakPolarHBondContact O-CB 3.39Å; C823-A827 PolarHBondContact O-N 3.02Å; C823-Y905 PolarHBondContact O-OH 3.11Å; C823-F973 HydrophobicContact CB-CB 4.41Å; C823-F973 HydrophobicContact CB-CD1 3.67Å; C823-F973 HydrophobicContact CB-CE1 4.03Å; C823-F973 HydrophobicContact CB-CG 3.95Å
824	V	98.2	Very high	95.2	Very high	8 Å²	8	17 Å²	17	5%	0.048	8%	0.081	C	C	.	.	H	α-helix	trans	-58.2	-39.1	176	173.6	0	0	0	0	112.4	L820 W822 K828 F973 A977	L820-V824 WeakPolarHBondContact O-CG2 3.14Å; L820-V824 PolarHBondContact O-N 3.16Å; W822-V824 PolarHBondContact O-N 2.9Å; V824-K828 HydrophobicContact CG1-CD 4.03Å; V824-K828 WeakPolarHBondContact O-CB 3.29Å; V824-K828 VanDerWaalsContact O-CG 3.27Å; V824-K828 WeakPolarHBondContact O-CG 3.09Å; V824-K828 PolarHBondContact O-N 2.94Å; V824-F973 HydrophobicContact CG2-CB 3.62Å; V824-F973 WeakPolarHBondContact CG2-O 3.25Å; V824-A977 HydrophobicContact CG2-CB 4.46Å
825	Q	97.9	Very high	95.1	Very high	21 Å²	21	23.2 Å²	23.2	10%	0.098	11%	0.11	C	C	.	.	H	α-helix	trans	-71.3	-39	179.9	-73.6	-179.7	47.4	0	0	112.7	H778 N821 W822 C823 G829 H854 V856	H778-Q825 VanDerWaalsContact CB-O 3.3Å; H778-Q825 WeakPolarHBondContact CB-O 3.44Å; H778-Q825 VanDerWaalsContact CE1-CD 3.47Å; H778-Q825 VanDerWaalsContact CE1-CG 3.42Å; H778-Q825 WeakPolarHBondContact CE1-CG 3.39Å; H778-Q825 PolarHBondContact CE1-OE1 3.48Å; H778-Q825 PolarHBondContact ND1-OE1 3.2Å; N821-Q825 VanDerWaalsContact O-CG 3.26Å; N821-Q825 WeakPolarHBondContact O-CG 3.49Å; N821-Q825 PolarHBondContact O-N 2.87Å; W822-Q825 PolarHBondContact O-N 2.96Å; W822-Q825 VanDerWaalsContact O-N 3.15Å; C823-Q825 VanDerWaalsContact C-N 3.29Å; C823-Q825 PolarHBondContact O-N 3.22Å; Q825-G829 PolarHBondContact O-N 3.23Å; Q825-H854 PolarHBondContact NE2-O 2.89Å; Q825-V856 HydrophobicContact CB-CG2 3.61Å; Q825-V856 HydrophobicContact CG-CG2 4.48Å
826	I	98.1	Very high	94.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-46.9	174.9	-62.8	162	0	0	0	109.6	L803 W822 C823 K828 G829 M830 L843 V848 V856 I858 Y905 T908 L912	L803-I826 HydrophobicContact CD2-CD1 4.16Å; W822-I826 VanDerWaalsContact O-CG1 3.29Å; W822-I826 WeakPolarHBondContact O-CG1 3.19Å; W822-I826 PolarHBondContact O-N 3.19Å; C823-I826 PolarHBondContact O-N 2.64Å; I826-K828 VanDerWaalsContact C-N 3.31Å; I826-K828 PolarHBondContact O-N 3.5Å; I826-G829 CarbonylContact O-C 3.54Å; I826-G829 WeakPolarHBondContact O-CA 3.31Å; I826-G829 PolarHBondContact O-N 2.97Å; I826-M830 HydrophobicContact CG2-CG 4.49Å; I826-M830 PolarHBondContact O-N 3.16Å; I826-L843 HydrophobicContact CG2-CD1 4.19Å; I826-L843 HydrophobicContact CG2-CD2 4.48Å; I826-V848 HydrophobicContact CD1-CG1 4.23Å; I826-V848 HydrophobicContact CD1-CG2 4.03Å; I826-V848 HydrophobicContact CG1-CG1 4.11Å; I826-V848 HydrophobicContact CG1-CG2 4.08Å; I826-V856 HydrophobicContact CG1-CG2 4.37Å; I826-I858 HydrophobicContact CG2-CD1 4.05Å; I826-I858 HydrophobicContact CG2-CG1 4.47Å; I826-Y905 HydrophobicContact CB-CE2 4.14Å; I826-Y905 HydrophobicContact CG2-CD2 3.79Å; I826-Y905 HydrophobicContact CG2-CE2 3.9Å; I826-T908 HydrophobicContact CD1-CG2 4.28Å; I826-L912 HydrophobicContact CD1-CD1 3.98Å
827	A	98.3	Very high	94.5	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-40.6	177.3	0	0	0	0	0	112.2	C823 G829 M830 N831 Y905 L969 I970	C823-A827 WeakPolarHBondContact O-CB 3.39Å; C823-A827 PolarHBondContact O-N 3.02Å; A827-G829 VanDerWaalsContact C-N 3.34Å; A827-M830 PolarHBondContact O-N 2.98Å; A827-N831 WeakPolarHBondContact O-CB 3.39Å; A827-N831 PolarHBondContact O-N 3.11Å; A827-Y905 HydrophobicContact CB-CE2 3.97Å; A827-L969 HydrophobicContact CB-CB 4.41Å; A827-I970 HydrophobicContact CB-CG1 3.68Å
828	K	98	Very high	94.1	Very high	83 Å²	83	30.3 Å²	30.3	36%	0.361	14%	0.137	S	C	.	.	H	α-helix	trans	-62.9	-38	170.6	-75.1	172.3	-177.1	172.4	0	112.9	H776 V824 I826 M830 Y832 I970	H776-K828 VanDerWaalsContact CE1-C 3.47Å; H776-K828 PolarHBondContact CE1-O 3.46Å; V824-K828 HydrophobicContact CG1-CD 4.03Å; V824-K828 WeakPolarHBondContact O-CB 3.29Å; V824-K828 VanDerWaalsContact O-CG 3.27Å; V824-K828 WeakPolarHBondContact O-CG 3.09Å; V824-K828 PolarHBondContact O-N 2.94Å; I826-K828 VanDerWaalsContact C-N 3.31Å; I826-K828 PolarHBondContact O-N 3.5Å; K828-M830 VanDerWaalsContact C-N 3.35Å; K828-Y832 PolarHBondContact O-N 3.1Å; K828-I970 HydrophobicContact CB-CD1 4.4Å; K828-I970 HydrophobicContact CG-CD1 3.79Å; K828-I970 HydrophobicContact CG-CG1 3.9Å; K828-I970 HydrophobicContact CG-CG2 4.18Å
829	G	95.9	Very high	93.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-43.1	173.8	0	0	0	0	0	112.5	Q825 I826 A827	Q825-G829 PolarHBondContact O-N 3.23Å; I826-G829 CarbonylContact O-C 3.54Å; I826-G829 WeakPolarHBondContact O-CA 3.31Å; I826-G829 PolarHBondContact O-N 2.97Å; A827-G829 VanDerWaalsContact C-N 3.34Å
830	M	96.9	Very high	93.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-76.8	-40.1	-178.6	-67.6	-52.5	-66.4	0	0	113.8	I826 A827 K828 Y832 L833 E834 H840 L843 I858 D901 F966	I826-M830 HydrophobicContact CG2-CG 4.49Å; I826-M830 PolarHBondContact O-N 3.16Å; A827-M830 PolarHBondContact O-N 2.98Å; K828-M830 VanDerWaalsContact C-N 3.35Å; M830-Y832 PolarHBondContact O-N 3.39Å; M830-L833 HydrophobicContact CE-CD1 4.38Å; M830-L833 WeakPolarHBondContact O-CA 3.48Å; M830-L833 WeakPolarHBondContact O-CB 3.37Å; M830-L833 PolarHBondContact O-N 2.9Å; M830-L833 HydrophobicContact SD-CD1 3.92Å; M830-E834 PolarHBondContact O-N 3.28Å; M830-H840 HydrophobicContact CE-CB 3.73Å; M830-H840 HydrophobicContact SD-CB 4.36Å; M830-L843 HydrophobicContact CE-CD2 4.05Å; M830-L843 HydrophobicContact CG-CD2 3.74Å; M830-L843 HydrophobicContact SD-CD1 4.07Å; M830-L843 HydrophobicContact SD-CD2 3.84Å; M830-L843 HydrophobicContact SD-CG 4.47Å; M830-I858 HydrophobicContact CG-CD1 3.75Å; M830-I858 HydrophobicContact SD-CD1 3.6Å; M830-I858 VanDerWaalsContact SD-CD1 3.6Å; M830-D901 HydrophobicContact CE-CB 3.63Å; M830-D901 WeakPolarHBondContact CE-OD2 3.49Å; M830-F966 HydrophobicContact CB-CD1 3.48Å; M830-F966 VanDerWaalsContact CB-CD1 3.48Å; M830-F966 HydrophobicContact CB-CD2 3.81Å; M830-F966 HydrophobicContact CB-CE1 3.4Å; M830-F966 HydrophobicContact CB-CE2 3.74Å; M830-F966 HydrophobicContact CB-CG 3.68Å; M830-F966 HydrophobicContact CB-CZ 3.53Å; M830-F966 HydrophobicContact CE-CE2 4.23Å; M830-F966 HydrophobicContact CE-CZ 4.04Å; M830-F966 HydrophobicContact CG-CD1 4.3Å; M830-F966 HydrophobicContact CG-CE1 3.78Å; M830-F966 HydrophobicContact CG-CE2 4.48Å; M830-F966 HydrophobicContact CG-CZ 3.87Å
831	N	97.4	Very high	93.1	Very high	19 Å²	19	30.8 Å²	30.8	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-55.3	-37.7	171.6	-176.6	115.8	0	0	0	111.4	A827 L833 E834 E835 F966 R967 I970	A827-N831 WeakPolarHBondContact O-CB 3.39Å; A827-N831 PolarHBondContact O-N 3.11Å; N831-L833 VanDerWaalsContact C-N 3.3Å; N831-L833 PolarHBondContact O-N 3.25Å; N831-E834 PolarHBondContact O-N 3.15Å; N831-E835 PolarHBondContact ND2-OE1 3.47Å; N831-E835 PolarHBondContact ND2-OE2 3.37Å; N831-E835 WeakPolarHBondContact O-CB 3Å; N831-E835 VanDerWaalsContact O-CG 3.31Å; N831-E835 WeakPolarHBondContact O-CG 3.39Å; N831-E835 PolarHBondContact O-N 3.38Å; N831-F966 HydrophobicContact CB-CB 3.78Å; N831-R967 VanDerWaalsContact OD1-CA 3.28Å; N831-R967 WeakPolarHBondContact OD1-CA 3.36Å; N831-R967 WeakPolarHBondContact OD1-CB 3.35Å; N831-R967 PolarHBondContact OD1-N 3.35Å; N831-I970 HydrophobicContact CB-CD1 3.56Å
832	Y	94.9	Very high	92.6	Very high	23 Å²	23	28.7 Å²	28.7	9%	0.09	13%	0.127	C	C	.	.	H	α-helix	trans	-66.7	-28.5	174.7	172.3	-85.9	0	0	0	113.1	V774 E775 H776 V779 K828 M830 R836	V774-Y832 HydrophobicContact CB-CE1 3.88Å; V774-Y832 HydrophobicContact CG1-CE1 3.97Å; E775-Y832 PolarHBondContact N-OH 2.97Å; H776-Y832 HydrophobicContact CB-CD1 3.68Å; H776-Y832 HydrophobicContact CB-CD2 3.73Å; H776-Y832 HydrophobicContact CB-CE1 4.02Å; H776-Y832 HydrophobicContact CB-CE2 4.02Å; H776-Y832 HydrophobicContact CB-CG 3.57Å; H776-Y832 AromaticContact CD2-CD2 3.97Å; H776-Y832 AromaticContact CG-CD2 3.92Å; H776-Y832 AromaticContact CG-CG 3.65Å; V779-Y832 HydrophobicContact CG2-CD1 4.23Å; K828-Y832 PolarHBondContact O-N 3.1Å; M830-Y832 PolarHBondContact O-N 3.39Å; Y832-R836 HydrophobicContact CE1-CG 4.11Å; Y832-R836 HydrophobicContact CE2-CG 4.4Å; Y832-R836 WeakPolarHBondContact O-CB 3.09Å; Y832-R836 WeakPolarHBondContact O-CG 3.3Å; Y832-R836 PolarHBondContact OH-NE 2.95Å; Y832-R836 PolarHBondContact OH-NH2 2.93Å
833	L	91.1	Very high	92.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-79.7	-38.4	174.8	-63.4	178.5	0	0	0	111.3	V774 M830 N831 R836 H837 L838 H840	V774-L833 HydrophobicContact CG1-CD2 4.43Å; M830-L833 HydrophobicContact CE-CD1 4.38Å; M830-L833 WeakPolarHBondContact O-CA 3.48Å; M830-L833 WeakPolarHBondContact O-CB 3.37Å; M830-L833 PolarHBondContact O-N 2.9Å; M830-L833 HydrophobicContact SD-CD1 3.92Å; N831-L833 VanDerWaalsContact C-N 3.3Å; N831-L833 PolarHBondContact O-N 3.25Å; L833-R836 CarbonylContact O-C 3.53Å; L833-R836 WeakPolarHBondContact O-CA 3.1Å; L833-R836 PolarHBondContact O-N 2.69Å; L833-H837 PolarHBondContact O-N 2.84Å; L833-H837 VanDerWaalsContact O-N 3.11Å; L833-L838 CarbonylContact C-O 3.58Å; L833-L838 HydrophobicContact CB-CB 4.19Å; L833-L838 HydrophobicContact CD2-CB 4.21Å; L833-L838 HydrophobicContact CD2-CD1 3.88Å; L833-L838 PolarHBondContact O-N 2.76Å; L833-H840 HydrophobicContact CD1-CB 4.41Å
834	E	91.4	Very high	92.1	Very high	30 Å²	30	28.7 Å²	28.7	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-50.8	170.5	-173.4	177.6	-162.6	0	0	111.2	M830 N831 R836 H837 H898 H965 F966	M830-E834 PolarHBondContact O-N 3.28Å; N831-E834 PolarHBondContact O-N 3.15Å; E834-R836 PolarHBondContact O-N 3.45Å; E834-H837 PolarHBondContact O-N 2.92Å; E834-H898 HydrophobicContact CG-CB 4.23Å; E834-H965 IonicContact OE1-CE1 3.5Å; E834-H965 IonicContact OE1-CG 3.47Å; E834-H965 IonicContact OE1-ND1 3.37Å; E834-H965 PolarHBondContact OE1-ND1 2.92Å; E834-F966 WeakPolarHBondContact OE2-CB 3.43Å; E834-F966 WeakPolarHBondContact OE2-CD2 3.38Å; E834-F966 PolarHBondContact OE2-N 3.37Å
835	E	89.1	Confident	91.9	Very high	130 Å²	130	28.3 Å²	28.3	61%	0.607	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-6.8	173.1	-73.9	173.5	175.4	0	0	114.5	N831	N831-E835 PolarHBondContact ND2-OE1 3.47Å; N831-E835 PolarHBondContact ND2-OE2 3.37Å; N831-E835 WeakPolarHBondContact O-CB 3Å; N831-E835 VanDerWaalsContact O-CG 3.31Å; N831-E835 WeakPolarHBondContact O-CG 3.39Å; N831-E835 PolarHBondContact O-N 3.38Å
836	R	84.9	Confident	91.6	Very high	125 Å²	125	30.4 Å²	30.4	47%	0.472	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	4.9	177.3	-70.3	-67.1	-164.3	143.6	6.2	113.4	Y832 L833 E834 L838	Y832-R836 HydrophobicContact CE1-CG 4.11Å; Y832-R836 HydrophobicContact CE2-CG 4.4Å; Y832-R836 WeakPolarHBondContact O-CB 3.09Å; Y832-R836 WeakPolarHBondContact O-CG 3.3Å; Y832-R836 PolarHBondContact OH-NE 2.95Å; Y832-R836 PolarHBondContact OH-NH2 2.93Å; L833-R836 CarbonylContact O-C 3.53Å; L833-R836 WeakPolarHBondContact O-CA 3.1Å; L833-R836 PolarHBondContact O-N 2.69Å; E834-R836 PolarHBondContact O-N 3.45Å; R836-L838 HydrophobicContact CB-CD1 4.1Å; R836-L838 HydrophobicContact CB-CG 4.02Å; R836-L838 PolarHBondContact O-N 2.95Å
837	H	84.1	Confident	91.3	Very high	108 Å²	108	31.2 Å²	31.2	50%	0.5	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	34.7	-175.9	-52.5	-60.6	0	0	0	113.7	L833 E834 L866 L867	L833-H837 PolarHBondContact O-N 2.84Å; L833-H837 VanDerWaalsContact O-N 3.11Å; E834-H837 PolarHBondContact O-N 2.92Å; H837-L866 HydrophobicContact CB-CD1 4.23Å; H837-L867 HydrophobicContact CB-CB 4.44Å; H837-L867 PolarHBondContact O-N 3.27Å
838	L	84.1	Confident	91.2	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-106.8	124.3	176.7	-58.7	-180	0	0	0	110.8	V770 V774 L833 R836 L866 H898	V770-L838 HydrophobicContact CG1-CD1 3.6Å; V770-L838 HydrophobicContact CG1-CD2 3.55Å; V770-L838 HydrophobicContact CG1-CG 4.23Å; V774-L838 HydrophobicContact CG1-CD1 4.11Å; L833-L838 CarbonylContact C-O 3.58Å; L833-L838 HydrophobicContact CB-CB 4.19Å; L833-L838 HydrophobicContact CD2-CB 4.21Å; L833-L838 HydrophobicContact CD2-CD1 3.88Å; L833-L838 PolarHBondContact O-N 2.76Å; R836-L838 HydrophobicContact CB-CD1 4.1Å; R836-L838 HydrophobicContact CB-CG 4.02Å; R836-L838 PolarHBondContact O-N 2.95Å; L838-L866 HydrophobicContact CD2-CB 4.22Å; L838-L866 HydrophobicContact CD2-CD1 3.81Å; L838-H898 PolarHBondContact O-CE1 3.19Å; L838-H898 VanDerWaalsContact O-CE1 3.29Å; L838-H898 PolarHBondContact O-ND1 2.97Å
839	V	86.1	Confident	90.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.127	C	C	.	.			trans	-103.7	121.9	176.7	-175.2	0	0	0	0	109.6	R841 A864 L867 T897 D901	V839-R841 HydrophobicContact CG1-CG 3.95Å; V839-A864 WeakPolarHBondContact O-CA 3.41Å; V839-A864 WeakPolarHBondContact O-CB 3.46Å; V839-L867 HydrophobicContact CG2-CD1 3.79Å; V839-L867 HydrophobicContact CG2-CG 4.13Å; V839-T897 WeakPolarHBondContact CG1-O 3.44Å; V839-D901 WeakPolarHBondContact CA-OD2 3.15Å
840	H	89.3	Confident	90.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	13%	0.127	C	C	.	.			trans	-78.6	-37.2	-169.5	-172.3	-25.8	0	0	0	114.1	M830 L833 D842 I858 T859 F861 D901	M830-H840 HydrophobicContact CE-CB 3.73Å; M830-H840 HydrophobicContact SD-CB 4.36Å; L833-H840 HydrophobicContact CD1-CB 4.41Å; H840-D842 PolarHBondContact CE1-O 2.89Å; H840-D842 PolarHBondContact O-N 3.47Å; H840-I858 WeakPolarHBondContact CD2-CG2 3.34Å; H840-I858 WeakPolarHBondContact NE2-CG2 3.29Å; H840-T859 PolarHBondContact CE1-O 2.95Å; H840-T859 VanDerWaalsContact CE1-O 3.29Å; H840-T859 PolarHBondContact NE2-O 3.38Å; H840-F861 HydrophobicContact CB-CB 4.48Å; H840-F861 PolarHBondContact CE1-N 2.83Å; H840-D901 PolarHBondContact N-OD1 2.69Å; H840-D901 PolarHBondContact N-OD2 3.12Å
841	R	86.2	Confident	90.2	Very high	30 Å²	30	32.3 Å²	32.3	11%	0.113	14%	0.142	C	C	.	.	S	Bend	trans	67.9	-22.2	172.1	-49.7	169.4	178.8	167.7	-9.5	117.5	V839 L863 Y896 D901	V839-R841 HydrophobicContact CG1-CG 3.95Å; R841-L863 PolarHBondContact NH1-O 2.83Å; R841-Y896 HydrophobicContact CB-CD1 3.91Å; R841-Y896 HydrophobicContact CB-CE1 4.16Å; R841-Y896 HydrophobicContact CG-CD1 3.66Å; R841-Y896 HydrophobicContact CG-CE1 4.31Å; R841-Y896 HydrophobicContact CG-CG 4Å; R841-D901 PolarHBondContact N-OD1 2.85Å
842	D	86.3	Confident	89.6	Confident	17 Å²	17	33.2 Å²	33.2	9%	0.091	15%	0.148	C	C	.	.			trans	-131.9	49.9	176.8	-168.6	24.4	0	0	0	110.6	H840 A844 R846 N847 P882	H840-D842 PolarHBondContact CE1-O 2.89Å; H840-D842 PolarHBondContact O-N 3.47Å; D842-A844 PolarHBondContact O-N 3.13Å; D842-R846 IonicContact OD1-CZ 2.63Å; D842-R846 IonicContact OD1-NE 3.58Å; D842-R846 IonicContact OD1-NH2 2.77Å; D842-R846 PolarHBondContact OD1-NH2 3.3Å; D842-R846 IonicContact OD2-NE 3.45Å; D842-N847 PolarHBondContact O-ND2 3.41Å; D842-N847 PolarHBondContact OD2-ND2 2.03Å; D842-P882 HydrophobicContact CB-CG 4.24Å; D842-P882 WeakPolarHBondContact OD1-CB 3.45Å; D842-P882 WeakPolarHBondContact OD1-CG 3.42Å
843	L	93.8	Very high	89.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.145	C	C	.	.			trans	-79	114.1	173	-178.2	65.9	0	0	0	110	I826 M830 I858 Y905 T908	I826-L843 HydrophobicContact CG2-CD1 4.19Å; I826-L843 HydrophobicContact CG2-CD2 4.48Å; M830-L843 HydrophobicContact CE-CD2 4.05Å; M830-L843 HydrophobicContact CG-CD2 3.74Å; M830-L843 HydrophobicContact SD-CD1 4.07Å; M830-L843 HydrophobicContact SD-CD2 3.84Å; M830-L843 HydrophobicContact SD-CG 4.47Å; L843-I858 HydrophobicContact CD1-CD1 4.36Å; L843-I858 HydrophobicContact CD1-CG2 4.38Å; L843-Y905 HydrophobicContact CD2-CD2 4.35Å; L843-T908 PolarHBondContact O-OG1 2.69Å
844	A	93	Very high	89	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-153.6	162	-179.7	0	0	0	0	0	110	D842 R846 N847 W885 T908	D842-A844 PolarHBondContact O-N 3.13Å; A844-R846 HydrophobicContact CB-CG 3.68Å; A844-R846 VanDerWaalsContact CB-CZ 3.41Å; A844-R846 PolarHBondContact O-N 2.92Å; A844-R846 VanDerWaalsContact O-N 3.12Å; A844-N847 PolarHBondContact O-N 3.45Å; A844-W885 HydrophobicContact CB-CD2 4.32Å; A844-W885 HydrophobicContact CB-CG 4.14Å; A844-T908 WeakPolarHBondContact CA-OG1 3.21Å
845	A	93.4	Very high	89	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.7	-24	-179.6	0	0	0	0	0	113.7	L803 L804 N847 E911	L803-A845 PolarHBondContact N-O 3.46Å; L804-A845 HydrophobicContact CB-CB 3.84Å; L804-A845 HydrophobicContact CD1-CB 4.28Å; L804-A845 PolarHBondContact N-O 3.49Å; L804-A845 VanDerWaalsContact N-O 3.1Å; A845-N847 VanDerWaalsContact C-N 3.31Å; A845-E911 HydrophobicContact CB-CB 3.94Å; A845-E911 HydrophobicContact CB-CG 4.46Å; A845-E911 WeakPolarHBondContact CB-OE2 3.1Å; A845-E911 PolarHBondContact N-OE2 3.04Å
846	R	91.2	Very high	89.3	Confident	66 Å²	66	31.8 Å²	31.8	25%	0.249	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-64	-30.8	169.6	54.2	163.4	177.3	-74.7	-6.7	113.8	C802 L804 D842 A844 V848	C802-R846 WeakPolarHBondContact CB-O 3Å; L804-R846 HydrophobicContact CD2-CB 4.23Å; D842-R846 IonicContact OD1-CZ 2.63Å; D842-R846 IonicContact OD1-NE 3.58Å; D842-R846 IonicContact OD1-NH2 2.77Å; D842-R846 PolarHBondContact OD1-NH2 3.3Å; D842-R846 IonicContact OD2-NE 3.45Å; A844-R846 HydrophobicContact CB-CG 3.68Å; A844-R846 VanDerWaalsContact CB-CZ 3.41Å; A844-R846 PolarHBondContact O-N 2.92Å; A844-R846 VanDerWaalsContact O-N 3.12Å; R846-V848 VanDerWaalsContact C-N 3.34Å
847	N	92.1	Very high	89.7	Confident	17 Å²	17	27 Å²	27	9%	0.091	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-101.1	20.6	-175.7	-65.6	-9.7	0	0	0	111.6	D842 A844 A845 T859	D842-N847 PolarHBondContact O-ND2 3.41Å; D842-N847 PolarHBondContact OD2-ND2 2.03Å; A844-N847 PolarHBondContact O-N 3.45Å; A845-N847 VanDerWaalsContact C-N 3.31Å; N847-T859 HydrophobicContact CB-CG2 4.34Å; N847-T859 VanDerWaalsContact O-CG2 3.29Å; N847-T859 WeakPolarHBondContact O-CG2 3.37Å; N847-T859 PolarHBondContact O-N 3.49Å
848	V	94.9	Very high	90.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.1	167	-179.1	0	0	0	0	107.6	C802 L803 I826 R846 V856 K857	C802-V848 CarbonylContact C-O 3.45Å; C802-V848 WeakPolarHBondContact CA-O 3.05Å; L803-V848 HydrophobicContact CB-CB 4.03Å; L803-V848 HydrophobicContact CB-CG1 4.09Å; L803-V848 WeakPolarHBondContact CB-O 3.3Å; L803-V848 HydrophobicContact CD2-CB 4.18Å; L803-V848 HydrophobicContact CD2-CG1 3.72Å; L803-V848 PolarHBondContact N-O 3.43Å; I826-V848 HydrophobicContact CD1-CG1 4.23Å; I826-V848 HydrophobicContact CD1-CG2 4.03Å; I826-V848 HydrophobicContact CG1-CG1 4.11Å; I826-V848 HydrophobicContact CG1-CG2 4.08Å; R846-V848 VanDerWaalsContact C-N 3.34Å; V848-V856 HydrophobicContact CG1-CB 3.77Å; V848-V856 HydrophobicContact CG1-CG1 4.42Å; V848-V856 HydrophobicContact CG1-CG2 4.16Å; V848-K857 CarbonylContact C-O 3.59Å; V848-K857 WeakPolarHBondContact CA-O 3.43Å
849	L	93.1	Very high	90.4	Very high	32 Å²	32	22.1 Å²	22.1	17%	0.168	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.3	-178.6	-57.6	-176.8	0	0	0	112.1	M798 G801 C802 V856 K857 T859	M798-L849 HydrophobicContact CB-CB 3.85Å; M798-L849 HydrophobicContact CB-CD1 4.21Å; M798-L849 HydrophobicContact CG-CB 3.68Å; M798-L849 HydrophobicContact CG-CD1 3.8Å; M798-L849 HydrophobicContact CG-CG 4.41Å; G801-L849 WeakPolarHBondContact O-CA 3.36Å; C802-L849 HydrophobicContact CB-CD2 4.15Å; L849-V856 CarbonylContact O-C 3.51Å; L849-V856 WeakPolarHBondContact O-CA 3.3Å; L849-K857 PolarHBondContact N-O 3.1Å; L849-K857 PolarHBondContact O-N 3.12Å; L849-T859 HydrophobicContact CD1-CG2 3.97Å; L849-T859 HydrophobicContact CD2-CG2 3.92Å; L849-T859 HydrophobicContact CG-CG2 3.59Å
850	V	91.6	Very high	89.9	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.2	-179	-176.8	0	0	0	0	110	Y800 G801 L803 Y806 T852 V856	Y800-V850 HydrophobicContact CD2-CG1 4.24Å; Y800-V850 HydrophobicContact CG-CG1 4.22Å; Y800-V850 PolarHBondContact N-O 3.26Å; G801-V850 PolarHBondContact O-N 3.1Å; L803-V850 HydrophobicContact CB-CG2 3.95Å; L803-V850 HydrophobicContact CD1-CG2 3.71Å; L803-V850 HydrophobicContact CG-CG2 4.43Å; Y806-V850 HydrophobicContact CD1-CG1 4.48Å; Y806-V850 HydrophobicContact CD1-CG2 4.3Å; Y806-V850 HydrophobicContact CD2-CG1 4.34Å; Y806-V850 HydrophobicContact CE2-CG1 4.39Å; Y806-V850 HydrophobicContact CG-CG1 4.39Å; Y806-V850 HydrophobicContact CG-CG2 4.03Å; V850-T852 WeakPolarHBondContact CG1-O 3.16Å; V850-V856 HydrophobicContact CG2-CG1 4.26Å
851	K	85.6	Confident	88.9	Confident	76 Å²	76	24 Å²	24	33%	0.33	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-41.9	176.8	-176.1	-178.4	174.6	-174.7	0	111.3	M798 H855	M798-K851 HydrophobicContact SD-CB 3.8Å; M798-K851 HydrophobicContact SD-CD 4.32Å; M798-K851 HydrophobicContact SD-CG 3.89Å; K851-H855 HydrophobicContact CB-CB 4.33Å; K851-H855 WeakPolarHBondContact CB-O 3.34Å; K851-H855 PolarHBondContact N-O 3.23Å
852	T	85.9	Confident	87.3	Confident	37 Å²	37	23.1 Å²	23.1	23%	0.227	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.4	170.2	63.8	0	0	0	0	108.5	V850 H854 H855	V850-T852 WeakPolarHBondContact CG1-O 3.16Å; T852-H854 PolarHBondContact O-N 3.46Å; T852-H855 PolarHBondContact N-O 3.27Å; T852-H855 PolarHBondContact O-N 3.28Å; T852-H855 VanDerWaalsContact O-O 3.13Å; T852-H855 WeakPolarHBondContact OG1-CB 3.34Å; T852-H855 PolarHBondContact OG1-N 3.07Å
853	P	85.5	Confident	85.7	Confident	3 Å²	3	24.9 Å²	24.9	2%	0.019	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-23	174.7	-31	36.8	0	0	0	115.8	H818 W822 L994	H818-P853 PolarHBondContact ND1-O 3.18Å; W822-P853 PolarHBondContact NE1-O 3.1Å; W822-P853 VanDerWaalsContact NE1-O 3.1Å; P853-L994 HydrophobicContact CB-CB 3.87Å; P853-L994 HydrophobicContact CB-CD1 3.84Å; P853-L994 HydrophobicContact CG-CB 4.31Å
854	H	87.6	Confident	83.9	Confident	106 Å²	106	25 Å²	25	49%	0.491	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	0.4	179.5	-48.9	-76.5	0	0	0	113.8	H818 Q825 T852	H818-H854 AromaticContact CE1-CE1 3.45Å; H818-H854 PolarHBondContact CE1-CE1 3.27Å; H818-H854 VanDerWaalsContact CE1-CE1 3.45Å; H818-H854 AromaticContact CE1-ND1 3.41Å; H818-H854 PolarHBondContact CE1-ND1 2.03Å; H818-H854 AromaticContact NE2-CE1 3.93Å; Q825-H854 PolarHBondContact NE2-O 2.89Å; T852-H854 PolarHBondContact O-N 3.46Å
855	H	91.1	Very high	82.1	Confident	44 Å²	44	28.9 Å²	28.9	20%	0.204	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	113.6	-176.2	-163	125.1	0	0	0	111.8	P777 H778 K851 T852	P777-H855 PolarHBondContact O-NE2 3.26Å; H778-H855 AromaticContact CE1-CE1 3.87Å; H778-H855 AromaticContact CE1-NE2 3.7Å; H778-H855 AromaticContact ND1-NE2 3.6Å; K851-H855 HydrophobicContact CB-CB 4.33Å; K851-H855 WeakPolarHBondContact CB-O 3.34Å; K851-H855 PolarHBondContact N-O 3.23Å; T852-H855 PolarHBondContact N-O 3.27Å; T852-H855 PolarHBondContact O-N 3.28Å; T852-H855 VanDerWaalsContact O-O 3.13Å; T852-H855 WeakPolarHBondContact OG1-CB 3.34Å; T852-H855 PolarHBondContact OG1-N 3.07Å
856	V	95.4	Very high	79.9	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	157.5	172.4	-62.2	0	0	0	0	112.3	H778 L803 W822 Q825 I826 V848 L849 V850	H778-V856 PolarHBondContact ND1-O 2.87Å; L803-V856 HydrophobicContact CD1-CG1 4.3Å; L803-V856 HydrophobicContact CD2-CG1 4.22Å; W822-V856 HydrophobicContact CB-CG2 4.39Å; W822-V856 HydrophobicContact CG-CG1 4.06Å; Q825-V856 HydrophobicContact CB-CG2 3.61Å; Q825-V856 HydrophobicContact CG-CG2 4.48Å; I826-V856 HydrophobicContact CG1-CG2 4.37Å; V848-V856 HydrophobicContact CG1-CB 3.77Å; V848-V856 HydrophobicContact CG1-CG1 4.42Å; V848-V856 HydrophobicContact CG1-CG2 4.16Å; L849-V856 CarbonylContact O-C 3.51Å; L849-V856 WeakPolarHBondContact O-CA 3.3Å; V850-V856 HydrophobicContact CG2-CG1 4.26Å
857	K	94	Very high	77.8	Confident	25 Å²	25	30.8 Å²	30.8	11%	0.109	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.4	177.4	-79.9	-178.2	163.5	-64.5	0	111.7	H776 P777 H778 V779 C780 M798 V848 L849	H776-K857 PolarHBondContact O-NZ 2.86Å; P777-K857 VanDerWaalsContact O-CE 3.3Å; P777-K857 WeakPolarHBondContact O-CE 3.34Å; P777-K857 WeakPolarHBondContact O-CG 3.46Å; P777-K857 PolarHBondContact O-NZ 2.78Å; H778-K857 CarbonylContact O-C 3.48Å; H778-K857 WeakPolarHBondContact O-CA 3.43Å; V779-K857 PolarHBondContact O-NZ 2.75Å; C780-K857 VanDerWaalsContact SG-CB 3.55Å; M798-K857 HydrophobicContact CE-CD 3.75Å; M798-K857 HydrophobicContact SD-CD 4.4Å; V848-K857 CarbonylContact C-O 3.59Å; V848-K857 WeakPolarHBondContact CA-O 3.43Å; L849-K857 PolarHBondContact N-O 3.1Å; L849-K857 PolarHBondContact O-N 3.12Å
858	I	93.8	Very high	75.5	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.1	172.2	-57.4	-178.3	0	0	0	110.2	H778 V779 C780 I826 M830 H840 L843	H778-I858 PolarHBondContact O-N 3.27Å; V779-I858 CarbonylContact C-O 3.57Å; C780-I858 VanDerWaalsContact CB-O 3.3Å; C780-I858 WeakPolarHBondContact CB-O 3.47Å; C780-I858 PolarHBondContact N-O 3.14Å; I826-I858 HydrophobicContact CG2-CD1 4.05Å; I826-I858 HydrophobicContact CG2-CG1 4.47Å; M830-I858 HydrophobicContact CG-CD1 3.75Å; M830-I858 HydrophobicContact SD-CD1 3.6Å; M830-I858 VanDerWaalsContact SD-CD1 3.6Å; H840-I858 WeakPolarHBondContact CD2-CG2 3.34Å; H840-I858 WeakPolarHBondContact NE2-CG2 3.29Å; L843-I858 HydrophobicContact CD1-CD1 4.36Å; L843-I858 HydrophobicContact CD1-CG2 4.38Å
859	T	88.2	Confident	73	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.049	22%	0.215	C	C	.	.			trans	-127.7	173.5	178.6	-169.7	0	0	0	0	110.8	H840 N847 L849 F861	H840-T859 PolarHBondContact CE1-O 2.95Å; H840-T859 VanDerWaalsContact CE1-O 3.29Å; H840-T859 PolarHBondContact NE2-O 3.38Å; N847-T859 HydrophobicContact CB-CG2 4.34Å; N847-T859 VanDerWaalsContact O-CG2 3.29Å; N847-T859 WeakPolarHBondContact O-CG2 3.37Å; N847-T859 PolarHBondContact O-N 3.49Å; L849-T859 HydrophobicContact CD1-CG2 3.97Å; L849-T859 HydrophobicContact CD2-CG2 3.92Å; L849-T859 HydrophobicContact CG-CG2 3.59Å; T859-F861 PolarHBondContact O-N 3Å
860	D	76.7	Confident	70.5	Confident	39 Å²	39	45.6 Å²	45.6	21%	0.209	25%	0.248	C	C	.	.			trans	61.5	14	166.6	-68.1	-92.3	0	0	0	117.1	K750 G862	K750-D860 IonicContact NZ-OD1 2.69Å; K750-D860 PolarHBondContact NZ-OD1 2.89Å; D860-G862 PolarHBondContact O-N 3.38Å
861	F	66.8	Low	68.5	Low	1 Å²	1	50.5 Å²	50.5	0%	0.004	27%	0.271	C	S	.	.			trans	-60.4	13.2	152.8	76	-79.3	0	0	0	113.4	M771 V774 V779 C780 H840 T859 L863 A864	M771-F861 HydrophobicContact CB-CE2 4.2Å; M771-F861 HydrophobicContact CB-CZ 4.09Å; M771-F861 HydrophobicContact CG-CD2 4.48Å; M771-F861 HydrophobicContact CG-CE2 3.86Å; M771-F861 HydrophobicContact CG-CZ 4.02Å; V774-F861 HydrophobicContact CG1-CE2 4.05Å; V774-F861 HydrophobicContact CG1-CZ 4.27Å; V774-F861 HydrophobicContact CG2-CE1 4.4Å; V774-F861 HydrophobicContact CG2-CE2 4.18Å; V774-F861 HydrophobicContact CG2-CZ 3.56Å; V779-F861 HydrophobicContact CG1-CD1 4.02Å; V779-F861 HydrophobicContact CG1-CE1 3.53Å; V779-F861 HydrophobicContact CG1-CZ 3.96Å; C780-F861 WeakPolarHBondContact O-CE1 3.11Å; H840-F861 HydrophobicContact CB-CB 4.48Å; H840-F861 PolarHBondContact CE1-N 2.83Å; T859-F861 PolarHBondContact O-N 3Å; F861-L863 PolarHBondContact O-N 3.23Å; F861-A864 HydrophobicContact CB-CB 4.16Å; F861-A864 HydrophobicContact CD2-CB 4.38Å; F861-A864 WeakPolarHBondContact O-CB 3.22Å; F861-A864 PolarHBondContact O-N 3.09Å
862	G	54.1	Low	66.9	Low	12 Å²	12	55.4 Å²	55.4	12%	0.124	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	34.4	173	0	0	0	0	0	114	M771 D860	M771-G862 WeakPolarHBondContact SD-CA 3.4Å; D860-G862 PolarHBondContact O-N 3.38Å
863	L	52.5	Low	65.2	Low	55 Å²	55	58.5 Å²	58.5	29%	0.288	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	10.6	170.1	-60.7	170.3	0	0	0	109.3	F728 R841 F861	F728-L863 HydrophobicContact CD1-CD1 3.73Å; F728-L863 HydrophobicContact CD1-CD2 4.36Å; F728-L863 HydrophobicContact CD2-CD1 4.03Å; F728-L863 HydrophobicContact CE1-CD1 3.42Å; F728-L863 VanDerWaalsContact CE1-CD1 3.42Å; F728-L863 HydrophobicContact CE1-CD2 4.46Å; F728-L863 HydrophobicContact CE2-CD1 3.72Å; F728-L863 HydrophobicContact CG-CD1 4.03Å; F728-L863 HydrophobicContact CZ-CD1 3.42Å; F728-L863 VanDerWaalsContact CZ-CD1 3.42Å; R841-L863 PolarHBondContact NH1-O 2.83Å; F861-L863 PolarHBondContact O-N 3.23Å
864	A	54.6	Low	63.5	Low	2 Å²	2	60.7 Å²	60.7	2%	0.017	31%	0.312	C	S	.	.			trans	-86.2	109.7	179.6	0	0	0	0	0	108.6	V839 F861	V839-A864 WeakPolarHBondContact O-CA 3.41Å; V839-A864 WeakPolarHBondContact O-CB 3.46Å; F861-A864 HydrophobicContact CB-CB 4.16Å; F861-A864 HydrophobicContact CD2-CB 4.38Å; F861-A864 WeakPolarHBondContact O-CB 3.22Å; F861-A864 PolarHBondContact O-N 3.09Å
865	K	56.7	Low	62	Low	81 Å²	81	61.1 Å²	61.1	35%	0.352	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-82.1	140.4	173.7	-151.8	146.8	164.7	176.1	0	108.8	Y874	K865-Y874 HydrophobicContact CD-CD2 4.3Å; K865-Y874 HydrophobicContact CD-CE2 3.55Å; K865-Y874 HydrophobicContact CG-CE2 4.43Å; K865-Y874 PolarHBondContact NZ-OH 2.89Å
866	L	46.3	Very low	60.3	Low	93 Å²	93	60.2 Å²	60.2	49%	0.487	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-64.6	129.9	168	-176.4	67	0	0	0	108.7	H837 L838	H837-L866 HydrophobicContact CB-CD1 4.23Å; L838-L866 HydrophobicContact CD2-CB 4.22Å; L838-L866 HydrophobicContact CD2-CD1 3.81Å
867	L	47.3	Very low	58	Low	13 Å²	13	68.4 Å²	68.4	7%	0.068	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-75.6	137	165.9	-68.4	174.3	0	0	0	108.9	H837 V839	H837-L867 HydrophobicContact CB-CB 4.44Å; H837-L867 PolarHBondContact O-N 3.27Å; V839-L867 HydrophobicContact CG2-CD1 3.79Å; V839-L867 HydrophobicContact CG2-CG 4.13Å
868	N	44.3	Very low	55.8	Low	99 Å²	99	69.7 Å²	69.7	53%	0.529	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-67.1	155.4	171	-69.2	-64	0	0	0	110.1	D870 E871	N868-D870 PolarHBondContact O-N 3.41Å; N868-E871 HydrophobicContact CB-CB 4.19Å; N868-E871 HydrophobicContact CB-CG 4.06Å; N868-E871 WeakPolarHBondContact CB-OE2 3.5Å; N868-E871 PolarHBondContact ND2-OE2 2.68Å; N868-E871 PolarHBondContact O-N 3.4Å
869	A	41.3	Very low	54	Low	100 Å²	100	72.6 Å²	72.6	83%	0.826	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.1	-172.3	0	0	0	0	0	114.5
870	D	42.3	Very low	52.5	Low	162 Å²	162	78.5 Å²	78.5	87%	0.866	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-5	178.9	-53.8	-58.1	0	0	0	113.4	N868	N868-D870 PolarHBondContact O-N 3.41Å
871	E	49.6	Very low	52.3	Low	102 Å²	102	78.6 Å²	78.6	48%	0.477	44%	0.435	S	S	.	.			trans	-103.4	118.6	-176.9	-70.8	179.3	158.2	0	0	111.5	N868	N868-E871 HydrophobicContact CB-CB 4.19Å; N868-E871 HydrophobicContact CB-CG 4.06Å; N868-E871 WeakPolarHBondContact CB-OE2 3.5Å; N868-E871 PolarHBondContact ND2-OE2 2.68Å; N868-E871 PolarHBondContact O-N 3.4Å
872	K	50.4	Low	53.1	Low	180 Å²	180	79.7 Å²	79.7	78%	0.783	44%	0.443	S	S	*	.			trans	-86.1	-17.2	176.9	-66.8	-176.1	176.7	-174.8	0	114.2
873	E	50.1	Low	54.5	Low	101 Å²	101	81.3 Å²	81.3	47%	0.472	45%	0.448	S	S	.	.			trans	-137.4	150.9	-164.6	-63.3	-170.5	-160	0	0	111.3	T895 T897	E873-T895 HydrophobicContact CB-CG2 4.12Å; E873-T895 HydrophobicContact CG-CG2 4.06Å; E873-T895 WeakPolarHBondContact OE2-CG2 3.43Å; E873-T897 HydrophobicContact CB-CG2 4.4Å; E873-T897 HydrophobicContact CG-CG2 3.81Å
874	Y	49.8	Very low	56.3	Low	50 Å²	50	79.9 Å²	79.9	20%	0.196	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.3	172.4	178.7	-99	0	0	0	111.7	K865 A876 T895 Y896	K865-Y874 HydrophobicContact CD-CD2 4.3Å; K865-Y874 HydrophobicContact CD-CE2 3.55Å; K865-Y874 HydrophobicContact CG-CE2 4.43Å; K865-Y874 PolarHBondContact NZ-OH 2.89Å; Y874-A876 HydrophobicContact CD1-CB 4.34Å; Y874-A876 HydrophobicContact CE1-CB 3.74Å; Y874-T895 CarbonylContact O-C 3.58Å; Y874-T895 WeakPolarHBondContact O-CA 3.41Å; Y874-Y896 HydrophobicContact CD1-CD2 4.19Å; Y874-Y896 PolarHBondContact N-O 3.37Å; Y874-Y896 VanDerWaalsContact N-O 3.16Å; Y874-Y896 PolarHBondContact O-N 2.88Å
875	H	57.4	Low	58.2	Low	115 Å²	115	80.8 Å²	80.8	53%	0.532	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.8	170.1	-55.1	-77.1	0	0	0	110.7	N893 R894 T895	H875-N893 PolarHBondContact ND1-O 3.11Å; H875-R894 WeakPolarHBondContact CA-O 3.42Å; H875-T895 PolarHBondContact CE1-OG1 3.11Å; H875-T895 VanDerWaalsContact CE1-OG1 3.28Å; H875-T895 PolarHBondContact ND1-OG1 3.2Å
876	A	55.5	Low	59.8	Low	25 Å²	25	77.1 Å²	77.1	21%	0.207	43%	0.427	C	S	.	.			trans	-117.6	129.9	-172.1	0	0	0	0	0	114.3	Y874 G878 Y896	Y874-A876 HydrophobicContact CD1-CB 4.34Å; Y874-A876 HydrophobicContact CE1-CB 3.74Å; A876-G878 PolarHBondContact O-N 3.35Å; A876-Y896 HydrophobicContact CB-CD2 4.35Å; A876-Y896 HydrophobicContact CB-CE2 3.71Å
877	D	46.5	Very low	62	Low	173 Å²	173	72.7 Å²	72.7	93%	0.925	40%	0.403	S	S	*	.			trans	-73.4	60.9	176.8	-65.6	-39.6	0	0	0	113.6
878	G	48.1	Very low	64.2	Low	52 Å²	52	72.9 Å²	72.9	54%	0.536	40%	0.404	S	S	.	.			trans	79.5	-173	169.4	0	0	0	0	0	116.6	A876	A876-G878 PolarHBondContact O-N 3.35Å
879	G	55.1	Low	66.3	Low	61 Å²	61	69.8 Å²	69.8	63%	0.629	39%	0.387	S	S	*	.			trans	117.7	169.2	179.5	0	0	0	0	0	115.5
880	K	58	Low	68.7	Low	133 Å²	133	65.1 Å²	65.1	58%	0.578	35%	0.348	S	S	*	.			trans	-71.9	126.7	169.4	-72.9	-170.4	176.5	-171.9	0	108.9	A727 L1022	A727-K880 HydrophobicContact CB-CD 4.29Å; K880-L1022 HydrophobicContact CD-CD1 4.28Å; K880-L1022 VanDerWaalsContact NZ-CD1 3.32Å
881	V	71.2	Confident	70.8	Confident	40 Å²	40	58.7 Å²	58.7	24%	0.242	31%	0.313	C	S	.	.			trans	-132.4	153	-173	-64.9	0	0	0	0	112.4	I883 M886	V881-I883 VanDerWaalsContact C-N 3.28Å; V881-I883 HydrophobicContact CG2-CG1 3.92Å; V881-I883 PolarHBondContact O-N 2.85Å; V881-M886 HydrophobicContact CB-CE 4.24Å; V881-M886 HydrophobicContact CB-SD 3.69Å; V881-M886 HydrophobicContact CG2-CE 4.14Å; V881-M886 HydrophobicContact CG2-SD 3.77Å
882	P	83.4	Confident	72.5	Confident	25 Å²	25	57.9 Å²	57.9	16%	0.162	31%	0.312	C	S	.	.			trans	-83.4	56.8	-170.4	35.8	-39	0	0	0	113.4	D842 K884 W885 M886	D842-P882 HydrophobicContact CB-CG 4.24Å; D842-P882 WeakPolarHBondContact OD1-CB 3.45Å; D842-P882 WeakPolarHBondContact OD1-CG 3.42Å; P882-K884 PolarHBondContact O-N 2.67Å; P882-W885 HydrophobicContact CB-CE3 4.34Å; P882-W885 PolarHBondContact O-N 2.75Å; P882-M886 HydrophobicContact CG-CG 4.04Å; P882-M886 HydrophobicContact CG-SD 4.17Å
883	I	85.2	Confident	74.1	Confident	45 Å²	45	54.5 Å²	54.5	23%	0.231	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-41.7	-43.6	-166.2	-58.3	177.2	0	0	0	114.7	V881 W885 M886 I891 A925 I928	V881-I883 VanDerWaalsContact C-N 3.28Å; V881-I883 HydrophobicContact CG2-CG1 3.92Å; V881-I883 PolarHBondContact O-N 2.85Å; I883-W885 PolarHBondContact O-N 3.41Å; I883-W885 VanDerWaalsContact O-N 3.15Å; I883-M886 HydrophobicContact CG1-SD 4.48Å; I883-M886 PolarHBondContact O-N 2.98Å; I883-M886 VanDerWaalsContact O-N 3.1Å; I883-I891 HydrophobicContact CG2-CD1 3.91Å; I883-I891 HydrophobicContact CG2-CG1 4.09Å; I883-I891 HydrophobicContact CG2-CG2 4.31Å; I883-A925 HydrophobicContact CB-CB 4.48Å; I883-A925 HydrophobicContact CD1-CB 4.24Å; I883-A925 WeakPolarHBondContact CG2-O 3.38Å; I883-I928 HydrophobicContact CG2-CB 3.94Å; I883-I928 HydrophobicContact CG2-CG1 4.32Å; I883-I928 HydrophobicContact CG2-CG2 4.16Å
884	K	89.9	Confident	75.6	Confident	26 Å²	26	53.8 Å²	53.8	11%	0.113	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-66.7	-12	-177.9	-69.5	-177.4	167.2	-144.8	0	115.8	P882 P919 Y920 I923 I928	P882-K884 PolarHBondContact O-N 2.67Å; K884-P919 WeakPolarHBondContact CD-O 3.32Å; K884-P919 PolarHBondContact NZ-O 3.22Å; K884-Y920 PolarHBondContact NZ-O 3.23Å; K884-I923 WeakPolarHBondContact CE-O 3.48Å; K884-I923 PolarHBondContact NZ-O 3.39Å; K884-I928 HydrophobicContact CG-CD1 4Å; K884-I928 HydrophobicContact CG-CG1 3.96Å
885	W	93.1	Very high	77.2	Confident	21 Å²	21	51.8 Å²	51.8	8%	0.08	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-106	-14.9	173.7	-71	-102.4	0	0	0	112.9	A844 P882 I883 S904 V907 E911 P919	A844-W885 HydrophobicContact CB-CD2 4.32Å; A844-W885 HydrophobicContact CB-CG 4.14Å; P882-W885 HydrophobicContact CB-CE3 4.34Å; P882-W885 PolarHBondContact O-N 2.75Å; I883-W885 PolarHBondContact O-N 3.41Å; I883-W885 VanDerWaalsContact O-N 3.15Å; W885-S904 WeakPolarHBondContact O-CA 3.41Å; W885-S904 PolarHBondContact O-OG 2.9Å; W885-V907 VanDerWaalsContact CD1-CG1 3.47Å; W885-V907 HydrophobicContact CG-CG1 3.99Å; W885-E911 WeakPolarHBondContact CZ2-OE1 3.42Å; W885-E911 VanDerWaalsContact NE1-CD 3.27Å; W885-E911 PolarHBondContact NE1-OE2 2.87Å; W885-P919 HydrophobicContact CH2-CG 4.44Å; W885-P919 HydrophobicContact CZ2-CG 3.8Å
886	M	90.5	Very high	78.5	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.02	27%	0.265	C	S	.	.	S	Bend	trans	-79.4	151.3	-171.3	-68	169.1	63	0	0	112.6	V881 P882 I883 S890 I891 Y896 W903	V881-M886 HydrophobicContact CB-CE 4.24Å; V881-M886 HydrophobicContact CB-SD 3.69Å; V881-M886 HydrophobicContact CG2-CE 4.14Å; V881-M886 HydrophobicContact CG2-SD 3.77Å; P882-M886 HydrophobicContact CG-CG 4.04Å; P882-M886 HydrophobicContact CG-SD 4.17Å; I883-M886 HydrophobicContact CG1-SD 4.48Å; I883-M886 PolarHBondContact O-N 2.98Å; I883-M886 VanDerWaalsContact O-N 3.1Å; M886-S890 WeakPolarHBondContact CE-O 3.44Å; M886-I891 HydrophobicContact CB-CD1 4.18Å; M886-I891 HydrophobicContact CB-CG1 3.7Å; M886-I891 HydrophobicContact CE-CG1 4.32Å; M886-Y896 HydrophobicContact CE-CE1 3.96Å; M886-W903 PolarHBondContact O-NE1 3.33Å
887	A	93.8	Very high	80.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.26	C	S	.	.			trans	-73.2	156.9	169.5	0	0	0	0	0	111.6	E889 S890 I891 W903	A887-E889 VanDerWaalsContact C-N 3.33Å; A887-E889 VanDerWaalsContact CB-CD 3.43Å; A887-E889 WeakPolarHBondContact CB-OE1 3.36Å; A887-E889 VanDerWaalsContact CB-OE2 3.29Å; A887-E889 WeakPolarHBondContact CB-OE2 3.18Å; A887-E889 PolarHBondContact O-N 3.03Å; A887-S890 WeakPolarHBondContact O-CB 3.24Å; A887-S890 PolarHBondContact O-N 3.34Å; A887-I891 WeakPolarHBondContact O-CG1 3.43Å; A887-I891 PolarHBondContact O-N 2.8Å; A887-W903 HydrophobicContact CB-CB 3.76Å; A887-W903 HydrophobicContact CB-CD2 3.84Å; A887-W903 HydrophobicContact CB-CE3 4.11Å; A887-W903 HydrophobicContact CB-CG 3.68Å
888	L	91.9	Very high	82.4	Confident	17 Å²	17	39.6 Å²	39.6	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-40.2	-173.5	-174.6	60.9	0	0	0	112.3	S890 I891 L892 A929 L932 E933 I958	L888-S890 VanDerWaalsContact C-N 3.26Å; L888-S890 PolarHBondContact O-N 3.23Å; L888-I891 PolarHBondContact O-N 3.49Å; L888-I891 VanDerWaalsContact O-N 3.15Å; L888-L892 HydrophobicContact CD1-CD1 3.87Å; L888-L892 HydrophobicContact CD1-CG 3.92Å; L888-L892 HydrophobicContact CD2-CD1 4.44Å; L888-L892 HydrophobicContact CG-CD1 3.87Å; L888-L892 HydrophobicContact CG-CG 4.26Å; L888-L892 WeakPolarHBondContact O-CG 3.34Å; L888-L892 PolarHBondContact O-N 3.33Å; L888-A929 HydrophobicContact CD1-CB 4.38Å; L888-L932 HydrophobicContact CD1-CB 4.14Å; L888-E933 HydrophobicContact CD1-CG 4.12Å; L888-E933 HydrophobicContact CD2-CG 3.91Å; L888-I958 HydrophobicContact CD2-CD1 3.79Å
889	E	90.3	Very high	84.7	Confident	34 Å²	34	37.9 Å²	37.9	16%	0.159	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-30.7	175.1	71.1	-77.2	-176.3	0	0	113	A887 N893 R894 T895 R963	A887-E889 VanDerWaalsContact C-N 3.33Å; A887-E889 VanDerWaalsContact CB-CD 3.43Å; A887-E889 WeakPolarHBondContact CB-OE1 3.36Å; A887-E889 VanDerWaalsContact CB-OE2 3.29Å; A887-E889 WeakPolarHBondContact CB-OE2 3.18Å; A887-E889 PolarHBondContact O-N 3.03Å; E889-N893 WeakPolarHBondContact O-CA 3.36Å; E889-N893 WeakPolarHBondContact O-CB 3.32Å; E889-N893 PolarHBondContact O-N 3.47Å; E889-R894 PolarHBondContact O-N 3.38Å; E889-T895 PolarHBondContact O-N 2.99Å; E889-R963 IonicContact OE1-CZ 3.13Å; E889-R963 IonicContact OE1-NH1 2.61Å; E889-R963 PolarHBondContact OE1-NH1 2.9Å; E889-R963 IonicContact OE1-NH2 3.09Å; E889-R963 PolarHBondContact OE1-NH2 2.8Å; E889-R963 IonicContact OE2-CZ 3.3Å; E889-R963 IonicContact OE2-NH1 3.2Å; E889-R963 IonicContact OE2-NH2 4Å; E889-R963 PolarHBondContact OE2-NH2 3.32Å
890	S	90.2	Very high	86.5	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-77.8	-28.2	175.7	-48.8	0	0	0	0	112.6	M886 A887 L888 R894 T895 S900	M886-S890 WeakPolarHBondContact CE-O 3.44Å; A887-S890 WeakPolarHBondContact O-CB 3.24Å; A887-S890 PolarHBondContact O-N 3.34Å; L888-S890 VanDerWaalsContact C-N 3.26Å; L888-S890 PolarHBondContact O-N 3.23Å; S890-R894 WeakPolarHBondContact O-CA 3.46Å; S890-T895 WeakPolarHBondContact CA-O 3.46Å; S890-T895 VanDerWaalsContact CB-O 3.27Å; S890-T895 WeakPolarHBondContact CB-O 3.42Å; S890-T895 PolarHBondContact OG-O 3.17Å; S890-S900 VanDerWaalsContact OG-CB 3.31Å; S890-S900 WeakPolarHBondContact OG-CB 3.26Å
891	I	87.1	Confident	88.3	Confident	26 Å²	26	28.8 Å²	28.8	13%	0.133	14%	0.144	C	C	.	.	H	α-helix	trans	-76.4	-50.5	176.2	-62.6	167.8	0	0	0	110.1	I883 M886 A887 L888 I928 A929 L932	I883-I891 HydrophobicContact CG2-CD1 3.91Å; I883-I891 HydrophobicContact CG2-CG1 4.09Å; I883-I891 HydrophobicContact CG2-CG2 4.31Å; M886-I891 HydrophobicContact CB-CD1 4.18Å; M886-I891 HydrophobicContact CB-CG1 3.7Å; M886-I891 HydrophobicContact CE-CG1 4.32Å; A887-I891 WeakPolarHBondContact O-CG1 3.43Å; A887-I891 PolarHBondContact O-N 2.8Å; L888-I891 PolarHBondContact O-N 3.49Å; L888-I891 VanDerWaalsContact O-N 3.15Å; I891-I928 HydrophobicContact CD1-CG2 4.19Å; I891-A929 HydrophobicContact CG2-CB 4.09Å; I891-L932 HydrophobicContact CD1-CD1 3.97Å
892	L	85.8	Confident	89.6	Confident	86 Å²	86	26.9 Å²	26.9	45%	0.45	13%	0.132	S	C	.	.	H	α-helix	trans	-77.3	-58.7	-176	-60.7	-179.9	0	0	0	112.2	L888 A929	L888-L892 HydrophobicContact CD1-CD1 3.87Å; L888-L892 HydrophobicContact CD1-CG 3.92Å; L888-L892 HydrophobicContact CD2-CD1 4.44Å; L888-L892 HydrophobicContact CG-CD1 3.87Å; L888-L892 HydrophobicContact CG-CG 4.26Å; L888-L892 WeakPolarHBondContact O-CG 3.34Å; L888-L892 PolarHBondContact O-N 3.33Å; L892-A929 HydrophobicContact CD2-CB 4.08Å
893	N	83.3	Confident	90.3	Very high	108 Å²	108	25.8 Å²	25.8	58%	0.578	13%	0.125	S	C	*	.	S	Bend	trans	-97	0.2	-167.7	-59.3	3.1	0	0	0	113	H875 E889 T895	H875-N893 PolarHBondContact ND1-O 3.11Å; E889-N893 WeakPolarHBondContact O-CA 3.36Å; E889-N893 WeakPolarHBondContact O-CB 3.32Å; E889-N893 PolarHBondContact O-N 3.47Å; N893-T895 PolarHBondContact O-N 2.9Å; N893-T895 VanDerWaalsContact O-N 3.13Å
894	R	81.3	Confident	90.8	Very high	86 Å²	86	23.8 Å²	23.8	33%	0.325	12%	0.115	S	C	.	.			trans	53.1	26.6	-171.3	-56.8	-56	-174.6	122.8	-0.4	113.4	H875 E889 S890 Y896	H875-R894 WeakPolarHBondContact CA-O 3.42Å; E889-R894 PolarHBondContact O-N 3.38Å; S890-R894 WeakPolarHBondContact O-CA 3.46Å; R894-Y896 WeakPolarHBondContact O-CD2 3.44Å; R894-Y896 WeakPolarHBondContact O-CE2 3.41Å
895	T	83.2	Confident	91.2	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.049	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126	178.6	-63.7	0	0	0	0	110.6	E873 Y874 H875 E889 S890 N893 T897	E873-T895 HydrophobicContact CB-CG2 4.12Å; E873-T895 HydrophobicContact CG-CG2 4.06Å; E873-T895 WeakPolarHBondContact OE2-CG2 3.43Å; Y874-T895 CarbonylContact O-C 3.58Å; Y874-T895 WeakPolarHBondContact O-CA 3.41Å; H875-T895 PolarHBondContact CE1-OG1 3.11Å; H875-T895 VanDerWaalsContact CE1-OG1 3.28Å; H875-T895 PolarHBondContact ND1-OG1 3.2Å; E889-T895 PolarHBondContact O-N 2.99Å; S890-T895 WeakPolarHBondContact CA-O 3.46Å; S890-T895 VanDerWaalsContact CB-O 3.27Å; S890-T895 WeakPolarHBondContact CB-O 3.42Å; S890-T895 PolarHBondContact OG-O 3.17Å; N893-T895 PolarHBondContact O-N 2.9Å; N893-T895 VanDerWaalsContact O-N 3.13Å; T895-T897 HydrophobicContact CG2-CG2 4.07Å
896	Y	85.6	Confident	91.5	Very high	12 Å²	12	21.7 Å²	21.7	5%	0.047	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.9	176.6	-58.1	-92	0	0	0	111.3	R841 Y874 A876 M886 R894	R841-Y896 HydrophobicContact CB-CD1 3.91Å; R841-Y896 HydrophobicContact CB-CE1 4.16Å; R841-Y896 HydrophobicContact CG-CD1 3.66Å; R841-Y896 HydrophobicContact CG-CE1 4.31Å; R841-Y896 HydrophobicContact CG-CG 4Å; Y874-Y896 HydrophobicContact CD1-CD2 4.19Å; Y874-Y896 PolarHBondContact N-O 3.37Å; Y874-Y896 VanDerWaalsContact N-O 3.16Å; Y874-Y896 PolarHBondContact O-N 2.88Å; A876-Y896 HydrophobicContact CB-CD2 4.35Å; A876-Y896 HydrophobicContact CB-CE2 3.71Å; M886-Y896 HydrophobicContact CE-CE1 3.96Å; R894-Y896 WeakPolarHBondContact O-CD2 3.44Å; R894-Y896 WeakPolarHBondContact O-CE2 3.41Å
897	T	90.8	Very high	91.8	Very high	17 Å²	17	21.5 Å²	21.5	10%	0.104	11%	0.106	C	C	.	.			trans	-142.6	168.5	-177.1	67.1	0	0	0	0	110.9	V839 E873 T895 Q899 S900 D901	V839-T897 WeakPolarHBondContact CG1-O 3.44Å; E873-T897 HydrophobicContact CB-CG2 4.4Å; E873-T897 HydrophobicContact CG-CG2 3.81Å; T895-T897 HydrophobicContact CG2-CG2 4.07Å; T897-Q899 PolarHBondContact O-N 3.49Å; T897-Q899 PolarHBondContact OG1-N 2.89Å; T897-S900 PolarHBondContact N-OG 3.32Å; T897-S900 WeakPolarHBondContact O-CB 3.31Å; T897-S900 PolarHBondContact O-N 3.48Å; T897-S900 PolarHBondContact O-OG 3.07Å; T897-S900 PolarHBondContact OG1-N 3.1Å; T897-S900 VanDerWaalsContact OG1-N 3.1Å; T897-D901 PolarHBondContact O-N 3.29Å
898	H	93.1	Very high	92	Very high	29 Å²	29	21.5 Å²	21.5	13%	0.134	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-31.1	169.7	-58	-54.8	0	0	0	112.6	E834 L838 S900 D901 V902	E834-H898 HydrophobicContact CG-CB 4.23Å; L838-H898 PolarHBondContact O-CE1 3.19Å; L838-H898 VanDerWaalsContact O-CE1 3.29Å; L838-H898 PolarHBondContact O-ND1 2.97Å; H898-S900 VanDerWaalsContact C-N 3.34Å; H898-S900 PolarHBondContact O-N 3.15Å; H898-D901 WeakPolarHBondContact O-CB 3.46Å; H898-D901 PolarHBondContact O-N 3.03Å; H898-V902 WeakPolarHBondContact O-CG2 3.13Å; H898-V902 PolarHBondContact O-N 3.37Å
899	Q	95.6	Very high	92.3	Very high	16 Å²	16	20.8 Å²	20.8	8%	0.075	10%	0.102	C	C	.	.	H	α-helix	trans	-72.9	-23.9	175.9	-56.9	-60.5	82.7	0	0	113	T897 W903 A960 R963	T897-Q899 PolarHBondContact O-N 3.49Å; T897-Q899 PolarHBondContact OG1-N 2.89Å; Q899-W903 PolarHBondContact O-N 3.29Å; Q899-A960 HydrophobicContact CB-CB 3.94Å; Q899-A960 HydrophobicContact CG-CB 4.46Å; Q899-A960 WeakPolarHBondContact CG-O 3.27Å; Q899-A960 PolarHBondContact NE2-O 2.89Å; Q899-R963 PolarHBondContact NE2-O 2.84Å; Q899-R963 WeakPolarHBondContact O-CD 3.11Å; Q899-R963 PolarHBondContact O-NH1 2.97Å
900	S	94.1	Very high	92.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-74.8	-31.1	168.6	74.7	0	0	0	0	112.6	S890 T897 H898 W903 S904	S890-S900 VanDerWaalsContact OG-CB 3.31Å; S890-S900 WeakPolarHBondContact OG-CB 3.26Å; T897-S900 PolarHBondContact N-OG 3.32Å; T897-S900 WeakPolarHBondContact O-CB 3.31Å; T897-S900 PolarHBondContact O-N 3.48Å; T897-S900 PolarHBondContact O-OG 3.07Å; T897-S900 PolarHBondContact OG1-N 3.1Å; T897-S900 VanDerWaalsContact OG1-N 3.1Å; H898-S900 VanDerWaalsContact C-N 3.34Å; H898-S900 PolarHBondContact O-N 3.15Å; S900-W903 PolarHBondContact O-N 3.33Å; S900-S904 PolarHBondContact O-N 3.29Å; S900-S904 PolarHBondContact O-OG 3.48Å
901	D	95.6	Very high	93	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-68.7	-35.1	169.3	-80.7	-23.6	0	0	0	111.5	M830 V839 H840 R841 T897 H898 W903 S904 Y905 F966	M830-D901 HydrophobicContact CE-CB 3.63Å; M830-D901 WeakPolarHBondContact CE-OD2 3.49Å; V839-D901 WeakPolarHBondContact CA-OD2 3.15Å; H840-D901 PolarHBondContact N-OD1 2.69Å; H840-D901 PolarHBondContact N-OD2 3.12Å; R841-D901 PolarHBondContact N-OD1 2.85Å; T897-D901 PolarHBondContact O-N 3.29Å; H898-D901 WeakPolarHBondContact O-CB 3.46Å; H898-D901 PolarHBondContact O-N 3.03Å; D901-W903 VanDerWaalsContact C-N 3.34Å; D901-W903 PolarHBondContact O-N 2.98Å; D901-S904 CarbonylContact O-C 3.48Å; D901-S904 WeakPolarHBondContact O-CB 3.43Å; D901-S904 PolarHBondContact O-N 2.85Å; D901-Y905 WeakPolarHBondContact O-CB 3.2Å; D901-Y905 PolarHBondContact O-N 2.8Å; D901-F966 HydrophobicContact CB-CE2 4.09Å; D901-F966 HydrophobicContact CB-CZ 4.06Å
902	V	98.1	Very high	93.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-41.3	174.1	167.8	0	0	0	0	111.6	H898 Y905 G906 C955 R963 P964 F966 L969	H898-V902 WeakPolarHBondContact O-CG2 3.13Å; H898-V902 PolarHBondContact O-N 3.37Å; V902-Y905 WeakPolarHBondContact O-CB 3.16Å; V902-Y905 PolarHBondContact O-N 3.11Å; V902-G906 PolarHBondContact O-N 3.13Å; V902-C955 HydrophobicContact CG1-CB 4.07Å; V902-C955 WeakPolarHBondContact O-CB 3.39Å; V902-R963 HydrophobicContact CG1-CB 3.98Å; V902-P964 HydrophobicContact CG1-CG 4.5Å; V902-P964 WeakPolarHBondContact CG1-O 3.44Å; V902-P964 WeakPolarHBondContact CG2-O 3.38Å; V902-F966 HydrophobicContact CB-CZ 4.39Å; V902-F966 HydrophobicContact CG2-CD2 4Å; V902-F966 HydrophobicContact CG2-CE1 4.25Å; V902-F966 HydrophobicContact CG2-CE2 3.58Å; V902-F966 HydrophobicContact CG2-CG 4.49Å; V902-F966 HydrophobicContact CG2-CZ 3.73Å; V902-L969 HydrophobicContact CG1-CD1 4.21Å; V902-L969 HydrophobicContact CG2-CD1 4.5Å
903	W	97.8	Very high	93.9	Very high	1 Å²	1	14.7 Å²	14.7	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-61.4	-46.9	173	-179.5	-69	0	0	0	111.6	M886 A887 Q899 S900 D901 Y905 G906 V907 L932 C955 W956	M886-W903 PolarHBondContact O-NE1 3.33Å; A887-W903 HydrophobicContact CB-CB 3.76Å; A887-W903 HydrophobicContact CB-CD2 3.84Å; A887-W903 HydrophobicContact CB-CE3 4.11Å; A887-W903 HydrophobicContact CB-CG 3.68Å; Q899-W903 PolarHBondContact O-N 3.29Å; S900-W903 PolarHBondContact O-N 3.33Å; D901-W903 VanDerWaalsContact C-N 3.34Å; D901-W903 PolarHBondContact O-N 2.98Å; W903-Y905 VanDerWaalsContact C-N 3.28Å; W903-Y905 PolarHBondContact O-N 2.87Å; W903-G906 WeakPolarHBondContact O-CA 3.23Å; W903-G906 PolarHBondContact O-N 3.44Å; W903-V907 PolarHBondContact O-N 2.69Å; W903-L932 HydrophobicContact CH2-CD1 4.37Å; W903-L932 HydrophobicContact CH2-CD2 4.03Å; W903-L932 HydrophobicContact CZ2-CD1 3.76Å; W903-L932 HydrophobicContact CZ2-CD2 3.63Å; W903-L932 HydrophobicContact CZ2-CG 4.29Å; W903-C955 VanDerWaalsContact CA-O 3.31Å; W903-C955 WeakPolarHBondContact CA-O 3.45Å; W903-W956 HydrophobicContact CD2-CB 4.42Å; W903-W956 AromaticContact CD2-CD1 3.77Å; W903-W956 HydrophobicContact CD2-CG 4.47Å; W903-W956 AromaticContact CE2-CD1 3.87Å; W903-W956 HydrophobicContact CE3-CB 4.19Å; W903-W956 AromaticContact CG-CD1 3.88Å; W903-W956 HydrophobicContact CH2-CB 4.24Å; W903-W956 HydrophobicContact CZ2-CB 4.46Å; W903-W956 HydrophobicContact CZ3-CB 4.1Å; W903-W956 VanDerWaalsContact CZ3-O 3.32Å; W903-W956 WeakPolarHBondContact CZ3-O 3.14Å; W903-W956 PolarHBondContact O-NE1 2.71Å
904	S	96.8	Very high	94.5	Very high	4 Å²	4	10.3 Å²	10.3	3%	0.028	5%	0.047	C	C	.	.	H	α-helix	trans	-61.6	-35.6	177.4	-52.8	0	0	0	0	112	W885 S900 D901 V907 T908	W885-S904 WeakPolarHBondContact O-CA 3.41Å; W885-S904 PolarHBondContact O-OG 2.9Å; S900-S904 PolarHBondContact O-N 3.29Å; S900-S904 PolarHBondContact O-OG 3.48Å; D901-S904 CarbonylContact O-C 3.48Å; D901-S904 WeakPolarHBondContact O-CB 3.43Å; D901-S904 PolarHBondContact O-N 2.85Å; S904-V907 PolarHBondContact O-N 3.29Å; S904-T908 WeakPolarHBondContact O-CB 3.41Å; S904-T908 PolarHBondContact O-N 3.19Å; S904-T908 PolarHBondContact O-OG1 3.36Å
905	Y	98.3	Very high	95	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-64.3	-43.5	170.3	173.3	-93.4	0	0	0	111.6	C823 I826 A827 L843 D901 V902 W903 V907 T908 V909 F966 L969 F973	C823-Y905 PolarHBondContact O-OH 3.11Å; I826-Y905 HydrophobicContact CB-CE2 4.14Å; I826-Y905 HydrophobicContact CG2-CD2 3.79Å; I826-Y905 HydrophobicContact CG2-CE2 3.9Å; A827-Y905 HydrophobicContact CB-CE2 3.97Å; L843-Y905 HydrophobicContact CD2-CD2 4.35Å; D901-Y905 WeakPolarHBondContact O-CB 3.2Å; D901-Y905 PolarHBondContact O-N 2.8Å; V902-Y905 WeakPolarHBondContact O-CB 3.16Å; V902-Y905 PolarHBondContact O-N 3.11Å; W903-Y905 VanDerWaalsContact C-N 3.28Å; W903-Y905 PolarHBondContact O-N 2.87Å; Y905-V907 VanDerWaalsContact C-N 3.32Å; Y905-V907 PolarHBondContact O-N 3.28Å; Y905-T908 CarbonylContact O-C 3.58Å; Y905-T908 WeakPolarHBondContact O-CA 3.42Å; Y905-T908 WeakPolarHBondContact O-CB 3.39Å; Y905-T908 PolarHBondContact O-N 3.46Å; Y905-T908 VanDerWaalsContact O-N 3.09Å; Y905-V909 HydrophobicContact CD1-CG2 4.06Å; Y905-V909 HydrophobicContact CD2-CG2 4.38Å; Y905-V909 HydrophobicContact CE1-CG2 3.54Å; Y905-V909 HydrophobicContact CE2-CG2 3.91Å; Y905-V909 HydrophobicContact CG-CG2 4.45Å; Y905-V909 VanDerWaalsContact CZ-CG2 3.44Å; Y905-V909 WeakPolarHBondContact O-CG2 3.3Å; Y905-V909 PolarHBondContact O-N 3.32Å; Y905-F966 HydrophobicContact CD1-CE1 4.4Å; Y905-F966 HydrophobicContact CD2-CE1 4.07Å; Y905-F966 AromaticContact CG-CE1 3.8Å; Y905-F966 HydrophobicContact CG-CE1 3.8Å; Y905-L969 HydrophobicContact CD1-CD1 3.76Å; Y905-L969 HydrophobicContact CE1-CB 4.37Å; Y905-L969 HydrophobicContact CE1-CD1 3.89Å; Y905-L969 HydrophobicContact CE1-CD2 4.2Å; Y905-L969 HydrophobicContact CE1-CG 4.39Å; Y905-F973 HydrophobicContact CE1-CD2 4.4Å; Y905-F973 AromaticContact CE1-CE2 3.84Å; Y905-F973 HydrophobicContact CE1-CE2 3.84Å; Y905-F973 WeakPolarHBondContact OH-CD2 3.28Å; Y905-F973 VanDerWaalsContact OH-CE2 3.29Å; Y905-F973 WeakPolarHBondContact OH-CE2 3.44Å
906	G	97.9	Very high	95.4	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-54.6	-46.3	173.3	0	0	0	0	0	112.4	V902 W903 V909 W910 W956	V902-G906 PolarHBondContact O-N 3.13Å; W903-G906 WeakPolarHBondContact O-CA 3.23Å; W903-G906 PolarHBondContact O-N 3.44Å; G906-V909 PolarHBondContact O-N 2.77Å; G906-W910 PolarHBondContact O-N 2.87Å; G906-W956 WeakPolarHBondContact O-CZ2 3.48Å
907	V	97.8	Very high	95.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.7	-40.8	174.6	-177.1	0	0	0	0	111.4	W885 W903 S904 Y905 V909 W910 E911 P919 L938 W956	W885-V907 VanDerWaalsContact CD1-CG1 3.47Å; W885-V907 HydrophobicContact CG-CG1 3.99Å; W903-V907 PolarHBondContact O-N 2.69Å; S904-V907 PolarHBondContact O-N 3.29Å; Y905-V907 VanDerWaalsContact C-N 3.32Å; Y905-V907 PolarHBondContact O-N 3.28Å; V907-V909 PolarHBondContact O-N 3.19Å; V907-W910 WeakPolarHBondContact O-CA 3.41Å; V907-W910 WeakPolarHBondContact O-CB 3.5Å; V907-W910 PolarHBondContact O-N 3.28Å; V907-W910 VanDerWaalsContact O-N 3.13Å; V907-E911 PolarHBondContact O-N 2.86Å; V907-P919 HydrophobicContact CG1-CB 3.93Å; V907-P919 HydrophobicContact CG1-CG 3.62Å; V907-L938 HydrophobicContact CG1-CD1 4.05Å; V907-L938 HydrophobicContact CG2-CD1 4.21Å; V907-W956 HydrophobicContact CG2-CZ2 4.36Å
908	T	97.6	Very high	95.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.8	-41.4	176.4	-58.7	0	0	0	0	112.2	I826 L843 A844 S904 Y905 W910 E911 L912	I826-T908 HydrophobicContact CD1-CG2 4.28Å; L843-T908 PolarHBondContact O-OG1 2.69Å; A844-T908 WeakPolarHBondContact CA-OG1 3.21Å; S904-T908 WeakPolarHBondContact O-CB 3.41Å; S904-T908 PolarHBondContact O-N 3.19Å; S904-T908 PolarHBondContact O-OG1 3.36Å; Y905-T908 CarbonylContact O-C 3.58Å; Y905-T908 WeakPolarHBondContact O-CA 3.42Å; Y905-T908 WeakPolarHBondContact O-CB 3.39Å; Y905-T908 PolarHBondContact O-N 3.46Å; Y905-T908 VanDerWaalsContact O-N 3.09Å; T908-W910 VanDerWaalsContact C-N 3.32Å; T908-W910 PolarHBondContact O-N 2.64Å; T908-E911 WeakPolarHBondContact O-CB 3.33Å; T908-E911 PolarHBondContact O-N 3.08Å; T908-L912 WeakPolarHBondContact O-CG 3.37Å; T908-L912 PolarHBondContact O-N 3.42Å; T908-L912 VanDerWaalsContact O-N 3.12Å
909	V	98.1	Very high	95.6	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.012	6%	0.055	C	C	.	.	H	α-helix	trans	-65.3	-38.1	174.5	-179.9	0	0	0	0	110.4	Y905 G906 V907 L912 M913 M952 F973	Y905-V909 HydrophobicContact CD1-CG2 4.06Å; Y905-V909 HydrophobicContact CD2-CG2 4.38Å; Y905-V909 HydrophobicContact CE1-CG2 3.54Å; Y905-V909 HydrophobicContact CE2-CG2 3.91Å; Y905-V909 HydrophobicContact CG-CG2 4.45Å; Y905-V909 VanDerWaalsContact CZ-CG2 3.44Å; Y905-V909 WeakPolarHBondContact O-CG2 3.3Å; Y905-V909 PolarHBondContact O-N 3.32Å; G906-V909 PolarHBondContact O-N 2.77Å; V907-V909 PolarHBondContact O-N 3.19Å; V909-L912 PolarHBondContact O-N 2.53Å; V909-M913 HydrophobicContact CG1-CE 4.06Å; V909-M913 HydrophobicContact CG1-CG 4.21Å; V909-M913 VanDerWaalsContact O-CG 3.32Å; V909-M913 WeakPolarHBondContact O-CG 3.25Å; V909-M913 PolarHBondContact O-N 3.36Å; V909-M952 HydrophobicContact CB-CE 4.43Å; V909-M952 HydrophobicContact CG1-CE 3.69Å; V909-F973 HydrophobicContact CG1-CE1 4.17Å; V909-F973 HydrophobicContact CG1-CZ 3.93Å; V909-F973 HydrophobicContact CG2-CZ 4.26Å
910	W	98	Very high	95.3	Very high	16 Å²	16	10.5 Å²	10.5	6%	0.061	6%	0.055	C	C	.	.	H	α-helix	trans	-62.8	-40.9	173.8	-173.3	95.2	0	0	0	112.6	G906 V907 T908 L912 M913 T914 T917 P919 L938 P939 P941 M952 W956	G906-W910 PolarHBondContact O-N 2.87Å; V907-W910 WeakPolarHBondContact O-CA 3.41Å; V907-W910 WeakPolarHBondContact O-CB 3.5Å; V907-W910 PolarHBondContact O-N 3.28Å; V907-W910 VanDerWaalsContact O-N 3.13Å; T908-W910 VanDerWaalsContact C-N 3.32Å; T908-W910 PolarHBondContact O-N 2.64Å; W910-L912 VanDerWaalsContact C-N 3.33Å; W910-L912 PolarHBondContact O-N 3.42Å; W910-M913 PolarHBondContact O-N 2.97Å; W910-T914 HydrophobicContact CD2-CG2 3.91Å; W910-T914 HydrophobicContact CE3-CG2 4.23Å; W910-T914 HydrophobicContact CG-CG2 4.49Å; W910-T914 HydrophobicContact CH2-CG2 4.14Å; W910-T914 HydrophobicContact CZ2-CG2 3.8Å; W910-T914 HydrophobicContact CZ3-CG2 4.33Å; W910-T914 WeakPolarHBondContact O-CB 3.37Å; W910-T914 WeakPolarHBondContact O-CG2 2.96Å; W910-T914 PolarHBondContact O-N 2.96Å; W910-T914 PolarHBondContact O-OG1 3.41Å; W910-T917 HydrophobicContact CH2-CG2 3.99Å; W910-T917 HydrophobicContact CZ3-CG2 4.41Å; W910-T917 WeakPolarHBondContact CZ3-O 3.29Å; W910-P919 HydrophobicContact CE3-CG 4.33Å; W910-P919 HydrophobicContact CZ3-CB 4.39Å; W910-P919 HydrophobicContact CZ3-CG 4.23Å; W910-L938 HydrophobicContact CB-CD1 4.18Å; W910-L938 HydrophobicContact CD2-CB 4.12Å; W910-L938 HydrophobicContact CD2-CD1 3.8Å; W910-L938 HydrophobicContact CD2-CD2 4.48Å; W910-L938 HydrophobicContact CD2-CG 4.35Å; W910-L938 HydrophobicContact CE3-CD1 4.01Å; W910-L938 HydrophobicContact CG-CB 4.12Å; W910-L938 HydrophobicContact CG-CD1 3.87Å; W910-L938 HydrophobicContact CH2-CD2 4.31Å; W910-L938 HydrophobicContact CZ2-CB 4.36Å; W910-L938 HydrophobicContact CZ2-CD2 4.23Å; W910-L938 HydrophobicContact CZ3-CD2 4.46Å; W910-P939 PolarHBondContact NE1-O 3.07Å; W910-P941 HydrophobicContact CG-CG 4.32Å; W910-M952 HydrophobicContact CB-SD 4.4Å; W910-W956 HydrophobicContact CB-CH2 4.1Å; W910-W956 HydrophobicContact CB-CZ2 4.11Å; W910-W956 AromaticContact CD1-CH2 3.99Å; W910-W956 HydrophobicContact CG-CH2 4.25Å
911	E	97	Very high	95	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-57	-44.9	171.5	-70.8	-177.3	100.9	0	0	111.3	A845 W885 V907 T908 T914 F915 G916 P919	A845-E911 HydrophobicContact CB-CB 3.94Å; A845-E911 HydrophobicContact CB-CG 4.46Å; A845-E911 WeakPolarHBondContact CB-OE2 3.1Å; A845-E911 PolarHBondContact N-OE2 3.04Å; W885-E911 WeakPolarHBondContact CZ2-OE1 3.42Å; W885-E911 VanDerWaalsContact NE1-CD 3.27Å; W885-E911 PolarHBondContact NE1-OE2 2.87Å; V907-E911 PolarHBondContact O-N 2.86Å; T908-E911 WeakPolarHBondContact O-CB 3.33Å; T908-E911 PolarHBondContact O-N 3.08Å; E911-T914 PolarHBondContact O-N 3.21Å; E911-T914 PolarHBondContact O-OG1 3.41Å; E911-F915 PolarHBondContact O-N 3.02Å; E911-G916 PolarHBondContact O-N 3.27Å; E911-P919 HydrophobicContact CG-CG 3.96Å
912	L	96.7	Very high	94.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-47.5	178.8	-63.4	179	0	0	0	112.2	L803 V807 L819 W822 I826 T908 V909 W910 T914 F915	L803-L912 HydrophobicContact CD1-CD2 4.41Å; L803-L912 HydrophobicContact CD2-CD1 4.32Å; L803-L912 HydrophobicContact CD2-CD2 3.52Å; L803-L912 HydrophobicContact CG-CD2 3.65Å; V807-L912 HydrophobicContact CG1-CD2 4.01Å; L819-L912 HydrophobicContact CD2-CB 4.32Å; W822-L912 HydrophobicContact CB-CD1 4.39Å; I826-L912 HydrophobicContact CD1-CD1 3.98Å; T908-L912 WeakPolarHBondContact O-CG 3.37Å; T908-L912 PolarHBondContact O-N 3.42Å; T908-L912 VanDerWaalsContact O-N 3.12Å; V909-L912 PolarHBondContact O-N 2.53Å; W910-L912 VanDerWaalsContact C-N 3.33Å; W910-L912 PolarHBondContact O-N 3.42Å; L912-T914 PolarHBondContact O-N 3.47Å; L912-F915 PolarHBondContact O-N 3.26Å; L912-F915 VanDerWaalsContact O-N 3.08Å
913	M	95.8	Very high	93.7	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-73.3	-12	-177.5	-58.5	-54	175.5	0	0	113.6	L819 L820 V909 W910 P941 I943 C944 V948 M952 L984	L819-M913 HydrophobicContact CB-CE 4.23Å; L819-M913 HydrophobicContact CB-SD 4.05Å; L819-M913 HydrophobicContact CD1-SD 4.08Å; L820-M913 HydrophobicContact CD2-CE 3.97Å; V909-M913 HydrophobicContact CG1-CE 4.06Å; V909-M913 HydrophobicContact CG1-CG 4.21Å; V909-M913 VanDerWaalsContact O-CG 3.32Å; V909-M913 WeakPolarHBondContact O-CG 3.25Å; V909-M913 PolarHBondContact O-N 3.36Å; W910-M913 PolarHBondContact O-N 2.97Å; M913-P941 HydrophobicContact CB-CB 3.85Å; M913-P941 HydrophobicContact CB-CG 3.89Å; M913-I943 HydrophobicContact CB-CD1 4.34Å; M913-I943 HydrophobicContact CB-CG1 4.41Å; M913-I943 WeakPolarHBondContact O-CD1 3.5Å; M913-I943 WeakPolarHBondContact O-CG1 3.34Å; M913-I943 HydrophobicContact SD-CD1 4.25Å; M913-C944 VanDerWaalsContact CB-SG 3.59Å; M913-C944 VanDerWaalsContact CG-SG 3.59Å; M913-V948 HydrophobicContact CE-CG1 4.4Å; M913-M952 HydrophobicContact CB-CE 4.04Å; M913-M952 HydrophobicContact CG-CE 3.67Å; M913-L984 HydrophobicContact CE-CD1 3.94Å; M913-L984 HydrophobicContact CE-CD2 4.13Å; M913-L984 HydrophobicContact SD-CD1 3.65Å; M913-L984 HydrophobicContact SD-CD2 3.62Å; M913-L984 HydrophobicContact SD-CG 4.31Å
914	T	94.9	Very high	92.7	Very high	17 Å²	17	23.2 Å²	23.2	10%	0.104	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	11.7	171.3	60	0	0	0	0	113	W910 E911 L912 G916 T917 P941	W910-T914 HydrophobicContact CD2-CG2 3.91Å; W910-T914 HydrophobicContact CE3-CG2 4.23Å; W910-T914 HydrophobicContact CG-CG2 4.49Å; W910-T914 HydrophobicContact CH2-CG2 4.14Å; W910-T914 HydrophobicContact CZ2-CG2 3.8Å; W910-T914 HydrophobicContact CZ3-CG2 4.33Å; W910-T914 WeakPolarHBondContact O-CB 3.37Å; W910-T914 WeakPolarHBondContact O-CG2 2.96Å; W910-T914 PolarHBondContact O-N 2.96Å; W910-T914 PolarHBondContact O-OG1 3.41Å; E911-T914 PolarHBondContact O-N 3.21Å; E911-T914 PolarHBondContact O-OG1 3.41Å; L912-T914 PolarHBondContact O-N 3.47Å; T914-G916 VanDerWaalsContact C-N 3.28Å; T914-G916 PolarHBondContact O-N 2.78Å; T914-T917 PolarHBondContact O-N 3.21Å; T914-T917 PolarHBondContact O-OG1 3.08Å; T914-T917 WeakPolarHBondContact OG1-CB 3.49Å; T914-T917 PolarHBondContact OG1-N 3.33Å; T914-P941 HydrophobicContact CG2-CB 3.82Å; T914-P941 HydrophobicContact CG2-CG 3.89Å
915	F	93.3	Very high	91.9	Very high	22 Å²	22	25.1 Å²	25.1	10%	0.096	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	42.3	-177.7	-60.4	-87	0	0	0	113.7	K808 K811 I814 L819 E911 L912 I943 I986	K808-F915 WeakPolarHBondContact CG-O 3.5Å; K811-F915 HydrophobicContact CB-CB 4.43Å; K811-F915 HydrophobicContact CB-CD1 4.11Å; K811-F915 HydrophobicContact CB-CG 4.38Å; K811-F915 HydrophobicContact CD-CB 3.9Å; K811-F915 HydrophobicContact CD-CD2 4.3Å; K811-F915 HydrophobicContact CD-CG 4.02Å; K811-F915 HydrophobicContact CG-CB 4.02Å; K811-F915 HydrophobicContact CG-CD1 3.76Å; K811-F915 HydrophobicContact CG-CD2 4.16Å; K811-F915 HydrophobicContact CG-CE1 4.21Å; K811-F915 HydrophobicContact CG-CG 3.72Å; I814-F915 HydrophobicContact CB-CE1 4.14Å; I814-F915 HydrophobicContact CG2-CE1 4.21Å; L819-F915 HydrophobicContact CD1-CE1 4.28Å; L819-F915 HydrophobicContact CD1-CZ 4.13Å; E911-F915 PolarHBondContact O-N 3.02Å; L912-F915 PolarHBondContact O-N 3.26Å; L912-F915 VanDerWaalsContact O-N 3.08Å; F915-I943 HydrophobicContact CE2-CD1 3.92Å; F915-I943 HydrophobicContact CE2-CG2 4.34Å; F915-I943 HydrophobicContact CZ-CD1 4.23Å; F915-I986 HydrophobicContact CZ-CD1 4.34Å
916	G	91.3	Very high	90.9	Very high	7 Å²	7	29.9 Å²	29.9	7%	0.072	19%	0.192	C	C	.	.	S	Bend	trans	85.3	27.3	175.6	0	0	0	0	0	114.9	L804 K808 E911 T914	L804-G916 VanDerWaalsContact CD1-CA 3.42Å; K808-G916 WeakPolarHBondContact CE-O 3.48Å; E911-G916 PolarHBondContact O-N 3.27Å; T914-G916 VanDerWaalsContact C-N 3.28Å; T914-G916 PolarHBondContact O-N 2.78Å
917	T	92.2	Very high	90.3	Very high	68 Å²	68	35 Å²	35	42%	0.417	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-66.6	145	171.6	-57.6	0	0	0	0	110.1	W910 T914 P919	W910-T917 HydrophobicContact CH2-CG2 3.99Å; W910-T917 HydrophobicContact CZ3-CG2 4.41Å; W910-T917 WeakPolarHBondContact CZ3-O 3.29Å; T914-T917 PolarHBondContact O-N 3.21Å; T914-T917 PolarHBondContact O-OG1 3.08Å; T914-T917 WeakPolarHBondContact OG1-CB 3.49Å; T914-T917 PolarHBondContact OG1-N 3.33Å; T917-P919 WeakPolarHBondContact O-CD 3.41Å
918	K	87.9	Confident	89.9	Confident	55 Å²	55	35 Å²	35	24%	0.239	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-71.1	123.9	-178.1	-175.3	161.9	170.1	174.6	0	109.8	D921 Y1021	K918-D921 HydrophobicContact CB-CB 4.13Å; K918-D921 WeakPolarHBondContact CD-OD1 3.46Å; K918-D921 HydrophobicContact CG-CB 4.41Å; K918-D921 PolarHBondContact O-N 2.8Å; K918-Y1021 HydrophobicContact CD-CD1 4.48Å; K918-Y1021 HydrophobicContact CD-CE1 3.65Å; K918-Y1021 VanDerWaalsContact CE-CE1 3.4Å; K918-Y1021 HydrophobicContact CG-CE1 4.25Å
919	P	92.4	Very high	89.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	139.5	175.8	-26.8	36.3	0	0	0	111.7	K884 W885 V907 W910 E911 T917 D921 L938	K884-P919 WeakPolarHBondContact CD-O 3.32Å; K884-P919 PolarHBondContact NZ-O 3.22Å; W885-P919 HydrophobicContact CH2-CG 4.44Å; W885-P919 HydrophobicContact CZ2-CG 3.8Å; V907-P919 HydrophobicContact CG1-CB 3.93Å; V907-P919 HydrophobicContact CG1-CG 3.62Å; W910-P919 HydrophobicContact CE3-CG 4.33Å; W910-P919 HydrophobicContact CZ3-CB 4.39Å; W910-P919 HydrophobicContact CZ3-CG 4.23Å; E911-P919 HydrophobicContact CG-CG 3.96Å; T917-P919 WeakPolarHBondContact O-CD 3.41Å; P919-D921 VanDerWaalsContact C-N 3.27Å; P919-D921 PolarHBondContact O-N 3.04Å; P919-L938 HydrophobicContact CB-CD1 4.24Å; P919-L938 HydrophobicContact CB-CD2 4.14Å
920	Y	90.4	Very high	88.8	Confident	19 Å²	19	36.9 Å²	36.9	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	47.2	-179.1	-56.7	-75.9	0	0	0	112.5	K884 I923 I928 I931 L932 L938	K884-Y920 PolarHBondContact NZ-O 3.23Å; Y920-I923 WeakPolarHBondContact O-CB 3.5Å; Y920-I923 PolarHBondContact O-N 3.42Å; Y920-I928 HydrophobicContact CD2-CD1 4.12Å; Y920-I928 HydrophobicContact CG-CD1 3.87Å; Y920-I931 HydrophobicContact CD1-CD1 3.61Å; Y920-I931 HydrophobicContact CE1-CD1 3.95Å; Y920-I931 HydrophobicContact CG-CD1 4.31Å; Y920-L932 WeakPolarHBondContact OH-CD2 3.39Å; Y920-L938 HydrophobicContact CD1-CD2 3.76Å; Y920-L938 HydrophobicContact CD1-CG 4.5Å; Y920-L938 HydrophobicContact CD2-CD2 3.75Å; Y920-L938 HydrophobicContact CD2-CG 4.37Å; Y920-L938 HydrophobicContact CE1-CD2 3.73Å; Y920-L938 HydrophobicContact CE1-CG 3.97Å; Y920-L938 HydrophobicContact CE2-CD1 4.23Å; Y920-L938 HydrophobicContact CE2-CD2 3.72Å; Y920-L938 HydrophobicContact CE2-CG 3.83Å; Y920-L938 HydrophobicContact CG-CD2 3.76Å; Y920-L938 VanDerWaalsContact N-CD2 3.31Å
921	D	87.3	Confident	88.5	Confident	102 Å²	102	36.8 Å²	36.8	55%	0.545	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	151.7	-172.2	-152.5	6.4	0	0	0	112.7	K918 P919 I923	K918-D921 HydrophobicContact CB-CB 4.13Å; K918-D921 WeakPolarHBondContact CD-OD1 3.46Å; K918-D921 HydrophobicContact CG-CB 4.41Å; K918-D921 PolarHBondContact O-N 2.8Å; P919-D921 VanDerWaalsContact C-N 3.27Å; P919-D921 PolarHBondContact O-N 3.04Å; D921-I923 PolarHBondContact O-N 2.98Å
922	G	82.1	Confident	88.3	Confident	72 Å²	72	36.8 Å²	36.8	74%	0.742	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	-29.6	-169.6	0	0	0	0	0	115.3
923	I	84.3	Confident	88	Confident	48 Å²	48	42.2 Å²	42.2	25%	0.246	26%	0.26	C	S	.	.	S	Bend	trans	-76.7	129.3	-177.1	-52.1	-177.5	0	0	0	111	K884 Y920 D921 E927 I928 I931	K884-I923 WeakPolarHBondContact CE-O 3.48Å; K884-I923 PolarHBondContact NZ-O 3.39Å; Y920-I923 WeakPolarHBondContact O-CB 3.5Å; Y920-I923 PolarHBondContact O-N 3.42Å; D921-I923 PolarHBondContact O-N 2.98Å; I923-E927 HydrophobicContact CG2-CB 3.96Å; I923-I928 HydrophobicContact CB-CD1 4.3Å; I923-I928 HydrophobicContact CG2-CD1 3.92Å; I923-I931 HydrophobicContact CD1-CD1 3.74Å; I923-I931 HydrophobicContact CG2-CD1 4.39Å
924	P	77.8	Confident	87.7	Confident	49 Å²	49	49.4 Å²	49.4	32%	0.318	29%	0.291	S	S	.	.			trans	-61.7	146.1	173.2	-26.8	38.4	0	0	0	113.3	S926 E927	P924-S926 PolarHBondContact O-N 3.23Å; P924-E927 VanDerWaalsContact CG-OE1 3.32Å; P924-E927 WeakPolarHBondContact CG-OE1 3.46Å; P924-E927 PolarHBondContact O-N 3.43Å
925	A	78	Confident	87.3	Confident	45 Å²	45	50.9 Å²	50.9	37%	0.372	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-61.6	-27.7	-177.7	0	0	0	0	0	113.5	I883 E927 I928	I883-A925 HydrophobicContact CB-CB 4.48Å; I883-A925 HydrophobicContact CD1-CB 4.24Å; I883-A925 WeakPolarHBondContact CG2-O 3.38Å; A925-E927 VanDerWaalsContact C-N 3.32Å; A925-E927 PolarHBondContact O-N 3.12Å; A925-I928 WeakPolarHBondContact O-CG1 3.04Å
926	S	78.6	Confident	87.1	Confident	101 Å²	101	54.4 Å²	54.4	71%	0.706	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-66.7	-26.6	175.2	43.5	0	0	0	0	114.3	P924	P924-S926 PolarHBondContact O-N 3.23Å
927	E	85.8	Confident	87.2	Confident	107 Å²	107	56.4 Å²	56.4	50%	0.5	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-90.1	-10.1	-175.5	-70	167.8	-140.5	0	0	112.8	I923 P924 A925 A929 G930 I931	I923-E927 HydrophobicContact CG2-CB 3.96Å; P924-E927 VanDerWaalsContact CG-OE1 3.32Å; P924-E927 WeakPolarHBondContact CG-OE1 3.46Å; P924-E927 PolarHBondContact O-N 3.43Å; A925-E927 VanDerWaalsContact C-N 3.32Å; A925-E927 PolarHBondContact O-N 3.12Å; E927-A929 VanDerWaalsContact C-N 3.33Å; E927-A929 PolarHBondContact O-N 3.31Å; E927-G930 PolarHBondContact O-N 2.9Å; E927-I931 PolarHBondContact O-N 3.5Å
928	I	88.4	Confident	87.4	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-38	-174.6	-59.8	-62.2	0	0	0	112.4	I883 K884 I891 Y920 I923 A925 I931 L932	I883-I928 HydrophobicContact CG2-CB 3.94Å; I883-I928 HydrophobicContact CG2-CG1 4.32Å; I883-I928 HydrophobicContact CG2-CG2 4.16Å; K884-I928 HydrophobicContact CG-CD1 4Å; K884-I928 HydrophobicContact CG-CG1 3.96Å; I891-I928 HydrophobicContact CD1-CG2 4.19Å; Y920-I928 HydrophobicContact CD2-CD1 4.12Å; Y920-I928 HydrophobicContact CG-CD1 3.87Å; I923-I928 HydrophobicContact CB-CD1 4.3Å; I923-I928 HydrophobicContact CG2-CD1 3.92Å; A925-I928 WeakPolarHBondContact O-CG1 3.04Å; I928-I931 HydrophobicContact CD1-CD1 4.06Å; I928-I931 VanDerWaalsContact O-CG1 3.23Å; I928-I931 WeakPolarHBondContact O-CG1 3.36Å; I928-I931 PolarHBondContact O-N 2.82Å; I928-L932 HydrophobicContact CG2-CD1 3.84Å; I928-L932 HydrophobicContact CG2-CG 4.28Å; I928-L932 WeakPolarHBondContact O-CB 3.35Å; I928-L932 VanDerWaalsContact O-CG 3.23Å; I928-L932 WeakPolarHBondContact O-CG 3.39Å; I928-L932 PolarHBondContact O-N 3.26Å; I928-L932 VanDerWaalsContact O-N 3.15Å
929	A	87.1	Confident	87.7	Confident	17 Å²	17	54.8 Å²	54.8	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-52.5	175.3	0	0	0	0	0	111.3	L888 I891 L892 E927 I931 L932 E933	L888-A929 HydrophobicContact CD1-CB 4.38Å; I891-A929 HydrophobicContact CG2-CB 4.09Å; L892-A929 HydrophobicContact CD2-CB 4.08Å; E927-A929 VanDerWaalsContact C-N 3.33Å; E927-A929 PolarHBondContact O-N 3.31Å; A929-I931 VanDerWaalsContact C-N 3.27Å; A929-I931 PolarHBondContact O-N 3.37Å; A929-L932 PolarHBondContact O-N 3.06Å; A929-L932 VanDerWaalsContact O-N 3.07Å; A929-E933 WeakPolarHBondContact O-CG 3.5Å; A929-E933 PolarHBondContact O-N 3.13Å
930	G	86.6	Confident	87.8	Confident	25 Å²	25	58.8 Å²	58.8	26%	0.258	35%	0.347	S	S	.	.	H	α-helix	trans	-70.9	-10.6	-175.4	0	0	0	0	0	115.9	E927 K934	E927-G930 PolarHBondContact O-N 2.9Å; G930-K934 WeakPolarHBondContact O-CD 3.39Å; G930-K934 WeakPolarHBondContact O-CE 3.38Å; G930-K934 VanDerWaalsContact O-CG 3.27Å; G930-K934 WeakPolarHBondContact O-CG 3.02Å; G930-K934 PolarHBondContact O-NZ 3.4Å
931	I	91.3	Very high	88.1	Confident	14 Å²	14	58 Å²	58	7%	0.072	34%	0.344	C	S	.	.	H	α-helix	trans	-91	-37.2	166.1	63.4	173.2	0	0	0	111.4	Y920 I923 E927 I928 A929 E933 K934 G935 E936	Y920-I931 HydrophobicContact CD1-CD1 3.61Å; Y920-I931 HydrophobicContact CE1-CD1 3.95Å; Y920-I931 HydrophobicContact CG-CD1 4.31Å; I923-I931 HydrophobicContact CD1-CD1 3.74Å; I923-I931 HydrophobicContact CG2-CD1 4.39Å; E927-I931 PolarHBondContact O-N 3.5Å; I928-I931 HydrophobicContact CD1-CD1 4.06Å; I928-I931 VanDerWaalsContact O-CG1 3.23Å; I928-I931 WeakPolarHBondContact O-CG1 3.36Å; I928-I931 PolarHBondContact O-N 2.82Å; A929-I931 VanDerWaalsContact C-N 3.27Å; A929-I931 PolarHBondContact O-N 3.37Å; I931-E933 VanDerWaalsContact C-N 3.35Å; I931-E933 PolarHBondContact O-N 3.21Å; I931-K934 PolarHBondContact O-N 3.35Å; I931-G935 PolarHBondContact O-N 3.46Å; I931-E936 HydrophobicContact CB-CB 4.16Å; I931-E936 WeakPolarHBondContact O-CB 3.37Å; I931-E936 PolarHBondContact O-N 2.87Å
932	L	92.3	Very high	88.2	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-66.4	-37.4	178	-71.4	178.3	0	0	0	112.2	L888 I891 W903 Y920 I928 A929 K934 G935 R937	L888-L932 HydrophobicContact CD1-CB 4.14Å; I891-L932 HydrophobicContact CD1-CD1 3.97Å; W903-L932 HydrophobicContact CH2-CD1 4.37Å; W903-L932 HydrophobicContact CH2-CD2 4.03Å; W903-L932 HydrophobicContact CZ2-CD1 3.76Å; W903-L932 HydrophobicContact CZ2-CD2 3.63Å; W903-L932 HydrophobicContact CZ2-CG 4.29Å; Y920-L932 WeakPolarHBondContact OH-CD2 3.39Å; I928-L932 HydrophobicContact CG2-CD1 3.84Å; I928-L932 HydrophobicContact CG2-CG 4.28Å; I928-L932 WeakPolarHBondContact O-CB 3.35Å; I928-L932 VanDerWaalsContact O-CG 3.23Å; I928-L932 WeakPolarHBondContact O-CG 3.39Å; I928-L932 PolarHBondContact O-N 3.26Å; I928-L932 VanDerWaalsContact O-N 3.15Å; A929-L932 PolarHBondContact O-N 3.06Å; A929-L932 VanDerWaalsContact O-N 3.07Å; L932-K934 VanDerWaalsContact C-N 3.34Å; L932-G935 PolarHBondContact O-N 3.06Å; L932-G935 VanDerWaalsContact O-N 3.1Å; L932-R937 PolarHBondContact O-NH1 2.9Å
933	E	89.6	Confident	88.7	Confident	114 Å²	114	57.1 Å²	57.1	53%	0.533	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-36.2	172.6	-73.2	170.5	157.7	0	0	112.7	L888 A929 I931 G935	L888-E933 HydrophobicContact CD1-CG 4.12Å; L888-E933 HydrophobicContact CD2-CG 3.91Å; A929-E933 WeakPolarHBondContact O-CG 3.5Å; A929-E933 PolarHBondContact O-N 3.13Å; I931-E933 VanDerWaalsContact C-N 3.35Å; I931-E933 PolarHBondContact O-N 3.21Å; E933-G935 PolarHBondContact O-N 3.15Å
934	K	89.5	Confident	89.2	Confident	153 Å²	153	55.3 Å²	55.3	67%	0.665	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-3	173.4	-66.5	168.7	-168.2	156.6	0	113.5	G930 I931 L932 E936	G930-K934 WeakPolarHBondContact O-CD 3.39Å; G930-K934 WeakPolarHBondContact O-CE 3.38Å; G930-K934 VanDerWaalsContact O-CG 3.27Å; G930-K934 WeakPolarHBondContact O-CG 3.02Å; G930-K934 PolarHBondContact O-NZ 3.4Å; I931-K934 PolarHBondContact O-N 3.35Å; L932-K934 VanDerWaalsContact C-N 3.34Å; K934-E936 VanDerWaalsContact C-N 3.34Å; K934-E936 HydrophobicContact CB-CG 4.4Å
935	G	86.9	Confident	90	Very high	48 Å²	48	54.6 Å²	54.6	50%	0.495	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	5.4	-175.7	0	0	0	0	0	114.6	I931 L932 E933	I931-G935 PolarHBondContact O-N 3.46Å; L932-G935 PolarHBondContact O-N 3.06Å; L932-G935 VanDerWaalsContact O-N 3.1Å; E933-G935 PolarHBondContact O-N 3.15Å
936	E	90	Very high	90.7	Very high	96 Å²	96	56.8 Å²	56.8	45%	0.449	32%	0.32	S	S	.	.			trans	-67	146.4	175	-60.8	179.1	-141	0	0	110.6	I931 K934	I931-E936 HydrophobicContact CB-CB 4.16Å; I931-E936 WeakPolarHBondContact O-CB 3.37Å; I931-E936 PolarHBondContact O-N 2.87Å; K934-E936 VanDerWaalsContact C-N 3.34Å; K934-E936 HydrophobicContact CB-CG 4.4Å
937	R	93.8	Very high	91.4	Very high	50 Å²	50	55.4 Å²	55.4	19%	0.189	30%	0.304	C	S	.	.			trans	-145.2	165.1	-176.5	-64.9	-62.1	-177.3	-89.2	2.4	110.4	L932 W956	L932-R937 PolarHBondContact O-NH1 2.9Å; R937-W956 HydrophobicContact CB-CE3 4.21Å; R937-W956 PolarHBondContact NE-O 2.97Å; R937-W956 PolarHBondContact NH2-O 3.42Å
938	L	95.3	Very high	91.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-60.4	133.9	173.8	-63.7	169.6	0	0	0	110.6	V907 W910 P919 Y920 Y949 W956	V907-L938 HydrophobicContact CG1-CD1 4.05Å; V907-L938 HydrophobicContact CG2-CD1 4.21Å; W910-L938 HydrophobicContact CB-CD1 4.18Å; W910-L938 HydrophobicContact CD2-CB 4.12Å; W910-L938 HydrophobicContact CD2-CD1 3.8Å; W910-L938 HydrophobicContact CD2-CD2 4.48Å; W910-L938 HydrophobicContact CD2-CG 4.35Å; W910-L938 HydrophobicContact CE3-CD1 4.01Å; W910-L938 HydrophobicContact CG-CB 4.12Å; W910-L938 HydrophobicContact CG-CD1 3.87Å; W910-L938 HydrophobicContact CH2-CD2 4.31Å; W910-L938 HydrophobicContact CZ2-CB 4.36Å; W910-L938 HydrophobicContact CZ2-CD2 4.23Å; W910-L938 HydrophobicContact CZ3-CD2 4.46Å; P919-L938 HydrophobicContact CB-CD1 4.24Å; P919-L938 HydrophobicContact CB-CD2 4.14Å; Y920-L938 HydrophobicContact CD1-CD2 3.76Å; Y920-L938 HydrophobicContact CD1-CG 4.5Å; Y920-L938 HydrophobicContact CD2-CD2 3.75Å; Y920-L938 HydrophobicContact CD2-CG 4.37Å; Y920-L938 HydrophobicContact CE1-CD2 3.73Å; Y920-L938 HydrophobicContact CE1-CG 3.97Å; Y920-L938 HydrophobicContact CE2-CD1 4.23Å; Y920-L938 HydrophobicContact CE2-CD2 3.72Å; Y920-L938 HydrophobicContact CE2-CG 3.83Å; Y920-L938 HydrophobicContact CG-CD2 3.76Å; Y920-L938 VanDerWaalsContact N-CD2 3.31Å; L938-Y949 WeakPolarHBondContact O-CE2 3.35Å; L938-Y949 PolarHBondContact O-OH 2.96Å; L938-W956 HydrophobicContact CB-CH2 3.74Å; L938-W956 HydrophobicContact CB-CZ2 4.39Å; L938-W956 HydrophobicContact CB-CZ3 4.08Å; L938-W956 HydrophobicContact CD1-CH2 4.03Å; L938-W956 HydrophobicContact CD1-CZ2 3.86Å; L938-W956 HydrophobicContact CG-CH2 4.38Å
939	P	94.4	Very high	92.3	Very high	87 Å²	87	52.3 Å²	52.3	57%	0.565	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-71.8	158.2	-175.2	30.1	-36.6	0	0	0	112.5	W910 P941	W910-P939 PolarHBondContact NE1-O 3.07Å; P939-P941 WeakPolarHBondContact O-CD 3.29Å
940	Q	95.4	Very high	92.7	Very high	83 Å²	83	55.8 Å²	55.8	39%	0.388	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-55.8	122.6	177	179.3	169.4	-10.9	0	0	111.9	C944 Y949	Q940-C944 HydrophobicContact CG-CB 4.46Å; Q940-C944 PolarHBondContact NE2-O 3.4Å; Q940-Y949 HydrophobicContact CB-CD1 3.92Å; Q940-Y949 HydrophobicContact CB-CD2 3.85Å; Q940-Y949 HydrophobicContact CB-CE1 4.1Å; Q940-Y949 HydrophobicContact CB-CE2 4.02Å; Q940-Y949 HydrophobicContact CB-CG 3.8Å; Q940-Y949 HydrophobicContact CG-CD1 4.23Å; Q940-Y949 HydrophobicContact CG-CD2 4.24Å; Q940-Y949 HydrophobicContact CG-CG 3.88Å
941	P	95.3	Very high	93.2	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.013	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-62	138.3	175.7	-25.6	36.2	0	0	0	111.7	W910 M913 T914 P939 I943 C944 M952	W910-P941 HydrophobicContact CG-CG 4.32Å; M913-P941 HydrophobicContact CB-CB 3.85Å; M913-P941 HydrophobicContact CB-CG 3.89Å; T914-P941 HydrophobicContact CG2-CB 3.82Å; T914-P941 HydrophobicContact CG2-CG 3.89Å; P939-P941 WeakPolarHBondContact O-CD 3.29Å; P941-I943 PolarHBondContact O-N 2.04Å; P941-C944 HydrophobicContact CB-CB 4.36Å; P941-C944 WeakPolarHBondContact O-CB 3.47Å; P941-C944 PolarHBondContact O-N 3.44Å; P941-M952 HydrophobicContact CG-CE 4.07Å; P941-M952 HydrophobicContact CG-SD 4.29Å
942	P	89.1	Confident	93.5	Very high	133 Å²	133	54.8 Å²	54.8	86%	0.864	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.9	-173.1	-28.2	35.8	0	0	0	116.2
943	I	92.9	Very high	93.7	Very high	24 Å²	24	56.6 Å²	56.6	12%	0.123	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.7	175.6	67.5	170.5	0	0	0	113	L819 M913 F915 P941 L984 V985 I986	L819-I943 HydrophobicContact CD1-CD1 3.73Å; M913-I943 HydrophobicContact CB-CD1 4.34Å; M913-I943 HydrophobicContact CB-CG1 4.41Å; M913-I943 WeakPolarHBondContact O-CD1 3.5Å; M913-I943 WeakPolarHBondContact O-CG1 3.34Å; M913-I943 HydrophobicContact SD-CD1 4.25Å; F915-I943 HydrophobicContact CE2-CD1 3.92Å; F915-I943 HydrophobicContact CE2-CG2 4.34Å; F915-I943 HydrophobicContact CZ-CD1 4.23Å; P941-I943 PolarHBondContact O-N 2.04Å; I943-L984 HydrophobicContact CD1-CD2 4.48Å; I943-L984 HydrophobicContact CG1-CD2 4.39Å; I943-L984 CarbonylContact O-C 3.28Å; I943-L984 VanDerWaalsContact O-CA 3.25Å; I943-L984 WeakPolarHBondContact O-CA 3.13Å; I943-V985 PolarHBondContact O-N 3.16Å; I943-I986 HydrophobicContact CB-CG1 4.24Å; I943-I986 HydrophobicContact CD1-CD1 4.19Å; I943-I986 HydrophobicContact CD1-CG1 4.35Å; I943-I986 HydrophobicContact CG2-CG1 4.18Å
944	C	94.9	Very high	94	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.061	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-85.4	134.9	-174	-74.5	0	0	0	0	112	M913 Q940 P941 V948	M913-C944 VanDerWaalsContact CB-SG 3.59Å; M913-C944 VanDerWaalsContact CG-SG 3.59Å; Q940-C944 HydrophobicContact CG-CB 4.46Å; Q940-C944 PolarHBondContact NE2-O 3.4Å; P941-C944 HydrophobicContact CB-CB 4.36Å; P941-C944 WeakPolarHBondContact O-CB 3.47Å; P941-C944 PolarHBondContact O-N 3.44Å; C944-V948 HydrophobicContact CB-CB 4.25Å
945	T	95.1	Very high	94.4	Very high	34 Å²	34	49 Å²	49	21%	0.209	27%	0.268	C	S	.	.			trans	-69.9	164.3	157.7	57	0	0	0	0	111.7	D947 V948 Y949 R982 Y983 V985	T945-D947 PolarHBondContact O-N 2.75Å; T945-V948 PolarHBondContact O-N 3.02Å; T945-Y949 PolarHBondContact O-N 2.99Å; T945-R982 VanDerWaalsContact CG2-O 3.29Å; T945-R982 WeakPolarHBondContact CG2-O 3.44Å; T945-Y983 PolarHBondContact N-O 3.42Å; T945-Y983 WeakPolarHBondContact OG1-CA 3.32Å; T945-Y983 PolarHBondContact OG1-O 2.92Å; T945-V985 HydrophobicContact CG2-CG2 4.43Å
946	I	92.1	Very high	94.9	Very high	92 Å²	92	46.9 Å²	46.9	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-56.8	-34.8	177.1	-171.1	58.4	0	0	0	112.2	V948 Y949 M950	I946-V948 VanDerWaalsContact C-N 3.34Å; I946-V948 PolarHBondContact O-N 3.32Å; I946-Y949 HydrophobicContact CD1-CD1 4.12Å; I946-Y949 PolarHBondContact O-N 3.47Å; I946-M950 HydrophobicContact CD1-CG 4.04Å; I946-M950 HydrophobicContact CD1-SD 4.35Å; I946-M950 HydrophobicContact CG1-CG 4.03Å; I946-M950 WeakPolarHBondContact O-CB 3.43Å; I946-M950 VanDerWaalsContact O-CG 3.28Å; I946-M950 WeakPolarHBondContact O-CG 3.31Å; I946-M950 PolarHBondContact O-N 2.64Å
947	D	93.7	Very high	95.2	Very high	71 Å²	71	46 Å²	46	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-57.8	-44	178.7	-71.7	-13.7	0	0	0	112	T945 M976 Y983	T945-D947 PolarHBondContact O-N 2.75Å; D947-M976 HydrophobicContact CB-CE 4.46Å; D947-Y983 HydrophobicContact CB-CD1 3.89Å; D947-Y983 HydrophobicContact CB-CE1 3.86Å; D947-Y983 WeakPolarHBondContact OD2-CE1 3.46Å
948	V	95	Very high	95	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-71.7	-41.3	179	-175.9	0	0	0	0	110.8	M913 C944 T945 I946 I951 M952 F973 M976 Y983 L984	M913-V948 HydrophobicContact CE-CG1 4.4Å; C944-V948 HydrophobicContact CB-CB 4.25Å; T945-V948 PolarHBondContact O-N 3.02Å; I946-V948 VanDerWaalsContact C-N 3.34Å; I946-V948 PolarHBondContact O-N 3.32Å; V948-I951 PolarHBondContact O-N 3.12Å; V948-M952 HydrophobicContact CG1-CE 4.24Å; V948-M952 PolarHBondContact O-N 3.27Å; V948-F973 HydrophobicContact CG1-CE1 4.44Å; V948-M976 HydrophobicContact CG2-SD 4.07Å; V948-Y983 HydrophobicContact CG2-CD1 4.31Å; V948-Y983 HydrophobicContact CG2-CG 4.5Å; V948-Y983 WeakPolarHBondContact CG2-O 3.23Å; V948-L984 HydrophobicContact CG1-CD2 4.41Å; V948-L984 HydrophobicContact CG2-CD2 4.2Å
949	Y	97.3	Very high	94.8	Very high	43 Å²	43	51.5 Å²	51.5	17%	0.169	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-37.8	178.8	-178	-120.2	0	0	0	112.4	L938 Q940 T945 I946 I951 M952 V953 W956	L938-Y949 WeakPolarHBondContact O-CE2 3.35Å; L938-Y949 PolarHBondContact O-OH 2.96Å; Q940-Y949 HydrophobicContact CB-CD1 3.92Å; Q940-Y949 HydrophobicContact CB-CD2 3.85Å; Q940-Y949 HydrophobicContact CB-CE1 4.1Å; Q940-Y949 HydrophobicContact CB-CE2 4.02Å; Q940-Y949 HydrophobicContact CB-CG 3.8Å; Q940-Y949 HydrophobicContact CG-CD1 4.23Å; Q940-Y949 HydrophobicContact CG-CD2 4.24Å; Q940-Y949 HydrophobicContact CG-CG 3.88Å; T945-Y949 PolarHBondContact O-N 2.99Å; I946-Y949 HydrophobicContact CD1-CD1 4.12Å; I946-Y949 PolarHBondContact O-N 3.47Å; Y949-I951 PolarHBondContact O-N 3.06Å; Y949-M952 HydrophobicContact CD2-SD 3.99Å; Y949-M952 WeakPolarHBondContact O-CA 3.42Å; Y949-M952 WeakPolarHBondContact O-CB 3.47Å; Y949-M952 PolarHBondContact O-N 2.95Å; Y949-V953 HydrophobicContact CD1-CG2 4.14Å; Y949-V953 HydrophobicContact CD2-CG2 4.38Å; Y949-V953 HydrophobicContact CE1-CG2 3.77Å; Y949-V953 HydrophobicContact CE2-CG2 4.05Å; Y949-V953 HydrophobicContact CG-CG2 4.43Å; Y949-V953 WeakPolarHBondContact O-CG2 3.41Å; Y949-V953 PolarHBondContact O-N 3.08Å; Y949-W956 HydrophobicContact CE2-CZ3 4.25Å
950	M	96.2	Very high	94.7	Very high	90 Å²	90	48.6 Å²	48.6	44%	0.443	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-26.4	175.5	-73.8	-58.9	-60.9	0	0	113.1	I946 K954	I946-M950 HydrophobicContact CD1-CG 4.04Å; I946-M950 HydrophobicContact CD1-SD 4.35Å; I946-M950 HydrophobicContact CG1-CG 4.03Å; I946-M950 WeakPolarHBondContact O-CB 3.43Å; I946-M950 VanDerWaalsContact O-CG 3.28Å; I946-M950 WeakPolarHBondContact O-CG 3.31Å; I946-M950 PolarHBondContact O-N 2.64Å; M950-K954 VanDerWaalsContact O-CG 3.29Å; M950-K954 WeakPolarHBondContact O-CG 3.47Å; M950-K954 PolarHBondContact O-N 3.23Å; M950-K954 VanDerWaalsContact O-N 3.08Å
951	I	96.8	Very high	94.5	Very high	16 Å²	16	51.6 Å²	51.6	8%	0.082	28%	0.276	C	S	.	.	H	α-helix	trans	-71	-41.6	169.8	-59.2	-60.5	0	0	0	111.1	V948 Y949 K954 C955 L969 E972 F973 M976	V948-I951 PolarHBondContact O-N 3.12Å; Y949-I951 PolarHBondContact O-N 3.06Å; I951-K954 PolarHBondContact O-N 3.41Å; I951-C955 PolarHBondContact O-N 3.37Å; I951-C955 VanDerWaalsContact O-N 3.12Å; I951-C955 PolarHBondContact O-SG 3.13Å; I951-C955 VanDerWaalsContact O-SG 3.41Å; I951-L969 HydrophobicContact CG2-CD2 3.56Å; I951-E972 HydrophobicContact CD1-CB 4.35Å; I951-E972 HydrophobicContact CD1-CG 4.32Å; I951-F973 HydrophobicContact CB-CZ 4.45Å; I951-F973 HydrophobicContact CG2-CE2 3.59Å; I951-F973 HydrophobicContact CG2-CZ 3.92Å; I951-M976 HydrophobicContact CG1-CE 3.85Å
952	M	97.5	Very high	94.5	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-46.3	173.8	-58.6	167.7	174.6	0	0	111.3	V909 W910 M913 P941 V948 Y949 K954 C955 W956	V909-M952 HydrophobicContact CB-CE 4.43Å; V909-M952 HydrophobicContact CG1-CE 3.69Å; W910-M952 HydrophobicContact CB-SD 4.4Å; M913-M952 HydrophobicContact CB-CE 4.04Å; M913-M952 HydrophobicContact CG-CE 3.67Å; P941-M952 HydrophobicContact CG-CE 4.07Å; P941-M952 HydrophobicContact CG-SD 4.29Å; V948-M952 HydrophobicContact CG1-CE 4.24Å; V948-M952 PolarHBondContact O-N 3.27Å; Y949-M952 HydrophobicContact CD2-SD 3.99Å; Y949-M952 WeakPolarHBondContact O-CA 3.42Å; Y949-M952 WeakPolarHBondContact O-CB 3.47Å; Y949-M952 PolarHBondContact O-N 2.95Å; M952-K954 VanDerWaalsContact C-N 3.33Å; M952-K954 PolarHBondContact O-N 3.1Å; M952-C955 WeakPolarHBondContact O-CA 3.41Å; M952-C955 WeakPolarHBondContact O-CB 3.29Å; M952-C955 PolarHBondContact O-N 2.93Å; M952-W956 HydrophobicContact CB-CE3 4.26Å; M952-W956 HydrophobicContact CB-CH2 3.65Å; M952-W956 HydrophobicContact CB-CZ2 4.05Å; M952-W956 HydrophobicContact CB-CZ3 3.77Å; M952-W956 HydrophobicContact CG-CH2 4.37Å; M952-W956 PolarHBondContact O-N 3.02Å; M952-W956 HydrophobicContact SD-CH2 4.35Å
953	V	96.3	Very high	94.9	Very high	40 Å²	40	48.5 Å²	48.5	24%	0.242	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-39.9	177.9	173.6	0	0	0	0	111.6	Y949 C955 W956 M957	Y949-V953 HydrophobicContact CD1-CG2 4.14Å; Y949-V953 HydrophobicContact CD2-CG2 4.38Å; Y949-V953 HydrophobicContact CE1-CG2 3.77Å; Y949-V953 HydrophobicContact CE2-CG2 4.05Å; Y949-V953 HydrophobicContact CG-CG2 4.43Å; Y949-V953 WeakPolarHBondContact O-CG2 3.41Å; Y949-V953 PolarHBondContact O-N 3.08Å; V953-C955 VanDerWaalsContact C-N 3.31Å; V953-C955 PolarHBondContact O-N 3.04Å; V953-W956 CarbonylContact O-C 3.42Å; V953-W956 WeakPolarHBondContact O-CA 3.17Å; V953-W956 PolarHBondContact O-N 3.33Å; V953-M957 PolarHBondContact O-N 2.87Å
954	K	96.8	Very high	95.1	Very high	106 Å²	106	48.1 Å²	48.1	46%	0.461	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-34	172.8	-78.4	177.8	179	-170.7	0	113.3	M950 I951 M952 W956 M957 P964	M950-K954 VanDerWaalsContact O-CG 3.29Å; M950-K954 WeakPolarHBondContact O-CG 3.47Å; M950-K954 PolarHBondContact O-N 3.23Å; M950-K954 VanDerWaalsContact O-N 3.08Å; I951-K954 PolarHBondContact O-N 3.41Å; M952-K954 VanDerWaalsContact C-N 3.33Å; M952-K954 PolarHBondContact O-N 3.1Å; K954-W956 PolarHBondContact O-N 3.41Å; K954-M957 WeakPolarHBondContact O-CG 3.41Å; K954-P964 HydrophobicContact CB-CG 4.24Å; K954-P964 WeakPolarHBondContact O-CD 3.41Å
955	C	97.9	Very high	95.1	Very high	1 Å²	1	52 Å²	52	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-68.9	-20	171.6	-65.1	0	0	0	0	113	V902 W903 I951 M952 V953	V902-C955 HydrophobicContact CG1-CB 4.07Å; V902-C955 WeakPolarHBondContact O-CB 3.39Å; W903-C955 VanDerWaalsContact CA-O 3.31Å; W903-C955 WeakPolarHBondContact CA-O 3.45Å; I951-C955 PolarHBondContact O-N 3.37Å; I951-C955 VanDerWaalsContact O-N 3.12Å; I951-C955 PolarHBondContact O-SG 3.13Å; I951-C955 VanDerWaalsContact O-SG 3.41Å; M952-C955 WeakPolarHBondContact O-CA 3.41Å; M952-C955 WeakPolarHBondContact O-CB 3.29Å; M952-C955 PolarHBondContact O-N 2.93Å; V953-C955 VanDerWaalsContact C-N 3.31Å; V953-C955 PolarHBondContact O-N 3.04Å
956	W	97.2	Very high	95.3	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.015	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	22.3	-177.7	-51.3	-40.2	0	0	0	114.6	W903 G906 V907 W910 R937 L938 Y949 M952 V953 K954	W903-W956 HydrophobicContact CD2-CB 4.42Å; W903-W956 AromaticContact CD2-CD1 3.77Å; W903-W956 HydrophobicContact CD2-CG 4.47Å; W903-W956 AromaticContact CE2-CD1 3.87Å; W903-W956 HydrophobicContact CE3-CB 4.19Å; W903-W956 AromaticContact CG-CD1 3.88Å; W903-W956 HydrophobicContact CH2-CB 4.24Å; W903-W956 HydrophobicContact CZ2-CB 4.46Å; W903-W956 HydrophobicContact CZ3-CB 4.1Å; W903-W956 VanDerWaalsContact CZ3-O 3.32Å; W903-W956 WeakPolarHBondContact CZ3-O 3.14Å; W903-W956 PolarHBondContact O-NE1 2.71Å; G906-W956 WeakPolarHBondContact O-CZ2 3.48Å; V907-W956 HydrophobicContact CG2-CZ2 4.36Å; W910-W956 HydrophobicContact CB-CH2 4.1Å; W910-W956 HydrophobicContact CB-CZ2 4.11Å; W910-W956 AromaticContact CD1-CH2 3.99Å; W910-W956 HydrophobicContact CG-CH2 4.25Å; R937-W956 HydrophobicContact CB-CE3 4.21Å; R937-W956 PolarHBondContact NE-O 2.97Å; R937-W956 PolarHBondContact NH2-O 3.42Å; L938-W956 HydrophobicContact CB-CH2 3.74Å; L938-W956 HydrophobicContact CB-CZ2 4.39Å; L938-W956 HydrophobicContact CB-CZ3 4.08Å; L938-W956 HydrophobicContact CD1-CH2 4.03Å; L938-W956 HydrophobicContact CD1-CZ2 3.86Å; L938-W956 HydrophobicContact CG-CH2 4.38Å; Y949-W956 HydrophobicContact CE2-CZ3 4.25Å; M952-W956 HydrophobicContact CB-CE3 4.26Å; M952-W956 HydrophobicContact CB-CH2 3.65Å; M952-W956 HydrophobicContact CB-CZ2 4.05Å; M952-W956 HydrophobicContact CB-CZ3 3.77Å; M952-W956 HydrophobicContact CG-CH2 4.37Å; M952-W956 PolarHBondContact O-N 3.02Å; M952-W956 HydrophobicContact SD-CH2 4.35Å; V953-W956 CarbonylContact O-C 3.42Å; V953-W956 WeakPolarHBondContact O-CA 3.17Å; V953-W956 PolarHBondContact O-N 3.33Å; K954-W956 PolarHBondContact O-N 3.41Å
957	M	95.3	Very high	95.5	Very high	78 Å²	78	54.6 Å²	54.6	38%	0.384	27%	0.274	S	S	.	.			trans	-59.7	139.3	167.3	-66.1	-62.3	-68.4	0	0	109.9	V953 K954 D959 R963	V953-M957 PolarHBondContact O-N 2.87Å; K954-M957 WeakPolarHBondContact O-CG 3.41Å; M957-D959 CarbonylContact C-O 3.59Å; M957-R963 HydrophobicContact CB-CG 4.1Å; M957-R963 PolarHBondContact O-NE 3.22Å; M957-R963 PolarHBondContact O-NH2 3.42Å
958	I	90.5	Very high	95.6	Very high	89 Å²	89	55.8 Å²	55.8	46%	0.456	28%	0.277	S	S	.	.	S	Bend	trans	-60.9	-56.7	177.3	-68.2	-70	0	0	0	109.4	L888 A960 R963	L888-I958 HydrophobicContact CD2-CD1 3.79Å; I958-A960 PolarHBondContact O-N 3.27Å; I958-R963 PolarHBondContact O-NH2 3.44Å
959	D	91.5	Very high	95.8	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	28%	0.277	S	S	.	.	S	Bend	trans	-57	133.6	169.8	171.3	36.7	0	0	0	110.7	M957 D961 S962 R963	M957-D959 CarbonylContact C-O 3.59Å; D959-D961 PolarHBondContact OD1-N 3.34Å; D959-D961 VanDerWaalsContact OD1-N 3.11Å; D959-S962 WeakPolarHBondContact OD2-CB 3.18Å; D959-S962 PolarHBondContact OD2-N 3.05Å; D959-S962 PolarHBondContact OD2-OG 3.15Å; D959-R963 WeakPolarHBondContact O-CG 3.4Å; D959-R963 PolarHBondContact O-NE 2.57Å
960	A	92.2	Very high	95.8	Very high	26 Å²	26	55.2 Å²	55.2	22%	0.215	28%	0.276	C	S	.	.	S	Bend	trans	-79.4	-35.6	-178.6	0	0	0	0	0	112.1	Q899 I958 S962 R963	Q899-A960 HydrophobicContact CB-CB 3.94Å; Q899-A960 HydrophobicContact CG-CB 4.46Å; Q899-A960 WeakPolarHBondContact CG-O 3.27Å; Q899-A960 PolarHBondContact NE2-O 2.89Å; I958-A960 PolarHBondContact O-N 3.27Å; A960-S962 VanDerWaalsContact C-N 3.31Å; A960-S962 PolarHBondContact O-N 3.02Å; A960-R963 WeakPolarHBondContact O-CB 3.16Å; A960-R963 PolarHBondContact O-N 3.34Å
961	D	91.4	Very high	95.8	Very high	146 Å²	146	53.8 Å²	53.8	78%	0.781	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.5	-178.8	-75.2	-16.6	0	0	0	111.7	D959 R963	D959-D961 PolarHBondContact OD1-N 3.34Å; D959-D961 VanDerWaalsContact OD1-N 3.11Å; D961-R963 PolarHBondContact O-N 3.44Å
962	S	94.6	Very high	95.8	Very high	66 Å²	66	56 Å²	56	46%	0.462	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.2	169.2	-68.6	0	0	0	0	115.1	D959 A960	D959-S962 WeakPolarHBondContact OD2-CB 3.18Å; D959-S962 PolarHBondContact OD2-N 3.05Å; D959-S962 PolarHBondContact OD2-OG 3.15Å; A960-S962 VanDerWaalsContact C-N 3.31Å; A960-S962 PolarHBondContact O-N 3.02Å
963	R	97.4	Very high	95.8	Very high	4 Å²	4	56 Å²	56	2%	0.015	29%	0.288	C	S	.	.	S	Bend	trans	-89	140.9	-179.7	-56.3	176.8	-163.5	156.9	9.6	111.2	E889 Q899 V902 M957 I958 D959 A960 D961	E889-R963 IonicContact OE1-CZ 3.13Å; E889-R963 IonicContact OE1-NH1 2.61Å; E889-R963 PolarHBondContact OE1-NH1 2.9Å; E889-R963 IonicContact OE1-NH2 3.09Å; E889-R963 PolarHBondContact OE1-NH2 2.8Å; E889-R963 IonicContact OE2-CZ 3.3Å; E889-R963 IonicContact OE2-NH1 3.2Å; E889-R963 IonicContact OE2-NH2 4Å; E889-R963 PolarHBondContact OE2-NH2 3.32Å; Q899-R963 PolarHBondContact NE2-O 2.84Å; Q899-R963 WeakPolarHBondContact O-CD 3.11Å; Q899-R963 PolarHBondContact O-NH1 2.97Å; V902-R963 HydrophobicContact CG1-CB 3.98Å; M957-R963 HydrophobicContact CB-CG 4.1Å; M957-R963 PolarHBondContact O-NE 3.22Å; M957-R963 PolarHBondContact O-NH2 3.42Å; I958-R963 PolarHBondContact O-NH2 3.44Å; D959-R963 WeakPolarHBondContact O-CG 3.4Å; D959-R963 PolarHBondContact O-NE 2.57Å; A960-R963 WeakPolarHBondContact O-CB 3.16Å; A960-R963 PolarHBondContact O-N 3.34Å; D961-R963 PolarHBondContact O-N 3.44Å
964	P	97.4	Very high	95.8	Very high	17 Å²	17	56 Å²	56	11%	0.11	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-73.7	133	-176.2	29.7	-35.5	0	0	0	112.6	V902 K954 E968 L969	V902-P964 HydrophobicContact CG1-CG 4.5Å; V902-P964 WeakPolarHBondContact CG1-O 3.44Å; V902-P964 WeakPolarHBondContact CG2-O 3.38Å; K954-P964 HydrophobicContact CB-CG 4.24Å; K954-P964 WeakPolarHBondContact O-CD 3.41Å; P964-E968 HydrophobicContact CB-CB 4.46Å; P964-L969 HydrophobicContact CB-CD2 4.37Å; P964-L969 HydrophobicContact CB-CG 4.35Å; P964-L969 HydrophobicContact CG-CD1 4.48Å; P964-L969 HydrophobicContact CG-CD2 3.82Å; P964-L969 HydrophobicContact CG-CG 4.15Å
965	H	95.8	Very high	95.8	Very high	90 Å²	90	55.7 Å²	55.7	42%	0.417	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-59.2	155.5	173.1	-72.5	-78.7	0	0	0	112.6	E834 R967 E968 L969	E834-H965 IonicContact OE1-CE1 3.5Å; E834-H965 IonicContact OE1-CG 3.47Å; E834-H965 IonicContact OE1-ND1 3.37Å; E834-H965 PolarHBondContact OE1-ND1 2.92Å; H965-R967 PolarHBondContact O-N 3.22Å; H965-R967 VanDerWaalsContact O-N 3.14Å; H965-E968 WeakPolarHBondContact O-CB 3.43Å; H965-E968 PolarHBondContact O-N 3.05Å; H965-L969 PolarHBondContact O-N 2.87Å
966	F	97.9	Very high	95.6	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-29.6	-179.3	-73.2	-73.2	0	0	0	113.1	M830 N831 E834 D901 V902 Y905 E968 L969 I970	M830-F966 HydrophobicContact CB-CD1 3.48Å; M830-F966 VanDerWaalsContact CB-CD1 3.48Å; M830-F966 HydrophobicContact CB-CD2 3.81Å; M830-F966 HydrophobicContact CB-CE1 3.4Å; M830-F966 HydrophobicContact CB-CE2 3.74Å; M830-F966 HydrophobicContact CB-CG 3.68Å; M830-F966 HydrophobicContact CB-CZ 3.53Å; M830-F966 HydrophobicContact CE-CE2 4.23Å; M830-F966 HydrophobicContact CE-CZ 4.04Å; M830-F966 HydrophobicContact CG-CD1 4.3Å; M830-F966 HydrophobicContact CG-CE1 3.78Å; M830-F966 HydrophobicContact CG-CE2 4.48Å; M830-F966 HydrophobicContact CG-CZ 3.87Å; N831-F966 HydrophobicContact CB-CB 3.78Å; E834-F966 WeakPolarHBondContact OE2-CB 3.43Å; E834-F966 WeakPolarHBondContact OE2-CD2 3.38Å; E834-F966 PolarHBondContact OE2-N 3.37Å; D901-F966 HydrophobicContact CB-CE2 4.09Å; D901-F966 HydrophobicContact CB-CZ 4.06Å; V902-F966 HydrophobicContact CB-CZ 4.39Å; V902-F966 HydrophobicContact CG2-CD2 4Å; V902-F966 HydrophobicContact CG2-CE1 4.25Å; V902-F966 HydrophobicContact CG2-CE2 3.58Å; V902-F966 HydrophobicContact CG2-CG 4.49Å; V902-F966 HydrophobicContact CG2-CZ 3.73Å; Y905-F966 HydrophobicContact CD1-CE1 4.4Å; Y905-F966 HydrophobicContact CD2-CE1 4.07Å; Y905-F966 AromaticContact CG-CE1 3.8Å; Y905-F966 HydrophobicContact CG-CE1 3.8Å; F966-E968 VanDerWaalsContact C-N 3.26Å; F966-E968 PolarHBondContact O-N 2.96Å; F966-L969 HydrophobicContact CD1-CD1 3.9Å; F966-L969 HydrophobicContact CE1-CD1 4.21Å; F966-L969 PolarHBondContact O-N 3.42Å; F966-I970 WeakPolarHBondContact O-CG1 3.46Å; F966-I970 PolarHBondContact O-N 3.44Å
967	R	96.4	Very high	95.4	Very high	180 Å²	180	56.1 Å²	56.1	68%	0.679	29%	0.291	S	S	*	.	H	α-helix	trans	-57.2	-36.7	172.9	-165.5	-178.5	68	-179.7	-2.3	113.2	N831 H965 A971	N831-R967 VanDerWaalsContact OD1-CA 3.28Å; N831-R967 WeakPolarHBondContact OD1-CA 3.36Å; N831-R967 WeakPolarHBondContact OD1-CB 3.35Å; N831-R967 PolarHBondContact OD1-N 3.35Å; H965-R967 PolarHBondContact O-N 3.22Å; H965-R967 VanDerWaalsContact O-N 3.14Å; R967-A971 PolarHBondContact O-N 2.8Å
968	E	97.2	Very high	95.3	Very high	95 Å²	95	62.3 Å²	62.3	44%	0.444	31%	0.311	S	S	.	.	H	α-helix	trans	-80.1	-39.9	179.4	-65.5	175.5	-160.5	0	0	111.4	P964 H965 F966 I970 A971 E972	P964-E968 HydrophobicContact CB-CB 4.46Å; H965-E968 WeakPolarHBondContact O-CB 3.43Å; H965-E968 PolarHBondContact O-N 3.05Å; F966-E968 VanDerWaalsContact C-N 3.26Å; F966-E968 PolarHBondContact O-N 2.96Å; E968-I970 VanDerWaalsContact C-N 3.28Å; E968-I970 PolarHBondContact O-N 3.35Å; E968-A971 WeakPolarHBondContact O-CB 3.33Å; E968-A971 PolarHBondContact O-N 2.92Å; E968-E972 PolarHBondContact O-N 3.33Å
969	L	97.9	Very high	95.3	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-40.1	172.4	-66.1	170	0	0	0	111.3	A827 V902 Y905 I951 P964 H965 F966 A971 F973	A827-L969 HydrophobicContact CB-CB 4.41Å; V902-L969 HydrophobicContact CG1-CD1 4.21Å; V902-L969 HydrophobicContact CG2-CD1 4.5Å; Y905-L969 HydrophobicContact CD1-CD1 3.76Å; Y905-L969 HydrophobicContact CE1-CB 4.37Å; Y905-L969 HydrophobicContact CE1-CD1 3.89Å; Y905-L969 HydrophobicContact CE1-CD2 4.2Å; Y905-L969 HydrophobicContact CE1-CG 4.39Å; I951-L969 HydrophobicContact CG2-CD2 3.56Å; P964-L969 HydrophobicContact CB-CD2 4.37Å; P964-L969 HydrophobicContact CB-CG 4.35Å; P964-L969 HydrophobicContact CG-CD1 4.48Å; P964-L969 HydrophobicContact CG-CD2 3.82Å; P964-L969 HydrophobicContact CG-CG 4.15Å; H965-L969 PolarHBondContact O-N 2.87Å; F966-L969 HydrophobicContact CD1-CD1 3.9Å; F966-L969 HydrophobicContact CE1-CD1 4.21Å; F966-L969 PolarHBondContact O-N 3.42Å; L969-A971 VanDerWaalsContact C-N 3.32Å; L969-A971 PolarHBondContact O-N 3.03Å; L969-F973 HydrophobicContact CD2-CE2 4.32Å; L969-F973 WeakPolarHBondContact O-CB 3.33Å; L969-F973 WeakPolarHBondContact O-CD2 3.46Å; L969-F973 PolarHBondContact O-N 2.81Å
970	I	98.1	Very high	95.3	Very high	29 Å²	29	58.5 Å²	58.5	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-44.4	171.6	-68.3	163.4	0	0	0	110.9	A827 K828 N831 F966 E968 T974	A827-I970 HydrophobicContact CB-CG1 3.68Å; K828-I970 HydrophobicContact CB-CD1 4.4Å; K828-I970 HydrophobicContact CG-CD1 3.79Å; K828-I970 HydrophobicContact CG-CG1 3.9Å; K828-I970 HydrophobicContact CG-CG2 4.18Å; N831-I970 HydrophobicContact CB-CD1 3.56Å; F966-I970 WeakPolarHBondContact O-CG1 3.46Å; F966-I970 PolarHBondContact O-N 3.44Å; E968-I970 VanDerWaalsContact C-N 3.28Å; E968-I970 PolarHBondContact O-N 3.35Å; I970-T974 WeakPolarHBondContact O-CB 3.28Å; I970-T974 PolarHBondContact O-N 2.76Å; I970-T974 PolarHBondContact O-OG1 3.36Å
971	A	96.3	Very high	95.2	Very high	59 Å²	59	60.8 Å²	60.8	49%	0.488	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-50	-177.8	0	0	0	0	0	112	R967 E968 L969 T974 K975	R967-A971 PolarHBondContact O-N 2.8Å; E968-A971 WeakPolarHBondContact O-CB 3.33Å; E968-A971 PolarHBondContact O-N 2.92Å; L969-A971 VanDerWaalsContact C-N 3.32Å; L969-A971 PolarHBondContact O-N 3.03Å; A971-T974 PolarHBondContact O-N 2.96Å; A971-K975 WeakPolarHBondContact O-CB 3.43Å; A971-K975 PolarHBondContact O-N 2.92Å
972	E	96.8	Very high	95.2	Very high	63 Å²	63	60.9 Å²	60.9	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-47	-179.4	-76	-61.6	130.7	0	0	112.4	I951 E968 T974 K975 M976	I951-E972 HydrophobicContact CD1-CB 4.35Å; I951-E972 HydrophobicContact CD1-CG 4.32Å; E968-E972 PolarHBondContact O-N 3.33Å; E972-T974 VanDerWaalsContact C-N 3.3Å; E972-T974 PolarHBondContact O-N 3.47Å; E972-K975 WeakPolarHBondContact O-CB 3.47Å; E972-K975 PolarHBondContact O-N 2.84Å; E972-K975 VanDerWaalsContact O-N 3.15Å; E972-K975 IonicContact OE1-NZ 2.88Å; E972-K975 PolarHBondContact OE1-NZ 3.21Å; E972-K975 IonicContact OE2-NZ 3.66Å; E972-K975 PolarHBondContact OE2-NZ 2.97Å; E972-M976 WeakPolarHBondContact O-CG 3.43Å; E972-M976 PolarHBondContact O-N 3.22Å
973	F	97.1	Very high	95.2	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-30.2	176	-77.2	-75.9	0	0	0	112.6	L820 C823 V824 Y905 V909 V948 I951 L969 M976 A977	L820-F973 HydrophobicContact CD2-CD1 4.08Å; L820-F973 HydrophobicContact CD2-CE1 4.38Å; C823-F973 HydrophobicContact CB-CB 4.41Å; C823-F973 HydrophobicContact CB-CD1 3.67Å; C823-F973 HydrophobicContact CB-CE1 4.03Å; C823-F973 HydrophobicContact CB-CG 3.95Å; V824-F973 HydrophobicContact CG2-CB 3.62Å; V824-F973 WeakPolarHBondContact CG2-O 3.25Å; Y905-F973 HydrophobicContact CE1-CD2 4.4Å; Y905-F973 AromaticContact CE1-CE2 3.84Å; Y905-F973 HydrophobicContact CE1-CE2 3.84Å; Y905-F973 WeakPolarHBondContact OH-CD2 3.28Å; Y905-F973 VanDerWaalsContact OH-CE2 3.29Å; Y905-F973 WeakPolarHBondContact OH-CE2 3.44Å; V909-F973 HydrophobicContact CG1-CE1 4.17Å; V909-F973 HydrophobicContact CG1-CZ 3.93Å; V909-F973 HydrophobicContact CG2-CZ 4.26Å; V948-F973 HydrophobicContact CG1-CE1 4.44Å; I951-F973 HydrophobicContact CB-CZ 4.45Å; I951-F973 HydrophobicContact CG2-CE2 3.59Å; I951-F973 HydrophobicContact CG2-CZ 3.92Å; L969-F973 HydrophobicContact CD2-CE2 4.32Å; L969-F973 WeakPolarHBondContact O-CB 3.33Å; L969-F973 WeakPolarHBondContact O-CD2 3.46Å; L969-F973 PolarHBondContact O-N 2.81Å; F973-M976 HydrophobicContact CD1-SD 4.18Å; F973-M976 HydrophobicContact CE1-SD 4.33Å; F973-M976 PolarHBondContact O-N 2.9Å; F973-A977 WeakPolarHBondContact O-CB 3.16Å; F973-A977 PolarHBondContact O-N 3.42Å
974	T	96.9	Very high	95	Very high	41 Å²	41	58.5 Å²	58.5	25%	0.252	28%	0.275	S	S	.	.	H	α-helix	trans	-70.1	-32.7	173.2	-61.9	0	0	0	0	112	I970 A971 E972 R978	I970-T974 WeakPolarHBondContact O-CB 3.28Å; I970-T974 PolarHBondContact O-N 2.76Å; I970-T974 PolarHBondContact O-OG1 3.36Å; A971-T974 PolarHBondContact O-N 2.96Å; E972-T974 VanDerWaalsContact C-N 3.3Å; E972-T974 PolarHBondContact O-N 3.47Å; T974-R978 WeakPolarHBondContact O-CG 3.18Å
975	K	95.3	Very high	94.6	Very high	99 Å²	99	62.3 Å²	62.3	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-69	-45.6	173	163.1	-174.2	163.5	-149.7	0	110.8	A971 E972 R978	A971-K975 WeakPolarHBondContact O-CB 3.43Å; A971-K975 PolarHBondContact O-N 2.92Å; E972-K975 WeakPolarHBondContact O-CB 3.47Å; E972-K975 PolarHBondContact O-N 2.84Å; E972-K975 VanDerWaalsContact O-N 3.15Å; E972-K975 IonicContact OE1-NZ 2.88Å; E972-K975 PolarHBondContact OE1-NZ 3.21Å; E972-K975 IonicContact OE2-NZ 3.66Å; E972-K975 PolarHBondContact OE2-NZ 2.97Å; K975-R978 PolarHBondContact O-N 3.28Å
976	M	95.4	Very high	94.3	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-41.9	174.9	-65.5	172.7	-180	0	0	112.3	L820 D947 V948 I951 E972 F973 R978 D979 Y983	L820-M976 HydrophobicContact CD1-CB 4.19Å; L820-M976 HydrophobicContact CD2-CB 4.27Å; D947-M976 HydrophobicContact CB-CE 4.46Å; V948-M976 HydrophobicContact CG2-SD 4.07Å; I951-M976 HydrophobicContact CG1-CE 3.85Å; E972-M976 WeakPolarHBondContact O-CG 3.43Å; E972-M976 PolarHBondContact O-N 3.22Å; F973-M976 HydrophobicContact CD1-SD 4.18Å; F973-M976 HydrophobicContact CE1-SD 4.33Å; F973-M976 PolarHBondContact O-N 2.9Å; M976-R978 PolarHBondContact O-N 3.23Å; M976-D979 CarbonylContact O-C 3.56Å; M976-D979 PolarHBondContact O-N 3.26Å; M976-Y983 HydrophobicContact CB-CD1 4.44Å; M976-Y983 HydrophobicContact CB-CD2 3.73Å; M976-Y983 HydrophobicContact CB-CE2 4.13Å; M976-Y983 HydrophobicContact CB-CG 3.91Å; M976-Y983 HydrophobicContact CE-CD1 4.37Å; M976-Y983 HydrophobicContact CE-CE1 4.42Å; M976-Y983 HydrophobicContact CG-CD1 3.8Å; M976-Y983 HydrophobicContact CG-CD2 3.9Å; M976-Y983 HydrophobicContact CG-CE1 3.93Å; M976-Y983 HydrophobicContact CG-CE2 4.04Å; M976-Y983 HydrophobicContact CG-CG 3.78Å; M976-Y983 HydrophobicContact SD-CD1 4.34Å
977	A	92.8	Very high	93.2	Very high	11 Å²	11	68.1 Å²	68.1	9%	0.091	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-3.9	-180	0	0	0	0	0	115.1	Q817 L820 V824 F973	Q817-A977 PolarHBondContact NE2-O 2.97Å; L820-A977 HydrophobicContact CB-CB 4Å; V824-A977 HydrophobicContact CG2-CB 4.46Å; F973-A977 WeakPolarHBondContact O-CB 3.16Å; F973-A977 PolarHBondContact O-N 3.42Å
978	R	92.1	Very high	92.2	Very high	209 Å²	209	61.6 Å²	61.6	79%	0.789	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-21	171.8	-67.3	170.8	-176	-175.6	0.5	113.8	T974 K975 M976	T974-R978 WeakPolarHBondContact O-CG 3.18Å; K975-R978 PolarHBondContact O-N 3.28Å; M976-R978 PolarHBondContact O-N 3.23Å
979	D	91.6	Very high	91.4	Very high	76 Å²	76	58.2 Å²	58.2	41%	0.406	30%	0.299	S	S	.	.	S	Bend	trans	-138.6	61.3	179	-176.1	16.7	0	0	0	110.1	M976 R982 Y983	M976-D979 CarbonylContact O-C 3.56Å; M976-D979 PolarHBondContact O-N 3.26Å; D979-R982 WeakPolarHBondContact O-CB 3.23Å; D979-R982 PolarHBondContact O-N 2.83Å; D979-R982 WeakPolarHBondContact OD2-CB 3.31Å; D979-R982 WeakPolarHBondContact OD2-CD 3.44Å; D979-Y983 HydrophobicContact CB-CE2 4.47Å; D979-Y983 VanDerWaalsContact O-CD2 3.3Å; D979-Y983 WeakPolarHBondContact O-CD2 3.46Å
980	P	91.3	Very high	90	Very high	10 Å²	10	64.9 Å²	64.9	7%	0.065	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-42.1	-168.8	-26.8	36.7	0	0	0	116.6	S816 Q817 L820 R982 Y983 L984	S816-P980 WeakPolarHBondContact OG-CB 3.42Å; Q817-P980 HydrophobicContact CB-CB 4.39Å; Q817-P980 HydrophobicContact CB-CG 4.02Å; Q817-P980 HydrophobicContact CG-CG 4.4Å; L820-P980 HydrophobicContact CD1-CB 3.89Å; L820-P980 HydrophobicContact CD1-CG 4.37Å; P980-R982 PolarHBondContact O-N 3.24Å; P980-Y983 PolarHBondContact O-N 3.26Å; P980-L984 PolarHBondContact O-N 2.77Å
981	P	88.9	Confident	88.2	Confident	74 Å²	74	74.3 Å²	74.3	48%	0.481	37%	0.369	S	S	.	.	H	α-helix	trans	-66	-21.8	-176.8	-22.9	35.6	0	0	0	114.1	Y983	P981-Y983 VanDerWaalsContact C-N 3.28Å
982	R	91.9	Very high	87	Confident	148 Å²	148	73.1 Å²	73.1	56%	0.558	35%	0.353	S	S	*	.	H	α-helix	trans	-66.8	-31.2	171.7	174.4	179	174.2	156.9	3.5	112.2	T945 D979 P980	T945-R982 VanDerWaalsContact CG2-O 3.29Å; T945-R982 WeakPolarHBondContact CG2-O 3.44Å; D979-R982 WeakPolarHBondContact O-CB 3.23Å; D979-R982 PolarHBondContact O-N 2.83Å; D979-R982 WeakPolarHBondContact OD2-CB 3.31Å; D979-R982 WeakPolarHBondContact OD2-CD 3.44Å; P980-R982 PolarHBondContact O-N 3.24Å
983	Y	94	Very high	85.4	Confident	18 Å²	18	76.9 Å²	76.9	7%	0.071	37%	0.37	C	S	.	.	H	α-helix	trans	-103	-33.3	-170.6	-68.7	-70.4	0	0	0	113.3	T945 D947 V948 M976 D979 P980 P981	T945-Y983 PolarHBondContact N-O 3.42Å; T945-Y983 WeakPolarHBondContact OG1-CA 3.32Å; T945-Y983 PolarHBondContact OG1-O 2.92Å; D947-Y983 HydrophobicContact CB-CD1 3.89Å; D947-Y983 HydrophobicContact CB-CE1 3.86Å; D947-Y983 WeakPolarHBondContact OD2-CE1 3.46Å; V948-Y983 HydrophobicContact CG2-CD1 4.31Å; V948-Y983 HydrophobicContact CG2-CG 4.5Å; V948-Y983 WeakPolarHBondContact CG2-O 3.23Å; M976-Y983 HydrophobicContact CB-CD1 4.44Å; M976-Y983 HydrophobicContact CB-CD2 3.73Å; M976-Y983 HydrophobicContact CB-CE2 4.13Å; M976-Y983 HydrophobicContact CB-CG 3.91Å; M976-Y983 HydrophobicContact CE-CD1 4.37Å; M976-Y983 HydrophobicContact CE-CE1 4.42Å; M976-Y983 HydrophobicContact CG-CD1 3.8Å; M976-Y983 HydrophobicContact CG-CD2 3.9Å; M976-Y983 HydrophobicContact CG-CE1 3.93Å; M976-Y983 HydrophobicContact CG-CE2 4.04Å; M976-Y983 HydrophobicContact CG-CG 3.78Å; M976-Y983 HydrophobicContact SD-CD1 4.34Å; D979-Y983 HydrophobicContact CB-CE2 4.47Å; D979-Y983 VanDerWaalsContact O-CD2 3.3Å; D979-Y983 WeakPolarHBondContact O-CD2 3.46Å; P980-Y983 PolarHBondContact O-N 3.26Å; P981-Y983 VanDerWaalsContact C-N 3.28Å
984	L	93.1	Very high	83.8	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-125.4	124.2	175.8	-57.2	177.8	0	0	0	111	L819 L820 M913 I943 V948 P980	L819-L984 HydrophobicContact CB-CD1 3.96Å; L819-L984 HydrophobicContact CD1-CD1 4.06Å; L820-L984 HydrophobicContact CD1-CD1 4.28Å; L820-L984 HydrophobicContact CD1-CG 4.45Å; L820-L984 HydrophobicContact CD2-CD1 4.01Å; L820-L984 HydrophobicContact CD2-CG 4.31Å; L820-L984 HydrophobicContact CG-CD1 3.77Å; L820-L984 HydrophobicContact CG-CG 4.33Å; M913-L984 HydrophobicContact CE-CD1 3.94Å; M913-L984 HydrophobicContact CE-CD2 4.13Å; M913-L984 HydrophobicContact SD-CD1 3.65Å; M913-L984 HydrophobicContact SD-CD2 3.62Å; M913-L984 HydrophobicContact SD-CG 4.31Å; I943-L984 HydrophobicContact CD1-CD2 4.48Å; I943-L984 HydrophobicContact CG1-CD2 4.39Å; I943-L984 CarbonylContact O-C 3.28Å; I943-L984 VanDerWaalsContact O-CA 3.25Å; I943-L984 WeakPolarHBondContact O-CA 3.13Å; V948-L984 HydrophobicContact CG1-CD2 4.41Å; V948-L984 HydrophobicContact CG2-CD2 4.2Å; P980-L984 PolarHBondContact O-N 2.77Å
985	V	90.3	Very high	81.6	Confident	98 Å²	98	80 Å²	80	59%	0.594	39%	0.391	S	S	*	.			trans	-98.6	97.9	-179.3	-175.5	0	0	0	0	109.4	I943 T945	I943-V985 PolarHBondContact O-N 3.16Å; T945-V985 HydrophobicContact CG2-CG2 4.43Å
986	I	88	Confident	79.1	Confident	24 Å²	24	79 Å²	79	12%	0.123	40%	0.396	C	S	.	.			trans	-115.4	131.5	178.7	-58.7	179.6	0	0	0	109.6	L819 F915 I943 G988 D989 M992	L819-I986 HydrophobicContact CD1-CD1 4Å; F915-I986 HydrophobicContact CZ-CD1 4.34Å; I943-I986 HydrophobicContact CB-CG1 4.24Å; I943-I986 HydrophobicContact CD1-CD1 4.19Å; I943-I986 HydrophobicContact CD1-CG1 4.35Å; I943-I986 HydrophobicContact CG2-CG1 4.18Å; I986-G988 PolarHBondContact O-N 3.17Å; I986-D989 HydrophobicContact CB-CB 4.32Å; I986-D989 PolarHBondContact O-N 3.17Å; I986-M992 HydrophobicContact CG2-CE 3.74Å; I986-M992 HydrophobicContact CG2-SD 3.68Å
987	Q	75.9	Confident	76.8	Confident	189 Å²	189	82.4 Å²	82.4	88%	0.883	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	114.4	-179.1	-66.2	-172.4	4.7	0	0	110.8	M992	Q987-M992 WeakPolarHBondContact O-CE 3.34Å
988	G	74.8	Confident	74.4	Confident	43 Å²	43	87.3 Å²	87.3	44%	0.443	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	21.7	178.9	0	0	0	0	0	115.1	I986 D990 R991	I986-G988 PolarHBondContact O-N 3.17Å; G988-D990 VanDerWaalsContact C-N 3.28Å; G988-D990 PolarHBondContact O-N 2.94Å; G988-R991 WeakPolarHBondContact O-CA 3.47Å; G988-R991 WeakPolarHBondContact O-CB 3.47Å; G988-R991 PolarHBondContact O-N 2.93Å
989	D	80.3	Confident	71.9	Confident	24 Å²	24	81.9 Å²	81.9	13%	0.128	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-46.7	-44	-178.4	-161.1	29.8	0	0	0	113.9	G815 S816 I986 R991 M992	G815-D989 WeakPolarHBondContact CA-OD1 3.25Å; S816-D989 VanDerWaalsContact CB-OD2 3.3Å; S816-D989 WeakPolarHBondContact CB-OD2 3.23Å; S816-D989 PolarHBondContact N-OD1 3.44Å; S816-D989 PolarHBondContact OG-OD1 2.89Å; S816-D989 PolarHBondContact OG-OD2 3.13Å; I986-D989 HydrophobicContact CB-CB 4.32Å; I986-D989 PolarHBondContact O-N 3.17Å; D989-R991 PolarHBondContact O-N 3.01Å; D989-M992 PolarHBondContact O-N 3.24Å
990	D	68.3	Low	69.6	Low	143 Å²	143	82.8 Å²	82.8	77%	0.765	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-57	-16.4	176.2	-60.3	-48	0	0	0	114.7	G988 H993	G988-D990 VanDerWaalsContact C-N 3.28Å; G988-D990 PolarHBondContact O-N 2.94Å; D990-H993 PolarHBondContact O-CE1 2.96Å
991	R	61.9	Low	67.3	Low	227 Å²	227	90.3 Å²	90.3	86%	0.857	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-107.1	-6.3	-179.5	-55.9	-179.7	-177.3	172.9	1.5	112.7	G988 D989 H993	G988-R991 WeakPolarHBondContact O-CA 3.47Å; G988-R991 WeakPolarHBondContact O-CB 3.47Å; G988-R991 PolarHBondContact O-N 2.93Å; D989-R991 PolarHBondContact O-N 3.01Å; R991-H993 PolarHBondContact O-N 3.47Å
992	M	70.1	Confident	65.1	Low	33 Å²	33	90.5 Å²	90.5	16%	0.163	47%	0.468	C	S	.	.			trans	-87.5	98.8	179.8	-67.2	-172.2	178.7	0	0	110.2	I986 Q987 D989	I986-M992 HydrophobicContact CG2-CE 3.74Å; I986-M992 HydrophobicContact CG2-SD 3.68Å; Q987-M992 WeakPolarHBondContact O-CE 3.34Å; D989-M992 PolarHBondContact O-N 3.24Å
993	H	62.9	Low	62.8	Low	142 Å²	142	89.4 Å²	89.4	66%	0.657	47%	0.465	S	S	*	.			trans	-127.1	113.2	178.6	-65.6	-7.5	0	0	0	110.4	D990 R991	D990-H993 PolarHBondContact O-CE1 2.96Å; R991-H993 PolarHBondContact O-N 3.47Å
994	L	63.1	Low	60.4	Low	13 Å²	13	97 Å²	97	7%	0.068	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-67.8	133.6	171.7	-65.7	177.3	0	0	0	109.8	Y806 K810 N813 I814 W822 P853 S996	Y806-L994 HydrophobicContact CE1-CD1 4.1Å; K810-L994 HydrophobicContact CB-CD2 4.48Å; N813-L994 HydrophobicContact CB-CD2 3.9Å; N813-L994 WeakPolarHBondContact O-CD2 3.32Å; I814-L994 HydrophobicContact CG1-CD1 4.23Å; I814-L994 HydrophobicContact CG1-CD2 4.23Å; W822-L994 HydrophobicContact CH2-CD1 4.31Å; W822-L994 HydrophobicContact CZ2-CD1 4.19Å; P853-L994 HydrophobicContact CB-CB 3.87Å; P853-L994 HydrophobicContact CB-CD1 3.84Å; P853-L994 HydrophobicContact CG-CB 4.31Å; L994-S996 PolarHBondContact O-N 2.92Å
995	P	50.9	Low	58	Low	94 Å²	94	100.9 Å²	100.9	61%	0.61	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-65.6	136.2	-171.5	23.5	-33.3	0	0	0	112.9
996	S	44.1	Very low	55.9	Low	79 Å²	79	99 Å²	99	55%	0.552	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-55.3	142.3	176.6	-176.7	0	0	0	0	111.7	L994 T998	L994-S996 PolarHBondContact O-N 2.92Å; S996-T998 PolarHBondContact O-N 3.24Å; S996-T998 PolarHBondContact O-OG1 2.68Å
997	P	47.2	Very low	53.9	Low	74 Å²	74	104.8 Å²	104.8	48%	0.481	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	32	-167.7	30.1	-38.1	0	0	0	116	D999	P997-D999 VanDerWaalsContact C-N 3.35Å
998	T	41.6	Very low	51.9	Low	115 Å²	115	100 Å²	100	71%	0.706	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-7	172	32.7	0	0	0	0	114.3	S996 T1000	S996-T998 PolarHBondContact O-N 3.24Å; S996-T998 PolarHBondContact O-OG1 2.68Å; T998-T1000 PolarHBondContact O-N 3.22Å
999	D	39.6	Very low	50.3	Low	95 Å²	95	102.2 Å²	102.2	51%	0.508	55%	0.547	S	S	.	.			trans	-76.6	85.9	-170	-148.3	-30.3	0	0	0	113.9	P997 K1001 F1002	P997-D999 VanDerWaalsContact C-N 3.35Å; D999-K1001 PolarHBondContact O-N 3.07Å; D999-K1001 VanDerWaalsContact O-N 3.1Å; D999-K1001 WeakPolarHBondContact OD1-CB 3.32Å; D999-K1001 PolarHBondContact OD1-N 3.17Å; D999-F1002 PolarHBondContact O-N 3.18Å
1000	T	43.9	Very low	47.9	Very low	95 Å²	95	104 Å²	104	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-67.9	-1.7	179.4	33.2	0	0	0	0	114.3	T998	T998-T1000 PolarHBondContact O-N 3.22Å
1001	K	41.7	Very low	46.1	Very low	168 Å²	168	105 Å²	105	73%	0.73	58%	0.577	S	S	*	*	H	α-helix	trans	-68.8	-44	168	-74.8	-178.7	172.1	179.3	0	111.9	D999 Y1003 R1004 S1005	D999-K1001 PolarHBondContact O-N 3.07Å; D999-K1001 VanDerWaalsContact O-N 3.1Å; D999-K1001 WeakPolarHBondContact OD1-CB 3.32Å; D999-K1001 PolarHBondContact OD1-N 3.17Å; K1001-Y1003 PolarHBondContact O-N 2.73Å; K1001-R1004 PolarHBondContact O-N 3.26Å; K1001-R1004 VanDerWaalsContact O-N 3.11Å; K1001-S1005 PolarHBondContact O-N 3.1Å
1002	F	43.9	Very low	44.5	Very low	77 Å²	77	101.4 Å²	101.4	34%	0.338	57%	0.574	S	S	.	*	H	α-helix	trans	-63.8	-45.5	-174.5	-170.8	-117.3	0	0	0	112.1	P799 Y800 D999 R1004 S1005 L1006	P799-F1002 HydrophobicContact CB-CE1 4.37Å; P799-F1002 WeakPolarHBondContact O-CE1 3.36Å; P799-F1002 WeakPolarHBondContact O-CZ 3.06Å; Y800-F1002 AromaticContact CD1-CE1 3.93Å; Y800-F1002 HydrophobicContact CD1-CE1 3.93Å; Y800-F1002 HydrophobicContact CD1-CZ 4.22Å; Y800-F1002 HydrophobicContact CE1-CD1 4.1Å; Y800-F1002 AromaticContact CE1-CE1 3.76Å; Y800-F1002 HydrophobicContact CE1-CE1 3.76Å; Y800-F1002 HydrophobicContact CE1-CZ 4.33Å; D999-F1002 PolarHBondContact O-N 3.18Å; F1002-R1004 VanDerWaalsContact C-N 3.26Å; F1002-R1004 PolarHBondContact O-N 3.48Å; F1002-S1005 PolarHBondContact O-N 3.45Å; F1002-L1006 HydrophobicContact CD1-CD1 3.85Å; F1002-L1006 HydrophobicContact CE1-CD1 3.59Å; F1002-L1006 HydrophobicContact CE1-CG 4.4Å; F1002-L1006 HydrophobicContact CZ-CD1 4.03Å; F1002-L1006 HydrophobicContact CZ-CG 4.44Å; F1002-L1006 PolarHBondContact O-N 3.32Å
1003	Y	43.2	Very low	42.6	Very low	125 Å²	125	106.1 Å²	106.1	49%	0.49	60%	0.599	S	S	.	*	H	α-helix	trans	-65.5	-22.5	175	-80.3	-74.9	0	0	0	114.4	K1001 I1007	K1001-Y1003 PolarHBondContact O-N 2.73Å; Y1003-I1007 WeakPolarHBondContact O-CD1 3.27Å; Y1003-I1007 WeakPolarHBondContact O-CG1 3.16Å
1004	R	43.6	Very low	41	Very low	177 Å²	177	106.2 Å²	106.2	67%	0.668	61%	0.605	S	S	*	*	H	α-helix	trans	-76	-47.4	170.7	-81	-174.7	170.8	116	-8.5	111.3	K1001 F1002 L1006 I1007 S1008	K1001-R1004 PolarHBondContact O-N 3.26Å; K1001-R1004 VanDerWaalsContact O-N 3.11Å; F1002-R1004 VanDerWaalsContact C-N 3.26Å; F1002-R1004 PolarHBondContact O-N 3.48Å; R1004-L1006 VanDerWaalsContact C-N 3.3Å; R1004-L1006 PolarHBondContact O-N 2.92Å; R1004-I1007 PolarHBondContact O-N 3.04Å; R1004-S1008 PolarHBondContact O-N 3.48Å
1005	S	43.4	Very low	39.5	Very low	84 Å²	84	109.2 Å²	109.2	59%	0.587	64%	0.638	S	S	*	*	H	α-helix	trans	-53.3	-46.7	174.2	174.4	0	0	0	0	111.7	K1001 F1002 I1007 S1008	K1001-S1005 PolarHBondContact O-N 3.1Å; F1002-S1005 PolarHBondContact O-N 3.45Å; S1005-I1007 PolarHBondContact O-N 3.23Å; S1005-S1008 PolarHBondContact O-N 2.93Å
1006	L	45.3	Very low	38.5	Very low	58 Å²	58	111.3 Å²	111.3	30%	0.304	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.6	-10	178.6	-73.9	174.3	0	0	0	115.8	K733 P799 F1002 R1004	K733-L1006 PolarHBondContact NZ-O 3.22Å; P799-L1006 HydrophobicContact CB-CD1 4.23Å; F1002-L1006 HydrophobicContact CD1-CD1 3.85Å; F1002-L1006 HydrophobicContact CE1-CD1 3.59Å; F1002-L1006 HydrophobicContact CE1-CG 4.4Å; F1002-L1006 HydrophobicContact CZ-CD1 4.03Å; F1002-L1006 HydrophobicContact CZ-CG 4.44Å; F1002-L1006 PolarHBondContact O-N 3.32Å; R1004-L1006 VanDerWaalsContact C-N 3.3Å; R1004-L1006 PolarHBondContact O-N 2.92Å
1007	I	45.8	Very low	38	Very low	145 Å²	145	113.4 Å²	113.4	74%	0.744	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	-30.6	179.9	-66.3	171.5	0	0	0	111.8	Y1003 R1004 S1005 G1009	Y1003-I1007 WeakPolarHBondContact O-CD1 3.27Å; Y1003-I1007 WeakPolarHBondContact O-CG1 3.16Å; R1004-I1007 PolarHBondContact O-N 3.04Å; S1005-I1007 PolarHBondContact O-N 3.23Å; I1007-G1009 PolarHBondContact O-N 3.15Å
1008	S	33.5	Very low	37.4	Very low	89 Å²	89	111.9 Å²	111.9	62%	0.622	65%	0.648	S	S	*	*	S	Bend	trans	-83.4	100.7	174.3	-71.3	0	0	0	0	110.6	R1004 S1005 G1010	R1004-S1008 PolarHBondContact O-N 3.48Å; S1005-S1008 PolarHBondContact O-N 2.93Å; S1008-G1010 PolarHBondContact O-N 3.07Å
1009	G	42.5	Very low	37	Very low	89 Å²	89	111.2 Å²	111.2	92%	0.918	64%	0.64	S	S	*	*			trans	-63.1	119.7	170.3	0	0	0	0	0	110.8	I1007	I1007-G1009 PolarHBondContact O-N 3.15Å
1010	G	30.2	Very low	36.8	Very low	63 Å²	63	114.1 Å²	114.1	65%	0.649	65%	0.651	S	S	*	*			trans	-157.1	92.7	179.9	0	0	0	0	0	110.5	S1008	S1008-G1010 PolarHBondContact O-N 3.07Å
1011	D	30.8	Very low	36.3	Very low	164 Å²	164	115.5 Å²	115.5	88%	0.877	65%	0.646	S	S	*	*			trans	62.1	172.4	158.7	-52	-26.4	0	0	0	120.4
1012	L	27.6	Very low	35.7	Very low	151 Å²	151	112.1 Å²	112.1	79%	0.791	64%	0.635	S	S	*	*			trans	-92.7	172.8	-160.7	-87.5	67.9	0	0	0	111.6
1013	D	29.2	Very low	34.9	Very low	131 Å²	131	114.6 Å²	114.6	70%	0.701	66%	0.656	S	S	*	*			cis	-146.6	-157.5	21.2	-145.2	-20.9	0	0	0	113.7
1014	D	30.6	Very low	34.4	Very low	145 Å²	145	113.9 Å²	113.9	78%	0.775	67%	0.667	S	S	*	*			trans	63.8	91.2	173.6	-70.7	-21.6	0	0	0	116
1015	G	31	Very low	33.6	Very low	75 Å²	75	113.4 Å²	113.4	77%	0.773	67%	0.672	S	S	*	*			trans	-91	107.8	156.6	0	0	0	0	0	110	D1017	G1015-D1017 PolarHBondContact O-N 3.21Å
1016	V	29.6	Very low	32.7	Very low	138 Å²	138	116.7 Å²	116.7	84%	0.836	68%	0.678	S	S	*	*			trans	-64.7	127.6	176.8	-173.3	0	0	0	0	109.9
1017	D	34.3	Very low	31.7	Very low	123 Å²	123	117.9 Å²	117.9	66%	0.658	69%	0.692	S	S	*	*			trans	-80.2	153.3	-179.6	-159.7	3.9	0	0	0	112	G1015	G1015-D1017 PolarHBondContact O-N 3.21Å
1018	A	33.8	Very low	30.8	Very low	42 Å²	42	119.4 Å²	119.4	35%	0.347	69%	0.693	S	S	.	*	S	Bend	trans	-98.2	-10.6	-165.7	0	0	0	0	0	114.9	S725	S725-A1018 WeakPolarHBondContact O-CB 3.34Å
1019	D	32.7	Very low	30.4	Very low	101 Å²	101	123.2 Å²	123.2	54%	0.54	70%	0.699	S	S	.	*			trans	-89.3	0.3	-172.9	-77.8	-47.7	0	0	0	114.6	Y1021 L1022	D1019-Y1021 PolarHBondContact O-N 3.5Å; D1019-L1022 PolarHBondContact O-N 3.01Å
1020	E	36.2	Very low	29.9	Very low	157 Å²	157	123.7 Å²	123.7	73%	0.734	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-4.1	176.6	-151.4	-155.1	159	0	0	114.6
1021	Y	33.5	Very low	29.7	Very low	124 Å²	124	126.6 Å²	126.6	49%	0.486	70%	0.699	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.6	2.5	-176.2	-80	-108.8	0	0	0	114.1	K918 D1019	K918-Y1021 HydrophobicContact CD-CD1 4.48Å; K918-Y1021 HydrophobicContact CD-CE1 3.65Å; K918-Y1021 VanDerWaalsContact CE-CE1 3.4Å; K918-Y1021 HydrophobicContact CG-CE1 4.25Å; D1019-Y1021 PolarHBondContact O-N 3.5Å
1022	L	28.6	Very low	29.6	Very low	96 Å²	96	124.3 Å²	124.3	50%	0.503	69%	0.693	S	S	.	*	S	Bend	trans	-127.5	67.6	-170.6	-61.6	177.2	0	0	0	114.5	K880 D1019	K880-L1022 HydrophobicContact CD-CD1 4.28Å; K880-L1022 VanDerWaalsContact NZ-CD1 3.32Å; D1019-L1022 PolarHBondContact O-N 3.01Å
1023	V	27.3	Very low	29.8	Very low	129 Å²	129	122.8 Å²	122.8	78%	0.782	70%	0.695	S	S	*	*			trans	72.3	165.1	164.9	-120.1	0	0	0	0	115.7
1024	P	33.6	Very low	29.6	Very low	110 Å²	110	122.8 Å²	122.8	71%	0.714	70%	0.699	S	S	*	*				-130.2	171.9	-97.6	44.8	-31.1	0	0	0	119
1025	Q	26.7	Very low	29.4	Very low	167 Å²	167	120.4 Å²	120.4	78%	0.78	69%	0.694	S	S	*	*			trans	98.3	126.4	154.4	-73.9	-163.2	-8.4	0	0	122.9
1026	H	24.7	Very low	29.3	Very low	153 Å²	153	127.4 Å²	127.4	71%	0.708	70%	0.699	S	S	*	*			trans	75.5	91.7	143.5	-79.3	-57	0	0	0	124.2
1027	S	23.4	Very low	29.1	Very low	84 Å²	84	126.6 Å²	126.6	59%	0.587	70%	0.695	S	S	*	*				79.8	115.4	122.5	-37.8	0	0	0	0	121.1
1028	F	26.9	Very low	29	Very low	177 Å²	177	126.9 Å²	126.9	78%	0.776	70%	0.703	S	S	*	*				179.9	123.7	92.4	-114.3	-97.8	0	0	0	114.2
1029	F	26	Very low	28.8	Very low	168 Å²	168	131.9 Å²	131.9	74%	0.737	72%	0.723	S	S	*	*			trans	57.6	113.9	142.2	-81.3	-122.7	0	0	0	123.7
1030	S	31.2	Very low	28.4	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	74%	0.741	S	S	*	*				50.8	122.7	110.4	-48.4	0	0	0	0	121.7
1031	S	25.6	Very low	28	Very low	124 Å²	124	134.9 Å²	134.9	87%	0.867	74%	0.738	S	S	*	*			trans	-153.7	163.1	156.5	-91	0	0	0	0	112.9
1032	P	30.1	Very low	27.6	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	76%	0.756	S	S	*	*			trans	-112.4	165.9	-139.4	40.4	-36	0	0	0	117.2
1033	S	30.3	Very low	27.5	Very low	119 Å²	119	136 Å²	136	83%	0.832	77%	0.767	S	S	*	*			trans	-96	112	179.9	45	0	0	0	0	114.2
1034	T	24.9	Very low	27.4	Very low	130 Å²	130	135.6 Å²	135.6	80%	0.798	77%	0.77	S	S	*	*			trans	-149.7	149.7	166.8	40.1	0	0	0	0	109.1
1035	S	27.8	Very low	27.2	Very low	95 Å²	95	136.2 Å²	136.2	66%	0.664	77%	0.772	S	S	*	*			cis	-160.3	132.7	-4.6	47.7	0	0	0	0	113
1036	Y	27.6	Very low	27.1	Very low	222 Å²	222	135 Å²	135	87%	0.871	77%	0.771	S	S	*	*			trans	55.2	131.6	136	-74.8	-89.8	0	0	0	123.5
1037	T	26.3	Very low	27.3	Very low	122 Å²	122	133 Å²	133	75%	0.748	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.8	149.5	147.4	41.5	0	0	0	0	111.6
1038	P	32.1	Very low	27.4	Very low	128 Å²	128	133.9 Å²	133.9	83%	0.831	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-84.3	153.5	173.1	33.3	-33.7	0	0	0	113.2
1039	L	28.4	Very low	27.7	Very low	148 Å²	148	133.7 Å²	133.7	78%	0.775	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-89.4	164.4	-174.4	-67.8	132.6	0	0	0	113.9
1040	L	26.1	Very low	27.8	Very low	176 Å²	176	129 Å²	129	92%	0.921	78%	0.784	S	S	*	*			trans	-148.1	152.3	132.5	-116	169.7	0	0	0	111.8
1041	H	27.3	Very low	27.9	Very low	145 Å²	145	130.7 Å²	130.7	67%	0.671	79%	0.791	S	S	*	*			trans	-97.3	162.7	-169.5	-90.8	-90.9	0	0	0	113.7	T1043	H1041-T1043 HydrophobicContact CB-CG2 4.45Å
1042	S	24.7	Very low	28	Very low	122 Å²	122	129 Å²	129	85%	0.853	78%	0.779	S	S	*	*			trans	-133.6	157.5	133.1	54.2	0	0	0	0	109.7
1043	T	27.2	Very low	28.2	Very low	120 Å²	120	132.5 Å²	132.5	74%	0.736	78%	0.783	S	S	*	*			trans	-139.7	153.9	-163.7	43.7	0	0	0	0	113.4	H1041	H1041-T1043 HydrophobicContact CB-CG2 4.45Å
1044	S	24.5	Very low	28.2	Very low	121 Å²	121	132.7 Å²	132.7	85%	0.846	78%	0.779	S	S	*	*			trans	-148.7	145.7	156.5	56.1	0	0	0	0	110
1045	T	28.9	Very low	28.6	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	78%	0.78	S	S	*	*			trans	-101	167.7	-172.3	52.4	0	0	0	0	110.7
1046	N	26	Very low	28.7	Very low	140 Å²	140	139.5 Å²	139.5	75%	0.749	79%	0.786	S	S	*	*				-177.4	158.4	66.5	-126.9	-7.2	0	0	0	114.5
1047	S	28.5	Very low	28.7	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	78%	0.78	S	S	*	*			trans	60.9	142	159.2	39.8	0	0	0	0	120
1048	S	25.8	Very low	29	Very low	103 Å²	103	134 Å²	134	72%	0.72	78%	0.784	S	S	*	*			cis	-158.4	137.1	-0.9	50.6	0	0	0	0	114.4
1049	I	32.7	Very low	28.8	Very low	172 Å²	172	135.1 Å²	135.1	88%	0.882	78%	0.78	S	S	*	*			trans	30.2	131.9	132.4	-53.8	166.2	0	0	0	117.9
1050	G	27.6	Very low	28.9	Very low	69 Å²	69	135 Å²	135	71%	0.711	78%	0.78	S	S	*	*			cis	149.6	166.6	8.5	0	0	0	0	0	109.3
1051	T	33.1	Very low	28.8	Very low	137 Å²	137	130 Å²	130	84%	0.84	77%	0.771	S	S	*	*			cis	-139.8	-134	6	44.7	0	0	0	0	109.2
1052	S	27.7	Very low	28.6	Very low	87 Å²	87	130.1 Å²	130.1	61%	0.608	78%	0.782	S	S	*	*			cis	-167.3	131.3	4.4	-159.6	0	0	0	0	113.1
1053	K	34.6	Very low	29.9	Very low	191 Å²	191	129.9 Å²	129.9	83%	0.83	78%	0.777	S	S	*	*			trans	60	148.7	155.6	-64.5	179.2	-177.8	178.5	0	119.6
1054	T	30.1	Very low	29.7	Very low	122 Å²	122	129.4 Å²	129.4	75%	0.748	78%	0.778	S	S	*	*			cis	-160.6	146.6	11.1	-9.2	0	0	0	0	115.7
1055	R	33.7	Very low	29.9	Very low	217 Å²	217	133.8 Å²	133.8	82%	0.819	78%	0.777	S	S	*	*			trans	64.2	128.2	144.5	-91.6	-173.2	165.3	171.6	-4.1	126.6
1056	N	30.3	Very low	29.8	Very low	151 Å²	151	134.4 Å²	134.4	81%	0.807	78%	0.775	S	S	*	*			trans	57.7	146.6	140	-59.2	10.3	0	0	0	123.2
1057	G	27.1	Very low	29.9	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	78%	0.777	S	S	*	*			cis	159.9	152.7	-14.8	0	0	0	0	0	117.6
1058	L	32.7	Very low	29.8	Very low	158 Å²	158	131.2 Å²	131.2	83%	0.827	78%	0.776	S	S	*	*			trans	66.5	161.1	165.2	-97.8	62.3	0	0	0	119.8
1059	M	28.4	Very low	29.9	Very low	150 Å²	150	134.5 Å²	134.5	74%	0.739	78%	0.782	S	S	*	*			cis	-142	177.2	3.2	-99.4	-148.9	-178.4	0	0	109.7
1060	N	29.7	Very low	29.8	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	77%	0.773	S	S	*	*			cis	87.7	135	24.5	-54.5	10.7	0	0	0	116.9
1061	G	24.3	Very low	29.8	Very low	71 Å²	71	135 Å²	135	73%	0.732	77%	0.773	S	S	*	*			cis	162.6	155.8	-16.6	0	0	0	0	0	117.8
1062	V	23.6	Very low	29.6	Very low	147 Å²	147	138.5 Å²	138.5	89%	0.891	77%	0.771	S	S	*	*			trans	84.2	-171.9	158.7	-131	0	0	0	0	120.2
1063	P	50.6	Low	29.6	Very low	117 Å²	117	143.3 Å²	143.3	76%	0.76	78%	0.777	S	S	*	*				-129.7	-173.9	-123.2	46.7	-28.8	0	0	0	119.4
1064	S	24.6	Very low	29.1	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	77%	0.774	S	S	*	*			trans	138.9	115.5	132.8	-172.9	0	0	0	0	121
1065	R	28	Very low	29.7	Very low	214 Å²	214	141.7 Å²	141.7	81%	0.808	78%	0.777	S	S	*	*				57.4	139.8	127.4	-138.7	-171.5	157.1	145.5	0	126.7
1066	D	27.7	Very low	29.6	Very low	136 Å²	136	138.6 Å²	138.6	73%	0.727	78%	0.776	S	S	*	*			trans	67.9	134.6	153.3	-68.8	-20.7	0	0	0	124.9
1067	G	26.3	Very low	30.2	Very low	76 Å²	76	135.8 Å²	135.8	78%	0.784	77%	0.766	S	S	*	*			trans	137	74.1	134.5	0	0	0	0	0	126.8
1068	S	27.8	Very low	30.6	Very low	109 Å²	109	138.4 Å²	138.4	76%	0.762	77%	0.768	S	S	*	*			trans	65.3	137.4	132.9	-148.9	0	0	0	0	127.6
1069	M	27.5	Very low	30.4	Very low	172 Å²	172	136.2 Å²	136.2	85%	0.847	76%	0.757	S	S	*	*			trans	65.8	158.9	148	-79.2	-173.4	-173.1	0	0	123.7
1070	V	30.3	Very low	30.4	Very low	115 Å²	115	136.2 Å²	136.2	70%	0.697	75%	0.753	S	S	*	*			cis	179.6	162.9	-37.1	125.6	0	0	0	0	112.9
1071	L	28.4	Very low	30.2	Very low	138 Å²	138	137.5 Å²	137.5	72%	0.723	75%	0.752	S	S	*	*			trans	83.4	156.5	174.6	-56.5	136.6	0	0	0	118.8
1072	R	28.3	Very low	30.4	Very low	209 Å²	209	140.4 Å²	140.4	79%	0.789	75%	0.75	S	S	*	*			cis	-171.5	146.6	-30	-103.6	-166.5	-173.7	155.1	1.9	114.2
1073	Y	27.7	Very low	30.7	Very low	188 Å²	188	140.2 Å²	140.2	74%	0.737	74%	0.744	S	S	*	*			trans	61.7	124.6	144	-84.5	-110.1	0	0	0	127.1
1074	M	24.1	Very low	29.6	Very low	156 Å²	156	143.2 Å²	143.2	77%	0.768	75%	0.748	S	S	*	*				39.2	165.2	125.1	-57.5	-170.1	76.7	0	0	123.6
1075	P	43.9	Very low	29.8	Very low	124 Å²	124	142 Å²	142	81%	0.805	75%	0.745	S	S	*	*			cis	-137.8	-151	10.1	43.9	-21.9	0	0	0	117.5
1076	D	29.8	Very low	29.7	Very low	151 Å²	151	141.9 Å²	141.9	81%	0.807	75%	0.75	S	S	*	*			trans	-119.5	-157.2	-167.7	-156.2	32.9	0	0	0	112
1077	P	44.3	Very low	29.5	Very low	92 Å²	92	143.8 Å²	143.8	60%	0.597	76%	0.755	S	S	*	*			cis	-147.8	-178.4	-3.2	44.5	-22.5	0	0	0	121
1078	T	34.1	Very low	30.3	Very low	127 Å²	127	146 Å²	146	78%	0.779	76%	0.755	S	S	*	*			trans	70.1	152.5	153.4	41.9	0	0	0	0	122
1079	D	28.9	Very low	30.1	Very low	112 Å²	112	145 Å²	145	60%	0.599	75%	0.753	S	S	*	*			cis	-178.1	151.6	44	-150.4	20.1	0	0	0	116.4
1080	K	29.2	Very low	30.8	Very low	150 Å²	150	141.8 Å²	141.8	65%	0.652	75%	0.746	S	S	*	*			trans	53.9	126.5	145.9	-76	175.5	-165.2	80.4	0	130.4
1081	F	25.9	Very low	30.7	Very low	174 Å²	174	142.6 Å²	142.6	76%	0.763	75%	0.746	S	S	*	*				78.3	137.8	124.1	-83.7	-51.1	0	0	0	129.8
1082	L	28.1	Very low	30.6	Very low	132 Å²	132	145.1 Å²	145.1	69%	0.691	75%	0.748	S	S	*	*			trans	87.5	110.2	138.8	-73.1	167.7	0	0	0	125.7
1083	D	29.2	Very low	30.5	Very low	143 Å²	143	142 Å²	142	77%	0.765	74%	0.744	S	S	*	*				71.2	147.6	121.3	-72	9.9	0	0	0	129.2
1084	E	27.5	Very low	30.6	Very low	180 Å²	180	139.2 Å²	139.2	84%	0.841	74%	0.741	S	S	*	*			trans	66.8	97.2	154.7	-72.4	-168.4	151.6	0	0	125.7
1085	A	28	Very low	30.8	Very low	84 Å²	84	140.2 Å²	140.2	69%	0.694	74%	0.744	S	S	*	*				72.8	155.7	108.1	0	0	0	0	0	125.6
1086	F	26	Very low	29.9	Very low	211 Å²	211	141.8 Å²	141.8	93%	0.925	75%	0.746	S	S	*	*			trans	86.1	142.1	164.6	-82.5	-83.9	0	0	0	123.2
1087	Q	25.1	Very low	29.7	Very low	177 Å²	177	138.2 Å²	138.2	83%	0.827	74%	0.744	S	S	*	*			trans	-98.2	-178.2	174.2	-69.7	-174.5	-21.2	0	0	109.9
1088	P	41.7	Very low	28.8	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	75%	0.753	S	S	*	*			cis	-141.6	-159.6	14.3	43	-20.6	0	0	0	116.8
1089	A	24.6	Very low	28.5	Very low	88 Å²	88	138.6 Å²	138.6	73%	0.727	75%	0.749	S	S	*	*			trans	-66.2	-176.9	178	0	0	0	0	0	113.7
1090	P	42.8	Very low	28.4	Very low	106 Å²	106	140 Å²	140	69%	0.688	76%	0.756	S	S	*	*			cis	-155.3	-171.1	35.8	46.3	-23.3	0	0	0	120.2
1091	D	26.7	Very low	28.3	Very low	132 Å²	132	138.1 Å²	138.1	71%	0.706	76%	0.757	S	S	*	*			trans	89	124.6	138.6	-71.4	-19.4	0	0	0	127.1
1092	Y	26.9	Very low	28.4	Very low	191 Å²	191	137 Å²	137	75%	0.749	76%	0.757	S	S	*	*			trans	70.9	114.1	136.2	-82.3	-108.4	0	0	0	126.8
1093	M	26.6	Very low	28.6	Very low	144 Å²	144	137.2 Å²	137.2	71%	0.709	76%	0.759	S	S	*	*				59.7	130	125.9	-79.2	-158.2	175.2	0	0	126.3
1094	N	29.2	Very low	29.2	Very low	129 Å²	129	135.8 Å²	135.8	69%	0.69	76%	0.758	S	S	*	*				46.8	137.6	129.5	-57.8	-24.1	0	0	0	121.2
1095	Q	27.8	Very low	29.2	Very low	177 Å²	177	132 Å²	132	83%	0.827	75%	0.747	S	S	*	*				-171.2	144.5	71.1	-82.6	-176	13.9	0	0	115.9
1096	N	25.2	Very low	29.2	Very low	157 Å²	157	138.2 Å²	138.2	84%	0.84	75%	0.754	S	S	*	*			trans	29.7	138.8	137.9	-59.4	-9.9	0	0	0	125.5
1097	G	25.8	Very low	29.3	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	74%	0.744	S	S	*	*			trans	153.6	122.5	153.7	0	0	0	0	0	112.6
1098	V	26.2	Very low	29.4	Very low	128 Å²	128	135.7 Å²	135.7	78%	0.776	75%	0.745	S	S	*	*			cis	128.6	130.5	0.9	165.1	0	0	0	0	110
1099	S	27.7	Very low	28.7	Very low	99 Å²	99	136 Å²	136	69%	0.692	75%	0.75	S	S	*	*			trans	70.2	159.1	170.3	-67	0	0	0	0	116.8
1100	N	27.5	Very low	28.7	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	75%	0.75	S	S	*	*			cis	-176	168.1	-7.5	-105.7	-4.5	0	0	0	109.8
1101	V	26.7	Very low	29.6	Very low	111 Å²	111	136.1 Å²	136.1	67%	0.673	76%	0.756	S	S	*	*			cis	-168.9	154.6	-16.7	103.5	0	0	0	0	111.7
1102	I	26.6	Very low	30.7	Very low	149 Å²	149	135 Å²	135	76%	0.764	76%	0.756	S	S	*	*			trans	64.8	120.8	156	-73.7	172.8	0	0	0	124
1103	N	32.2	Very low	31	Very low	137 Å²	137	137 Å²	137	73%	0.733	76%	0.762	S	S	*	*				29.8	162.8	115.1	-110	-9.6	0	0	0	122.2
1104	P	42.8	Very low	31.2	Very low	113 Å²	113	136 Å²	136	73%	0.734	77%	0.765	S	S	*	*			cis	-149.8	164.5	35.4	43.1	-21.7	0	0	0	121.8
1105	V	26.5	Very low	31.1	Very low	102 Å²	102	137.3 Å²	137.3	62%	0.618	77%	0.771	S	S	*	*			trans	20.6	133.7	138.3	-175.8	0	0	0	0	122.6
1106	Y	28.3	Very low	31	Very low	213 Å²	213	135.7 Å²	135.7	84%	0.835	77%	0.767	S	S	*	*				173	170.8	128.7	-100.1	-75.4	0	0	0	110.7
1107	Q	27.8	Very low	32.1	Very low	154 Å²	154	133.4 Å²	133.4	72%	0.72	76%	0.76	S	S	*	*				-150.9	171.3	-80.5	-160.3	173.9	24.7	0	0	111
1108	H	28.3	Very low	32.2	Very low	181 Å²	181	135.4 Å²	135.4	84%	0.838	76%	0.758	S	S	*	*			trans	-51.1	169.7	-170	-59.9	-73.4	0	0	0	121.6
1109	S	26.2	Very low	32.3	Very low	129 Å²	129	135.9 Å²	135.9	90%	0.902	76%	0.755	S	S	*	*			trans	-149.7	157	138.5	60.4	0	0	0	0	115.2
1110	G	26	Very low	32.3	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	75%	0.752	S	S	*	*			trans	138.2	172.4	-171.4	0	0	0	0	0	110
1111	P	59.6	Low	32.6	Very low	125 Å²	125	132.9 Å²	132.9	81%	0.812	75%	0.745	S	S	*	*			cis	-114	-140.1	-9.3	28.5	-4	0	0	0	110.7
1112	P	50.1	Low	32.9	Very low	108 Å²	108	134 Å²	134	70%	0.701	75%	0.747	S	S	*	*				-155.9	147.7	79.5	39.3	-18.6	0	0	0	119.7
1113	R	34.2	Very low	33	Very low	233 Å²	233	134.1 Å²	134.1	88%	0.879	75%	0.749	S	S	*	*			trans	63.5	145.1	145.1	-70.1	-178.4	178.3	170.4	0.7	119.4
1114	T	29.8	Very low	33	Very low	124 Å²	124	133.2 Å²	133.2	76%	0.761	75%	0.749	S	S	*	*			cis	-151.1	-175.7	7.8	-3.2	0	0	0	0	108.1
1115	L	27.1	Very low	32.3	Very low	156 Å²	156	136.9 Å²	136.9	82%	0.817	76%	0.756	S	S	*	*			cis	-147.7	-155.3	15	-135.4	-179.5	0	0	0	110.8
1116	L	26	Very low	32.4	Very low	143 Å²	143	136.7 Å²	136.7	75%	0.749	76%	0.759	S	S	*	*			trans	-155.1	-171.1	-177.4	-100.5	169.4	0	0	0	107.5
1117	P	48	Very low	32.4	Very low	108 Å²	108	135.5 Å²	135.5	70%	0.701	76%	0.761	S	S	*	*			cis	-124.3	-164.7	7.6	47.8	-32.4	0	0	0	111.6
1118	T	29.7	Very low	32.3	Very low	117 Å²	117	137.9 Å²	137.9	72%	0.718	77%	0.765	S	S	*	*			cis	-163.8	-176.8	-25.5	27.2	0	0	0	0	105.4
1119	I	27.4	Very low	32.2	Very low	139 Å²	139	135 Å²	135	71%	0.713	76%	0.755	S	S	*	*			cis	-148.8	144.3	4.8	-131.7	151.2	0	0	0	105.6
1120	S	27.7	Very low	32.3	Very low	92 Å²	92	135 Å²	135	64%	0.643	75%	0.745	S	S	*	*				51.4	151.7	92.1	125.5	0	0	0	0	115.8
1121	S	33.4	Very low	32.4	Very low	85 Å²	85	140.4 Å²	140.4	59%	0.594	75%	0.745	S	S	*	*			cis	169	-179.2	-15.6	58.7	0	0	0	0	105.1
1122	D	32.8	Very low	30.8	Very low	135 Å²	135	141.6 Å²	141.6	72%	0.722	74%	0.737	S	S	*	*			cis	-157.3	-170.4	14.1	-109.5	-44.8	0	0	0	110.6
1123	D	29	Very low	29.6	Very low	152 Å²	152	146.4 Å²	146.4	81%	0.813	75%	0.747	S	S	*	*			trans	115	150.4	140.5	-75.6	-40.2	0	0	0	122
1124	T	31.6	Very low	29.2	Very low	118 Å²	118	142.3 Å²	142.3	72%	0.724	74%	0.743	S	S	*	*			trans	-148	157	-154.1	53.4	0	0	0	0	114.1
1125	E	29.7	Very low	29.1	Very low	189 Å²	189	139.7 Å²	139.7	88%	0.883	74%	0.74	S	S	*	*			trans	66.2	155.8	163.2	-77.7	-169.9	171.5	0	0	117
1126	S	28.3	Very low	29.1	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	74%	0.743	S	S	*	*			cis	-157.6	162.5	-4.5	42.7	0	0	0	0	109.9
1127	E	27.4	Very low	29.3	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	75%	0.753	S	S	*	*			trans	-168.9	161.3	131.5	-114.2	-175.1	172.8	0	0	116
1128	Y	26	Very low	28.3	Very low	205 Å²	205	136.9 Å²	136.9	80%	0.804	75%	0.752	S	S	*	*			trans	-65.8	169.6	-176.5	-82.2	-120.6	0	0	0	115.3
1129	L	26.5	Very low	28.7	Very low	121 Å²	121	138 Å²	138	63%	0.634	76%	0.761	S	S	*	*			cis	-176	160.5	-31.8	-135.1	157.5	0	0	0	107.6
1130	N	27.1	Very low	28.7	Very low	128 Å²	128	138.4 Å²	138.4	68%	0.684	76%	0.76	S	S	*	*			trans	73.3	149	167.4	-60.4	-42.9	0	0	0	117.6
1131	Y	29.4	Very low	28.6	Very low	184 Å²	184	143 Å²	143	72%	0.722	76%	0.764	S	S	*	*			cis	-148.6	131.3	-0.3	-148.1	-118.3	0	0	0	113.3
1132	F	26.1	Very low	28.3	Very low	150 Å²	150	145.5 Å²	145.5	66%	0.658	77%	0.77	S	S	*	*			trans	40.5	111.3	150.4	-76.3	-112.2	0	0	0	122
1133	K	23.7	Very low	28	Very low	209 Å²	209	145 Å²	145	91%	0.909	77%	0.767	S	S	*	*				-156	146.5	103.8	-120.1	179.5	-179.3	-178.6	0	112.5
1134	N	26.8	Very low	28.2	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	77%	0.767	S	S	*	*			trans	-74.1	160	179.5	-51.2	-11.6	0	0	0	110.9
1135	G	26.6	Very low	27.9	Very low	69 Å²	69	148.4 Å²	148.4	71%	0.711	78%	0.775	S	S	*	*			cis	151.9	139.4	-5.1	0	0	0	0	0	111.9
1136	A	28.4	Very low	28.3	Very low	105 Å²	105	144.2 Å²	144.2	87%	0.868	76%	0.764	S	S	*	*			trans	65.5	124.8	-178.1	0	0	0	0	0	117.2
1137	N	29.6	Very low	28.2	Very low	178 Å²	178	144.6 Å²	144.6	95%	0.952	77%	0.766	S	S	*	*			trans	-116.1	129	168.4	-84	-17.1	0	0	0	109.4
1138	G	27.6	Very low	28.1	Very low	66 Å²	66	140.4 Å²	140.4	68%	0.68	76%	0.758	S	S	*	*			trans	-151.5	142.3	166.2	0	0	0	0	0	109	E1140	G1138-E1140 PolarHBondContact O-N 3.36Å
1139	P	38.3	Very low	28	Very low	140 Å²	140	137 Å²	137	91%	0.909	76%	0.759	S	S	*	*			trans	-94.8	82.6	-177.7	35.7	-31.7	0	0	0	111.4
1140	E	26.5	Very low	28	Very low	148 Å²	148	135.2 Å²	135.2	69%	0.692	76%	0.761	S	S	*	*			trans	-131.4	162.7	171.2	-74.7	-165.5	114.2	0	0	111.9	G1138	G1138-E1140 PolarHBondContact O-N 3.36Å
1141	Y	26	Very low	28	Very low	189 Å²	189	137 Å²	137	74%	0.741	77%	0.77	S	S	*	*			trans	69.7	142.1	175.2	-49.7	-76.1	0	0	0	116
1142	L	26.4	Very low	28.8	Very low	137 Å²	137	133.3 Å²	133.3	72%	0.717	77%	0.768	S	S	*	*			cis	137.8	127.2	-11.1	-91.4	165.2	0	0	0	108.9
1143	N	26.3	Very low	28.8	Very low	124 Å²	124	133 Å²	133	66%	0.663	77%	0.773	S	S	*	*			trans	64.9	118.3	152.7	-64.2	12.8	0	0	0	122.6
1144	E	33.7	Very low	28.9	Very low	171 Å²	171	129.1 Å²	129.1	80%	0.799	76%	0.762	S	S	*	*				53.5	120.9	124.6	-56.7	-172.2	124.4	0	0	121.6
1145	L	25.7	Very low	29	Very low	171 Å²	171	125.8 Å²	125.8	90%	0.895	75%	0.751	S	S	*	*			trans	-156.6	128	148.8	-129.8	155.6	0	0	0	111.3
1146	P	38.2	Very low	29	Very low	101 Å²	101	129.3 Å²	129.3	66%	0.656	75%	0.753	S	S	*	*			trans	-103.7	160.4	-176.2	37.6	-35.7	0	0	0	115.7
1147	S	25	Very low	29.1	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	74%	0.744	S	S	*	*			trans	77.7	129	145.1	71.3	0	0	0	0	123.3
1148	S	25.2	Very low	29	Very low	100 Å²	100	127.7 Å²	127.7	70%	0.699	73%	0.734	S	S	*	*			trans	96.9	123	134.4	77.4	0	0	0	0	122.4
1149	T	25.9	Very low	29.1	Very low	134 Å²	134	128.5 Å²	128.5	82%	0.822	73%	0.734	S	S	*	*			trans	62.2	146.8	142.3	39.2	0	0	0	0	121.3
1150	A	25.7	Very low	28.7	Very low	83 Å²	83	130 Å²	130	69%	0.686	73%	0.733	S	S	*	*			cis	-158.9	165.2	-4	0	0	0	0	0	113.2
1151	L	27.7	Very low	28.7	Very low	166 Å²	166	126.7 Å²	126.7	87%	0.869	74%	0.738	S	S	*	*			trans	4.5	163.9	139.8	-67.8	170.7	0	0	0	120.6
1152	P	45.2	Very low	28.8	Very low	106 Å²	106	121.7 Å²	121.7	69%	0.688	75%	0.745	S	S	*	*			cis	-133.1	-158.1	19.5	44.8	-26.7	0	0	0	113.2
1153	L	26.3	Very low	28.8	Very low	145 Å²	145	124 Å²	124	76%	0.759	75%	0.752	S	S	*	*			cis	-157.5	168.9	-2.8	-150.1	74	0	0	0	105
1154	N	26.3	Very low	28.8	Very low	126 Å²	126	125.8 Å²	125.8	67%	0.674	76%	0.761	S	S	*	*			cis	-155.9	-172.1	0.5	-140.8	-4.7	0	0	0	105.9
1155	S	27.5	Very low	28.3	Very low	78 Å²	78	129 Å²	129	55%	0.545	77%	0.767	S	S	.	*			cis	-167.6	141.6	-6.6	32.6	0	0	0	0	109.1
1156	N	27.7	Very low	28.5	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	77%	0.769	S	S	*	*			trans	61.1	143.8	144.7	-58.1	0.4	0	0	0	119.8
1157	N	29.5	Very low	28.2	Very low	128 Å²	128	132.5 Å²	132.5	68%	0.684	77%	0.769	S	S	*	*			cis	-158	145.4	11.4	-131	5.9	0	0	0	112.9
1158	T	28.6	Very low	28.1	Very low	122 Å²	122	135.6 Å²	135.6	75%	0.748	77%	0.772	S	S	*	*			trans	49.9	146.8	149.2	55.3	0	0	0	0	122.6
1159	A	28.7	Very low	28.1	Very low	82 Å²	82	139.2 Å²	139.2	68%	0.678	78%	0.783	S	S	*	*			cis	-174.7	170.9	-18.8	0	0	0	0	0	110.5
1160	I	30.1	Very low	28.1	Very low	173 Å²	173	136.9 Å²	136.9	89%	0.887	77%	0.773	S	S	*	*			trans	76.7	107.9	162.5	-51	173.6	0	0	0	118.8
1161	G	27.4	Very low	28	Very low	77 Å²	77	140.4 Å²	140.4	79%	0.794	78%	0.777	S	S	*	*				108.6	126.7	114.3	0	0	0	0	0	121
1162	G	26.9	Very low	28	Very low	85 Å²	85	138.7 Å²	138.7	88%	0.876	77%	0.769	S	S	*	*			trans	105.2	130.7	148.5	0	0	0	0	0	117.4
1163	Q	26.6	Very low	27.2	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.864	77%	0.771	S	S	*	*			trans	-87.9	138	170.9	-64.1	167.2	-61	0	0	111.1
1164	N	27.3	Very low	27.9	Very low	162 Å²	162	137.7 Å²	137.7	87%	0.866	76%	0.763	S	S	*	*				-178.9	133.3	118.9	-93.3	-39.5	0	0	0	111.3	R1166	N1164-R1166 PolarHBondContact O-N 3.39Å
1165	Y	23.6	Very low	27.9	Very low	237 Å²	237	138.3 Å²	138.3	93%	0.929	77%	0.767	S	S	*	*			trans	-89.5	108.1	-174.5	-111.6	-97.1	0	0	0	112.6
1166	R	29.4	Very low	28	Very low	244 Å²	244	144.9 Å²	144.9	92%	0.921	78%	0.781	S	S	*	*			trans	-153.5	118.9	155.2	-105.4	-171.2	177.4	-170.5	0.5	108.6	N1164	N1164-R1166 PolarHBondContact O-N 3.39Å
1167	P	32.1	Very low	27.9	Very low	103 Å²	103	146.2 Å²	146.2	67%	0.669	78%	0.783	S	S	*	*				-133	149.9	124.7	40.3	-30.9	0	0	0	109.7
1168	Q	23.3	Very low	27.9	Very low	169 Å²	169	147.7 Å²	147.7	79%	0.79	79%	0.785	S	S	*	*				56.3	110.7	61.4	-80.1	-177.3	-47.4	0	0	113.5
1169	N	25	Very low	27.8	Very low	176 Å²	176	147.9 Å²	147.9	94%	0.941	78%	0.782	S	S	*	*			trans	-119.4	119.6	142.5	-96.3	-13.7	0	0	0	106
1170	S	25.4	Very low	27.8	Very low	86 Å²	86	153.8 Å²	153.8	60%	0.601	79%	0.793	S	S	*	*			trans	-151.8	126	-178.3	179.6	0	0	0	0	108.1
1171	M	24.4	Very low	27.6	Very low	157 Å²	157	150.9 Å²	150.9	77%	0.773	78%	0.783	S	S	*	*			trans	67.9	159.8	168.3	-63.8	170	70.5	0	0	113.9
1172	D	27.8	Very low	27.7	Very low	129 Å²	129	153.1 Å²	153.1	69%	0.69	78%	0.784	S	S	*	*			cis	-151.9	-174.3	17.7	-141.8	-20	0	0	0	114.5
1173	N	27.5	Very low	27.6	Very low	137 Å²	137	155.7 Å²	155.7	73%	0.733	78%	0.783	S	S	*	*			trans	89	153.1	153.5	-103.2	18	0	0	0	119.2
1174	P	41.5	Very low	27.6	Very low	93 Å²	93	156.6 Å²	156.6	60%	0.604	78%	0.784	S	S	*	*				-142.1	-171.6	-112.5	39.2	-16.6	0	0	0	114.5
1175	D	26.6	Very low	27.5	Very low	139 Å²	139	158 Å²	158	74%	0.743	78%	0.783	S	S	*	*				172.5	107.6	121.4	-94.5	-15.5	0	0	0	111.6
1176	Y	27.7	Very low	27.6	Very low	216 Å²	216	152.3 Å²	152.3	85%	0.847	77%	0.772	S	S	*	*				165.3	133.6	123.9	-107.8	-90.8	0	0	0	111.9
1177	Q	26.3	Very low	27.5	Very low	170 Å²	170	149 Å²	149	79%	0.794	77%	0.767	S	S	*	*			trans	-141.2	166.3	162.8	-89.4	-162.5	-18.6	0	0	108.5
1178	Q	29.1	Very low	27.2	Very low	159 Å²	159	150.7 Å²	150.7	74%	0.743	78%	0.775	S	S	*	*			trans	68.9	137.7	174.6	-63	170.7	6.8	0	0	113.9
1179	D	27.4	Very low	27.4	Very low	126 Å²	126	150.4 Å²	150.4	67%	0.674	78%	0.779	S	S	*	*			cis	-151	165.1	-2.2	-108.6	-23.4	0	0	0	109.9
1180	F	28.4	Very low	27.4	Very low	207 Å²	207	145.6 Å²	145.6	91%	0.908	77%	0.772	S	S	*	*				-174.1	124.2	128.1	-101.7	-62.5	0	0	0	111.8
1181	T	25.1	Very low	27.4	Very low	111 Å²	111	150.4 Å²	150.4	68%	0.681	78%	0.784	S	S	*	*			trans	-109.9	149.1	167.2	50.1	0	0	0	0	110.3
1182	P	29.4	Very low	27.5	Very low	125 Å²	125	149.5 Å²	149.5	81%	0.812	78%	0.781	S	S	*	*			trans	-81.3	140.3	-178.8	32.2	-34.3	0	0	0	112
1183	T	24.8	Very low	27.7	Very low	139 Å²	139	149.2 Å²	149.2	85%	0.853	79%	0.786	S	S	*	*			trans	-129.9	135.3	171.7	36.4	0	0	0	0	112.1
1184	F	26.8	Very low	27.6	Very low	203 Å²	203	146.8 Å²	146.8	89%	0.89	79%	0.785	S	S	*	*			trans	-90.8	139.6	175.5	-95.6	-100.3	0	0	0	111.3
1185	K	25.3	Very low	26.9	Very low	193 Å²	193	146.7 Å²	146.7	84%	0.839	79%	0.792	S	S	*	*			trans	-176.2	122.1	135.1	-104.8	159.2	-174.3	177.9	0	116.6
1186	T	26.6	Very low	26.9	Very low	116 Å²	116	148.4 Å²	148.4	71%	0.712	80%	0.796	S	S	*	*			trans	52.9	110.4	137.3	56.4	0	0	0	0	123.3
1187	H	27.6	Very low	27.1	Very low	175 Å²	175	146 Å²	146	81%	0.81	80%	0.797	S	S	*	*			trans	21.6	138.6	135.4	-61	-81.4	0	0	0	123.2
1188	T	26.2	Very low	27.4	Very low	138 Å²	138	144 Å²	144	85%	0.847	80%	0.797	S	S	*	*				-160.6	164	115.7	6.3	0	0	0	0	113.3
1189	N	26.7	Very low	27.6	Very low	163 Å²	163	143.6 Å²	143.6	87%	0.872	80%	0.795	S	S	*	*			trans	-64.7	167	-169.5	-47	-34.3	0	0	0	114.7
1190	G	25.3	Very low	27.7	Very low	76 Å²	76	147.1 Å²	147.1	78%	0.784	80%	0.8	S	S	*	*			cis	-165.9	-165.9	4	0	0	0	0	0	109.2
1191	H	24.7	Very low	27.6	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.866	80%	0.802	S	S	*	*			cis	-153.7	175.6	12	-163	72.9	0	0	0	110.1
1192	I	26.9	Very low	27.7	Very low	137 Å²	137	143.5 Å²	143.5	70%	0.703	80%	0.801	S	S	*	*			trans	-101.9	161.7	-172.1	-19.1	179.7	0	0	0	112
1193	P	31.7	Very low	28.9	Very low	123 Å²	123	143.1 Å²	143.1	80%	0.799	80%	0.798	S	S	*	*				-141.1	174.5	88.9	38.9	-25.5	0	0	0	113.9
1194	A	25.3	Very low	29.1	Very low	86 Å²	86	147.9 Å²	147.9	71%	0.711	82%	0.818	S	S	*	*			cis	160.5	162.7	-28.9	0	0	0	0	0	107.3
1195	A	26.6	Very low	29.2	Very low	91 Å²	91	145.2 Å²	145.2	75%	0.752	82%	0.815	S	S	*	*			trans	77.6	136.2	-179.4	0	0	0	0	0	117.2
1196	E	26.6	Very low	29.4	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.822	81%	0.813	S	S	*	*			cis	-162.7	160	-26.3	-131.6	153.3	-144.4	0	0	110.6
1197	N	33.1	Very low	29.6	Very low	164 Å²	164	144.1 Å²	144.1	88%	0.877	82%	0.819	S	S	*	*			trans	-137.2	139	176.6	-95	-34.1	0	0	0	109.8
1198	V	30.9	Very low	29.7	Very low	129 Å²	129	142.3 Å²	142.3	78%	0.782	82%	0.82	S	S	*	*			trans	-149.4	138.3	178.7	176.3	0	0	0	0	108.8
1199	E	34.3	Very low	29.9	Very low	150 Å²	150	142.6 Å²	142.6	70%	0.701	82%	0.818	S	S	*	*			cis	-168.4	-179.9	-21.8	-172.3	164.7	-128.8	0	0	108.4
1200	Y	30.1	Very low	30.1	Very low	200 Å²	200	141.2 Å²	141.2	78%	0.784	81%	0.814	S	S	*	*			trans	95.5	94.9	162.3	-77.6	-84.8	0	0	0	120.7
1201	L	26	Very low	30.4	Very low	179 Å²	179	145.9 Å²	145.9	94%	0.937	82%	0.817	S	S	*	*				-152.2	155.7	125.8	-106.2	174.5	0	0	0	110
1202	G	26.3	Very low	30.9	Very low	64 Å²	64	142.7 Å²	142.7	66%	0.66	81%	0.813	S	S	*	*			trans	169.1	-171.9	176.7	0	0	0	0	0	110
1203	P	54.6	Low	31.2	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	82%	0.822	S	S	*	*			cis	-118.8	158.9	-12	39.9	-28	0	0	0	113.5
1204	D	29.1	Very low	31.2	Very low	239 Å²	239	145 Å²	145	100%	1.278	82%	0.824	S	S	*	*			trans	161.6	0	141	-86.4	-7.1	0	0	0	110.7

Retrieved 1,204 of 1,204 residues in 3609.6 ms (Link to these results)

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