A0A087YEJ0_POEFO Loading...

ADAM metallopeptidase domain 22

AlphaFold DB , UniProt , Accession A0A087YEJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 951 aa.

						>A0A087YEJ0_POEFO|A0A087YEJ0
MMLRMPWWISLLCVCGLMHVGHQSSLDASNGDALSSLEALRDAGRFVGKENTVPLRLVYSSQNHSQITHDELSTRVKASPDSTQMEHVIQATFQVDAFGKTFILDVELNHDLLSSGYQERHLSENGKIVVTKGGEHCYYQGRVRDAPRSFAALSTCHGLHGMFFDGNHTYMIEPGGQASNSGDLQVHLIYKSAGQEELSDFFGGDLPEPPFPSPPFPESKVVHWRKKRQAPRLSRSVEDETKYIELMVINDHVMYKKHRLSVGHTNNNAKTVVNIADMIFREQLNTQIVLVAMETWSVDNKFNIDDDPMVTLKEFMKYRKDFIKEKCDSVHLFSGNQFHSNRGAVSYTGGVCSLTKGGGVNEYGKTNEMAITLAQSLGQNIGIFSDKKRILNGECKCDDRWAGCIMDDVGFYLPKKFTDCNVEEYHNFLNSGGGACLFNKPRKLLDPPECGNGILEAGEECDCGSTEECAKEGENCCKNCTLTKGSNCSNGLCCRNCQMEVVGVLCRDAVNDCDIPEKCTGNSSQCPPNVHKMDGYTCEKDQGRCFNGRCKTKDRQCKYIWGEKATAADKFCYEKLNIEGTEKGNCGKEKDTWIQCNKQDVHCGYLLCSNISPAPRLGDLQGGLTSFSVAQHGAPLDCSGAHVLIDGDTDLGYVEDGTACGTDSICLDHKCLPIEQFNFSTCPGTTDKTICSGHGVCSNELRCVCELGWTGDDCYSRSPFSNLVVGPTAPVSGITSTNIIIGAITGSILFLALILAVTAWCYKSYKKRRYAESEVHRRFCRQIPPGDYVTKPGDADSFYSDMPPGVSTNSGCSSKKRSACLSHLQICTLSFTPSFPSISQNFSVFGFRSNGLSHSWSERIPDAKHITDICENGRPRSNSWQGNLSGNRKKLKGKKFRARSNSTETLSPAKSPTSSTGSIASSRRYPYPMPPLPDDQRKANRQNARLWETSI
					

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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	29	Very low	30.7	Very low	235 Å²	235	165.6 Å²	165.6	100%	1.158	80%	0.799	S	S	*	*				0	124.4	0	-167	160.9	87.8	0	0	107.1
2	M	27.9	Very low	30.4	Very low	172 Å²	172	165.8 Å²	165.8	85%	0.847	81%	0.806	S	S	*	*			trans	31.4	145.4	157	-62.4	-166.2	158.2	0	0	121.5
3	L	27.4	Very low	30.2	Very low	134 Å²	134	161.5 Å²	161.5	70%	0.702	80%	0.801	S	S	*	*			cis	179.4	149.1	-19.6	-125	160.7	0	0	0	107.6
4	R	26.9	Very low	30.2	Very low	220 Å²	220	159.4 Å²	159.4	83%	0.83	80%	0.801	S	S	*	*			trans	72.6	123.7	164.5	-54.9	176.8	174.1	172.5	-3.7	118.4
5	M	29.5	Very low	30	Very low	177 Å²	177	157.1 Å²	157.1	87%	0.872	80%	0.804	S	S	*	*			cis	63.4	156.3	49.4	-82.5	-147.5	171.7	0	0	116.2
6	P	55.6	Low	29.8	Very low	98 Å²	98	151.7 Å²	151.7	64%	0.636	80%	0.799	S	S	*	*			cis	-145.7	-166.4	-16.3	29.5	-4.1	0	0	0	116.2
7	W	26.7	Very low	29.9	Very low	196 Å²	196	152.5 Å²	152.5	74%	0.742	80%	0.803	S	S	*	*			trans	125.5	143.2	154.9	-73.5	19.7	0	0	0	112.5
8	W	25.1	Very low	29.6	Very low	182 Å²	182	153.2 Å²	153.2	69%	0.689	80%	0.804	S	S	*	*			cis	-149.7	144.8	-13.5	-105.5	1.4	0	0	0	107.5
9	I	31.8	Very low	29.3	Very low	140 Å²	140	154.1 Å²	154.1	72%	0.718	80%	0.803	S	S	*	*				57.3	122.2	84.9	-54.3	178.3	0	0	0	112.9
10	S	28.5	Very low	29.1	Very low	111 Å²	111	153 Å²	153	78%	0.776	80%	0.802	S	S	*	*			cis	-146	153.4	20.4	-150.6	0	0	0	0	115.9
11	L	29.5	Very low	28.8	Very low	157 Å²	157	148.5 Å²	148.5	82%	0.822	79%	0.794	S	S	*	*			trans	-95.1	171.3	156.2	-151.1	87.5	0	0	0	109.4
12	L	27.3	Very low	28.5	Very low	167 Å²	167	145.8 Å²	145.8	87%	0.874	78%	0.778	S	S	*	*			trans	-127.8	141.2	166.7	-99.6	166.2	0	0	0	111.2
13	C	27.7	Very low	28.3	Very low	110 Å²	110	145.1 Å²	145.1	74%	0.743	77%	0.772	S	S	*	*			trans	-83.7	-178.6	-175.7	-55.6	0	0	0	0	111.8
14	V	30.2	Very low	28	Very low	132 Å²	132	144 Å²	144	80%	0.8	78%	0.776	S	S	*	*				-168.2	150.5	61.4	166.2	0	0	0	0	112.7
15	C	27.7	Very low	28	Very low	126 Å²	126	138.9 Å²	138.9	85%	0.851	77%	0.774	S	S	*	*			trans	-17.3	164.8	162.3	-48.5	0	0	0	0	121.6
16	G	26.6	Very low	27.7	Very low	70 Å²	70	139 Å²	139	72%	0.722	78%	0.777	S	S	*	*			cis	159.2	169	-6.8	0	0	0	0	0	116.3
17	L	30.6	Very low	26.4	Very low	166 Å²	166	142.1 Å²	142.1	87%	0.869	79%	0.789	S	S	*	*			trans	67.7	117.2	155	-69.1	164.8	0	0	0	124.4
18	M	24.8	Very low	26.3	Very low	165 Å²	165	137.5 Å²	137.5	81%	0.813	79%	0.792	S	S	*	*			trans	37.2	135.4	135.2	-56.4	-64.2	-153.9	0	0	120.9
19	H	24.2	Very low	26.4	Very low	169 Å²	169	134 Å²	134	78%	0.782	80%	0.795	S	S	*	*				-179.3	158.4	62.9	-146.6	-56.4	0	0	0	113.6
20	V	25.3	Very low	26.2	Very low	132 Å²	132	136 Å²	136	80%	0.8	81%	0.808	S	S	*	*			trans	70.9	128.9	166	-165.5	0	0	0	0	116.4
21	G	22.9	Very low	26.3	Very low	60 Å²	60	133 Å²	133	62%	0.619	79%	0.793	S	S	*	*			cis	135	127.5	13	0	0	0	0	0	111.1
22	H	22.6	Very low	26.3	Very low	177 Å²	177	131.6 Å²	131.6	82%	0.819	79%	0.787	S	S	*	*			trans	72.5	132.9	171.6	-96.4	45.4	0	0	0	116.4
23	Q	22.8	Very low	26.3	Very low	158 Å²	158	127.7 Å²	127.7	74%	0.738	78%	0.779	S	S	*	*			cis	178.4	158.7	34.7	-170.6	158.9	-6.3	0	0	111.3
24	S	22.2	Very low	26.3	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	77%	0.773	S	S	*	*			trans	62.9	117.1	160.9	39.1	0	0	0	0	121.6
25	S	27.4	Very low	26.2	Very low	113 Å²	113	124.7 Å²	124.7	79%	0.79	76%	0.755	S	S	*	*			trans	-65.2	148.1	158.8	50.2	0	0	0	0	113.9
26	L	23.3	Very low	26.2	Very low	179 Å²	179	121.7 Å²	121.7	94%	0.937	74%	0.735	S	S	*	*			trans	-155.7	125.6	152.9	-105.4	161	0	0	0	108.7
27	D	28	Very low	26.3	Very low	164 Å²	164	124 Å²	124	88%	0.877	73%	0.73	S	S	*	*			trans	-75.7	139.1	178.5	-68.4	-63.2	0	0	0	112.2
28	A	24.4	Very low	26.4	Very low	98 Å²	98	121.7 Å²	121.7	81%	0.81	72%	0.715	S	S	*	*			trans	-162.1	120.5	155.2	0	0	0	0	0	113.8
29	S	25.7	Very low	26.5	Very low	108 Å²	108	117 Å²	117	76%	0.755	70%	0.702	S	S	*	*			trans	58.8	92.2	141.4	-168.1	0	0	0	0	120.7
30	N	28.9	Very low	26.7	Very low	184 Å²	184	115.3 Å²	115.3	98%	0.984	70%	0.698	S	S	*	*			trans	-84.2	104.7	148.7	-104.3	-10.1	0	0	0	108.8
31	G	29.5	Very low	27	Very low	46 Å²	46	117 Å²	117	47%	0.474	69%	0.69	S	S	.	*			trans	-127.2	-30	-179	0	0	0	0	0	116.1
32	D	29.7	Very low	27.6	Very low	129 Å²	129	118.5 Å²	118.5	69%	0.69	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	4	-159.4	-59	-47.1	0	0	0	115.9	S36	D32-S36 PolarHBondContact O-OG 3.32Å
33	A	27.3	Very low	28	Very low	85 Å²	85	114.3 Å²	114.3	70%	0.702	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-16.9	179.4	0	0	0	0	0	114.1	S36	A33-S36 PolarHBondContact O-OG 3.16Å
34	L	28.8	Very low	28.5	Very low	121 Å²	121	108.4 Å²	108.4	63%	0.634	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-45.4	-179.1	-160.9	73.6	0	0	0	111.8	S36 L37 E38	L34-S36 VanDerWaalsContact C-N 3.28Å; L34-S36 PolarHBondContact O-N 3.1Å; L34-L37 WeakPolarHBondContact O-CA 3.42Å; L34-L37 WeakPolarHBondContact O-CB 3.46Å; L34-L37 PolarHBondContact O-N 2.69Å; L34-E38 WeakPolarHBondContact O-CG 3.27Å; L34-E38 PolarHBondContact O-N 2.94Å
35	S	27.8	Very low	29.8	Very low	58 Å²	58	105.8 Å²	105.8	41%	0.406	64%	0.635	S	S	.	*	H	α-helix	trans	-63.5	-32.2	179.6	59.8	0	0	0	0	113.2	L37 E38 A39	S35-L37 VanDerWaalsContact C-N 3.35Å; S35-E38 PolarHBondContact O-N 3.27Å; S35-A39 WeakPolarHBondContact O-CB 3.35Å; S35-A39 PolarHBondContact O-N 3.11Å
36	S	27.1	Very low	30.8	Very low	63 Å²	63	102.6 Å²	102.6	44%	0.441	61%	0.607	S	S	.	*	H	α-helix	trans	-70.1	-29.9	173.5	45	0	0	0	0	112.7	D32 A33 L34 L40	D32-S36 PolarHBondContact O-OG 3.32Å; A33-S36 PolarHBondContact O-OG 3.16Å; L34-S36 VanDerWaalsContact C-N 3.28Å; L34-S36 PolarHBondContact O-N 3.1Å; S36-L40 PolarHBondContact O-N 3.12Å
37	L	29.6	Very low	32.1	Very low	119 Å²	119	97.3 Å²	97.3	62%	0.623	58%	0.582	S	S	*	*	H	α-helix	trans	-77.3	-37.2	172.2	-150.2	81.7	0	0	0	111.8	L34 S35 L40 R41	L34-L37 WeakPolarHBondContact O-CA 3.42Å; L34-L37 WeakPolarHBondContact O-CB 3.46Å; L34-L37 PolarHBondContact O-N 2.69Å; S35-L37 VanDerWaalsContact C-N 3.35Å; L37-L40 PolarHBondContact O-N 3.11Å; L37-R41 WeakPolarHBondContact O-CB 3.06Å; L37-R41 PolarHBondContact O-N 2.79Å
38	E	32	Very low	33.7	Very low	117 Å²	117	90.4 Å²	90.4	55%	0.547	55%	0.549	S	S	.	.	H	α-helix	trans	-62	-46	173.6	-70.8	175.6	138.5	0	0	111.7	L34 S35 L40 R41 D42	L34-E38 WeakPolarHBondContact O-CG 3.27Å; L34-E38 PolarHBondContact O-N 2.94Å; S35-E38 PolarHBondContact O-N 3.27Å; E38-L40 VanDerWaalsContact C-N 3.29Å; E38-L40 PolarHBondContact O-N 3.43Å; E38-R41 WeakPolarHBondContact O-CA 3.27Å; E38-R41 WeakPolarHBondContact O-CB 3.4Å; E38-R41 PolarHBondContact O-N 2.82Å; E38-D42 PolarHBondContact O-N 2.8Å; E38-D42 VanDerWaalsContact O-N 3.11Å
39	A	26.2	Very low	36.1	Very low	65 Å²	65	91.3 Å²	91.3	54%	0.537	54%	0.535	S	S	.	.	H	α-helix	trans	-59.9	-37.6	176.2	0	0	0	0	0	112.8	S35 R41 A43	S35-A39 WeakPolarHBondContact O-CB 3.35Å; S35-A39 PolarHBondContact O-N 3.11Å; A39-R41 VanDerWaalsContact C-N 3.35Å; A39-A43 WeakPolarHBondContact O-CB 3.36Å; A39-A43 PolarHBondContact O-N 3.26Å
40	L	29.1	Very low	38.9	Very low	134 Å²	134	89.8 Å²	89.8	70%	0.702	52%	0.516	S	S	*	.	H	α-helix	trans	-70.8	-26.9	172.9	-92.7	156.4	0	0	0	113.2	S36 L37 E38	S36-L40 PolarHBondContact O-N 3.12Å; L37-L40 PolarHBondContact O-N 3.11Å; E38-L40 VanDerWaalsContact C-N 3.29Å; E38-L40 PolarHBondContact O-N 3.43Å
41	R	32.5	Very low	41.4	Very low	168 Å²	168	86.2 Å²	86.2	63%	0.634	50%	0.497	S	S	*	.	H	α-helix	trans	-82	-17.3	179.6	-159.6	178.8	177.1	-170.2	-2.2	113.6	L37 E38 A39 R45	L37-R41 WeakPolarHBondContact O-CB 3.06Å; L37-R41 PolarHBondContact O-N 2.79Å; E38-R41 WeakPolarHBondContact O-CA 3.27Å; E38-R41 WeakPolarHBondContact O-CB 3.4Å; E38-R41 PolarHBondContact O-N 2.82Å; A39-R41 VanDerWaalsContact C-N 3.35Å; R41-R45 PolarHBondContact O-NE 2.78Å; R41-R45 PolarHBondContact O-NH2 3.5Å; R41-R45 VanDerWaalsContact O-NH2 3.13Å
42	D	35.4	Very low	44	Very low	92 Å²	92	84.3 Å²	84.3	49%	0.492	48%	0.476	S	S	.	.	H	α-helix	trans	-97	-27.4	176.5	-115.8	-25.6	0	0	0	113.4	E38 G44 K365	E38-D42 PolarHBondContact O-N 2.8Å; E38-D42 VanDerWaalsContact O-N 3.11Å; D42-G44 PolarHBondContact O-N 3.32Å; D42-K365 IonicContact OD1-NZ 2.61Å; D42-K365 PolarHBondContact OD1-NZ 3.08Å
43	A	30.3	Very low	46.5	Very low	89 Å²	89	80.7 Å²	80.7	74%	0.736	46%	0.458	S	S	*	.	S	Bend	trans	-77.2	-15.6	-169	0	0	0	0	0	116.4	A39	A39-A43 WeakPolarHBondContact O-CB 3.36Å; A39-A43 PolarHBondContact O-N 3.26Å
44	G	33.4	Very low	49.1	Very low	34 Å²	34	76.7 Å²	76.7	35%	0.351	43%	0.425	S	S	.	.	S	Bend	trans	-117.1	-2.3	-168	0	0	0	0	0	118	D42 F46 F411	D42-G44 PolarHBondContact O-N 3.32Å; G44-F46 PolarHBondContact O-N 3.33Å; G44-F411 WeakPolarHBondContact O-CE1 3.15Å; G44-F411 WeakPolarHBondContact O-CZ 2.98Å
45	R	50.2	Low	51.8	Low	55 Å²	55	72.3 Å²	72.3	21%	0.208	40%	0.402	C	S	.	.	S	Bend	trans	-69	-4.7	-167.8	-62.2	-172.4	-161	-177.6	2.7	116	R41 E368 F411	R41-R45 PolarHBondContact O-NE 2.78Å; R41-R45 PolarHBondContact O-NH2 3.5Å; R41-R45 VanDerWaalsContact O-NH2 3.13Å; R45-E368 IonicContact CZ-OE1 2.72Å; R45-E368 IonicContact NH1-OE1 2.61Å; R45-E368 PolarHBondContact NH1-OE1 2.91Å; R45-E368 IonicContact NH1-OE2 3.34Å; R45-F411 HydrophobicContact CG-CD2 4.09Å; R45-F411 HydrophobicContact CG-CE2 3.8Å; R45-F411 HydrophobicContact CG-CZ 4.05Å
46	F	48.5	Very low	54.3	Low	47 Å²	47	71.1 Å²	71.1	21%	0.206	39%	0.389	C	S	.	.			trans	-135.5	134.2	-178.5	-58.7	-76.1	0	0	0	110.5	G44 G48 M171 Y190	G44-F46 PolarHBondContact O-N 3.33Å; F46-G48 PolarHBondContact O-N 2.8Å; F46-M171 HydrophobicContact CE1-CE 3.93Å; F46-M171 HydrophobicContact CE1-SD 4.45Å; F46-M171 HydrophobicContact CE2-CE 3.88Å; F46-M171 HydrophobicContact CZ-CE 3.32Å; F46-M171 HydrophobicContact CZ-SD 4.13Å; F46-Y190 HydrophobicContact CB-CD1 3.94Å; F46-Y190 HydrophobicContact CD1-CD1 4.28Å; F46-Y190 HydrophobicContact CD1-CG 4.21Å; F46-Y190 AromaticContact CD2-CD1 3.28Å; F46-Y190 HydrophobicContact CD2-CD1 3.28Å; F46-Y190 AromaticContact CD2-CE1 3.82Å; F46-Y190 HydrophobicContact CD2-CE1 3.82Å; F46-Y190 AromaticContact CD2-CG 3.89Å; F46-Y190 HydrophobicContact CD2-CG 3.89Å; F46-Y190 HydrophobicContact CE1-CG 4.42Å; F46-Y190 AromaticContact CE2-CD1 3.82Å; F46-Y190 HydrophobicContact CE2-CD1 3.82Å; F46-Y190 HydrophobicContact CE2-CE1 4.18Å; F46-Y190 HydrophobicContact CE2-CG 4.13Å; F46-Y190 AromaticContact CG-CD1 3.55Å; F46-Y190 HydrophobicContact CG-CD1 3.55Å; F46-Y190 HydrophobicContact CG-CE1 4.5Å; F46-Y190 AromaticContact CG-CG 3.94Å; F46-Y190 HydrophobicContact CG-CG 3.94Å; F46-Y190 HydrophobicContact CZ-CG 4.4Å
47	V	50.6	Low	56.8	Low	68 Å²	68	68.8 Å²	68.8	41%	0.412	37%	0.371	S	S	.	.	S	Bend	trans	-72.6	-22.3	-177.7	179.1	0	0	0	0	111.6	A193 E197 Y412	V47-A193 HydrophobicContact CG2-CB 3.55Å; V47-E197 WeakPolarHBondContact CG1-OE2 3.3Å; V47-Y412 HydrophobicContact CG2-CE1 4.46Å
48	G	60.5	Low	58.8	Low	18 Å²	18	65.8 Å²	65.8	19%	0.186	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	136.8	167.2	0	0	0	0	0	111.7	F46 F98 Y190 K191	F46-G48 PolarHBondContact O-N 2.8Å; G48-F98 WeakPolarHBondContact O-CZ 3.2Å; G48-Y190 WeakPolarHBondContact O-CA 3.29Å; G48-K191 PolarHBondContact O-N 3.49Å
49	K	75.8	Confident	60.3	Low	118 Å²	118	66.9 Å²	66.9	51%	0.513	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.4	167.8	177.4	-179.6	-175.6	154.6	0	107.9	Y190	K49-Y190 HydrophobicContact CB-CD1 4.05Å; K49-Y190 HydrophobicContact CB-CE1 4.15Å; K49-Y190 HydrophobicContact CD-CD1 4.37Å; K49-Y190 HydrophobicContact CD-CE1 3.62Å; K49-Y190 HydrophobicContact CG-CD1 3.99Å; K49-Y190 HydrophobicContact CG-CE1 3.69Å; K49-Y190 PolarHBondContact NZ-OH 3.03Å
50	E	82.8	Confident	61.3	Low	75 Å²	75	65 Å²	65	35%	0.35	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.3	178.1	-165.5	168.7	170.3	0	0	110.3	F98 I189	E50-F98 HydrophobicContact CB-CE1 4.09Å; E50-F98 HydrophobicContact CB-CE2 4.47Å; E50-F98 HydrophobicContact CB-CZ 3.97Å; E50-F98 VanDerWaalsContact OE2-CA 3.31Å; E50-F98 WeakPolarHBondContact OE2-CA 3.47Å; E50-F98 PolarHBondContact OE2-N 3.49Å; E50-I189 HydrophobicContact CB-CG2 4.03Å; E50-I189 PolarHBondContact N-O 3.33Å; E50-I189 PolarHBondContact O-N 3.17Å
51	N	82.5	Confident	62	Low	110 Å²	110	63.6 Å²	63.6	59%	0.588	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.7	170.7	-65.7	-8.5	0	0	0	107.6	V186 H187 L188	N51-V186 HydrophobicContact CB-CG1 4Å; N51-H187 WeakPolarHBondContact CA-O 3.26Å; N51-L188 WeakPolarHBondContact OD1-CD2 3.35Å
52	T	82.7	Confident	62.7	Low	5 Å²	5	64.1 Å²	64.1	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.7	176.8	-173.8	0	0	0	0	110.2	V95 D96 I172 H187 I189	T52-V95 HydrophobicContact CG2-CG1 3.93Å; T52-D96 VanDerWaalsContact CB-O 3.32Å; T52-D96 WeakPolarHBondContact CB-O 3.14Å; T52-D96 PolarHBondContact OG1-O 2.77Å; T52-I172 HydrophobicContact CG2-CD1 4.23Å; T52-H187 HydrophobicContact CG2-CB 4.06Å; T52-H187 PolarHBondContact N-O 3.35Å; T52-H187 PolarHBondContact O-N 2.86Å; T52-I189 HydrophobicContact CG2-CB 3.89Å; T52-I189 HydrophobicContact CG2-CG2 3.74Å
53	V	83.1	Confident	63.1	Low	53 Å²	53	65.7 Å²	65.7	32%	0.321	36%	0.36	S	S	.	.			trans	-112.6	95.8	167.9	-179.9	0	0	0	0	105.9	L55 L184	V53-L55 HydrophobicContact CG1-CD2 4.45Å; V53-L184 HydrophobicContact CG1-CD2 3.79Å
54	P	83	Confident	63.8	Low	1 Å²	1	68.7 Å²	68.7	1%	0.006	36%	0.359	C	S	.	.			trans	-70.7	147.1	178.2	29.6	-31.1	0	0	0	109.5	L72 Q94 V95 L159 I172 H187	P54-L72 HydrophobicContact CB-CD2 4.1Å; P54-L72 HydrophobicContact CG-CD1 3.77Å; P54-L72 HydrophobicContact CG-CD2 4.01Å; P54-L72 WeakPolarHBondContact O-CD2 3.01Å; P54-Q94 CarbonylContact C-O 3.53Å; P54-Q94 VanDerWaalsContact CA-O 3.24Å; P54-Q94 WeakPolarHBondContact CA-O 3.28Å; P54-V95 HydrophobicContact CB-CG2 4.04Å; P54-L159 HydrophobicContact CB-CD2 3.81Å; P54-L159 HydrophobicContact CG-CB 4.49Å; P54-L159 HydrophobicContact CG-CD2 4Å; P54-I172 HydrophobicContact CB-CD1 4.47Å; P54-I172 HydrophobicContact CG-CD1 4.22Å; P54-H187 WeakPolarHBondContact CD-ND1 3.2Å; P54-H187 HydrophobicContact CG-CB 4.18Å; P54-H187 WeakPolarHBondContact CG-ND1 3.14Å
55	L	83.6	Confident	64.5	Low	30 Å²	30	69.2 Å²	69.2	16%	0.157	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.6	-177.6	-61.2	173.7	0	0	0	109.7	V53 T68 D70 F93 Q94	V53-L55 HydrophobicContact CG1-CD2 4.45Å; L55-T68 HydrophobicContact CB-CG2 4.39Å; L55-T68 HydrophobicContact CD1-CG2 3.95Å; L55-D70 VanDerWaalsContact CD2-OD1 3.29Å; L55-D70 WeakPolarHBondContact CD2-OD1 3.38Å; L55-F93 CarbonylContact O-C 3.55Å; L55-F93 WeakPolarHBondContact O-CA 3.27Å; L55-Q94 HydrophobicContact CB-CB 4.47Å; L55-Q94 PolarHBondContact N-O 3.3Å; L55-Q94 PolarHBondContact O-N 2.82Å
56	R	81	Confident	64.8	Low	32 Å²	32	71.1 Å²	71.1	12%	0.121	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.1	172.7	-172.9	178.3	177.3	-162.9	-3.9	109.5	V58 H69 S73 V88 F93	R56-V58 HydrophobicContact CG-CG2 4.37Å; R56-H69 HydrophobicContact CB-CB 4.45Å; R56-H69 PolarHBondContact N-O 3.37Å; R56-H69 PolarHBondContact O-N 2.85Å; R56-S73 PolarHBondContact NH1-O 3.23Å; R56-V88 VanDerWaalsContact NH2-CG2 3.35Å; R56-F93 HydrophobicContact CB-CD1 4.19Å; R56-F93 HydrophobicContact CB-CE1 4.09Å; R56-F93 HydrophobicContact CG-CD1 4.38Å; R56-F93 HydrophobicContact CG-CE1 4.05Å
57	L	79.5	Confident	65.6	Low	15 Å²	15	72.4 Å²	72.4	8%	0.079	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.9	175.1	-60.4	-176.5	0	0	0	109.9	T68 T92 Q94 I103	L57-T68 HydrophobicContact CD2-CG2 3.55Å; L57-T92 HydrophobicContact CB-CG2 4.04Å; L57-T92 HydrophobicContact CD1-CG2 3.88Å; L57-T92 HydrophobicContact CG-CG2 4.31Å; L57-T92 PolarHBondContact N-O 3.21Å; L57-Q94 HydrophobicContact CD1-CB 4.22Å; L57-Q94 HydrophobicContact CD2-CB 4.34Å; L57-Q94 HydrophobicContact CG-CB 4.18Å; L57-I103 HydrophobicContact CD1-CG2 4.35Å
58	V	72.6	Confident	66	Low	56 Å²	56	72.8 Å²	72.8	34%	0.339	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.8	177.2	-178.1	0	0	0	0	109.4	R56 S60 I67 H69	R56-V58 HydrophobicContact CG-CG2 4.37Å; V58-S60 PolarHBondContact O-N 2.91Å; V58-I67 PolarHBondContact N-O 2.84Å; V58-I67 PolarHBondContact O-N 3.32Å; V58-H69 VanDerWaalsContact CG2-CD2 3.5Å; V58-H69 WeakPolarHBondContact CG2-CD2 3.19Å
59	Y	62.2	Low	66.1	Low	139 Å²	139	75.9 Å²	75.9	55%	0.545	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.3	-178.7	-168.7	-95.3	0	0	0	111.5	H64 Q66	Y59-H64 PolarHBondContact OH-ND1 3.24Å; Y59-Q66 HydrophobicContact CD2-CG 4.33Å
60	S	48.3	Very low	65.2	Low	27 Å²	27	74.6 Å²	74.6	19%	0.189	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	109.2	175.5	-177.5	0	0	0	0	111.7	V58 Q62 N63 H64 S65	V58-S60 PolarHBondContact O-N 2.91Å; S60-Q62 PolarHBondContact O-N 3.07Å; S60-Q62 VanDerWaalsContact O-N 3.11Å; S60-N63 PolarHBondContact O-N 2.96Å; S60-H64 PolarHBondContact O-N 2.94Å; S60-H64 VanDerWaalsContact O-N 3.12Å; S60-S65 PolarHBondContact N-O 3.12Å; S60-S65 VanDerWaalsContact N-O 3.15Å
61	S	43.8	Very low	64.4	Low	104 Å²	104	77.5 Å²	77.5	73%	0.727	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.1	175.2	-173.2	0	0	0	0	113.8
62	Q	45.8	Very low	63.7	Low	179 Å²	179	72.5 Å²	72.5	84%	0.836	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-25.7	-179.1	-67.7	-176.1	-6.7	0	0	114.1	S60	S60-Q62 PolarHBondContact O-N 3.07Å; S60-Q62 VanDerWaalsContact O-N 3.11Å
63	N	44.4	Very low	63.1	Low	125 Å²	125	73.7 Å²	73.7	67%	0.668	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	-0.9	-173.4	-84.2	-6.5	0	0	0	114.6	S60 S65	S60-N63 PolarHBondContact O-N 2.96Å; N63-S65 WeakPolarHBondContact CB-OG 3.24Å; N63-S65 PolarHBondContact O-N 3.34Å; N63-S65 VanDerWaalsContact O-N 3.11Å
64	H	46	Very low	62.7	Low	152 Å²	152	71.1 Å²	71.1	70%	0.704	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	26.4	-170.9	-68.6	-63.8	0	0	0	114.1	Y59 S60	Y59-H64 PolarHBondContact OH-ND1 3.24Å; S60-H64 PolarHBondContact O-N 2.94Å; S60-H64 VanDerWaalsContact O-N 3.12Å
65	S	47.8	Very low	62.4	Low	45 Å²	45	75.5 Å²	75.5	32%	0.315	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.2	-178.1	61	0	0	0	0	111	S60 N63	S60-S65 PolarHBondContact N-O 3.12Å; S60-S65 VanDerWaalsContact N-O 3.15Å; N63-S65 WeakPolarHBondContact CB-OG 3.24Å; N63-S65 PolarHBondContact O-N 3.34Å; N63-S65 VanDerWaalsContact O-N 3.11Å
66	Q	57	Low	61.8	Low	95 Å²	95	77.7 Å²	77.7	44%	0.444	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.5	166.1	-69.2	176.5	-28.9	0	0	109.2	Y59	Y59-Q66 HydrophobicContact CD2-CG 4.33Å
67	I	65.4	Low	60.8	Low	74 Å²	74	82.4 Å²	82.4	38%	0.379	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.1	174.9	-57.5	-179.8	0	0	0	107.4	V58	V58-I67 PolarHBondContact N-O 2.84Å; V58-I67 PolarHBondContact O-N 3.32Å
68	T	58.1	Low	59.4	Low	75 Å²	75	84 Å²	84	46%	0.46	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.6	172.2	46.8	0	0	0	0	110	L55 L57	L55-T68 HydrophobicContact CB-CG2 4.39Å; L55-T68 HydrophobicContact CD1-CG2 3.95Å; L57-T68 HydrophobicContact CD2-CG2 3.55Å
69	H	62.9	Low	58.2	Low	84 Å²	84	84.1 Å²	84.1	39%	0.389	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.2	170.1	-73.7	-100.7	0	0	0	110	R56 V58 E71	R56-H69 HydrophobicContact CB-CB 4.45Å; R56-H69 PolarHBondContact N-O 3.37Å; R56-H69 PolarHBondContact O-N 2.85Å; V58-H69 VanDerWaalsContact CG2-CD2 3.5Å; V58-H69 WeakPolarHBondContact CG2-CD2 3.19Å; H69-E71 VanDerWaalsContact C-N 3.26Å; H69-E71 PolarHBondContact O-N 2.92Å
70	D	57.2	Low	57.6	Low	90 Å²	90	82.7 Å²	82.7	48%	0.481	45%	0.445	S	S	.	.	S	Bend	trans	-72.3	-21.8	175.6	-54.2	-38.4	0	0	0	111.9	L55 L72	L55-D70 VanDerWaalsContact CD2-OD1 3.29Å; L55-D70 WeakPolarHBondContact CD2-OD1 3.38Å; D70-L72 PolarHBondContact O-N 3.38Å
71	E	64.7	Low	57.4	Low	137 Å²	137	89 Å²	89	64%	0.64	48%	0.477	S	S	*	.			trans	-79.6	103	175.9	-162.8	-176.4	169.9	0	0	111.2	H69 S73	H69-E71 VanDerWaalsContact C-N 3.26Å; H69-E71 PolarHBondContact O-N 2.92Å; E71-S73 PolarHBondContact O-N 2.75Å; E71-S73 VanDerWaalsContact OE1-CB 3.29Å; E71-S73 WeakPolarHBondContact OE1-CB 3.33Å
72	L	68.9	Low	57.4	Low	5 Å²	5	85.5 Å²	85.5	3%	0.026	45%	0.453	C	S	.	.			trans	-70.5	-8.9	177.1	-65.9	162.4	0	0	0	114.2	P54 D70 T74 F93 L159 Q185 H187	P54-L72 HydrophobicContact CB-CD2 4.1Å; P54-L72 HydrophobicContact CG-CD1 3.77Å; P54-L72 HydrophobicContact CG-CD2 4.01Å; P54-L72 WeakPolarHBondContact O-CD2 3.01Å; D70-L72 PolarHBondContact O-N 3.38Å; L72-T74 PolarHBondContact O-N 2.73Å; L72-F93 HydrophobicContact CD2-CD1 3.78Å; L72-F93 HydrophobicContact CD2-CE1 3.92Å; L72-L159 HydrophobicContact CD1-CB 4.35Å; L72-L159 HydrophobicContact CD2-CD2 4.47Å; L72-Q185 HydrophobicContact CD1-CB 4.34Å; L72-H187 WeakPolarHBondContact CD1-CE1 3.41Å
73	S	70.7	Confident	57.5	Low	29 Å²	29	83.9 Å²	83.9	20%	0.203	46%	0.455	C	S	.	.			trans	-58.9	128	177.5	-175.7	0	0	0	0	110.5	R56 E71 R75	R56-S73 PolarHBondContact NH1-O 3.23Å; E71-S73 PolarHBondContact O-N 2.75Å; E71-S73 VanDerWaalsContact OE1-CB 3.29Å; E71-S73 WeakPolarHBondContact OE1-CB 3.33Å; S73-R75 WeakPolarHBondContact OG-CB 3.01Å; S73-R75 PolarHBondContact OG-N 3.02Å
74	T	74.3	Confident	57.8	Low	0 Å²	0	84.4 Å²	84.4	0%	0	45%	0.454	C	S	.	.			trans	-93.8	2.7	170.6	52.8	0	0	0	0	112.5	L72 H87 V88 A91 F93 Y139 T155	L72-T74 PolarHBondContact O-N 2.73Å; T74-H87 WeakPolarHBondContact O-CA 3.24Å; T74-H87 PolarHBondContact OG1-ND1 3.5Å; T74-V88 PolarHBondContact O-N 3.43Å; T74-V88 VanDerWaalsContact O-N 3.09Å; T74-A91 HydrophobicContact CG2-CB 4.17Å; T74-F93 HydrophobicContact CG2-CZ 3.89Å; T74-Y139 WeakPolarHBondContact CB-OH 3.27Å; T74-Y139 HydrophobicContact CG2-CE2 4.26Å; T74-Y139 WeakPolarHBondContact CG2-OH 3.15Å; T74-Y139 PolarHBondContact OG1-OH 2.98Å; T74-T155 HydrophobicContact CG2-CG2 4.1Å; T74-T155 PolarHBondContact OG1-OG1 2.88Å
75	R	76.4	Confident	58.5	Low	93 Å²	93	82.5 Å²	82.5	35%	0.351	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.8	-179.7	-63.6	-175.3	-174.1	133.2	0.2	111.2	S73 M85 E86 H87 E135 C156	S73-R75 WeakPolarHBondContact OG-CB 3.01Å; S73-R75 PolarHBondContact OG-N 3.02Å; R75-M85 HydrophobicContact CB-CB 4.18Å; R75-M85 HydrophobicContact CB-SD 3.82Å; R75-M85 HydrophobicContact CG-CB 4.48Å; R75-M85 HydrophobicContact CG-SD 4.35Å; R75-E86 CarbonylContact C-O 3.59Å; R75-E86 WeakPolarHBondContact CA-O 3.31Å; R75-H87 VanDerWaalsContact CG-CE1 3.47Å; R75-H87 WeakPolarHBondContact CG-CE1 3.47Å; R75-E135 IonicContact CZ-OE1 3.28Å; R75-E135 VanDerWaalsContact CZ-OE1 3.23Å; R75-E135 IonicContact NE-OE1 2.74Å; R75-E135 PolarHBondContact NE-OE1 3.19Å; R75-E135 IonicContact NH2-OE1 3.9Å; R75-E135 PolarHBondContact NH2-OE1 2.97Å; R75-E135 IonicContact NH2-OE2 3.07Å; R75-C156 PolarHBondContact NH2-O 2.89Å; R75-C156 VanDerWaalsContact NH2-O 3.11Å
76	V	71	Confident	59.4	Low	76 Å²	76	85.4 Å²	85.4	46%	0.461	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.3	174.4	-179.8	0	0	0	0	108.1	A78 M85 E86 V88	V76-A78 PolarHBondContact O-N 2.81Å; V76-M85 CarbonylContact O-C 3.58Å; V76-M85 WeakPolarHBondContact O-CA 3.4Å; V76-E86 PolarHBondContact N-O 3.34Å; V76-E86 PolarHBondContact O-N 2.93Å; V76-V88 HydrophobicContact CG2-CG2 3.44Å; V76-V88 VanDerWaalsContact CG2-CG2 3.44Å
77	K	59.4	Low	60.2	Low	131 Å²	131	82.1 Å²	82.1	57%	0.57	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.6	173.2	-69.5	-173.7	174.6	-171.6	0	110	S79	K77-S79 PolarHBondContact O-N 3.08Å
78	A	51.3	Low	60.7	Low	49 Å²	49	80.9 Å²	80.9	41%	0.405	44%	0.436	S	S	.	.	S	Bend	trans	-59.2	-27.2	175.9	0	0	0	0	0	113.3	V76 E86	V76-A78 PolarHBondContact O-N 2.81Å; A78-E86 VanDerWaalsContact CB-CD 3.43Å; A78-E86 HydrophobicContact CB-CG 4.1Å; A78-E86 WeakPolarHBondContact CB-OE1 3.42Å; A78-E86 WeakPolarHBondContact CB-OE2 3.36Å
79	S	46.2	Very low	61.4	Low	58 Å²	58	81.3 Å²	81.3	41%	0.406	43%	0.434	S	S	.	.	S	Bend	trans	-156.7	150.3	174.4	170.7	0	0	0	0	108.9	K77 D81 S82	K77-S79 PolarHBondContact O-N 3.08Å; S79-D81 PolarHBondContact O-N 3.11Å; S79-D81 VanDerWaalsContact O-N 3.13Å; S79-S82 WeakPolarHBondContact O-CB 3.41Å; S79-S82 PolarHBondContact O-N 3.18Å
80	P	50.8	Low	62.2	Low	108 Å²	108	83.5 Å²	83.5	70%	0.701	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.8	179.8	17.5	-32.3	0	0	0	114.6
81	D	43.5	Very low	63.5	Low	160 Å²	160	79.5 Å²	79.5	86%	0.856	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.4	177.8	-70.7	-31.8	0	0	0	114	S79	S79-D81 PolarHBondContact O-N 3.11Å; S79-D81 VanDerWaalsContact O-N 3.13Å
82	S	43.5	Very low	64.5	Low	31 Å²	31	74.1 Å²	74.1	22%	0.217	40%	0.401	C	S	.	.			trans	-80.9	135.7	178	-175	0	0	0	0	111.9	S79 Q84	S79-S82 WeakPolarHBondContact O-CB 3.41Å; S79-S82 PolarHBondContact O-N 3.18Å; S82-Q84 VanDerWaalsContact C-N 3.32Å; S82-Q84 WeakPolarHBondContact OG-CB 3.43Å; S82-Q84 PolarHBondContact OG-N 2.98Å; S82-Q84 PolarHBondContact OG-O 2.03Å
83	T	48.3	Very low	65.4	Low	145 Å²	145	73.9 Å²	73.9	89%	0.89	40%	0.399	S	S	*	.			trans	-83.7	-10.2	166	50.9	0	0	0	0	112.8
84	Q	50.6	Low	66.3	Low	135 Å²	135	74.5 Å²	74.5	63%	0.631	40%	0.399	S	S	*	.			trans	-85.3	117.3	179.5	-160.4	167.2	-5.1	0	0	109.1	S82	S82-Q84 VanDerWaalsContact C-N 3.32Å; S82-Q84 WeakPolarHBondContact OG-CB 3.43Å; S82-Q84 PolarHBondContact OG-N 2.98Å; S82-Q84 PolarHBondContact OG-O 2.03Å
85	M	61	Low	67	Low	112 Å²	112	74.5 Å²	74.5	55%	0.552	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	131.6	171.8	-58	-160.6	-149.8	0	0	109.4	R75 V76	R75-M85 HydrophobicContact CB-CB 4.18Å; R75-M85 HydrophobicContact CB-SD 3.82Å; R75-M85 HydrophobicContact CG-CB 4.48Å; R75-M85 HydrophobicContact CG-SD 4.35Å; V76-M85 CarbonylContact O-C 3.58Å; V76-M85 WeakPolarHBondContact O-CA 3.4Å
86	E	66.8	Low	67.5	Low	106 Å²	106	72.9 Å²	72.9	50%	0.495	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	157.8	174.1	-73.7	170	180	0	0	109.3	R75 V76 A78	R75-E86 CarbonylContact C-O 3.59Å; R75-E86 WeakPolarHBondContact CA-O 3.31Å; V76-E86 PolarHBondContact N-O 3.34Å; V76-E86 PolarHBondContact O-N 2.93Å; A78-E86 VanDerWaalsContact CB-CD 3.43Å; A78-E86 HydrophobicContact CB-CG 4.1Å; A78-E86 WeakPolarHBondContact CB-OE1 3.42Å; A78-E86 WeakPolarHBondContact CB-OE2 3.36Å
87	H	72.6	Confident	68.2	Low	27 Å²	27	69.4 Å²	69.4	13%	0.125	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.6	177.3	-73.2	-88.5	0	0	0	110.1	T74 R75 I89 L108 E135 H136	T74-H87 WeakPolarHBondContact O-CA 3.24Å; T74-H87 PolarHBondContact OG1-ND1 3.5Å; R75-H87 VanDerWaalsContact CG-CE1 3.47Å; R75-H87 WeakPolarHBondContact CG-CE1 3.47Å; H87-I89 PolarHBondContact O-N 2.87Å; H87-L108 HydrophobicContact CB-CD1 4.2Å; H87-L108 HydrophobicContact CB-CD2 4.46Å; H87-E135 IonicContact CE1-OE1 3.52Å; H87-E135 IonicContact NE2-OE1 2.75Å; H87-H136 PolarHBondContact CD2-O 3.07Å
88	V	76.6	Confident	69.4	Low	48 Å²	48	65.7 Å²	65.7	29%	0.291	36%	0.36	S	S	.	.			trans	-68.1	130.1	178.2	-173	0	0	0	0	110.4	R56 T74 V76 Q90 Y139	R56-V88 VanDerWaalsContact NH2-CG2 3.35Å; T74-V88 PolarHBondContact O-N 3.43Å; T74-V88 VanDerWaalsContact O-N 3.09Å; V76-V88 HydrophobicContact CG2-CG2 3.44Å; V76-V88 VanDerWaalsContact CG2-CG2 3.44Å; V88-Q90 VanDerWaalsContact C-N 3.31Å; V88-Q90 VanDerWaalsContact CG1-O 3.26Å; V88-Q90 WeakPolarHBondContact CG1-O 3.43Å; V88-Q90 PolarHBondContact O-N 3.19Å; V88-Y139 WeakPolarHBondContact O-CE1 3.39Å; V88-Y139 PolarHBondContact O-OH 2.82Å
89	I	73.4	Confident	70.8	Confident	83 Å²	83	67.4 Å²	67.4	43%	0.426	38%	0.382	S	S	.	.	S	Bend	trans	-53.3	-45.7	-177.5	-57.2	171.5	0	0	0	111.9	H87 E107 L108	H87-I89 PolarHBondContact O-N 2.87Å; I89-E107 HydrophobicContact CG2-CG 4.47Å; I89-E107 CarbonylContact O-C 3.58Å; I89-E107 WeakPolarHBondContact O-CA 3.46Å; I89-L108 WeakPolarHBondContact O-CB 3.22Å; I89-L108 PolarHBondContact O-N 3.27Å
90	Q	79.1	Confident	72.7	Confident	130 Å²	130	69.4 Å²	69.4	61%	0.607	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.1	178.6	-67.3	179	-6.3	0	0	111.7	V88 E107	V88-Q90 VanDerWaalsContact C-N 3.31Å; V88-Q90 VanDerWaalsContact CG1-O 3.26Å; V88-Q90 WeakPolarHBondContact CG1-O 3.43Å; V88-Q90 PolarHBondContact O-N 3.19Å; Q90-E107 HydrophobicContact CG-CB 4.43Å; Q90-E107 HydrophobicContact CG-CG 4.18Å; Q90-E107 PolarHBondContact NE2-OE1 3.49Å
91	A	83.9	Confident	74.4	Confident	6 Å²	6	68.3 Å²	68.3	5%	0.05	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	140.6	176.8	0	0	0	0	0	110.8	T74 F93 V106 Y139	T74-A91 HydrophobicContact CG2-CB 4.17Å; A91-F93 HydrophobicContact CB-CD2 4.45Å; A91-F93 HydrophobicContact CB-CE2 3.68Å; A91-F93 HydrophobicContact CB-CZ 4Å; A91-V106 HydrophobicContact CB-CG2 4.33Å; A91-V106 PolarHBondContact N-O 3.42Å; A91-V106 VanDerWaalsContact O-CG2 3.29Å; A91-V106 WeakPolarHBondContact O-CG2 3.37Å; A91-V106 PolarHBondContact O-N 2.84Å; A91-Y139 HydrophobicContact CB-CE1 4.28Å
92	T	86.7	Confident	76.6	Confident	25 Å²	25	61.1 Å²	61.1	15%	0.153	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.5	169.4	-56.7	0	0	0	0	109.1	L57 I103 L104 D105	L57-T92 HydrophobicContact CB-CG2 4.04Å; L57-T92 HydrophobicContact CD1-CG2 3.88Å; L57-T92 HydrophobicContact CG-CG2 4.31Å; L57-T92 PolarHBondContact N-O 3.21Å; T92-I103 HydrophobicContact CG2-CG2 3.44Å; T92-I103 VanDerWaalsContact CG2-CG2 3.44Å; T92-L104 CarbonylContact C-O 3.02Å; T92-L104 VanDerWaalsContact CA-O 3.3Å; T92-L104 WeakPolarHBondContact CA-O 3.39Å; T92-D105 WeakPolarHBondContact CB-OD1 3.13Å; T92-D105 WeakPolarHBondContact CG2-OD1 3.32Å; T92-D105 PolarHBondContact OG1-OD1 2.89Å
93	F	88.2	Confident	78.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.3	174.3	-62.1	-81.5	0	0	0	110.6	L55 R56 L72 T74 A91 L104 V106 T155 L159	L55-F93 CarbonylContact O-C 3.55Å; L55-F93 WeakPolarHBondContact O-CA 3.27Å; R56-F93 HydrophobicContact CB-CD1 4.19Å; R56-F93 HydrophobicContact CB-CE1 4.09Å; R56-F93 HydrophobicContact CG-CD1 4.38Å; R56-F93 HydrophobicContact CG-CE1 4.05Å; L72-F93 HydrophobicContact CD2-CD1 3.78Å; L72-F93 HydrophobicContact CD2-CE1 3.92Å; T74-F93 HydrophobicContact CG2-CZ 3.89Å; A91-F93 HydrophobicContact CB-CD2 4.45Å; A91-F93 HydrophobicContact CB-CE2 3.68Å; A91-F93 HydrophobicContact CB-CZ 4Å; F93-L104 HydrophobicContact CB-CB 4.44Å; F93-L104 PolarHBondContact N-O 2.84Å; F93-L104 PolarHBondContact O-N 3.13Å; F93-V106 HydrophobicContact CD2-CG2 3.91Å; F93-V106 HydrophobicContact CE2-CG2 3.83Å; F93-T155 HydrophobicContact CE2-CG2 4.28Å; F93-T155 HydrophobicContact CZ-CG2 3.86Å; F93-L159 HydrophobicContact CB-CD2 4.33Å; F93-L159 HydrophobicContact CD1-CD1 4.47Å; F93-L159 HydrophobicContact CD1-CD2 4.25Å; F93-L159 HydrophobicContact CD2-CD1 4.35Å; F93-L159 HydrophobicContact CE1-CD1 4.43Å; F93-L159 HydrophobicContact CE2-CD1 4.31Å; F93-L159 HydrophobicContact CG-CD1 4.43Å; F93-L159 HydrophobicContact CG-CD2 4.24Å; F93-L159 HydrophobicContact CZ-CD1 4.35Å
94	Q	89.3	Confident	80.8	Confident	42 Å²	42	54.6 Å²	54.6	20%	0.196	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.2	166.8	-179.5	176.9	-34.8	0	0	108.8	P54 L55 L57 D96 T101 F102	P54-Q94 CarbonylContact C-O 3.53Å; P54-Q94 VanDerWaalsContact CA-O 3.24Å; P54-Q94 WeakPolarHBondContact CA-O 3.28Å; L55-Q94 HydrophobicContact CB-CB 4.47Å; L55-Q94 PolarHBondContact N-O 3.3Å; L55-Q94 PolarHBondContact O-N 2.82Å; L57-Q94 HydrophobicContact CD1-CB 4.22Å; L57-Q94 HydrophobicContact CD2-CB 4.34Å; L57-Q94 HydrophobicContact CG-CB 4.18Å; Q94-D96 PolarHBondContact NE2-OD2 3.31Å; Q94-T101 HydrophobicContact CG-CG2 3.8Å; Q94-F102 CarbonylContact C-O 3.58Å; Q94-F102 WeakPolarHBondContact CA-O 3.38Å
95	V	88.3	Confident	82.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	111.7	177.3	-169.9	0	0	0	0	108.5	T52 P54 F102 L104 L159 I172 I189	T52-V95 HydrophobicContact CG2-CG1 3.93Å; P54-V95 HydrophobicContact CB-CG2 4.04Å; V95-F102 HydrophobicContact CB-CB 4.48Å; V95-F102 PolarHBondContact N-O 3.17Å; V95-F102 WeakPolarHBondContact O-CD2 3.28Å; V95-F102 PolarHBondContact O-N 3.32Å; V95-L104 HydrophobicContact CG2-CD1 3.78Å; V95-L104 HydrophobicContact CG2-CG 4.3Å; V95-L159 HydrophobicContact CG2-CD2 4.5Å; V95-I172 HydrophobicContact CG1-CD1 4.21Å; V95-I189 HydrophobicContact CG1-CD1 3.79Å
96	D	87.6	Confident	83.7	Confident	59 Å²	59	45.5 Å²	45.5	32%	0.316	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.9	178.4	-68.5	-58	0	0	0	110	T52 Q94 T101	T52-D96 VanDerWaalsContact CB-O 3.32Å; T52-D96 WeakPolarHBondContact CB-O 3.14Å; T52-D96 PolarHBondContact OG1-O 2.77Å; Q94-D96 PolarHBondContact NE2-OD2 3.31Å; D96-T101 WeakPolarHBondContact OD1-CA 3.35Å; D96-T101 WeakPolarHBondContact OD1-CB 3.35Å; D96-T101 WeakPolarHBondContact OD1-CG2 3.24Å; D96-T101 PolarHBondContact OD1-OG1 3.37Å
97	A	85.5	Confident	84.6	Confident	2 Å²	2	44.8 Å²	44.8	2%	0.017	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	147.7	-175.3	0	0	0	0	0	112.8	G99 K100 F102 I189	A97-G99 PolarHBondContact O-N 2.83Å; A97-K100 PolarHBondContact N-O 3.45Å; A97-K100 PolarHBondContact O-N 2.86Å; A97-F102 HydrophobicContact CB-CE2 4.43Å; A97-I189 HydrophobicContact CB-CD1 3.83Å; A97-I189 HydrophobicContact CB-CG2 3.66Å
98	F	84.6	Confident	85	Confident	54 Å²	54	44.2 Å²	44.2	24%	0.237	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	36.5	176.5	-54.2	-76.4	0	0	0	113.4	G48 E50 K100 Y170 I189 K191	G48-F98 WeakPolarHBondContact O-CZ 3.2Å; E50-F98 HydrophobicContact CB-CE1 4.09Å; E50-F98 HydrophobicContact CB-CE2 4.47Å; E50-F98 HydrophobicContact CB-CZ 3.97Å; E50-F98 VanDerWaalsContact OE2-CA 3.31Å; E50-F98 WeakPolarHBondContact OE2-CA 3.47Å; E50-F98 PolarHBondContact OE2-N 3.49Å; F98-K100 PolarHBondContact O-N 2.86Å; F98-Y170 AromaticContact CD2-CD1 3.99Å; F98-Y170 HydrophobicContact CD2-CD1 3.99Å; F98-Y170 AromaticContact CD2-CE1 3.62Å; F98-Y170 HydrophobicContact CD2-CE1 3.62Å; F98-Y170 HydrophobicContact CE2-CD1 4.06Å; F98-Y170 HydrophobicContact CE2-CE1 4.09Å; F98-Y170 HydrophobicContact CG-CE1 4.44Å; F98-I189 HydrophobicContact CE2-CG1 4.29Å; F98-I189 HydrophobicContact CE2-CG2 4.03Å; F98-K191 HydrophobicContact CD1-CB 4.33Å; F98-K191 HydrophobicContact CD1-CD 4.3Å; F98-K191 HydrophobicContact CD2-CB 4.08Å; F98-K191 HydrophobicContact CE1-CB 3.95Å; F98-K191 HydrophobicContact CE2-CB 3.67Å; F98-K191 HydrophobicContact CG-CB 4.4Å; F98-K191 HydrophobicContact CG-CD 4.3Å; F98-K191 HydrophobicContact CZ-CB 3.6Å
99	G	79.9	Confident	85.3	Confident	84 Å²	84	42.2 Å²	42.2	87%	0.866	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	12	-176.8	0	0	0	0	0	115.2	A97	A97-G99 PolarHBondContact O-N 2.83Å
100	K	85.7	Confident	85.3	Confident	100 Å²	100	39.6 Å²	39.6	44%	0.435	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149	176.2	-66.3	-176.3	-179.5	-178.4	0	111	A97 F98 F102 D165	A97-K100 PolarHBondContact N-O 3.45Å; A97-K100 PolarHBondContact O-N 2.86Å; F98-K100 PolarHBondContact O-N 2.86Å; K100-F102 HydrophobicContact CB-CD2 4.48Å; K100-F102 HydrophobicContact CB-CE1 4.4Å; K100-F102 HydrophobicContact CB-CE2 3.82Å; K100-F102 HydrophobicContact CB-CZ 3.78Å; K100-F102 HydrophobicContact CD-CE1 4.11Å; K100-F102 HydrophobicContact CD-CZ 3.76Å; K100-F102 HydrophobicContact CG-CZ 4.41Å; K100-D165 IonicContact NZ-OD2 3.53Å; K100-D165 PolarHBondContact NZ-OD2 3.12Å
101	T	88.4	Confident	85	Confident	85 Å²	85	35.1 Å²	35.1	52%	0.521	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.2	168.4	-59.1	0	0	0	0	108.7	Q94 D96 I103	Q94-T101 HydrophobicContact CG-CG2 3.8Å; D96-T101 WeakPolarHBondContact OD1-CA 3.35Å; D96-T101 WeakPolarHBondContact OD1-CB 3.35Å; D96-T101 WeakPolarHBondContact OD1-CG2 3.24Å; D96-T101 PolarHBondContact OD1-OG1 3.37Å; T101-I103 HydrophobicContact CG2-CG1 4.45Å
102	F	88.8	Confident	84.9	Confident	9 Å²	9	34.9 Å²	34.9	4%	0.039	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.7	174	-57.8	-82.4	0	0	0	109.4	Q94 V95 A97 K100 L104 V143 F163 D165 Y170	Q94-F102 CarbonylContact C-O 3.58Å; Q94-F102 WeakPolarHBondContact CA-O 3.38Å; V95-F102 HydrophobicContact CB-CB 4.48Å; V95-F102 PolarHBondContact N-O 3.17Å; V95-F102 WeakPolarHBondContact O-CD2 3.28Å; V95-F102 PolarHBondContact O-N 3.32Å; A97-F102 HydrophobicContact CB-CE2 4.43Å; K100-F102 HydrophobicContact CB-CD2 4.48Å; K100-F102 HydrophobicContact CB-CE1 4.4Å; K100-F102 HydrophobicContact CB-CE2 3.82Å; K100-F102 HydrophobicContact CB-CZ 3.78Å; K100-F102 HydrophobicContact CD-CE1 4.11Å; K100-F102 HydrophobicContact CD-CZ 3.76Å; K100-F102 HydrophobicContact CG-CZ 4.41Å; F102-L104 HydrophobicContact CB-CD2 4.27Å; F102-V143 HydrophobicContact CD1-CG1 4.32Å; F102-F163 HydrophobicContact CB-CE2 4.03Å; F102-F163 HydrophobicContact CB-CZ 4.18Å; F102-F163 AromaticContact CD1-CE2 3.74Å; F102-F163 HydrophobicContact CD1-CE2 3.74Å; F102-F163 HydrophobicContact CD1-CZ 4.45Å; F102-F163 HydrophobicContact CD2-CE2 4.08Å; F102-F163 AromaticContact CD2-CZ 3.99Å; F102-F163 HydrophobicContact CD2-CZ 3.99Å; F102-F163 HydrophobicContact CE1-CE2 4.19Å; F102-F163 AromaticContact CG-CE2 3.67Å; F102-F163 HydrophobicContact CG-CE2 3.67Å; F102-F163 AromaticContact CG-CZ 3.95Å; F102-F163 HydrophobicContact CG-CZ 3.95Å; F102-D165 HydrophobicContact CE1-CB 4Å; F102-Y170 HydrophobicContact CE1-CD2 4.38Å; F102-Y170 AromaticContact CE1-CE2 3.83Å; F102-Y170 HydrophobicContact CE1-CE2 3.83Å; F102-Y170 HydrophobicContact CE2-CE1 4.25Å; F102-Y170 HydrophobicContact CE2-CE2 4.46Å; F102-Y170 HydrophobicContact CZ-CD2 4.24Å; F102-Y170 AromaticContact CZ-CE1 3.97Å; F102-Y170 HydrophobicContact CZ-CE1 3.97Å; F102-Y170 AromaticContact CZ-CE2 3.61Å; F102-Y170 HydrophobicContact CZ-CE2 3.61Å; F102-Y170 AromaticContact CZ-CZ 3.45Å; F102-Y170 VanDerWaalsContact CZ-CZ 3.45Å
103	I	89.7	Confident	84.7	Confident	39 Å²	39	33.8 Å²	33.8	20%	0.2	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.1	171.7	-58.6	176.1	0	0	0	107	L57 T92 T101 V143 R144	L57-I103 HydrophobicContact CD1-CG2 4.35Å; T92-I103 HydrophobicContact CG2-CG2 3.44Å; T92-I103 VanDerWaalsContact CG2-CG2 3.44Å; T101-I103 HydrophobicContact CG2-CG1 4.45Å; I103-V143 WeakPolarHBondContact O-CA 3.3Å; I103-R144 HydrophobicContact CB-CB 4.01Å; I103-R144 HydrophobicContact CG2-CB 4.2Å; I103-R144 PolarHBondContact O-N 3.4Å
104	L	89.3	Confident	84.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	107.8	-178	-50	-177.9	0	0	0	108.1	T92 F93 V95 F102 V106 V143 L153 F163	T92-L104 CarbonylContact C-O 3.02Å; T92-L104 VanDerWaalsContact CA-O 3.3Å; T92-L104 WeakPolarHBondContact CA-O 3.39Å; F93-L104 HydrophobicContact CB-CB 4.44Å; F93-L104 PolarHBondContact N-O 2.84Å; F93-L104 PolarHBondContact O-N 3.13Å; V95-L104 HydrophobicContact CG2-CD1 3.78Å; V95-L104 HydrophobicContact CG2-CG 4.3Å; F102-L104 HydrophobicContact CB-CD2 4.27Å; L104-V106 HydrophobicContact CB-CG1 4.29Å; L104-V143 HydrophobicContact CD2-CB 4.46Å; L104-V143 HydrophobicContact CD2-CG1 4.46Å; L104-V143 HydrophobicContact CD2-CG2 3.75Å; L104-L153 HydrophobicContact CD1-CD1 3.83Å; L104-F163 HydrophobicContact CD1-CD1 3.79Å; L104-F163 HydrophobicContact CD1-CE1 4.03Å; L104-F163 HydrophobicContact CD1-CG 4.22Å; L104-F163 HydrophobicContact CD2-CB 4.19Å; L104-F163 HydrophobicContact CD2-CD1 4.18Å; L104-F163 HydrophobicContact CD2-CD2 3.8Å; L104-F163 HydrophobicContact CD2-CE1 4.5Å; L104-F163 HydrophobicContact CD2-CE2 4.14Å; L104-F163 HydrophobicContact CD2-CG 3.81Å; L104-F163 HydrophobicContact CD2-CZ 4.47Å
105	D	87.5	Confident	83	Confident	49 Å²	49	35.5 Å²	35.5	26%	0.262	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	112.3	172.5	-73.9	-44.3	0	0	0	108.2	T92 G141 R142 R144	T92-D105 WeakPolarHBondContact CB-OD1 3.13Å; T92-D105 WeakPolarHBondContact CG2-OD1 3.32Å; T92-D105 PolarHBondContact OG1-OD1 2.89Å; D105-G141 CarbonylContact O-C 3.28Å; D105-G141 VanDerWaalsContact O-CA 3.31Å; D105-G141 WeakPolarHBondContact O-CA 3.3Å; D105-R142 PolarHBondContact N-O 3.09Å; D105-R142 PolarHBondContact O-N 3.22Å; D105-R144 IonicContact OD1-CZ 3.68Å; D105-R144 IonicContact OD1-NE 3.86Å; D105-R144 IonicContact OD1-NH2 2.7Å; D105-R144 PolarHBondContact OD1-NH2 3.2Å; D105-R144 IonicContact OD2-CZ 3.27Å; D105-R144 VanDerWaalsContact OD2-CZ 3.27Å; D105-R144 IonicContact OD2-NE 2.86Å; D105-R144 PolarHBondContact OD2-NE 3.49Å; D105-R144 IonicContact OD2-NH2 2.96Å; D105-R144 PolarHBondContact OD2-NH2 2.91Å
106	V	86.9	Confident	81.9	Confident	7 Å²	7	37.2 Å²	37.2	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.5	-172.4	-55.2	0	0	0	0	112.9	A91 F93 L104 Y139 Q140 A151 L153	A91-V106 HydrophobicContact CB-CG2 4.33Å; A91-V106 PolarHBondContact N-O 3.42Å; A91-V106 VanDerWaalsContact O-CG2 3.29Å; A91-V106 WeakPolarHBondContact O-CG2 3.37Å; A91-V106 PolarHBondContact O-N 2.84Å; F93-V106 HydrophobicContact CD2-CG2 3.91Å; F93-V106 HydrophobicContact CE2-CG2 3.83Å; L104-V106 HydrophobicContact CB-CG1 4.29Å; V106-Y139 HydrophobicContact CB-CD1 4.49Å; V106-Y139 HydrophobicContact CG2-CD1 3.89Å; V106-Y139 HydrophobicContact CG2-CG 4.04Å; V106-Q140 WeakPolarHBondContact CA-O 3.35Å; V106-A151 HydrophobicContact CG1-CB 4.16Å; V106-L153 HydrophobicContact CG1-CD1 3.95Å
107	E	85.1	Confident	81.6	Confident	92 Å²	92	34.5 Å²	34.5	43%	0.43	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.4	-177.6	-175.3	159	-113.7	0	0	109.1	I89 Q90 Y139 Q140	I89-E107 HydrophobicContact CG2-CG 4.47Å; I89-E107 CarbonylContact O-C 3.58Å; I89-E107 WeakPolarHBondContact O-CA 3.46Å; Q90-E107 HydrophobicContact CG-CB 4.43Å; Q90-E107 HydrophobicContact CG-CG 4.18Å; Q90-E107 PolarHBondContact NE2-OE1 3.49Å; E107-Y139 VanDerWaalsContact C-CD1 3.46Å; E107-Y139 CarbonylContact O-C 3.58Å; E107-Y139 WeakPolarHBondContact O-CA 3.29Å; E107-Y139 WeakPolarHBondContact O-CB 3.37Å; E107-Q140 PolarHBondContact N-O 2.65Å; E107-Q140 PolarHBondContact O-N 2.84Å; E107-Q140 VanDerWaalsContact O-O 3.08Å
108	L	81.3	Confident	81.5	Confident	15 Å²	15	37.6 Å²	37.6	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	134.1	-177.8	-168.2	70.2	0	0	0	109.2	H87 I89 H110 Y138 Y139	H87-L108 HydrophobicContact CB-CD1 4.2Å; H87-L108 HydrophobicContact CB-CD2 4.46Å; I89-L108 WeakPolarHBondContact O-CB 3.22Å; I89-L108 PolarHBondContact O-N 3.27Å; L108-H110 VanDerWaalsContact C-N 3.31Å; L108-H110 PolarHBondContact O-CD2 2.89Å; L108-H110 PolarHBondContact O-N 3.45Å; L108-Y138 WeakPolarHBondContact CD1-O 3.12Å; L108-Y139 HydrophobicContact CB-CD1 4.26Å; L108-Y139 HydrophobicContact CB-CE1 4.02Å; L108-Y139 HydrophobicContact CD1-CD1 4.39Å; L108-Y139 HydrophobicContact CD1-CD2 4.26Å; L108-Y139 HydrophobicContact CD1-CE1 3.93Å; L108-Y139 HydrophobicContact CD1-CE2 3.77Å
109	N	81.1	Confident	81.6	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.032	22%	0.217	C	C	.	.			trans	-84.8	74.6	-174.8	-172.4	2.3	0	0	0	111.3	D111 L112 H136 Y138 Q140 N274 D277	N109-D111 PolarHBondContact O-N 2.81Å; N109-D111 VanDerWaalsContact O-N 3.08Å; N109-D111 PolarHBondContact OD1-N 3.45Å; N109-L112 HydrophobicContact CB-CB 4.25Å; N109-L112 VanDerWaalsContact O-CB 3.3Å; N109-L112 WeakPolarHBondContact O-CB 3.29Å; N109-L112 PolarHBondContact O-N 2.85Å; N109-L112 PolarHBondContact OD1-N 3.39Å; N109-H136 PolarHBondContact O-CE1 3.49Å; N109-H136 PolarHBondContact O-NE2 3.15Å; N109-Y138 PolarHBondContact N-O 3.4Å; N109-Q140 HydrophobicContact CB-CG 4.19Å; N109-Q140 VanDerWaalsContact ND2-CD 3.31Å; N109-Q140 PolarHBondContact ND2-NE2 2.85Å; N109-N274 PolarHBondContact ND2-OD1 2.74Å; N109-D277 PolarHBondContact ND2-OD2 2.66Å; N109-D277 VanDerWaalsContact ND2-OD2 3.14Å
110	H	74.4	Confident	81.9	Confident	28 Å²	28	33.5 Å²	33.5	13%	0.13	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.9	179.2	-63.9	-92.2	0	0	0	113.9	L108 K443 D446	L108-H110 VanDerWaalsContact C-N 3.31Å; L108-H110 PolarHBondContact O-CD2 2.89Å; L108-H110 PolarHBondContact O-N 3.45Å; H110-K443 HydrophobicContact CB-CD 4.14Å; H110-D446 IonicContact CE1-OD1 3.22Å; H110-D446 IonicContact CG-OD1 2.78Å; H110-D446 IonicContact ND1-OD1 2.69Å; H110-D446 PolarHBondContact ND1-OD1 3.27Å; H110-D446 IonicContact ND1-OD2 3.9Å
111	D	73.3	Confident	81.9	Confident	35 Å²	35	30.7 Å²	30.7	19%	0.187	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.6	179.1	-67.8	-73	0	0	0	113.9	N109 L113 K443	N109-D111 PolarHBondContact O-N 2.81Å; N109-D111 VanDerWaalsContact O-N 3.08Å; N109-D111 PolarHBondContact OD1-N 3.45Å; D111-L113 VanDerWaalsContact C-N 3.34Å; D111-L113 PolarHBondContact O-N 3.43Å; D111-K443 WeakPolarHBondContact OD1-CE 3.33Å; D111-K443 IonicContact OD1-NZ 2.73Å; D111-K443 PolarHBondContact OD1-NZ 2.9Å; D111-K443 IonicContact OD2-NZ 3.92Å; D111-K443 PolarHBondContact OD2-NZ 3.35Å
112	L	81.8	Confident	81.6	Confident	1 Å²	1	29 Å²	29	1%	0.005	16%	0.158	C	C	.	.	S	Bend	trans	-65	-32	-176	-173.9	64.6	0	0	0	113.9	N109 Y138 V273 N274 L290	N109-L112 HydrophobicContact CB-CB 4.25Å; N109-L112 VanDerWaalsContact O-CB 3.3Å; N109-L112 WeakPolarHBondContact O-CB 3.29Å; N109-L112 PolarHBondContact O-N 2.85Å; N109-L112 PolarHBondContact OD1-N 3.39Å; L112-Y138 HydrophobicContact CD2-CD1 4.32Å; L112-Y138 HydrophobicContact CD2-CD2 3.9Å; L112-Y138 HydrophobicContact CD2-CG 3.63Å; L112-V273 HydrophobicContact CD1-CB 4.36Å; L112-V273 HydrophobicContact CD1-CG1 3.79Å; L112-N274 HydrophobicContact CD1-CB 4.24Å; L112-N274 HydrophobicContact CD2-CB 3.89Å; L112-L290 WeakPolarHBondContact O-CB 3.5Å; L112-L290 PolarHBondContact O-N 2.92Å
113	L	81.9	Confident	80.8	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125	-174	-58.8	-176.9	0	0	0	111	D111 Y117 H136 L290 L444	D111-L113 VanDerWaalsContact C-N 3.34Å; D111-L113 PolarHBondContact O-N 3.43Å; L113-Y117 HydrophobicContact CD1-CD1 4.29Å; L113-Y117 HydrophobicContact CD1-CE1 4.44Å; L113-Y117 HydrophobicContact CD2-CD1 4.13Å; L113-Y117 HydrophobicContact CD2-CD2 4.38Å; L113-Y117 HydrophobicContact CD2-CE1 4.08Å; L113-Y117 HydrophobicContact CD2-CE2 4.37Å; L113-Y117 HydrophobicContact CD2-CG 4.27Å; L113-H136 HydrophobicContact CD1-CB 4.06Å; L113-H136 VanDerWaalsContact CD1-ND1 3.33Å; L113-H136 WeakPolarHBondContact CD1-ND1 3.38Å; L113-L290 HydrophobicContact CD2-CB 4.07Å; L113-L290 HydrophobicContact CD2-CD2 3.94Å; L113-L444 HydrophobicContact CB-CB 3.96Å; L113-L444 HydrophobicContact CB-CD2 3.79Å; L113-L444 HydrophobicContact CD1-CD2 3.79Å; L113-L444 HydrophobicContact CG-CD2 4.45Å; L113-L444 VanDerWaalsContact O-CB 3.29Å; L113-L444 WeakPolarHBondContact O-CB 3.47Å; L113-L444 PolarHBondContact O-N 3.04Å
114	S	75.4	Confident	79.8	Confident	12 Å²	12	37.6 Å²	37.6	8%	0.084	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148.6	174.7	175.2	0	0	0	0	112.5	G116 Y117 L290 R442	S114-G116 PolarHBondContact O-N 2.79Å; S114-G116 VanDerWaalsContact O-N 3.07Å; S114-G116 PolarHBondContact OG-N 3.34Å; S114-Y117 WeakPolarHBondContact O-CA 3.44Å; S114-Y117 WeakPolarHBondContact O-CB 3.44Å; S114-Y117 PolarHBondContact O-N 3.28Å; S114-L290 PolarHBondContact N-O 3.01Å; S114-L290 VanDerWaalsContact N-O 3.14Å; S114-R442 CarbonylContact C-O 3.58Å; S114-R442 WeakPolarHBondContact CA-O 3.48Å; S114-R442 PolarHBondContact OG-O 2.93Å
115	S	65.9	Low	78.7	Confident	66 Å²	66	44.1 Å²	44.1	46%	0.462	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.6	-29.7	166	55	0	0	0	0	114.4	Y117 R442 K443	S115-Y117 VanDerWaalsContact C-N 3.3Å; S115-R442 PolarHBondContact N-O 2.84Å; S115-R442 WeakPolarHBondContact OG-CB 3.48Å; S115-R442 PolarHBondContact OG-O 2.85Å; S115-R442 VanDerWaalsContact OG-O 3.13Å; S115-K443 WeakPolarHBondContact CA-O 3.48Å; S115-K443 VanDerWaalsContact CB-O 3.24Å; S115-K443 WeakPolarHBondContact CB-O 3.06Å; S115-K443 PolarHBondContact N-O 2.76Å
116	G	66.9	Low	77.9	Confident	36 Å²	36	44.3 Å²	44.3	37%	0.371	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-3.5	175.9	0	0	0	0	0	114.5	S114 Q118	S114-G116 PolarHBondContact O-N 2.79Å; S114-G116 VanDerWaalsContact O-N 3.07Å; S114-G116 PolarHBondContact OG-N 3.34Å; G116-Q118 WeakPolarHBondContact O-CG 3.03Å; G116-Q118 PolarHBondContact O-N 2.85Å; G116-Q118 PolarHBondContact O-NE2 3.45Å
117	Y	80.6	Confident	77.4	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	125.4	-165.2	179.5	-109.7	0	0	0	113.2	L113 S114 S115 E119 G133 K270 L290 V291 M293 L444	L113-Y117 HydrophobicContact CD1-CD1 4.29Å; L113-Y117 HydrophobicContact CD1-CE1 4.44Å; L113-Y117 HydrophobicContact CD2-CD1 4.13Å; L113-Y117 HydrophobicContact CD2-CD2 4.38Å; L113-Y117 HydrophobicContact CD2-CE1 4.08Å; L113-Y117 HydrophobicContact CD2-CE2 4.37Å; L113-Y117 HydrophobicContact CD2-CG 4.27Å; S114-Y117 WeakPolarHBondContact O-CA 3.44Å; S114-Y117 WeakPolarHBondContact O-CB 3.44Å; S114-Y117 PolarHBondContact O-N 3.28Å; S115-Y117 VanDerWaalsContact C-N 3.3Å; Y117-E119 HydrophobicContact CE1-CG 3.61Å; Y117-E119 WeakPolarHBondContact CE1-OE1 3.05Å; Y117-E119 VanDerWaalsContact OH-CG 3.26Å; Y117-E119 WeakPolarHBondContact OH-CG 2.92Å; Y117-E119 PolarHBondContact OH-OE1 2.86Å; Y117-G133 PolarHBondContact O-N 3.38Å; Y117-K270 WeakPolarHBondContact OH-CE 3.38Å; Y117-L290 HydrophobicContact CD2-CD2 4.19Å; Y117-L290 HydrophobicContact CD2-CG 4.1Å; Y117-L290 WeakPolarHBondContact CD2-O 3.29Å; Y117-L290 HydrophobicContact CE2-CB 4.42Å; Y117-L290 HydrophobicContact CE2-CD2 3.33Å; Y117-L290 HydrophobicContact CE2-CG 3.61Å; Y117-V291 WeakPolarHBondContact CA-O 3.28Å; Y117-M293 HydrophobicContact CE2-CB 4.12Å; Y117-L444 HydrophobicContact CD1-CD2 4.3Å
118	Q	83.7	Confident	77.1	Confident	67 Å²	67	52.7 Å²	52.7	31%	0.313	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.8	-175.3	-79.7	162.4	92.9	0	0	110.3	G116 V130 K132 M293	G116-Q118 WeakPolarHBondContact O-CG 3.03Å; G116-Q118 PolarHBondContact O-N 2.85Å; G116-Q118 PolarHBondContact O-NE2 3.45Å; Q118-V130 HydrophobicContact CB-CG1 3.99Å; Q118-V130 HydrophobicContact CG-CG1 3.89Å; Q118-K132 HydrophobicContact CG-CG 4.08Å; Q118-M293 PolarHBondContact O-N 3.02Å
119	E	86.4	Confident	77.1	Confident	17 Å²	17	54.4 Å²	54.4	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.7	171.8	-66.1	-178.9	-162.7	0	0	109.4	Y117 V130 T131 G134 N266 K270 M293	Y117-E119 HydrophobicContact CE1-CG 3.61Å; Y117-E119 WeakPolarHBondContact CE1-OE1 3.05Å; Y117-E119 VanDerWaalsContact OH-CG 3.26Å; Y117-E119 WeakPolarHBondContact OH-CG 2.92Å; Y117-E119 PolarHBondContact OH-OE1 2.86Å; E119-V130 CarbonylContact O-C 3.32Å; E119-V130 WeakPolarHBondContact O-CA 3.46Å; E119-T131 PolarHBondContact N-O 3.11Å; E119-T131 PolarHBondContact O-N 3.19Å; E119-G134 WeakPolarHBondContact OE1-CA 3.15Å; E119-N266 PolarHBondContact OE2-ND2 3.34Å; E119-K270 WeakPolarHBondContact OE1-CE 3.16Å; E119-K270 IonicContact OE1-NZ 2.78Å; E119-K270 PolarHBondContact OE1-NZ 3.38Å; E119-M293 CarbonylContact C-O 3.52Å; E119-M293 WeakPolarHBondContact CA-O 2.99Å
120	R	86.6	Confident	77	Confident	36 Å²	36	57.3 Å²	57.3	14%	0.136	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.3	-178.2	-52.8	-167.7	-58.1	-158	-1.4	111.1	V129 V130 M247 M293 E294 T295 E325	R120-V129 WeakPolarHBondContact CA-O 3.06Å; R120-V130 HydrophobicContact CG-CG2 4.35Å; R120-M247 VanDerWaalsContact NH2-CE 3.32Å; R120-M293 PolarHBondContact N-O 2.9Å; R120-E294 HydrophobicContact CB-CB 4.27Å; R120-E294 HydrophobicContact CB-CG 4.15Å; R120-E294 IonicContact CZ-OE2 3.23Å; R120-E294 VanDerWaalsContact CZ-OE2 3.28Å; R120-E294 IonicContact NE-OE2 3.69Å; R120-E294 PolarHBondContact NE-OE2 2.72Å; R120-E294 IonicContact NH2-OE2 3.71Å; R120-E294 PolarHBondContact NH2-OE2 2.75Å; R120-E294 CarbonylContact O-C 3.52Å; R120-E294 VanDerWaalsContact O-CA 3.31Å; R120-E294 WeakPolarHBondContact O-CA 3.33Å; R120-T295 PolarHBondContact O-N 2.85Å; R120-E325 IonicContact CZ-OE1 2.71Å; R120-E325 IonicContact CZ-OE2 2.67Å; R120-E325 IonicContact NH1-OE1 3.32Å; R120-E325 PolarHBondContact NH1-OE1 2.79Å; R120-E325 IonicContact NH1-OE2 3.52Å; R120-E325 PolarHBondContact NH1-OE2 3.28Å; R120-E325 IonicContact NH2-OE2 3.66Å
121	H	84.5	Confident	77.2	Confident	41 Å²	41	58.7 Å²	58.7	19%	0.19	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.6	168	64.4	-81.7	0	0	0	110.3	V129 V262	H121-V129 VanDerWaalsContact CE1-CG1 3.46Å; H121-V129 WeakPolarHBondContact CE1-CG1 3.14Å; H121-V129 PolarHBondContact N-O 2.92Å; H121-V129 VanDerWaalsContact N-O 3.1Å; H121-V129 PolarHBondContact O-N 2.83Å; H121-V262 HydrophobicContact CB-CG1 4.18Å; H121-V262 HydrophobicContact CB-CG2 4.26Å
122	L	82.1	Confident	76.9	Confident	48 Å²	48	65 Å²	65	25%	0.251	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.6	171	-142.1	73.5	0	0	0	109.1	I128 S297 V298	L122-I128 HydrophobicContact CD1-CG1 3.7Å; L122-S297 PolarHBondContact N-OG 2.76Å; L122-S297 PolarHBondContact O-OG 3.42Å; L122-V298 HydrophobicContact CB-CG2 4.1Å; L122-V298 HydrophobicContact CD2-CB 4.49Å; L122-V298 HydrophobicContact CD2-CG2 4.08Å
123	S	72.5	Confident	76	Confident	33 Å²	33	66.2 Å²	66.2	23%	0.231	37%	0.365	C	S	.	.			trans	-67.5	155.2	167.2	174.3	0	0	0	0	110.1	N125 G126 K127	S123-N125 PolarHBondContact O-N 3.35Å; S123-N125 PolarHBondContact OG-N 2.81Å; S123-G126 PolarHBondContact O-N 2.72Å; S123-K127 WeakPolarHBondContact CB-O 2.97Å; S123-K127 PolarHBondContact N-O 3.32Å
124	E	68.1	Low	75.2	Confident	196 Å²	196	67.1 Å²	67.1	92%	0.916	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-28.5	169.6	-59.9	179	162.8	0	0	113	G126	E124-G126 PolarHBondContact O-N 2.75Å
125	N	66.7	Low	75.2	Confident	138 Å²	138	69 Å²	69	74%	0.738	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	11.8	176.4	-65	-55.6	0	0	0	114.5	S123 K127	S123-N125 PolarHBondContact O-N 3.35Å; S123-N125 PolarHBondContact OG-N 2.81Å; N125-K127 PolarHBondContact O-N 2.82Å
126	G	70.6	Confident	75.7	Confident	52 Å²	52	66.3 Å²	66.3	54%	0.536	36%	0.363	S	S	.	.	S	Bend	trans	70.6	6.2	179.4	0	0	0	0	0	115.6	S123 E124	S123-G126 PolarHBondContact O-N 2.72Å; E124-G126 PolarHBondContact O-N 2.75Å
127	K	76.6	Confident	76.6	Confident	156 Å²	156	64.6 Å²	64.6	68%	0.678	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-89.3	138.2	175.6	-68.7	-174.5	179	179.7	0	110.7	S123 N125 V129	S123-K127 WeakPolarHBondContact CB-O 2.97Å; S123-K127 PolarHBondContact N-O 3.32Å; N125-K127 PolarHBondContact O-N 2.82Å; K127-V129 PolarHBondContact O-N 3.49Å
128	I	78.6	Confident	76.9	Confident	119 Å²	119	64.5 Å²	64.5	61%	0.61	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.5	168.1	-57.1	170.7	0	0	0	107.9	L122 V130	L122-I128 HydrophobicContact CD1-CG1 3.7Å; I128-V130 HydrophobicContact CG2-CG2 4.01Å
129	V	81	Confident	77.1	Confident	52 Å²	52	61.3 Å²	61.3	32%	0.315	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.3	169.8	178.3	0	0	0	0	107.2	R120 H121 K127	R120-V129 WeakPolarHBondContact CA-O 3.06Å; H121-V129 VanDerWaalsContact CE1-CG1 3.46Å; H121-V129 WeakPolarHBondContact CE1-CG1 3.14Å; H121-V129 PolarHBondContact N-O 2.92Å; H121-V129 VanDerWaalsContact N-O 3.1Å; H121-V129 PolarHBondContact O-N 2.83Å; K127-V129 PolarHBondContact O-N 3.49Å
130	V	80.2	Confident	77.2	Confident	67 Å²	67	61 Å²	61	41%	0.406	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.6	175.7	-174.7	0	0	0	0	107.8	Q118 E119 R120 I128	Q118-V130 HydrophobicContact CB-CG1 3.99Å; Q118-V130 HydrophobicContact CG-CG1 3.89Å; E119-V130 CarbonylContact O-C 3.32Å; E119-V130 WeakPolarHBondContact O-CA 3.46Å; R120-V130 HydrophobicContact CG-CG2 4.35Å; I128-V130 HydrophobicContact CG2-CG2 4.01Å
131	T	77.4	Confident	77.2	Confident	57 Å²	57	60 Å²	60	35%	0.35	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.4	173.7	-50.2	0	0	0	0	108.1	E119	E119-T131 PolarHBondContact N-O 3.11Å; E119-T131 PolarHBondContact O-N 3.19Å
132	K	66.9	Low	77.4	Confident	168 Å²	168	64.4 Å²	64.4	73%	0.73	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.8	173.7	-72.7	-170.5	173.7	-166.6	0	109.1	Q118	Q118-K132 HydrophobicContact CG-CG 4.08Å
133	G	62.9	Low	77.7	Confident	25 Å²	25	62.6 Å²	62.6	26%	0.258	34%	0.336	S	S	.	.	S	Bend	trans	70.2	124.6	-169.1	0	0	0	0	0	112	Y117	Y117-G133 PolarHBondContact O-N 3.38Å
134	G	66.7	Low	78.3	Confident	21 Å²	21	65 Å²	65	22%	0.216	34%	0.34	C	S	.	.			trans	-104.9	-178	168.9	0	0	0	0	0	110.8	E119 H136	E119-G134 WeakPolarHBondContact OE1-CA 3.15Å; G134-H136 PolarHBondContact O-N 2.86Å
135	E	73.7	Confident	79	Confident	53 Å²	53	63.3 Å²	63.3	25%	0.248	34%	0.337	C	S	.	.			trans	-58.5	137.6	166.4	-170.1	175	-154.4	0	0	109.7	R75 H87 C156 N267 K270	R75-E135 IonicContact CZ-OE1 3.28Å; R75-E135 VanDerWaalsContact CZ-OE1 3.23Å; R75-E135 IonicContact NE-OE1 2.74Å; R75-E135 PolarHBondContact NE-OE1 3.19Å; R75-E135 IonicContact NH2-OE1 3.9Å; R75-E135 PolarHBondContact NH2-OE1 2.97Å; R75-E135 IonicContact NH2-OE2 3.07Å; H87-E135 IonicContact CE1-OE1 3.52Å; H87-E135 IonicContact NE2-OE1 2.75Å; E135-C156 PolarHBondContact OE2-SG 3.26Å; E135-C156 VanDerWaalsContact OE2-SG 3.33Å; E135-N267 PolarHBondContact OE2-ND2 3.25Å; E135-K270 PolarHBondContact O-NZ 3.07Å
136	H	77.5	Confident	79.7	Confident	9 Å²	9	57.9 Å²	57.9	4%	0.042	31%	0.311	C	S	.	.			trans	-131.9	96.8	-179	-175.6	76.2	0	0	0	109.2	H87 N109 L113 G134 Y138 L445	H87-H136 PolarHBondContact CD2-O 3.07Å; N109-H136 PolarHBondContact O-CE1 3.49Å; N109-H136 PolarHBondContact O-NE2 3.15Å; L113-H136 HydrophobicContact CD1-CB 4.06Å; L113-H136 VanDerWaalsContact CD1-ND1 3.33Å; L113-H136 WeakPolarHBondContact CD1-ND1 3.38Å; G134-H136 PolarHBondContact O-N 2.86Å; H136-Y138 AromaticContact ND1-CD2 3.76Å; H136-L445 HydrophobicContact CB-CD1 3.36Å; H136-L445 WeakPolarHBondContact CD2-CD1 3.34Å
137	C	84.9	Confident	79.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.321	C	S	.	.			trans	-126	22.7	-170.8	66.4	0	0	0	0	111	Y139 S154 T155 C156	C137-Y139 WeakPolarHBondContact O-CD2 3.48Å; C137-Y139 WeakPolarHBondContact O-CE2 3.45Å; C137-S154 WeakPolarHBondContact O-CA 3.01Å; C137-S154 PolarHBondContact SG-OG 2.03Å; C137-T155 PolarHBondContact O-N 2.71Å; C137-T155 PolarHBondContact O-OG1 2.8Å; C137-C156 HydrophobicContact CB-CB 3.97Å; C137-C156 WeakPolarHBondContact CB-SG 3.35Å; C137-C156 VanDerWaalsContact SG-CA 3.55Å; C137-C156 WeakPolarHBondContact SG-CB 2.98Å; C137-C156 PolarHBondContact SG-N 2.04Å; C137-C156 CovalentContact SG-SG 2.01Å; C137-C156 PolarHBondContact SG-SG 3.3Å
138	Y	87.6	Confident	79.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.6	-165.9	-57.1	-78.7	0	0	0	108.8	L108 N109 L112 H136 N267 K270 T271 N274	L108-Y138 WeakPolarHBondContact CD1-O 3.12Å; N109-Y138 PolarHBondContact N-O 3.4Å; L112-Y138 HydrophobicContact CD2-CD1 4.32Å; L112-Y138 HydrophobicContact CD2-CD2 3.9Å; L112-Y138 HydrophobicContact CD2-CG 3.63Å; H136-Y138 AromaticContact ND1-CD2 3.76Å; Y138-N267 WeakPolarHBondContact OH-CA 3.34Å; Y138-N267 WeakPolarHBondContact OH-CB 3.17Å; Y138-N267 PolarHBondContact OH-O 3.4Å; Y138-K270 HydrophobicContact CD1-CB 4.38Å; Y138-K270 HydrophobicContact CD2-CB 4.45Å; Y138-K270 HydrophobicContact CE1-CB 3.66Å; Y138-K270 HydrophobicContact CE2-CB 3.77Å; Y138-K270 HydrophobicContact CE2-CD 3.53Å; Y138-K270 HydrophobicContact CE2-CG 4.29Å; Y138-K270 WeakPolarHBondContact OH-CB 3.29Å; Y138-K270 WeakPolarHBondContact OH-CD 3.32Å; Y138-T271 WeakPolarHBondContact CE1-OG1 3.48Å; Y138-N274 HydrophobicContact CD1-CB 4.3Å
139	Y	87.5	Confident	80.2	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.2	-173.3	-65.6	-103.2	0	0	0	110.5	T74 V88 A91 V106 E107 L108 C137 A152 L153 T155 N274	T74-Y139 WeakPolarHBondContact CB-OH 3.27Å; T74-Y139 HydrophobicContact CG2-CE2 4.26Å; T74-Y139 WeakPolarHBondContact CG2-OH 3.15Å; T74-Y139 PolarHBondContact OG1-OH 2.98Å; V88-Y139 WeakPolarHBondContact O-CE1 3.39Å; V88-Y139 PolarHBondContact O-OH 2.82Å; A91-Y139 HydrophobicContact CB-CE1 4.28Å; V106-Y139 HydrophobicContact CB-CD1 4.49Å; V106-Y139 HydrophobicContact CG2-CD1 3.89Å; V106-Y139 HydrophobicContact CG2-CG 4.04Å; E107-Y139 VanDerWaalsContact C-CD1 3.46Å; E107-Y139 CarbonylContact O-C 3.58Å; E107-Y139 WeakPolarHBondContact O-CA 3.29Å; E107-Y139 WeakPolarHBondContact O-CB 3.37Å; L108-Y139 HydrophobicContact CB-CD1 4.26Å; L108-Y139 HydrophobicContact CB-CE1 4.02Å; L108-Y139 HydrophobicContact CD1-CD1 4.39Å; L108-Y139 HydrophobicContact CD1-CD2 4.26Å; L108-Y139 HydrophobicContact CD1-CE1 3.93Å; L108-Y139 HydrophobicContact CD1-CE2 3.77Å; C137-Y139 WeakPolarHBondContact O-CD2 3.48Å; C137-Y139 WeakPolarHBondContact O-CE2 3.45Å; Y139-A152 WeakPolarHBondContact O-CA 3.39Å; Y139-L153 PolarHBondContact N-O 2.03Å; Y139-L153 PolarHBondContact O-N 2.68Å; Y139-T155 HydrophobicContact CD2-CG2 4Å; Y139-T155 HydrophobicContact CE2-CG2 3.9Å; Y139-T155 WeakPolarHBondContact CE2-OG1 3.5Å; Y139-N274 PolarHBondContact O-ND2 2.04Å
140	Q	88.6	Confident	80.5	Confident	9 Å²	9	57 Å²	57	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153	168.9	-74.7	-170.2	-2.3	0	0	109.5	V106 E107 N109 A151 N274 D277 M278	V106-Q140 WeakPolarHBondContact CA-O 3.35Å; E107-Q140 PolarHBondContact N-O 2.65Å; E107-Q140 PolarHBondContact O-N 2.84Å; E107-Q140 VanDerWaalsContact O-O 3.08Å; N109-Q140 HydrophobicContact CB-CG 4.19Å; N109-Q140 VanDerWaalsContact ND2-CD 3.31Å; N109-Q140 PolarHBondContact ND2-NE2 2.85Å; Q140-A151 CarbonylContact C-O 3.54Å; Q140-A151 VanDerWaalsContact CA-O 3.26Å; Q140-A151 WeakPolarHBondContact CA-O 3.31Å; Q140-N274 PolarHBondContact NE2-O 3.15Å; Q140-N274 PolarHBondContact NE2-OD1 3.02Å; Q140-D277 PolarHBondContact NE2-OD2 2.98Å; Q140-M278 HydrophobicContact CB-CE 3.64Å; Q140-M278 HydrophobicContact CG-CE 3.76Å
141	G	87.4	Confident	81	Confident	17 Å²	17	53.8 Å²	53.8	18%	0.175	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-154.5	-178.4	0	0	0	0	0	113.9	D105 F150 A151	D105-G141 CarbonylContact O-C 3.28Å; D105-G141 VanDerWaalsContact O-CA 3.31Å; D105-G141 WeakPolarHBondContact O-CA 3.3Å; G141-F150 CarbonylContact O-C 3.56Å; G141-F150 VanDerWaalsContact O-CA 3.32Å; G141-F150 WeakPolarHBondContact O-CA 3.42Å; G141-A151 PolarHBondContact N-O 2.03Å; G141-A151 PolarHBondContact O-N 2.78Å
142	R	88.4	Confident	81.6	Confident	132 Å²	132	51 Å²	51	50%	0.498	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.7	-175.1	-64.1	-165.5	169.7	146.1	1.3	112	D105 S149 E282	D105-R142 PolarHBondContact N-O 3.09Å; D105-R142 PolarHBondContact O-N 3.22Å; R142-S149 WeakPolarHBondContact CG-O 3.45Å; R142-E282 IonicContact NH2-OE1 2.7Å
143	V	88.2	Confident	82.7	Confident	11 Å²	11	43 Å²	43	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129	168.1	-171.4	0	0	0	0	107.9	F102 I103 L104 A146 S149 F163	F102-V143 HydrophobicContact CD1-CG1 4.32Å; I103-V143 WeakPolarHBondContact O-CA 3.3Å; L104-V143 HydrophobicContact CD2-CB 4.46Å; L104-V143 HydrophobicContact CD2-CG1 4.46Å; L104-V143 HydrophobicContact CD2-CG2 3.75Å; V143-A146 HydrophobicContact CB-CB 4.29Å; V143-A146 PolarHBondContact O-N 3.38Å; V143-S149 WeakPolarHBondContact CA-OG 3.35Å; V143-S149 PolarHBondContact N-OG 3.46Å; V143-S149 PolarHBondContact O-OG 2.85Å; V143-S149 VanDerWaalsContact O-OG 3.09Å; V143-F163 HydrophobicContact CG2-CD2 3.94Å
144	R	85.3	Confident	83.9	Confident	83 Å²	83	42.1 Å²	42.1	31%	0.313	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	144.4	177.5	-165.2	173.4	-68.5	-175.8	-2.2	110.7	I103 D105 A146	I103-R144 HydrophobicContact CB-CB 4.01Å; I103-R144 HydrophobicContact CG2-CB 4.2Å; I103-R144 PolarHBondContact O-N 3.4Å; D105-R144 IonicContact OD1-CZ 3.68Å; D105-R144 IonicContact OD1-NE 3.86Å; D105-R144 IonicContact OD1-NH2 2.7Å; D105-R144 PolarHBondContact OD1-NH2 3.2Å; D105-R144 IonicContact OD2-CZ 3.27Å; D105-R144 VanDerWaalsContact OD2-CZ 3.27Å; D105-R144 IonicContact OD2-NE 2.86Å; D105-R144 PolarHBondContact OD2-NE 3.49Å; D105-R144 IonicContact OD2-NH2 2.96Å; D105-R144 PolarHBondContact OD2-NH2 2.91Å; R144-A146 PolarHBondContact O-N 2.9Å; R144-A146 VanDerWaalsContact O-N 3.09Å
145	D	82.1	Confident	84.9	Confident	160 Å²	160	41.5 Å²	41.5	86%	0.856	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	5.2	-178.2	-52.5	-49.5	0	0	0	116.3
146	A	81.1	Confident	85.2	Confident	24 Å²	24	39.3 Å²	39.3	20%	0.198	19%	0.191	C	C	.	.			trans	-119.3	97.4	176.9	0	0	0	0	0	111.8	V143 R144 R148 S149	V143-A146 HydrophobicContact CB-CB 4.29Å; V143-A146 PolarHBondContact O-N 3.38Å; R144-A146 PolarHBondContact O-N 2.9Å; R144-A146 VanDerWaalsContact O-N 3.09Å; A146-R148 VanDerWaalsContact C-N 3.28Å; A146-R148 PolarHBondContact O-N 3.26Å; A146-S149 VanDerWaalsContact O-CB 3.26Å; A146-S149 WeakPolarHBondContact O-CB 3.2Å; A146-S149 PolarHBondContact O-N 2.91Å; A146-S149 VanDerWaalsContact O-N 3.14Å; A146-S149 PolarHBondContact O-OG 2.81Å
147	P	73.8	Confident	85.3	Confident	115 Å²	115	43.4 Å²	43.4	75%	0.747	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.5	-170.4	27.8	-35.9	0	0	0	115.4
148	R	77.6	Confident	85.2	Confident	215 Å²	215	44 Å²	44	81%	0.811	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	18.3	174.4	-60.1	-170.8	71.6	171.8	2.6	112.8	A146	A146-R148 VanDerWaalsContact C-N 3.28Å; A146-R148 PolarHBondContact O-N 3.26Å
149	S	85.7	Confident	85	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.			trans	-88.5	159	176.7	68.8	0	0	0	0	111.8	R142 V143 A146 F164	R142-S149 WeakPolarHBondContact CG-O 3.45Å; V143-S149 WeakPolarHBondContact CA-OG 3.35Å; V143-S149 PolarHBondContact N-OG 3.46Å; V143-S149 PolarHBondContact O-OG 2.85Å; V143-S149 VanDerWaalsContact O-OG 3.09Å; A146-S149 VanDerWaalsContact O-CB 3.26Å; A146-S149 WeakPolarHBondContact O-CB 3.2Å; A146-S149 PolarHBondContact O-N 2.91Å; A146-S149 VanDerWaalsContact O-N 3.14Å; A146-S149 PolarHBondContact O-OG 2.81Å; S149-F164 WeakPolarHBondContact CA-O 3.5Å; S149-F164 WeakPolarHBondContact CB-O 2.94Å
150	F	87.2	Confident	85	Confident	30 Å²	30	45.4 Å²	45.4	13%	0.132	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.1	170.6	54.6	-98	0	0	0	110.3	G141 M162 F163 F164 M278 E282	G141-F150 CarbonylContact O-C 3.56Å; G141-F150 VanDerWaalsContact O-CA 3.32Å; G141-F150 WeakPolarHBondContact O-CA 3.42Å; F150-M162 HydrophobicContact CD2-CE 4.38Å; F150-M162 HydrophobicContact CE2-CE 3.9Å; F150-F163 CarbonylContact O-C 3.25Å; F150-F163 VanDerWaalsContact O-CA 3.27Å; F150-F163 WeakPolarHBondContact O-CA 3.3Å; F150-F164 HydrophobicContact CD1-CB 4.15Å; F150-F164 AromaticContact CD1-CD1 3.9Å; F150-F164 HydrophobicContact CD1-CD1 3.9Å; F150-F164 HydrophobicContact CD1-CG 4.46Å; F150-F164 HydrophobicContact CD2-CB 4.06Å; F150-F164 HydrophobicContact CE1-CB 3.8Å; F150-F164 AromaticContact CE1-CD1 3.39Å; F150-F164 HydrophobicContact CE1-CD1 3.39Å; F150-F164 HydrophobicContact CE1-CE1 4.2Å; F150-F164 AromaticContact CE1-CG 3.85Å; F150-F164 HydrophobicContact CE1-CG 3.85Å; F150-F164 HydrophobicContact CE2-CB 3.69Å; F150-F164 HydrophobicContact CE2-CG 4.49Å; F150-F164 HydrophobicContact CG-CB 4.27Å; F150-F164 HydrophobicContact CZ-CB 3.56Å; F150-F164 AromaticContact CZ-CD1 3.9Å; F150-F164 HydrophobicContact CZ-CD1 3.9Å; F150-F164 AromaticContact CZ-CG 3.86Å; F150-F164 HydrophobicContact CZ-CG 3.86Å; F150-F164 PolarHBondContact N-O 3.45Å; F150-F164 PolarHBondContact O-N 2.94Å; F150-M278 HydrophobicContact CB-CE 4.15Å; F150-M278 HydrophobicContact CB-CG 4.3Å; F150-M278 HydrophobicContact CB-SD 3.82Å; F150-M278 HydrophobicContact CD2-CG 3.78Å; F150-M278 HydrophobicContact CD2-SD 4.4Å; F150-M278 HydrophobicContact CE2-CG 4.5Å; F150-M278 HydrophobicContact CG-CG 4.28Å; F150-M278 HydrophobicContact CG-SD 4.32Å; F150-E282 HydrophobicContact CD1-CG 4.45Å
151	A	89.6	Confident	84.8	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.5	178.2	0	0	0	0	0	110.4	V106 Q140 G141 M162 F163 M278	V106-A151 HydrophobicContact CG1-CB 4.16Å; Q140-A151 CarbonylContact C-O 3.54Å; Q140-A151 VanDerWaalsContact CA-O 3.26Å; Q140-A151 WeakPolarHBondContact CA-O 3.31Å; G141-A151 PolarHBondContact N-O 2.03Å; G141-A151 PolarHBondContact O-N 2.78Å; A151-M162 WeakPolarHBondContact CA-O 3.46Å; A151-F163 HydrophobicContact CB-CB 3.67Å; A151-M278 WeakPolarHBondContact O-CE 3.36Å
152	A	90.1	Very high	84.9	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	111.5	174.1	0	0	0	0	0	108.5	Y139 G161 M162 I275 M278	Y139-A152 WeakPolarHBondContact O-CA 3.39Å; A152-G161 WeakPolarHBondContact O-CA 3.24Å; A152-M162 PolarHBondContact N-O 2.7Å; A152-M162 PolarHBondContact O-N 3.07Å; A152-I275 HydrophobicContact CB-CG1 4.39Å; A152-M278 HydrophobicContact CB-CB 3.96Å; A152-M278 HydrophobicContact CB-CG 4.31Å
153	L	89.9	Confident	84.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	161.4	-167.9	-57.5	175.1	0	0	0	111.5	L104 V106 Y139 L159 H160 I172 N274	L104-L153 HydrophobicContact CD1-CD1 3.83Å; V106-L153 HydrophobicContact CG1-CD1 3.95Å; Y139-L153 PolarHBondContact N-O 2.03Å; Y139-L153 PolarHBondContact O-N 2.68Å; L153-L159 HydrophobicContact CB-CD1 4.28Å; L153-L159 HydrophobicContact CD1-CD1 4.1Å; L153-H160 CarbonylContact C-O 3.54Å; L153-H160 WeakPolarHBondContact CA-O 3.24Å; L153-I172 HydrophobicContact CD2-CG2 4.01Å; L153-N274 PolarHBondContact O-ND2 3.46Å
154	S	88.8	Confident	84.6	Confident	5 Å²	5	39.2 Å²	39.2	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.7	174.9	176.5	0	0	0	0	108.1	C137 H160 T271	C137-S154 WeakPolarHBondContact O-CA 3.01Å; C137-S154 PolarHBondContact SG-OG 2.03Å; S154-H160 WeakPolarHBondContact CB-O 3.5Å; S154-H160 PolarHBondContact N-O 2.97Å; S154-H160 PolarHBondContact O-N 2.75Å; S154-T271 PolarHBondContact OG-OG1 3.49Å
155	T	87.1	Confident	84.4	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.055	19%	0.186	C	C	.	.			trans	-120.5	7.9	-178	67.3	0	0	0	0	113.6	T74 F93 C137 Y139 H157 G158 L159	T74-T155 HydrophobicContact CG2-CG2 4.1Å; T74-T155 PolarHBondContact OG1-OG1 2.88Å; F93-T155 HydrophobicContact CE2-CG2 4.28Å; F93-T155 HydrophobicContact CZ-CG2 3.86Å; C137-T155 PolarHBondContact O-N 2.71Å; C137-T155 PolarHBondContact O-OG1 2.8Å; Y139-T155 HydrophobicContact CD2-CG2 4Å; Y139-T155 HydrophobicContact CE2-CG2 3.9Å; Y139-T155 WeakPolarHBondContact CE2-OG1 3.5Å; T155-H157 VanDerWaalsContact C-N 3.29Å; T155-H157 PolarHBondContact O-N 2.81Å; T155-G158 WeakPolarHBondContact CA-O 3.49Å; T155-L159 HydrophobicContact CG2-CD1 4.08Å
156	C	81.9	Confident	84	Confident	6 Å²	6	30.9 Å²	30.9	4%	0.041	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.2	-176.6	-78.1	0	0	0	0	113.2	R75 E135 C137 N267	R75-C156 PolarHBondContact NH2-O 2.89Å; R75-C156 VanDerWaalsContact NH2-O 3.11Å; E135-C156 PolarHBondContact OE2-SG 3.26Å; E135-C156 VanDerWaalsContact OE2-SG 3.33Å; C137-C156 HydrophobicContact CB-CB 3.97Å; C137-C156 WeakPolarHBondContact CB-SG 3.35Å; C137-C156 VanDerWaalsContact SG-CA 3.55Å; C137-C156 WeakPolarHBondContact SG-CB 2.98Å; C137-C156 PolarHBondContact SG-N 2.04Å; C137-C156 CovalentContact SG-SG 2.01Å; C137-C156 PolarHBondContact SG-SG 3.3Å; C156-N267 PolarHBondContact SG-ND2 3Å; C156-N267 VanDerWaalsContact SG-ND2 3.43Å
157	H	79.3	Confident	83.7	Confident	96 Å²	96	33.2 Å²	33.2	44%	0.444	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	49.8	-169.8	-63.6	118	0	0	0	111	T155	T155-H157 VanDerWaalsContact C-N 3.29Å; T155-H157 PolarHBondContact O-N 2.81Å
158	G	81.6	Confident	83.8	Confident	12 Å²	12	28.1 Å²	28.1	12%	0.124	14%	0.141	C	C	.	.	S	Bend	trans	87.5	178	-165.2	0	0	0	0	0	111.6	T155	T155-G158 WeakPolarHBondContact CA-O 3.49Å
159	L	84.7	Confident	83.8	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-86.1	115.9	-175.7	-168.6	62.7	0	0	0	110.5	P54 L72 F93 V95 L153 T155 I172 H187	P54-L159 HydrophobicContact CB-CD2 3.81Å; P54-L159 HydrophobicContact CG-CB 4.49Å; P54-L159 HydrophobicContact CG-CD2 4Å; L72-L159 HydrophobicContact CD1-CB 4.35Å; L72-L159 HydrophobicContact CD2-CD2 4.47Å; F93-L159 HydrophobicContact CB-CD2 4.33Å; F93-L159 HydrophobicContact CD1-CD1 4.47Å; F93-L159 HydrophobicContact CD1-CD2 4.25Å; F93-L159 HydrophobicContact CD2-CD1 4.35Å; F93-L159 HydrophobicContact CE1-CD1 4.43Å; F93-L159 HydrophobicContact CE2-CD1 4.31Å; F93-L159 HydrophobicContact CG-CD1 4.43Å; F93-L159 HydrophobicContact CG-CD2 4.24Å; F93-L159 HydrophobicContact CZ-CD1 4.35Å; V95-L159 HydrophobicContact CG2-CD2 4.5Å; L153-L159 HydrophobicContact CB-CD1 4.28Å; L153-L159 HydrophobicContact CD1-CD1 4.1Å; T155-L159 HydrophobicContact CG2-CD1 4.08Å; L159-I172 HydrophobicContact CD2-CD1 3.95Å; L159-I172 HydrophobicContact CG-CD1 4.28Å; L159-I172 HydrophobicContact CG-CG2 4.45Å; L159-H187 PolarHBondContact N-NE2 2.89Å; L159-H187 PolarHBondContact O-CD2 2.88Å
160	H	85.9	Confident	83.8	Confident	29 Å²	29	18.7 Å²	18.7	13%	0.134	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	128.6	-170.6	176.1	-137.8	0	0	0	111.4	L153 S154 I172 T366	L153-H160 CarbonylContact C-O 3.54Å; L153-H160 WeakPolarHBondContact CA-O 3.24Å; S154-H160 WeakPolarHBondContact CB-O 3.5Å; S154-H160 PolarHBondContact N-O 2.97Å; S154-H160 PolarHBondContact O-N 2.75Å; H160-I172 CarbonylContact C-O 3.55Å; H160-I172 WeakPolarHBondContact CA-O 3.37Å; H160-T366 VanDerWaalsContact CE1-CG2 3.41Å; H160-T366 WeakPolarHBondContact CE1-CG2 3.41Å; H160-T366 PolarHBondContact CE1-OG1 3.32Å; H160-T366 WeakPolarHBondContact NE2-CB 3.32Å; H160-T366 PolarHBondContact NE2-OG1 3.4Å
161	G	86	Confident	83.5	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-150.5	178.7	0	0	0	0	0	114.1	A152 I172	A152-G161 WeakPolarHBondContact O-CA 3.24Å; G161-I172 PolarHBondContact N-O 3.13Å; G161-I172 PolarHBondContact O-N 2.96Å
162	M	87.9	Confident	83.4	Confident	18 Å²	18	18 Å²	18	9%	0.089	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.6	-179.7	71.2	164.5	-170.2	0	0	113	F150 A151 A152 T169 Y170 I275 M278 I279	F150-M162 HydrophobicContact CD2-CE 4.38Å; F150-M162 HydrophobicContact CE2-CE 3.9Å; A151-M162 WeakPolarHBondContact CA-O 3.46Å; A152-M162 PolarHBondContact N-O 2.7Å; A152-M162 PolarHBondContact O-N 3.07Å; M162-T169 HydrophobicContact CB-CG2 4.43Å; M162-T169 HydrophobicContact SD-CG2 4.46Å; M162-Y170 CarbonylContact C-O 3.33Å; M162-Y170 VanDerWaalsContact CA-O 3.32Å; M162-Y170 WeakPolarHBondContact CA-O 3.41Å; M162-I275 HydrophobicContact CE-CG2 3.78Å; M162-I275 HydrophobicContact CG-CG2 4.06Å; M162-I275 HydrophobicContact SD-CG2 3.77Å; M162-M278 HydrophobicContact CE-CG 4.43Å; M162-I279 HydrophobicContact CE-CD1 4.32Å; M162-I279 HydrophobicContact CE-CG1 3.94Å
163	F	87.8	Confident	83.1	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.2	164.9	65.9	-89.2	0	0	0	112	F102 L104 V143 F150 A151 T169 Y170 I189	F102-F163 HydrophobicContact CB-CE2 4.03Å; F102-F163 HydrophobicContact CB-CZ 4.18Å; F102-F163 AromaticContact CD1-CE2 3.74Å; F102-F163 HydrophobicContact CD1-CE2 3.74Å; F102-F163 HydrophobicContact CD1-CZ 4.45Å; F102-F163 HydrophobicContact CD2-CE2 4.08Å; F102-F163 AromaticContact CD2-CZ 3.99Å; F102-F163 HydrophobicContact CD2-CZ 3.99Å; F102-F163 HydrophobicContact CE1-CE2 4.19Å; F102-F163 AromaticContact CG-CE2 3.67Å; F102-F163 HydrophobicContact CG-CE2 3.67Å; F102-F163 AromaticContact CG-CZ 3.95Å; F102-F163 HydrophobicContact CG-CZ 3.95Å; L104-F163 HydrophobicContact CD1-CD1 3.79Å; L104-F163 HydrophobicContact CD1-CE1 4.03Å; L104-F163 HydrophobicContact CD1-CG 4.22Å; L104-F163 HydrophobicContact CD2-CB 4.19Å; L104-F163 HydrophobicContact CD2-CD1 4.18Å; L104-F163 HydrophobicContact CD2-CD2 3.8Å; L104-F163 HydrophobicContact CD2-CE1 4.5Å; L104-F163 HydrophobicContact CD2-CE2 4.14Å; L104-F163 HydrophobicContact CD2-CG 3.81Å; L104-F163 HydrophobicContact CD2-CZ 4.47Å; V143-F163 HydrophobicContact CG2-CD2 3.94Å; F150-F163 CarbonylContact O-C 3.25Å; F150-F163 VanDerWaalsContact O-CA 3.27Å; F150-F163 WeakPolarHBondContact O-CA 3.3Å; A151-F163 HydrophobicContact CB-CB 3.67Å; F163-T169 CarbonylContact O-C 3.53Å; F163-T169 WeakPolarHBondContact O-CA 3.45Å; F163-T169 WeakPolarHBondContact O-CG2 3.4Å; F163-Y170 AromaticContact CD2-CD2 3.96Å; F163-Y170 HydrophobicContact CD2-CD2 3.96Å; F163-Y170 HydrophobicContact CD2-CG 4.36Å; F163-Y170 HydrophobicContact CE1-CG 4.43Å; F163-Y170 AromaticContact CE2-CD2 3.46Å; F163-Y170 HydrophobicContact CE2-CD2 3.46Å; F163-Y170 VanDerWaalsContact CE2-CD2 3.46Å; F163-Y170 HydrophobicContact CE2-CE2 4.36Å; F163-Y170 AromaticContact CE2-CG 3.69Å; F163-Y170 HydrophobicContact CE2-CG 3.69Å; F163-Y170 HydrophobicContact CZ-CD2 4.03Å; F163-Y170 AromaticContact CZ-CG 3.74Å; F163-Y170 HydrophobicContact CZ-CG 3.74Å; F163-Y170 PolarHBondContact N-O 2.73Å; F163-Y170 PolarHBondContact O-N 2.69Å; F163-I189 HydrophobicContact CE1-CD1 3.95Å; F163-I189 HydrophobicContact CZ-CD1 3.93Å
164	F	83.9	Confident	82.8	Confident	22 Å²	22	22.5 Å²	22.5	10%	0.096	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.5	-178.6	176.1	-115.3	0	0	0	109.6	S149 F150 G166 H168 T169	S149-F164 WeakPolarHBondContact CA-O 3.5Å; S149-F164 WeakPolarHBondContact CB-O 2.94Å; F150-F164 HydrophobicContact CD1-CB 4.15Å; F150-F164 AromaticContact CD1-CD1 3.9Å; F150-F164 HydrophobicContact CD1-CD1 3.9Å; F150-F164 HydrophobicContact CD1-CG 4.46Å; F150-F164 HydrophobicContact CD2-CB 4.06Å; F150-F164 HydrophobicContact CE1-CB 3.8Å; F150-F164 AromaticContact CE1-CD1 3.39Å; F150-F164 HydrophobicContact CE1-CD1 3.39Å; F150-F164 HydrophobicContact CE1-CE1 4.2Å; F150-F164 AromaticContact CE1-CG 3.85Å; F150-F164 HydrophobicContact CE1-CG 3.85Å; F150-F164 HydrophobicContact CE2-CB 3.69Å; F150-F164 HydrophobicContact CE2-CG 4.49Å; F150-F164 HydrophobicContact CG-CB 4.27Å; F150-F164 HydrophobicContact CZ-CB 3.56Å; F150-F164 AromaticContact CZ-CD1 3.9Å; F150-F164 HydrophobicContact CZ-CD1 3.9Å; F150-F164 AromaticContact CZ-CG 3.86Å; F150-F164 HydrophobicContact CZ-CG 3.86Å; F150-F164 PolarHBondContact N-O 3.45Å; F150-F164 PolarHBondContact O-N 2.94Å; F164-G166 VanDerWaalsContact C-N 3.34Å; F164-G166 VanDerWaalsContact CZ-O 3.27Å; F164-G166 WeakPolarHBondContact CZ-O 3.42Å; F164-H168 WeakPolarHBondContact CA-O 3.41Å; F164-H168 WeakPolarHBondContact CD2-O 3.22Å; F164-T169 WeakPolarHBondContact CD2-OG1 3.48Å
165	D	81.1	Confident	81.9	Confident	26 Å²	26	23.4 Å²	23.4	14%	0.139	14%	0.14	C	C	.	.			trans	-85	-6.1	-177.2	80	-15.9	0	0	0	114	K100 F102 N167 H168 Y170	K100-D165 IonicContact NZ-OD2 3.53Å; K100-D165 PolarHBondContact NZ-OD2 3.12Å; F102-D165 HydrophobicContact CE1-CB 4Å; D165-N167 PolarHBondContact OD1-N 2.69Å; D165-H168 PolarHBondContact N-O 2.89Å; D165-H168 PolarHBondContact OD1-N 3.25Å; D165-Y170 HydrophobicContact CB-CE2 4.05Å
166	G	74.1	Confident	80.5	Confident	41 Å²	41	26.6 Å²	26.6	42%	0.423	18%	0.175	S	C	.	.	S	Bend	trans	111.7	-18.2	-171.7	0	0	0	0	0	113.9	F164	F164-G166 VanDerWaalsContact C-N 3.34Å; F164-G166 VanDerWaalsContact CZ-O 3.27Å; F164-G166 WeakPolarHBondContact CZ-O 3.42Å
167	N	74.7	Confident	78.7	Confident	74 Å²	74	35.6 Å²	35.6	40%	0.396	22%	0.216	S	C	.	.	S	Bend	trans	-130.2	-47.1	179.3	-172.7	6.4	0	0	0	111.2	D165 E196	D165-N167 PolarHBondContact OD1-N 2.69Å; N167-E196 PolarHBondContact ND2-OE2 2.97Å; N167-E196 VanDerWaalsContact ND2-OE2 3.08Å
168	H	75.5	Confident	76.7	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.032	22%	0.224	C	C	.	.			trans	-115.7	150.2	-179.7	-57.3	83.5	0	0	0	111.5	F164 D165 Y170 K191 S192 G194	F164-H168 WeakPolarHBondContact CA-O 3.41Å; F164-H168 WeakPolarHBondContact CD2-O 3.22Å; D165-H168 PolarHBondContact N-O 2.89Å; D165-H168 PolarHBondContact OD1-N 3.25Å; H168-Y170 HydrophobicContact CB-CE2 3.75Å; H168-K191 WeakPolarHBondContact CD2-CE 3.47Å; H168-K191 VanDerWaalsContact NE2-CE 3.33Å; H168-K191 WeakPolarHBondContact NE2-CE 3.31Å; H168-S192 PolarHBondContact CD2-O 3.43Å; H168-G194 WeakPolarHBondContact NE2-CA 3.29Å
169	T	77.9	Confident	74.7	Confident	15 Å²	15	39.3 Å²	39.3	9%	0.092	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.5	168.1	-46.7	0	0	0	0	108.7	M162 F163 F164 S192 K415	M162-T169 HydrophobicContact CB-CG2 4.43Å; M162-T169 HydrophobicContact SD-CG2 4.46Å; F163-T169 CarbonylContact O-C 3.53Å; F163-T169 WeakPolarHBondContact O-CA 3.45Å; F163-T169 WeakPolarHBondContact O-CG2 3.4Å; F164-T169 WeakPolarHBondContact CD2-OG1 3.48Å; T169-S192 PolarHBondContact N-OG 3.08Å; T169-S192 VanDerWaalsContact N-OG 3.15Å; T169-S192 PolarHBondContact O-N 2.9Å; T169-S192 VanDerWaalsContact O-N 3.08Å; T169-S192 PolarHBondContact O-OG 3.45Å; T169-K415 VanDerWaalsContact CB-NZ 3.28Å; T169-K415 HydrophobicContact CG2-CD 4.23Å; T169-K415 WeakPolarHBondContact OG1-CD 3.42Å; T169-K415 VanDerWaalsContact OG1-CE 3.3Å; T169-K415 WeakPolarHBondContact OG1-CE 3.09Å; T169-K415 PolarHBondContact OG1-NZ 2.78Å
170	Y	84.1	Confident	72.8	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138	178.1	-61.6	-86.5	0	0	0	108.7	F98 F102 M162 F163 D165 H168 I189 Y190 K191	F98-Y170 AromaticContact CD2-CD1 3.99Å; F98-Y170 HydrophobicContact CD2-CD1 3.99Å; F98-Y170 AromaticContact CD2-CE1 3.62Å; F98-Y170 HydrophobicContact CD2-CE1 3.62Å; F98-Y170 HydrophobicContact CE2-CD1 4.06Å; F98-Y170 HydrophobicContact CE2-CE1 4.09Å; F98-Y170 HydrophobicContact CG-CE1 4.44Å; F102-Y170 HydrophobicContact CE1-CD2 4.38Å; F102-Y170 AromaticContact CE1-CE2 3.83Å; F102-Y170 HydrophobicContact CE1-CE2 3.83Å; F102-Y170 HydrophobicContact CE2-CE1 4.25Å; F102-Y170 HydrophobicContact CE2-CE2 4.46Å; F102-Y170 HydrophobicContact CZ-CD2 4.24Å; F102-Y170 AromaticContact CZ-CE1 3.97Å; F102-Y170 HydrophobicContact CZ-CE1 3.97Å; F102-Y170 AromaticContact CZ-CE2 3.61Å; F102-Y170 HydrophobicContact CZ-CE2 3.61Å; F102-Y170 AromaticContact CZ-CZ 3.45Å; F102-Y170 VanDerWaalsContact CZ-CZ 3.45Å; M162-Y170 CarbonylContact C-O 3.33Å; M162-Y170 VanDerWaalsContact CA-O 3.32Å; M162-Y170 WeakPolarHBondContact CA-O 3.41Å; F163-Y170 AromaticContact CD2-CD2 3.96Å; F163-Y170 HydrophobicContact CD2-CD2 3.96Å; F163-Y170 HydrophobicContact CD2-CG 4.36Å; F163-Y170 HydrophobicContact CE1-CG 4.43Å; F163-Y170 AromaticContact CE2-CD2 3.46Å; F163-Y170 HydrophobicContact CE2-CD2 3.46Å; F163-Y170 VanDerWaalsContact CE2-CD2 3.46Å; F163-Y170 HydrophobicContact CE2-CE2 4.36Å; F163-Y170 AromaticContact CE2-CG 3.69Å; F163-Y170 HydrophobicContact CE2-CG 3.69Å; F163-Y170 HydrophobicContact CZ-CD2 4.03Å; F163-Y170 AromaticContact CZ-CG 3.74Å; F163-Y170 HydrophobicContact CZ-CG 3.74Å; F163-Y170 PolarHBondContact N-O 2.73Å; F163-Y170 PolarHBondContact O-N 2.69Å; D165-Y170 HydrophobicContact CB-CE2 4.05Å; H168-Y170 HydrophobicContact CB-CE2 3.75Å; Y170-I189 HydrophobicContact CD1-CD1 4.43Å; Y170-Y190 VanDerWaalsContact CA-O 3.3Å; Y170-Y190 WeakPolarHBondContact CA-O 3.49Å; Y170-K191 HydrophobicContact CD1-CB 4.24Å; Y170-K191 HydrophobicContact CD1-CG 4.45Å; Y170-K191 HydrophobicContact CE1-CB 3.98Å; Y170-K191 HydrophobicContact CE1-CD 4.36Å; Y170-K191 HydrophobicContact CE1-CG 3.82Å
171	M	81.9	Confident	70.4	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.064	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.2	-179.4	-176	-178.9	80.5	0	0	108.1	F46 I189 Y190 N367	F46-M171 HydrophobicContact CE1-CE 3.93Å; F46-M171 HydrophobicContact CE1-SD 4.45Å; F46-M171 HydrophobicContact CE2-CE 3.88Å; F46-M171 HydrophobicContact CZ-CE 3.32Å; F46-M171 HydrophobicContact CZ-SD 4.13Å; M171-I189 VanDerWaalsContact O-CA 3.32Å; M171-I189 WeakPolarHBondContact O-CA 3.21Å; M171-Y190 HydrophobicContact CE-CD2 3.36Å; M171-Y190 HydrophobicContact CE-CE2 3.78Å; M171-Y190 HydrophobicContact CE-CG 3.88Å; M171-Y190 PolarHBondContact N-O 3.18Å; M171-Y190 PolarHBondContact O-N 2.93Å; M171-N367 HydrophobicContact CG-CB 4.4Å; M171-N367 VanDerWaalsContact CG-ND2 3.25Å; M171-N367 WeakPolarHBondContact CG-ND2 3.29Å; M171-N367 HydrophobicContact SD-CB 3.58Å; M171-N367 VanDerWaalsContact SD-CB 3.58Å; M171-N367 PolarHBondContact SD-ND2 3.29Å
172	I	86.4	Confident	68.2	Low	1 Å²	1	53.9 Å²	53.9	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.8	-177.9	-168.6	163.4	0	0	0	110.4	T52 P54 V95 L153 L159 H160 G161 H187 L188	T52-I172 HydrophobicContact CG2-CD1 4.23Å; P54-I172 HydrophobicContact CB-CD1 4.47Å; P54-I172 HydrophobicContact CG-CD1 4.22Å; V95-I172 HydrophobicContact CG1-CD1 4.21Å; L153-I172 HydrophobicContact CD2-CG2 4.01Å; L159-I172 HydrophobicContact CD2-CD1 3.95Å; L159-I172 HydrophobicContact CG-CD1 4.28Å; L159-I172 HydrophobicContact CG-CG2 4.45Å; H160-I172 CarbonylContact C-O 3.55Å; H160-I172 WeakPolarHBondContact CA-O 3.37Å; G161-I172 PolarHBondContact N-O 3.13Å; G161-I172 PolarHBondContact O-N 2.96Å; I172-H187 HydrophobicContact CD1-CB 4.03Å; I172-H187 HydrophobicContact CG1-CB 3.96Å; I172-L188 WeakPolarHBondContact CA-O 3.48Å
173	E	84.9	Confident	66.4	Low	41 Å²	41	60.2 Å²	60.2	19%	0.192	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149	173.2	69.3	-173.1	-176.1	0	0	110.5	G175 H187 L188 Y190	E173-G175 PolarHBondContact O-N 2.73Å; E173-H187 WeakPolarHBondContact O-CA 3.37Å; E173-L188 HydrophobicContact CG-CB 3.84Å; E173-L188 HydrophobicContact CG-CD1 4.34Å; E173-L188 PolarHBondContact N-O 3.21Å; E173-L188 PolarHBondContact O-N 3Å; E173-L188 WeakPolarHBondContact OE1-CD1 3.49Å; E173-Y190 HydrophobicContact CG-CE2 3.94Å; E173-Y190 VanDerWaalsContact OE1-CE2 3.24Å; E173-Y190 WeakPolarHBondContact OE1-CE2 3.2Å; E173-Y190 VanDerWaalsContact OE1-CZ 3.31Å; E173-Y190 PolarHBondContact OE1-OH 2.89Å
174	P	82.9	Confident	64.9	Low	55 Å²	55	65.3 Å²	65.3	36%	0.357	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	129.7	174.6	25.9	-34.7	0	0	0	110.7
175	G	70.4	Confident	64	Low	24 Å²	24	69 Å²	69	25%	0.247	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-68.6	146.8	173.9	0	0	0	0	0	111.5	E173 V186	E173-G175 PolarHBondContact O-N 2.73Å; G175-V186 VanDerWaalsContact CA-O 3.31Å; G175-V186 WeakPolarHBondContact CA-O 3.37Å; G175-V186 PolarHBondContact N-O 2.76Å
176	G	57.6	Low	63.9	Low	76 Å²	76	70 Å²	70	78%	0.784	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-58.6	145.7	170.7	0	0	0	0	0	111.4	A178	G176-A178 PolarHBondContact O-N 3.07Å; G176-A178 VanDerWaalsContact O-N 3.14Å
177	Q	44.5	Very low	64.4	Low	194 Å²	194	68.1 Å²	68.1	91%	0.907	42%	0.423	S	S	*	.			trans	-44.4	117	-173.1	-74.4	177.4	-22.8	0	0	113.1	S179	Q177-S179 PolarHBondContact O-N 2.86Å
178	A	36.8	Very low	64.9	Low	74 Å²	74	66 Å²	66	61%	0.612	41%	0.411	S	S	*	.			trans	-68.4	117.2	167.3	0	0	0	0	0	109.2	G176 N180	G176-A178 PolarHBondContact O-N 3.07Å; G176-A178 VanDerWaalsContact O-N 3.14Å; A178-N180 PolarHBondContact O-N 2.84Å
179	S	39.8	Very low	65.4	Low	112 Å²	112	65.6 Å²	65.6	78%	0.783	41%	0.41	S	S	*	.	S	Bend	trans	-62.3	119	177.6	-46.1	0	0	0	0	111.1	Q177	Q177-S179 PolarHBondContact O-N 2.86Å
180	N	43.7	Very low	65.6	Low	158 Å²	158	65.6 Å²	65.6	85%	0.845	41%	0.408	S	S	*	.	S	Bend	trans	61.6	65.8	162.6	-59.9	-18.9	0	0	0	117.9	A178	A178-N180 PolarHBondContact O-N 2.84Å
181	S	36.8	Very low	65.3	Low	119 Å²	119	66.8 Å²	66.8	83%	0.832	41%	0.413	S	S	*	.	S	Bend	trans	-168.7	158	134.9	22.9	0	0	0	0	110
182	G	40.2	Very low	64.6	Low	58 Å²	58	67.1 Å²	67.1	60%	0.598	42%	0.417	S	S	*	.	S	Bend	trans	-71.1	156.9	-159.6	0	0	0	0	0	117.8	L184	G182-L184 VanDerWaalsContact C-N 3.26Å; G182-L184 PolarHBondContact O-N 3.05Å
183	D	49.7	Very low	63.2	Low	152 Å²	152	68.2 Å²	68.2	81%	0.813	43%	0.426	S	S	*	.	S	Bend	trans	53.8	-15.2	159.3	-62.1	-13.9	0	0	0	121.8	Q185	D183-Q185 PolarHBondContact O-N 3.12Å; D183-Q185 VanDerWaalsContact O-N 3.17Å
184	L	55.5	Low	61.5	Low	106 Å²	106	66.6 Å²	66.6	56%	0.555	42%	0.421	S	S	*	.			trans	-82.5	99.1	-180	-69.7	162.8	0	0	0	112.1	V53 G182 V186	V53-L184 HydrophobicContact CG1-CD2 3.79Å; G182-L184 VanDerWaalsContact C-N 3.26Å; G182-L184 PolarHBondContact O-N 3.05Å; L184-V186 PolarHBondContact O-N 2.91Å
185	Q	66	Low	59.5	Low	100 Å²	100	71.7 Å²	71.7	47%	0.467	44%	0.44	S	S	.	.			trans	-71.4	90.6	169.4	-67	-171	4.4	0	0	110.6	L72 D183 H187	L72-Q185 HydrophobicContact CD1-CB 4.34Å; D183-Q185 PolarHBondContact O-N 3.12Å; D183-Q185 VanDerWaalsContact O-N 3.17Å; Q185-H187 PolarHBondContact O-CE1 3.02Å; Q185-H187 PolarHBondContact O-N 2.85Å; Q185-H187 PolarHBondContact O-ND1 2.84Å
186	V	79.5	Confident	58.2	Low	48 Å²	48	77 Å²	77	29%	0.291	46%	0.458	S	S	.	.			trans	-66	131.1	173.6	-176.5	0	0	0	0	110	N51 G175 L184	N51-V186 HydrophobicContact CB-CG1 4Å; G175-V186 VanDerWaalsContact CA-O 3.31Å; G175-V186 WeakPolarHBondContact CA-O 3.37Å; G175-V186 PolarHBondContact N-O 2.76Å; L184-V186 PolarHBondContact O-N 2.91Å
187	H	84.1	Confident	57.4	Low	1 Å²	1	76.9 Å²	76.9	1%	0.005	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.1	174.8	-70.4	68.3	0	0	0	110.3	N51 T52 P54 L72 L159 I172 E173 Q185	N51-H187 WeakPolarHBondContact CA-O 3.26Å; T52-H187 HydrophobicContact CG2-CB 4.06Å; T52-H187 PolarHBondContact N-O 3.35Å; T52-H187 PolarHBondContact O-N 2.86Å; P54-H187 WeakPolarHBondContact CD-ND1 3.2Å; P54-H187 HydrophobicContact CG-CB 4.18Å; P54-H187 WeakPolarHBondContact CG-ND1 3.14Å; L72-H187 WeakPolarHBondContact CD1-CE1 3.41Å; L159-H187 PolarHBondContact N-NE2 2.89Å; L159-H187 PolarHBondContact O-CD2 2.88Å; I172-H187 HydrophobicContact CD1-CB 4.03Å; I172-H187 HydrophobicContact CG1-CB 3.96Å; E173-H187 WeakPolarHBondContact O-CA 3.37Å; Q185-H187 PolarHBondContact O-CE1 3.02Å; Q185-H187 PolarHBondContact O-N 2.85Å; Q185-H187 PolarHBondContact O-ND1 2.84Å
188	L	85.4	Confident	57.3	Low	28 Å²	28	71.2 Å²	71.2	15%	0.147	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.9	173.2	-62.7	175	0	0	0	108	N51 I172 E173 Y190	N51-L188 WeakPolarHBondContact OD1-CD2 3.35Å; I172-L188 WeakPolarHBondContact CA-O 3.48Å; E173-L188 HydrophobicContact CG-CB 3.84Å; E173-L188 HydrophobicContact CG-CD1 4.34Å; E173-L188 PolarHBondContact N-O 3.21Å; E173-L188 PolarHBondContact O-N 3Å; E173-L188 WeakPolarHBondContact OE1-CD1 3.49Å; L188-Y190 HydrophobicContact CB-CE2 3.94Å
189	I	85.4	Confident	57.3	Low	0 Å²	0	71.9 Å²	71.9	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.1	175	-168.8	164.4	0	0	0	110.9	E50 T52 V95 A97 F98 F163 Y170 M171	E50-I189 HydrophobicContact CB-CG2 4.03Å; E50-I189 PolarHBondContact N-O 3.33Å; E50-I189 PolarHBondContact O-N 3.17Å; T52-I189 HydrophobicContact CG2-CB 3.89Å; T52-I189 HydrophobicContact CG2-CG2 3.74Å; V95-I189 HydrophobicContact CG1-CD1 3.79Å; A97-I189 HydrophobicContact CB-CD1 3.83Å; A97-I189 HydrophobicContact CB-CG2 3.66Å; F98-I189 HydrophobicContact CE2-CG1 4.29Å; F98-I189 HydrophobicContact CE2-CG2 4.03Å; F163-I189 HydrophobicContact CE1-CD1 3.95Å; F163-I189 HydrophobicContact CZ-CD1 3.93Å; Y170-I189 HydrophobicContact CD1-CD1 4.43Å; M171-I189 VanDerWaalsContact O-CA 3.32Å; M171-I189 WeakPolarHBondContact O-CA 3.21Å
190	Y	81.8	Confident	57.1	Low	15 Å²	15	73.3 Å²	73.3	6%	0.059	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.9	-176.6	-56.1	-91	0	0	0	110.2	F46 G48 K49 Y170 M171 E173 L188	F46-Y190 HydrophobicContact CB-CD1 3.94Å; F46-Y190 HydrophobicContact CD1-CD1 4.28Å; F46-Y190 HydrophobicContact CD1-CG 4.21Å; F46-Y190 AromaticContact CD2-CD1 3.28Å; F46-Y190 HydrophobicContact CD2-CD1 3.28Å; F46-Y190 AromaticContact CD2-CE1 3.82Å; F46-Y190 HydrophobicContact CD2-CE1 3.82Å; F46-Y190 AromaticContact CD2-CG 3.89Å; F46-Y190 HydrophobicContact CD2-CG 3.89Å; F46-Y190 HydrophobicContact CE1-CG 4.42Å; F46-Y190 AromaticContact CE2-CD1 3.82Å; F46-Y190 HydrophobicContact CE2-CD1 3.82Å; F46-Y190 HydrophobicContact CE2-CE1 4.18Å; F46-Y190 HydrophobicContact CE2-CG 4.13Å; F46-Y190 AromaticContact CG-CD1 3.55Å; F46-Y190 HydrophobicContact CG-CD1 3.55Å; F46-Y190 HydrophobicContact CG-CE1 4.5Å; F46-Y190 AromaticContact CG-CG 3.94Å; F46-Y190 HydrophobicContact CG-CG 3.94Å; F46-Y190 HydrophobicContact CZ-CG 4.4Å; G48-Y190 WeakPolarHBondContact O-CA 3.29Å; K49-Y190 HydrophobicContact CB-CD1 4.05Å; K49-Y190 HydrophobicContact CB-CE1 4.15Å; K49-Y190 HydrophobicContact CD-CD1 4.37Å; K49-Y190 HydrophobicContact CD-CE1 3.62Å; K49-Y190 HydrophobicContact CG-CD1 3.99Å; K49-Y190 HydrophobicContact CG-CE1 3.69Å; K49-Y190 PolarHBondContact NZ-OH 3.03Å; Y170-Y190 VanDerWaalsContact CA-O 3.3Å; Y170-Y190 WeakPolarHBondContact CA-O 3.49Å; M171-Y190 HydrophobicContact CE-CD2 3.36Å; M171-Y190 HydrophobicContact CE-CE2 3.78Å; M171-Y190 HydrophobicContact CE-CG 3.88Å; M171-Y190 PolarHBondContact N-O 3.18Å; M171-Y190 PolarHBondContact O-N 2.93Å; E173-Y190 HydrophobicContact CG-CE2 3.94Å; E173-Y190 VanDerWaalsContact OE1-CE2 3.24Å; E173-Y190 WeakPolarHBondContact OE1-CE2 3.2Å; E173-Y190 VanDerWaalsContact OE1-CZ 3.31Å; E173-Y190 PolarHBondContact OE1-OH 2.89Å; L188-Y190 HydrophobicContact CB-CE2 3.94Å
191	K	78.7	Confident	56.7	Low	28 Å²	28	73.6 Å²	73.6	12%	0.122	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.2	174.4	-178.6	-172.5	172.7	-168.4	0	109.7	G48 F98 H168 Y170 E197	G48-K191 PolarHBondContact O-N 3.49Å; F98-K191 HydrophobicContact CD1-CB 4.33Å; F98-K191 HydrophobicContact CD1-CD 4.3Å; F98-K191 HydrophobicContact CD2-CB 4.08Å; F98-K191 HydrophobicContact CE1-CB 3.95Å; F98-K191 HydrophobicContact CE2-CB 3.67Å; F98-K191 HydrophobicContact CG-CB 4.4Å; F98-K191 HydrophobicContact CG-CD 4.3Å; F98-K191 HydrophobicContact CZ-CB 3.6Å; H168-K191 WeakPolarHBondContact CD2-CE 3.47Å; H168-K191 VanDerWaalsContact NE2-CE 3.33Å; H168-K191 WeakPolarHBondContact NE2-CE 3.31Å; Y170-K191 HydrophobicContact CD1-CB 4.24Å; Y170-K191 HydrophobicContact CD1-CG 4.45Å; Y170-K191 HydrophobicContact CE1-CB 3.98Å; Y170-K191 HydrophobicContact CE1-CD 4.36Å; Y170-K191 HydrophobicContact CE1-CG 3.82Å; K191-E197 IonicContact NZ-OE1 3.9Å; K191-E197 PolarHBondContact NZ-OE1 2.85Å
192	S	66.8	Low	56.6	Low	20 Å²	20	75.2 Å²	75.2	14%	0.14	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-69.3	148.8	169.5	65.8	0	0	0	0	111.9	H168 T169 G194 K415	H168-S192 PolarHBondContact CD2-O 3.43Å; T169-S192 PolarHBondContact N-OG 3.08Å; T169-S192 VanDerWaalsContact N-OG 3.15Å; T169-S192 PolarHBondContact O-N 2.9Å; T169-S192 VanDerWaalsContact O-N 3.08Å; T169-S192 PolarHBondContact O-OG 3.45Å; S192-G194 PolarHBondContact O-N 3.09Å; S192-K415 VanDerWaalsContact CB-NZ 3.28Å; S192-K415 PolarHBondContact OG-NZ 2.7Å
193	A	56.3	Low	56.2	Low	23 Å²	23	76.4 Å²	76.4	19%	0.19	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-50.6	130	170.1	0	0	0	0	0	111.3	V47 W401 Y412	V47-A193 HydrophobicContact CG2-CB 3.55Å; A193-W401 HydrophobicContact CB-CE3 4.16Å; A193-Y412 HydrophobicContact CB-CE1 4.28Å
194	G	48.7	Very low	55.3	Low	8 Å²	8	71.9 Å²	71.9	8%	0.082	40%	0.399	C	S	.	.			trans	-104.4	165.1	176.8	0	0	0	0	0	112.5	H168 S192 E196	H168-G194 WeakPolarHBondContact NE2-CA 3.29Å; S192-G194 PolarHBondContact O-N 3.09Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 2.78Å
195	Q	42	Very low	54.6	Low	162 Å²	162	75.1 Å²	75.1	76%	0.757	42%	0.418	S	S	*	.	S	Bend	trans	-75.1	-17.9	178.9	-158.9	169	13.2	0	0	113.1
196	E	42.6	Very low	52.9	Low	136 Å²	136	78 Å²	78	64%	0.636	44%	0.435	S	S	*	.	S	Bend	trans	-86.9	-24.9	-170.9	-66.6	176.2	136.7	0	0	114.7	N167 G194 L198	N167-E196 PolarHBondContact ND2-OE2 2.97Å; N167-E196 VanDerWaalsContact ND2-OE2 3.08Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 2.78Å; E196-L198 PolarHBondContact O-N 3.03Å
197	E	41.2	Very low	50.6	Low	73 Å²	73	81.5 Å²	81.5	34%	0.341	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.2	-179.3	-72.6	170.7	-159.2	0	0	113.2	V47 K191 S199	V47-E197 WeakPolarHBondContact CG1-OE2 3.3Å; K191-E197 IonicContact NZ-OE1 3.9Å; K191-E197 PolarHBondContact NZ-OE1 2.85Å; E197-S199 PolarHBondContact O-N 3.28Å
198	L	42.4	Very low	48.1	Very low	74 Å²	74	90.1 Å²	90.1	39%	0.387	50%	0.499	S	S	.	.	H	α-helix	trans	-75.2	-20.9	-175.9	-164.6	73.7	0	0	0	113.9	E196 D200 F202 W401	E196-L198 PolarHBondContact O-N 3.03Å; L198-D200 VanDerWaalsContact C-N 3.33Å; L198-D200 PolarHBondContact O-N 3.39Å; L198-F202 HydrophobicContact CD1-CD2 3.85Å; L198-F202 HydrophobicContact CD1-CE2 3.79Å; L198-F202 HydrophobicContact CG-CD2 4.26Å; L198-W401 HydrophobicContact CD1-CH2 3.26Å; L198-W401 HydrophobicContact CD1-CZ2 3.6Å; L198-W401 HydrophobicContact CD1-CZ3 3.98Å
199	S	37	Very low	45.7	Very low	89 Å²	89	94.2 Å²	94.2	62%	0.622	53%	0.527	S	S	*	.	H	α-helix	trans	-67.4	-33	178.7	56.7	0	0	0	0	113	E197	E197-S199 PolarHBondContact O-N 3.28Å
200	D	35.6	Very low	43.2	Very low	141 Å²	141	99.3 Å²	99.3	75%	0.754	56%	0.56	S	S	*	*	H	α-helix	trans	-89.9	-21.8	-171.1	-71.9	8.9	0	0	0	112.7	L198	L198-D200 VanDerWaalsContact C-N 3.33Å; L198-D200 PolarHBondContact O-N 3.39Å
201	F	35.9	Very low	40.9	Very low	164 Å²	164	107.3 Å²	107.3	72%	0.719	60%	0.596	S	S	*	*	H	α-helix	trans	-85	-16.5	176.8	-84.2	-84.5	0	0	0	114.5
202	F	34.8	Very low	38.7	Very low	153 Å²	153	112 Å²	112	67%	0.671	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	45.1	178.6	-71.9	-78.6	0	0	0	113	L198 G204	L198-F202 HydrophobicContact CD1-CD2 3.85Å; L198-F202 HydrophobicContact CD1-CE2 3.79Å; L198-F202 HydrophobicContact CG-CD2 4.26Å; F202-G204 PolarHBondContact O-N 2.82Å
203	G	31.6	Very low	37.1	Very low	83 Å²	83	116.3 Å²	116.3	86%	0.856	66%	0.659	S	S	*	*			trans	-69.7	66.7	162.2	0	0	0	0	0	112.4
204	G	30.1	Very low	35.9	Very low	57 Å²	57	119.4 Å²	119.4	59%	0.588	68%	0.678	S	S	*	*	S	Bend	trans	-156.4	108.6	179.6	0	0	0	0	0	112.3	F202 L206	F202-G204 PolarHBondContact O-N 2.82Å; G204-L206 PolarHBondContact O-N 3Å
205	D	39.8	Very low	35	Very low	175 Å²	175	125.2 Å²	125.2	94%	0.936	71%	0.714	S	S	*	*			trans	-54	116	-178.7	-73.7	-49.1	0	0	0	112.6
206	L	30.5	Very low	34.4	Very low	160 Å²	160	126.3 Å²	126.3	84%	0.838	72%	0.717	S	S	*	*			trans	-117.1	131.4	160	-79.2	169.5	0	0	0	108.3	G204	G204-L206 PolarHBondContact O-N 3Å
207	P	32	Very low	33.8	Very low	121 Å²	121	125.5 Å²	125.5	79%	0.786	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-70.7	139.5	-166.8	25.9	-33	0	0	0	112.6
208	E	32.1	Very low	33.2	Very low	183 Å²	183	130.6 Å²	130.6	86%	0.855	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-54.3	137.2	173.5	-76.3	-174.2	119.2	0	0	111.9
209	P	34.6	Very low	32.6	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-67.2	130.1	166.1	28.2	-32.1	0	0	0	109.7	F211	P209-F211 VanDerWaalsContact C-N 3.29Å; P209-F211 PolarHBondContact O-N 2.86Å
210	P	32.7	Very low	32.1	Very low	107 Å²	107	136 Å²	136	70%	0.695	77%	0.77	S	S	*	*	S	Bend	trans	-84.3	54.3	-161.7	34.9	-39.7	0	0	0	114.2
211	F	34	Very low	31.9	Very low	183 Å²	183	135 Å²	135	80%	0.803	77%	0.769	S	S	*	*			trans	-144.9	110.8	174.1	-70	-73.2	0	0	0	112.8	P209 S213	P209-F211 VanDerWaalsContact C-N 3.29Å; P209-F211 PolarHBondContact O-N 2.86Å; F211-S213 PolarHBondContact O-N 2.91Å
212	P	33.1	Very low	31.6	Very low	127 Å²	127	132.5 Å²	132.5	83%	0.825	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-70.4	121.8	171.2	28.6	-32.5	0	0	0	110.1
213	S	32	Very low	31.3	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-73.4	134.9	170.7	45.1	0	0	0	0	110.3	F211	F211-S213 PolarHBondContact O-N 2.91Å
214	P	31.5	Very low	31.2	Very low	89 Å²	89	140.5 Å²	140.5	58%	0.578	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-74	146.4	178.9	30.2	-34.3	0	0	0	111.1	F216	P214-F216 PolarHBondContact O-N 2.87Å
215	P	30.3	Very low	31.2	Very low	130 Å²	130	149.6 Å²	149.6	84%	0.844	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.4	120.9	176.7	27.7	-33.6	0	0	0	110.7
216	F	28.9	Very low	30.9	Very low	185 Å²	185	150.9 Å²	150.9	81%	0.811	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81.3	139.6	170.8	-79.2	-89.2	0	0	0	110.6	P214	P214-F216 PolarHBondContact O-N 2.87Å
217	P	30.2	Very low	31	Very low	119 Å²	119	153 Å²	153	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79.2	147.4	-174.3	31.6	-35.6	0	0	0	113.2	S219	P217-S219 PolarHBondContact O-N 2.94Å
218	E	27.8	Very low	31.2	Very low	179 Å²	179	159.3 Å²	159.3	84%	0.836	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-52.4	130.3	175.8	-61.5	174.6	135.8	0	0	113	K220	E218-K220 PolarHBondContact O-N 3.25Å
219	S	29.8	Very low	31.3	Very low	114 Å²	114	159.3 Å²	159.3	80%	0.797	80%	0.798	S	S	*	*			trans	-76.6	100.5	174.5	49.2	0	0	0	0	111.2	P217 V221	P217-S219 PolarHBondContact O-N 2.94Å; S219-V221 PolarHBondContact O-N 3.48Å; S219-V221 VanDerWaalsContact O-N 3.15Å
220	K	27.1	Very low	31	Very low	162 Å²	162	158.1 Å²	158.1	70%	0.704	80%	0.798	S	S	*	*			trans	-65.2	114.5	174.5	-69.4	-177.3	179.4	177.2	0	111.2	E218 V222	E218-K220 PolarHBondContact O-N 3.25Å; K220-V222 PolarHBondContact O-N 3.45Å
221	V	32	Very low	31.1	Very low	121 Å²	121	159 Å²	159	73%	0.733	80%	0.804	S	S	*	*			trans	-59.6	117.7	175.2	180	0	0	0	0	110.4	S219 H223	S219-V221 PolarHBondContact O-N 3.48Å; S219-V221 VanDerWaalsContact O-N 3.15Å; V221-H223 PolarHBondContact O-N 2.92Å
222	V	28.4	Very low	31.2	Very low	112 Å²	112	161.6 Å²	161.6	68%	0.679	81%	0.808	S	S	*	*			trans	-84.6	97.7	178.4	179.6	0	0	0	0	109.8	K220 W224	K220-V222 PolarHBondContact O-N 3.45Å; V222-W224 PolarHBondContact O-N 2.93Å
223	H	29.1	Very low	31.5	Very low	170 Å²	170	161.4 Å²	161.4	79%	0.787	80%	0.8	S	S	*	*			trans	-66.5	99.8	172.6	-74.8	-65.7	0	0	0	112	V221 R225	V221-H223 PolarHBondContact O-N 2.92Å; H223-R225 PolarHBondContact O-N 2.91Å
224	W	29.6	Very low	31.8	Very low	233 Å²	233	159.3 Å²	159.3	88%	0.883	79%	0.785	S	S	*	*			trans	-67.9	113.7	167.8	-73.5	84.8	0	0	0	110.5	V222 K226	V222-W224 PolarHBondContact O-N 2.93Å; W224-K226 PolarHBondContact O-N 2.8Å
225	R	29.5	Very low	32.9	Very low	249 Å²	249	160.4 Å²	160.4	94%	0.94	78%	0.778	S	S	*	*			trans	-68	89.7	175.2	-69.7	-176.4	179.8	-178.9	0.5	110.7	H223 K227	H223-R225 PolarHBondContact O-N 2.91Å; R225-K227 PolarHBondContact O-N 2.86Å
226	K	33.8	Very low	34.4	Very low	202 Å²	202	156.4 Å²	156.4	88%	0.878	75%	0.753	S	S	*	*			trans	-55.2	133.6	164.9	-75.4	-176.9	177.1	177.5	0	109	W224 R228	W224-K226 PolarHBondContact O-N 2.8Å; K226-R228 PolarHBondContact O-N 2.81Å
227	K	32.6	Very low	36.3	Very low	204 Å²	204	148.1 Å²	148.1	89%	0.887	72%	0.717	S	S	*	*			trans	-59	134.7	173.6	-97.5	177.1	173.3	174.5	0	109.1	R225 Q229	R225-K227 PolarHBondContact O-N 2.86Å; K227-Q229 PolarHBondContact O-N 2.83Å
228	R	35.3	Very low	38.5	Very low	254 Å²	254	145.6 Å²	145.6	96%	0.958	70%	0.695	S	S	*	*			trans	-62.8	96.5	174.9	-69.3	178.2	177.8	167.4	-3.2	110.7	K226	K226-R228 PolarHBondContact O-N 2.81Å
229	Q	34.2	Very low	40.7	Very low	182 Å²	182	141.9 Å²	141.9	85%	0.85	68%	0.681	S	S	*	*			trans	-95.7	146.4	141.7	-70	-179.6	-14.5	0	0	106.7	K227	K227-Q229 PolarHBondContact O-N 2.83Å
230	A	29.2	Very low	43.1	Very low	89 Å²	89	138.4 Å²	138.4	74%	0.736	65%	0.652	S	S	*	*			trans	-61.9	137.7	179.2	0	0	0	0	0	109.6	R232	A230-R232 PolarHBondContact O-N 2.93Å
231	P	35.3	Very low	45.7	Very low	124 Å²	124	133.1 Å²	133.1	81%	0.805	63%	0.634	S	S	*	*			trans	-64.6	112.4	178	26.8	-32.6	0	0	0	108.7
232	R	34.8	Very low	48.4	Very low	238 Å²	238	127.4 Å²	127.4	90%	0.898	60%	0.599	S	S	*	*			trans	-75.4	124.8	150	-68.6	-178.2	179.2	173.7	-2.3	105.1	A230 S234	A230-R232 PolarHBondContact O-N 2.93Å; R232-S234 PolarHBondContact O-N 3.14Å
233	L	39.2	Very low	51.3	Low	124 Å²	124	123.2 Å²	123.2	65%	0.649	57%	0.571	S	S	*	*			trans	-82.7	67.5	-177.7	-162.1	85	0	0	0	109.2	R235	L233-R235 HydrophobicContact CG-CG 4.5Å; L233-R235 PolarHBondContact O-N 2.62Å
234	S	38.7	Very low	54.4	Low	66 Å²	66	115.1 Å²	115.1	46%	0.462	53%	0.534	S	S	.	.			trans	-75.9	114.4	155.1	55.1	0	0	0	0	106.6	R232 D508	R232-S234 PolarHBondContact O-N 3.14Å; S234-D508 WeakPolarHBondContact CB-OD2 3.35Å; S234-D508 PolarHBondContact OG-OD2 3.33Å
235	R	54.9	Low	57.4	Low	112 Å²	112	105.8 Å²	105.8	42%	0.423	50%	0.5	S	S	.	.			trans	-69.3	145	171.1	-72.2	-174.6	-176.5	156.2	8.5	107.5	L233 D239 E472	L233-R235 HydrophobicContact CG-CG 4.5Å; L233-R235 PolarHBondContact O-N 2.62Å; R235-D239 HydrophobicContact CB-CB 4.18Å; R235-E472 IonicContact NH2-OE2 2.67Å; R235-E472 PolarHBondContact NH2-OE2 2.87Å
236	S	61.3	Low	60.5	Low	46 Å²	46	94 Å²	94	32%	0.322	46%	0.455	S	S	.	.			trans	-66.5	152.7	170.3	-171.4	0	0	0	0	108.5	E238 D239	S236-E238 PolarHBondContact O-N 3.2Å; S236-E238 PolarHBondContact OG-N 3.09Å; S236-D239 WeakPolarHBondContact CB-OD2 3.29Å; S236-D239 PolarHBondContact N-OD2 2.81Å; S236-D239 PolarHBondContact O-N 2.85Å
237	V	70.6	Confident	63.3	Low	11 Å²	11	84.3 Å²	84.3	7%	0.067	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.4	170.4	176.4	0	0	0	0	111.1	K242 L429 F438 V510	V237-K242 WeakPolarHBondContact O-CE 3.16Å; V237-K242 PolarHBondContact O-NZ 3.28Å; V237-L429 HydrophobicContact CG1-CB 4.1Å; V237-L429 HydrophobicContact CG1-CD1 4.49Å; V237-F438 HydrophobicContact CG1-CE1 3.85Å; V237-F438 HydrophobicContact CG1-CZ 3.48Å; V237-F438 VanDerWaalsContact CG1-CZ 3.48Å; V237-V510 HydrophobicContact CB-CG1 4.41Å; V237-V510 HydrophobicContact CG2-CG1 3.53Å
238	E	74.5	Confident	66.3	Low	65 Å²	65	74.6 Å²	74.6	30%	0.304	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-38	173.2	-60.6	171.8	-149.5	0	0	113.1	S236 K242 H426 N430	S236-E238 PolarHBondContact O-N 3.2Å; S236-E238 PolarHBondContact OG-N 3.09Å; E238-K242 PolarHBondContact O-NZ 3.09Å; E238-H426 HydrophobicContact CG-CB 4.09Å; E238-H426 WeakPolarHBondContact CG-ND1 3.39Å; E238-H426 IonicContact OE2-CE1 3.01Å; E238-H426 IonicContact OE2-CG 3.8Å; E238-H426 IonicContact OE2-ND1 2.81Å; E238-H426 PolarHBondContact OE2-ND1 3.43Å; E238-N430 PolarHBondContact OE1-ND2 2.95Å
239	D	75.8	Confident	69.2	Low	102 Å²	102	62.5 Å²	62.5	55%	0.545	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.4	-173.6	-59.9	-50.6	0	0	0	113.6	R235 S236 N285	R235-D239 HydrophobicContact CB-CB 4.18Å; S236-D239 WeakPolarHBondContact CB-OD2 3.29Å; S236-D239 PolarHBondContact N-OD2 2.81Å; S236-D239 PolarHBondContact O-N 2.85Å; D239-N285 PolarHBondContact O-ND2 2.83Å
240	E	79.6	Confident	72.1	Confident	40 Å²	40	53.9 Å²	53.9	19%	0.187	29%	0.285	C	S	.	.	S	Bend	trans	-72.5	147.7	178.8	-64.3	-175.3	176.5	0	0	111.3	K242 N285 F438	E240-K242 WeakPolarHBondContact O-CD 3.26Å; E240-K242 WeakPolarHBondContact O-CE 3.44Å; E240-K242 PolarHBondContact O-NZ 2.86Å; E240-N285 PolarHBondContact O-ND2 2.59Å; E240-F438 WeakPolarHBondContact OE2-CD1 3.43Å
241	T	82.1	Confident	75.3	Confident	51 Å²	51	49.7 Å²	49.7	31%	0.313	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-82.4	132.9	174	-58.2	0	0	0	0	110.1	Y243 N285 Q287	T241-Y243 HydrophobicContact CG2-CE2 4.41Å; T241-N285 WeakPolarHBondContact CA-O 3.42Å; T241-N285 WeakPolarHBondContact CB-OD1 3.18Å; T241-N285 PolarHBondContact OG1-OD1 3.41Å; T241-Q287 HydrophobicContact CG2-CG 4.27Å
242	K	88.5	Confident	78.1	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	157.7	-178.2	-71.4	70.1	162.1	-169.6	0	110.7	V237 E238 E240 N285 T286 Q287 Y425 L429 L437 F438	V237-K242 WeakPolarHBondContact O-CE 3.16Å; V237-K242 PolarHBondContact O-NZ 3.28Å; E238-K242 PolarHBondContact O-NZ 3.09Å; E240-K242 WeakPolarHBondContact O-CD 3.26Å; E240-K242 WeakPolarHBondContact O-CE 3.44Å; E240-K242 PolarHBondContact O-NZ 2.86Å; K242-N285 PolarHBondContact N-O 3.46Å; K242-T286 HydrophobicContact CB-CG2 3.98Å; K242-T286 CarbonylContact O-C 3.46Å; K242-T286 WeakPolarHBondContact O-CA 3.16Å; K242-Q287 PolarHBondContact O-N 3.48Å; K242-Y425 WeakPolarHBondContact CG-OH 3.36Å; K242-L429 VanDerWaalsContact CE-CD1 3.47Å; K242-L437 CarbonylContact C-O 3.48Å; K242-L437 VanDerWaalsContact CA-O 3.29Å; K242-L437 WeakPolarHBondContact CA-O 3.49Å; K242-L437 HydrophobicContact CB-CB 4.07Å; K242-L437 HydrophobicContact CG-CB 4.15Å; K242-F438 HydrophobicContact CD-CE1 4.5Å; K242-F438 HydrophobicContact CG-CE1 4.35Å; K242-F438 HydrophobicContact CG-CZ 4.36Å
243	Y	89.2	Confident	80.8	Confident	25 Å²	25	35.5 Å²	35.5	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.7	179.6	-58.8	-85.4	0	0	0	109.2	T241 Q287 V289 L437 K440	T241-Y243 HydrophobicContact CG2-CE2 4.41Å; Y243-Q287 CarbonylContact C-O 3.56Å; Y243-Q287 WeakPolarHBondContact CA-O 3.36Å; Y243-Q287 HydrophobicContact CD1-CB 4Å; Y243-Q287 HydrophobicContact CE1-CB 4.23Å; Y243-Q287 HydrophobicContact CE1-CG 4.31Å; Y243-V289 HydrophobicContact CD1-CG2 4.28Å; Y243-L437 PolarHBondContact N-O 3.21Å; Y243-L437 VanDerWaalsContact O-CA 3.26Å; Y243-L437 WeakPolarHBondContact O-CA 3.31Å; Y243-L437 VanDerWaalsContact O-CD2 3.23Å; Y243-L437 WeakPolarHBondContact O-CD2 3.46Å; Y243-K440 HydrophobicContact CD1-CG 4.49Å; Y243-K440 HydrophobicContact CD2-CB 4.02Å; Y243-K440 HydrophobicContact CD2-CG 4.5Å; Y243-K440 HydrophobicContact CE1-CB 4.46Å; Y243-K440 HydrophobicContact CE1-CD 4.47Å; Y243-K440 HydrophobicContact CE1-CG 3.91Å; Y243-K440 HydrophobicContact CE2-CB 3.64Å; Y243-K440 HydrophobicContact CE2-CD 4.41Å; Y243-K440 HydrophobicContact CE2-CG 3.92Å
244	I	93.5	Very high	83.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.5	173.4	-61.2	168.6	0	0	0	107.7	L246 F280 T286 Q287 I288 V289 L377 I381 L437	I244-L246 PolarHBondContact O-N 2.9Å; I244-F280 HydrophobicContact CD1-CD1 3.93Å; I244-F280 HydrophobicContact CD1-CE1 3.83Å; I244-T286 HydrophobicContact CD1-CG2 3.69Å; I244-T286 HydrophobicContact CG1-CG2 3.84Å; I244-Q287 PolarHBondContact N-O 3.25Å; I244-I288 HydrophobicContact CD1-CG1 4.33Å; I244-V289 PolarHBondContact O-N 2.89Å; I244-L377 HydrophobicContact CG2-CD2 4.13Å; I244-I381 HydrophobicContact CD1-CG2 4.07Å; I244-L437 HydrophobicContact CB-CD2 4.37Å; I244-L437 HydrophobicContact CG1-CD2 3.78Å
245	E	92	Very high	86	Confident	37 Å²	37	28.1 Å²	28.1	17%	0.173	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	93.2	171	-66.6	-167.4	153.9	0	0	110	V291 C327 D328 S329 P441	E245-V291 HydrophobicContact CB-CG1 3.72Å; E245-V291 HydrophobicContact CB-CG2 4.24Å; E245-V291 HydrophobicContact CG-CG1 3.89Å; E245-C327 CarbonylContact O-C 3.6Å; E245-D328 HydrophobicContact CB-CB 4.38Å; E245-D328 WeakPolarHBondContact CB-OD2 3.39Å; E245-D328 PolarHBondContact N-OD2 3.47Å; E245-D328 PolarHBondContact O-N 3.1Å; E245-S329 PolarHBondContact O-N 3.31Å; E245-P441 HydrophobicContact CG-CG 3.88Å
246	L	94.5	Very high	87.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.6	-175.2	179	62.7	0	0	0	112	I244 V248 V273 I288 V289 L290 V291 H331 L373 L377	I244-L246 PolarHBondContact O-N 2.9Å; L246-V248 HydrophobicContact CD2-CG2 3.96Å; L246-V248 HydrophobicContact CG-CG2 4.08Å; L246-V273 HydrophobicContact CD2-CG1 4.22Å; L246-V273 HydrophobicContact CD2-CG2 3.97Å; L246-I288 HydrophobicContact CB-CG2 3.93Å; L246-I288 HydrophobicContact CD2-CG2 3.64Å; L246-I288 HydrophobicContact CG-CG2 4.43Å; L246-V289 PolarHBondContact N-O 3.24Å; L246-L290 HydrophobicContact CG-CD1 4.36Å; L246-L290 WeakPolarHBondContact O-CA 3.36Å; L246-V291 WeakPolarHBondContact O-CG2 3.3Å; L246-V291 PolarHBondContact O-N 3.03Å; L246-H331 HydrophobicContact CD1-CB 4.29Å; L246-H331 VanDerWaalsContact CD1-CD2 3.42Å; L246-H331 WeakPolarHBondContact CD1-CD2 3.39Å; L246-L373 HydrophobicContact CD2-CD1 4.4Å; L246-L373 HydrophobicContact CD2-CD2 4.42Å; L246-L377 HydrophobicContact CD1-CD2 4.45Å; L246-L377 HydrophobicContact CD2-CD1 4.47Å
247	M	94.1	Very high	89.3	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.6	161	172.4	-177.5	177.4	0	0	111	R120 I249 A292 E294 I323 C327 S329 V330 H331	R120-M247 VanDerWaalsContact NH2-CE 3.32Å; M247-I249 HydrophobicContact CE-CD1 3.89Å; M247-I249 HydrophobicContact CE-CG1 3.88Å; M247-A292 WeakPolarHBondContact CA-O 3.21Å; M247-A292 HydrophobicContact CB-CB 4.28Å; M247-A292 HydrophobicContact CG-CB 3.89Å; M247-A292 HydrophobicContact SD-CB 4.12Å; M247-E294 HydrophobicContact CE-CB 4.19Å; M247-I323 HydrophobicContact CE-CD1 4.11Å; M247-I323 HydrophobicContact CE-CG1 4.48Å; M247-I323 HydrophobicContact CE-CG2 4.34Å; M247-I323 HydrophobicContact SD-CD1 4.19Å; M247-I323 HydrophobicContact SD-CG2 3.73Å; M247-C327 HydrophobicContact CB-CB 4.11Å; M247-C327 VanDerWaalsContact CB-SG 3.59Å; M247-S329 PolarHBondContact N-O 2.93Å; M247-V330 HydrophobicContact CB-CG1 4.16Å; M247-V330 HydrophobicContact CB-CG2 4.22Å; M247-V330 HydrophobicContact CG-CG1 4.07Å; M247-V330 CarbonylContact O-C 3.47Å; M247-V330 VanDerWaalsContact O-CA 3.32Å; M247-V330 WeakPolarHBondContact O-CA 3.22Å; M247-V330 HydrophobicContact SD-CG1 4.22Å; M247-H331 PolarHBondContact O-N 2.79Å
248	V	95.5	Very high	90.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136	178.2	175.6	0	0	0	0	110.5	L246 A269 V273 L290 A292 M293 E294 F333	L246-V248 HydrophobicContact CD2-CG2 3.96Å; L246-V248 HydrophobicContact CG-CG2 4.08Å; V248-A269 HydrophobicContact CG1-CB 4.27Å; V248-V273 HydrophobicContact CG2-CG2 4.08Å; V248-L290 HydrophobicContact CB-CD1 4.28Å; V248-L290 HydrophobicContact CG2-CD1 3.75Å; V248-A292 PolarHBondContact N-O 3.23Å; V248-M293 HydrophobicContact CB-CE 4.48Å; V248-M293 HydrophobicContact CB-CG 4.37Å; V248-M293 VanDerWaalsContact O-CA 3.29Å; V248-M293 WeakPolarHBondContact O-CA 3.19Å; V248-M293 WeakPolarHBondContact O-CG 3.3Å; V248-E294 PolarHBondContact O-N 2.75Å; V248-F333 HydrophobicContact CG1-CD1 4.44Å; V248-F333 HydrophobicContact CG1-CD2 3.49Å; V248-F333 VanDerWaalsContact CG1-CD2 3.49Å; V248-F333 HydrophobicContact CG1-CE2 3.66Å; V248-F333 HydrophobicContact CG1-CG 3.92Å; V248-F333 HydrophobicContact CG1-CZ 4.22Å; V248-F333 HydrophobicContact CG2-CE2 4.5Å; V248-F333 HydrophobicContact CG2-CZ 4.47Å
249	I	95.4	Very high	90.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.9	173	-62.7	-177.2	0	0	0	108.8	M247 E294 W296 F315 Y318 I323 V330 H331 L332 F333	M247-I249 HydrophobicContact CE-CD1 3.89Å; M247-I249 HydrophobicContact CE-CG1 3.88Å; I249-E294 CarbonylContact C-O 3.57Å; I249-E294 WeakPolarHBondContact CA-O 3.11Å; I249-E294 HydrophobicContact CG1-CB 4.33Å; I249-W296 HydrophobicContact CG2-CD2 4.22Å; I249-W296 HydrophobicContact CG2-CH2 4.21Å; I249-W296 HydrophobicContact CG2-CZ2 3.64Å; I249-F315 HydrophobicContact CB-CE2 4.21Å; I249-F315 HydrophobicContact CB-CZ 4.38Å; I249-F315 HydrophobicContact CD1-CE2 3.77Å; I249-F315 HydrophobicContact CD1-CZ 4.03Å; I249-F315 HydrophobicContact CG1-CE2 4.42Å; I249-F315 HydrophobicContact CG1-CZ 4.46Å; I249-F315 HydrophobicContact CG2-CE2 4.5Å; I249-Y318 HydrophobicContact CD1-CE1 4.01Å; I249-I323 HydrophobicContact CD1-CD1 3.55Å; I249-V330 HydrophobicContact CD1-CG1 4.11Å; I249-V330 HydrophobicContact CG1-CG1 4.36Å; I249-H331 PolarHBondContact N-O 3.04Å; I249-L332 HydrophobicContact CB-CD1 4.17Å; I249-L332 HydrophobicContact CG2-CD1 3.85Å; I249-F333 PolarHBondContact O-N 2.63Å
250	N	96	Very high	91.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.6	172.8	-56.4	-63.9	0	0	0	109.2	M254 M293 E294 T295 W296	N250-M254 HydrophobicContact CB-CB 4.35Å; N250-M254 HydrophobicContact CB-CG 4.07Å; N250-M293 PolarHBondContact ND2-SD 2.95Å; N250-E294 PolarHBondContact N-O 2.96Å; N250-T295 HydrophobicContact CB-CG2 4.2Å; N250-T295 PolarHBondContact ND2-OG1 2.93Å; N250-W296 PolarHBondContact O-N 3.38Å
251	D	95	Very high	92	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.			trans	-73.1	173.3	177.4	102.9	-62.2	0	0	0	112.8	V253 M254 Y255 W296 N300 I304 L332 F333 G335	D251-V253 VanDerWaalsContact C-N 3.3Å; D251-V253 VanDerWaalsContact CG-N 3.27Å; D251-V253 PolarHBondContact O-N 2.95Å; D251-V253 PolarHBondContact OD1-N 3.32Å; D251-V253 WeakPolarHBondContact OD2-CB 3.36Å; D251-V253 WeakPolarHBondContact OD2-CG2 3.44Å; D251-V253 PolarHBondContact OD2-N 2.86Å; D251-M254 WeakPolarHBondContact O-CB 3.32Å; D251-M254 PolarHBondContact O-N 3.5Å; D251-M254 WeakPolarHBondContact OD1-CB 2.99Å; D251-M254 PolarHBondContact OD1-N 3.2Å; D251-Y255 PolarHBondContact O-N 3.18Å; D251-W296 HydrophobicContact CB-CE3 3.95Å; D251-W296 HydrophobicContact CB-CZ3 4.18Å; D251-N300 PolarHBondContact OD2-ND2 2.85Å; D251-N300 VanDerWaalsContact OD2-ND2 3.16Å; D251-N300 PolarHBondContact OD2-OD1 3.02Å; D251-I304 HydrophobicContact CB-CD1 3.68Å; D251-I304 VanDerWaalsContact OD2-CD1 3.3Å; D251-I304 WeakPolarHBondContact OD2-CD1 3.03Å; D251-L332 HydrophobicContact CB-CD1 4.3Å; D251-F333 PolarHBondContact N-O 3.26Å; D251-F333 VanDerWaalsContact N-O 3.08Å; D251-G335 PolarHBondContact OD1-N 2.82Å
252	H	94	Very high	92.2	Very high	29 Å²	29	38 Å²	38	13%	0.134	17%	0.173	C	C	.	.	H	α-helix	trans	-68.5	-26.7	-179.7	-171.8	63.1	0	0	0	113.4	K256 W296 S297 V298 N300	H252-K256 PolarHBondContact CD2-NZ 3.47Å; H252-K256 VanDerWaalsContact CD2-NZ 3.29Å; H252-K256 WeakPolarHBondContact NE2-CE 3.08Å; H252-K256 PolarHBondContact NE2-NZ 2.66Å; H252-K256 VanDerWaalsContact NE2-NZ 3.1Å; H252-K256 WeakPolarHBondContact O-CG 3.33Å; H252-K256 PolarHBondContact O-N 3.05Å; H252-K256 VanDerWaalsContact O-N 3.1Å; H252-W296 VanDerWaalsContact CA-O 3.29Å; H252-W296 WeakPolarHBondContact CA-O 3.5Å; H252-W296 HydrophobicContact CB-CB 4.46Å; H252-W296 WeakPolarHBondContact CB-O 3.35Å; H252-W296 PolarHBondContact ND1-O 2.8Å; H252-S297 PolarHBondContact CE1-O 2.89Å; H252-S297 VanDerWaalsContact CE1-O 3.28Å; H252-S297 PolarHBondContact ND1-O 2.78Å; H252-V298 PolarHBondContact CE1-O 2.82Å; H252-V298 PolarHBondContact ND1-O 2.87Å; H252-V298 PolarHBondContact NE2-O 2.76Å; H252-N300 WeakPolarHBondContact CB-OD1 3.05Å; H252-N300 PolarHBondContact N-OD1 3.24Å
253	V	93.5	Very high	92.1	Very high	35 Å²	35	39.7 Å²	39.7	21%	0.212	19%	0.191	C	C	.	.	H	α-helix	trans	-74.4	-39.8	173.4	-172.5	0	0	0	0	110.5	D251 Y255 K256 K257	D251-V253 VanDerWaalsContact C-N 3.3Å; D251-V253 VanDerWaalsContact CG-N 3.27Å; D251-V253 PolarHBondContact O-N 2.95Å; D251-V253 PolarHBondContact OD1-N 3.32Å; D251-V253 WeakPolarHBondContact OD2-CB 3.36Å; D251-V253 WeakPolarHBondContact OD2-CG2 3.44Å; D251-V253 PolarHBondContact OD2-N 2.86Å; V253-Y255 VanDerWaalsContact C-N 3.27Å; V253-Y255 PolarHBondContact O-N 2.99Å; V253-K256 WeakPolarHBondContact O-CA 3.48Å; V253-K256 WeakPolarHBondContact O-CB 3.34Å; V253-K256 PolarHBondContact O-N 2.91Å; V253-K257 WeakPolarHBondContact O-CG 2.99Å; V253-K257 PolarHBondContact O-N 3.01Å
254	M	93.7	Very high	92	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-40.5	171.8	-173.6	59.5	67.6	0	0	111.2	N250 D251 K257 H258 T265 F333 S334 Y363 M369	N250-M254 HydrophobicContact CB-CB 4.35Å; N250-M254 HydrophobicContact CB-CG 4.07Å; D251-M254 WeakPolarHBondContact O-CB 3.32Å; D251-M254 PolarHBondContact O-N 3.5Å; D251-M254 WeakPolarHBondContact OD1-CB 2.99Å; D251-M254 PolarHBondContact OD1-N 3.2Å; M254-K257 PolarHBondContact O-N 2.81Å; M254-H258 PolarHBondContact O-N 2.98Å; M254-H258 PolarHBondContact O-ND1 3.04Å; M254-H258 PolarHBondContact SD-CE1 3.04Å; M254-T265 HydrophobicContact CG-CG2 4.35Å; M254-T265 WeakPolarHBondContact O-CG2 3.47Å; M254-F333 HydrophobicContact CE-CB 4.15Å; M254-S334 WeakPolarHBondContact CE-O 3.36Å; M254-Y363 HydrophobicContact CE-CD2 3.73Å; M254-Y363 HydrophobicContact SD-CD2 3.87Å; M254-Y363 HydrophobicContact SD-CE2 4.27Å; M254-M369 HydrophobicContact CE-SD 4Å
255	Y	93.4	Very high	91.9	Very high	35 Å²	35	42.5 Å²	42.5	14%	0.137	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-41.6	171.3	-179.7	-112.7	0	0	0	113.4	D251 V253 H258 L260 V262 T265 T295 S297	D251-Y255 PolarHBondContact O-N 3.18Å; V253-Y255 VanDerWaalsContact C-N 3.27Å; V253-Y255 PolarHBondContact O-N 2.99Å; Y255-H258 CarbonylContact O-C 3.5Å; Y255-H258 PolarHBondContact O-N 3.37Å; Y255-L260 HydrophobicContact CD1-CD2 3.73Å; Y255-L260 HydrophobicContact CE1-CB 3.98Å; Y255-L260 HydrophobicContact CE1-CD2 3.61Å; Y255-L260 HydrophobicContact CE1-CG 4.43Å; Y255-L260 VanDerWaalsContact CZ-C 3.46Å; Y255-L260 WeakPolarHBondContact O-CA 3.39Å; Y255-L260 PolarHBondContact O-N 2.04Å; Y255-L260 PolarHBondContact OH-O 2.98Å; Y255-L260 VanDerWaalsContact OH-O 3.04Å; Y255-V262 HydrophobicContact CD2-CG2 4.45Å; Y255-V262 HydrophobicContact CE2-CG2 3.71Å; Y255-T265 HydrophobicContact CD2-CG2 4.41Å; Y255-T295 HydrophobicContact CD2-CG2 3.92Å; Y255-T295 HydrophobicContact CG-CG2 4.45Å; Y255-S297 WeakPolarHBondContact CE1-O 3.36Å
256	K	92.3	Very high	91.8	Very high	112 Å²	112	40.8 Å²	40.8	49%	0.487	20%	0.196	S	C	.	.	H	α-helix	trans	-64.6	-43.7	173.6	-76.2	168.1	176.9	164.6	0	112.8	H252 V253 H258 R259 L260	H252-K256 PolarHBondContact CD2-NZ 3.47Å; H252-K256 VanDerWaalsContact CD2-NZ 3.29Å; H252-K256 WeakPolarHBondContact NE2-CE 3.08Å; H252-K256 PolarHBondContact NE2-NZ 2.66Å; H252-K256 VanDerWaalsContact NE2-NZ 3.1Å; H252-K256 WeakPolarHBondContact O-CG 3.33Å; H252-K256 PolarHBondContact O-N 3.05Å; H252-K256 VanDerWaalsContact O-N 3.1Å; V253-K256 WeakPolarHBondContact O-CA 3.48Å; V253-K256 WeakPolarHBondContact O-CB 3.34Å; V253-K256 PolarHBondContact O-N 2.91Å; K256-H258 PolarHBondContact O-N 2.83Å; K256-R259 PolarHBondContact O-N 2.78Å; K256-L260 HydrophobicContact CB-CD2 4.49Å; K256-L260 HydrophobicContact CG-CD2 3.77Å
257	K	91.3	Very high	91.5	Very high	107 Å²	107	41.3 Å²	41.3	47%	0.465	20%	0.2	S	C	.	.	H	α-helix	trans	-56.9	-37.6	177.6	-65.7	-78	-174.8	171.6	0	111.5	V253 M254 R259 G335 Y363	V253-K257 WeakPolarHBondContact O-CG 2.99Å; V253-K257 PolarHBondContact O-N 3.01Å; M254-K257 PolarHBondContact O-N 2.81Å; K257-R259 VanDerWaalsContact C-N 3.28Å; K257-R259 PolarHBondContact O-N 2.97Å; K257-G335 VanDerWaalsContact CE-O 3.26Å; K257-G335 WeakPolarHBondContact CE-O 2.95Å; K257-Y363 HydrophobicContact CB-CD2 4.27Å; K257-Y363 HydrophobicContact CB-CE2 3.74Å; K257-Y363 HydrophobicContact CD-CD1 4.38Å; K257-Y363 HydrophobicContact CD-CD2 4.29Å; K257-Y363 HydrophobicContact CD-CE1 4.16Å; K257-Y363 HydrophobicContact CD-CE2 4.05Å; K257-Y363 HydrophobicContact CD-CG 4.46Å; K257-Y363 HydrophobicContact CG-CD2 3.92Å; K257-Y363 HydrophobicContact CG-CE2 3.8Å; K257-Y363 HydrophobicContact CG-CG 4.46Å
258	H	90	Very high	91.3	Very high	28 Å²	28	42.2 Å²	42.2	13%	0.13	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	40.3	178.2	-64.4	81.8	0	0	0	113.5	M254 Y255 K256 L260 S261 H264 T265 N268	M254-H258 PolarHBondContact O-N 2.98Å; M254-H258 PolarHBondContact O-ND1 3.04Å; M254-H258 PolarHBondContact SD-CE1 3.04Å; Y255-H258 CarbonylContact O-C 3.5Å; Y255-H258 PolarHBondContact O-N 3.37Å; K256-H258 PolarHBondContact O-N 2.83Å; H258-L260 VanDerWaalsContact C-N 3.25Å; H258-L260 PolarHBondContact O-N 2.83Å; H258-L260 VanDerWaalsContact O-N 3.16Å; H258-S261 PolarHBondContact O-N 3Å; H258-S261 VanDerWaalsContact O-N 3.11Å; H258-H264 HydrophobicContact CB-CB 4.14Å; H258-T265 HydrophobicContact CB-CG2 3.61Å; H258-N268 WeakPolarHBondContact NE2-CB 3.45Å; H258-N268 VanDerWaalsContact NE2-CG 3.29Å; H258-N268 PolarHBondContact NE2-ND2 3.4Å
259	R	89.9	Confident	91.1	Very high	223 Å²	223	42.2 Å²	42.2	84%	0.842	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	34.5	172.3	-54.2	-179.7	179.6	179.5	-0.2	114.3	K256 K257 S261	K256-R259 PolarHBondContact O-N 2.78Å; K257-R259 VanDerWaalsContact C-N 3.28Å; K257-R259 PolarHBondContact O-N 2.97Å; R259-S261 VanDerWaalsContact C-N 3.26Å; R259-S261 PolarHBondContact O-N 3.29Å
260	L	89.1	Confident	90.9	Very high	102 Å²	102	42.2 Å²	42.2	53%	0.534	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	37.9	-178.6	-54.2	170.7	0	0	0	112.8	Y255 K256 H258	Y255-L260 HydrophobicContact CD1-CD2 3.73Å; Y255-L260 HydrophobicContact CE1-CB 3.98Å; Y255-L260 HydrophobicContact CE1-CD2 3.61Å; Y255-L260 HydrophobicContact CE1-CG 4.43Å; Y255-L260 VanDerWaalsContact CZ-C 3.46Å; Y255-L260 WeakPolarHBondContact O-CA 3.39Å; Y255-L260 PolarHBondContact O-N 2.04Å; Y255-L260 PolarHBondContact OH-O 2.98Å; Y255-L260 VanDerWaalsContact OH-O 3.04Å; K256-L260 HydrophobicContact CB-CD2 4.49Å; K256-L260 HydrophobicContact CG-CD2 3.77Å; H258-L260 VanDerWaalsContact C-N 3.25Å; H258-L260 PolarHBondContact O-N 2.83Å; H258-L260 VanDerWaalsContact O-N 3.16Å
261	S	89.1	Confident	90.7	Very high	37 Å²	37	42.3 Å²	42.3	26%	0.259	21%	0.205	S	C	.	.			trans	-120.4	119.7	179.8	-174.7	0	0	0	0	111.8	H258 R259 G263 H264 T265	H258-S261 PolarHBondContact O-N 3Å; H258-S261 VanDerWaalsContact O-N 3.11Å; R259-S261 VanDerWaalsContact C-N 3.26Å; R259-S261 PolarHBondContact O-N 3.29Å; S261-G263 VanDerWaalsContact C-N 3.3Å; S261-G263 PolarHBondContact O-N 2.89Å; S261-H264 VanDerWaalsContact CB-ND1 3.31Å; S261-H264 WeakPolarHBondContact CB-ND1 3.38Å; S261-H264 PolarHBondContact O-N 2.81Å; S261-H264 PolarHBondContact OG-ND1 3.23Å; S261-T265 PolarHBondContact O-N 3.43Å; S261-T265 PolarHBondContact O-OG1 2.8Å
262	V	87.2	Confident	90.5	Very high	25 Å²	25	42.3 Å²	42.3	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-38.1	176.3	-177.3	0	0	0	0	110.7	H121 Y255 T265 N266	H121-V262 HydrophobicContact CB-CG1 4.18Å; H121-V262 HydrophobicContact CB-CG2 4.26Å; Y255-V262 HydrophobicContact CD2-CG2 4.45Å; Y255-V262 HydrophobicContact CE2-CG2 3.71Å; V262-T265 VanDerWaalsContact CA-OG1 3.28Å; V262-T265 WeakPolarHBondContact CA-OG1 3.49Å; V262-T265 PolarHBondContact O-OG1 2.79Å; V262-N266 VanDerWaalsContact O-CB 3.27Å; V262-N266 WeakPolarHBondContact O-CB 3.49Å; V262-N266 PolarHBondContact O-N 2.89Å; V262-N266 PolarHBondContact O-OD1 3.33Å
263	G	85.7	Confident	90.5	Very high	36 Å²	36	41 Å²	41	37%	0.371	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-43.5	176	0	0	0	0	0	113	S261 N267	S261-G263 VanDerWaalsContact C-N 3.3Å; S261-G263 PolarHBondContact O-N 2.89Å; G263-N267 WeakPolarHBondContact O-CB 3.41Å; G263-N267 VanDerWaalsContact O-CG 3.27Å; G263-N267 PolarHBondContact O-N 2.84Å
264	H	87.1	Confident	90.4	Very high	85 Å²	85	39.3 Å²	39.3	39%	0.394	19%	0.189	S	C	.	.	H	α-helix	trans	-71	-40.3	179.8	-68.2	79.5	0	0	0	112.5	H258 S261 N268	H258-H264 HydrophobicContact CB-CB 4.14Å; S261-H264 VanDerWaalsContact CB-ND1 3.31Å; S261-H264 WeakPolarHBondContact CB-ND1 3.38Å; S261-H264 PolarHBondContact O-N 2.81Å; S261-H264 PolarHBondContact OG-ND1 3.23Å; H264-N268 VanDerWaalsContact O-CB 3.28Å; H264-N268 WeakPolarHBondContact O-CB 3.43Å; H264-N268 PolarHBondContact O-N 3.26Å
265	T	90.5	Very high	90.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-53.1	173.1	30.7	0	0	0	0	111.3	M254 Y255 H258 S261 V262 N267 N268 A269 T295	M254-T265 HydrophobicContact CG-CG2 4.35Å; M254-T265 WeakPolarHBondContact O-CG2 3.47Å; Y255-T265 HydrophobicContact CD2-CG2 4.41Å; H258-T265 HydrophobicContact CB-CG2 3.61Å; S261-T265 PolarHBondContact O-N 3.43Å; S261-T265 PolarHBondContact O-OG1 2.8Å; V262-T265 VanDerWaalsContact CA-OG1 3.28Å; V262-T265 WeakPolarHBondContact CA-OG1 3.49Å; V262-T265 PolarHBondContact O-OG1 2.79Å; T265-N267 PolarHBondContact O-N 2.68Å; T265-N268 PolarHBondContact O-N 3.33Å; T265-A269 WeakPolarHBondContact O-CB 3.33Å; T265-A269 PolarHBondContact O-N 3.33Å; T265-T295 HydrophobicContact CG2-CG2 4.46Å
266	N	90.3	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-42.1	-176.6	-64.9	6.1	0	0	0	111.3	E119 V262 N268 A269 K270 M293 T295	E119-N266 PolarHBondContact OE2-ND2 3.34Å; V262-N266 VanDerWaalsContact O-CB 3.27Å; V262-N266 WeakPolarHBondContact O-CB 3.49Å; V262-N266 PolarHBondContact O-N 2.89Å; V262-N266 PolarHBondContact O-OD1 3.33Å; N266-N268 PolarHBondContact O-N 2.85Å; N266-A269 PolarHBondContact O-N 3.17Å; N266-K270 WeakPolarHBondContact O-CG 3.26Å; N266-K270 PolarHBondContact O-N 2.89Å; N266-M293 VanDerWaalsContact CA-SD 3.56Å; N266-M293 HydrophobicContact CB-SD 3.69Å; N266-T295 PolarHBondContact OD1-OG1 3.11Å
267	N	88.5	Confident	90.1	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.064	16%	0.16	C	C	.	.	H	α-helix	trans	-70.1	-32.1	179.5	-73.4	4.9	0	0	0	112.8	E135 Y138 C156 G263 T265 T271	E135-N267 PolarHBondContact OE2-ND2 3.25Å; Y138-N267 WeakPolarHBondContact OH-CA 3.34Å; Y138-N267 WeakPolarHBondContact OH-CB 3.17Å; Y138-N267 PolarHBondContact OH-O 3.4Å; C156-N267 PolarHBondContact SG-ND2 3Å; C156-N267 VanDerWaalsContact SG-ND2 3.43Å; G263-N267 WeakPolarHBondContact O-CB 3.41Å; G263-N267 VanDerWaalsContact O-CG 3.27Å; G263-N267 PolarHBondContact O-N 2.84Å; T265-N267 PolarHBondContact O-N 2.68Å; N267-T271 PolarHBondContact O-N 2.8Å; N267-T271 PolarHBondContact O-OG1 2.77Å
268	N	89.9	Confident	89.9	Confident	19 Å²	19	27.6 Å²	27.6	10%	0.102	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-50.7	170.9	-179.9	63.4	0	0	0	111	H258 H264 T265 N266 K270 T271 V272 M369	H258-N268 WeakPolarHBondContact NE2-CB 3.45Å; H258-N268 VanDerWaalsContact NE2-CG 3.29Å; H258-N268 PolarHBondContact NE2-ND2 3.4Å; H264-N268 VanDerWaalsContact O-CB 3.28Å; H264-N268 WeakPolarHBondContact O-CB 3.43Å; H264-N268 PolarHBondContact O-N 3.26Å; T265-N268 PolarHBondContact O-N 3.33Å; N266-N268 PolarHBondContact O-N 2.85Å; N268-K270 VanDerWaalsContact C-N 3.33Å; N268-K270 PolarHBondContact O-N 3.19Å; N268-T271 WeakPolarHBondContact O-CA 3.46Å; N268-T271 VanDerWaalsContact O-CB 3.32Å; N268-T271 WeakPolarHBondContact O-CB 3.1Å; N268-T271 PolarHBondContact O-N 3.09Å; N268-V272 WeakPolarHBondContact O-CG2 3.49Å; N268-V272 PolarHBondContact O-N 2.91Å; N268-M369 VanDerWaalsContact ND2-CE 3.35Å; N268-M369 WeakPolarHBondContact ND2-CE 3.34Å
269	A	92.4	Very high	89.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-40.7	179.5	0	0	0	0	0	112.8	V248 T265 N266 T271 V272 V273 M293 F333	V248-A269 HydrophobicContact CG1-CB 4.27Å; T265-A269 WeakPolarHBondContact O-CB 3.33Å; T265-A269 PolarHBondContact O-N 3.33Å; N266-A269 PolarHBondContact O-N 3.17Å; A269-T271 VanDerWaalsContact C-N 3.33Å; A269-T271 PolarHBondContact O-N 3.13Å; A269-V272 WeakPolarHBondContact O-CB 3.22Å; A269-V272 PolarHBondContact O-N 2.94Å; A269-V273 WeakPolarHBondContact O-CG2 3.38Å; A269-V273 PolarHBondContact O-N 3.02Å; A269-M293 HydrophobicContact CB-CE 3.63Å; A269-M293 HydrophobicContact CB-SD 4.01Å; A269-F333 HydrophobicContact CB-CD2 3.93Å; A269-F333 HydrophobicContact CB-CE2 3.85Å
270	K	90.7	Very high	89.8	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-35.2	171.2	-70.1	171.1	-170.3	163	0	113.1	Y117 E119 E135 Y138 N266 N268 V273 N274 L290 M293	Y117-K270 WeakPolarHBondContact OH-CE 3.38Å; E119-K270 WeakPolarHBondContact OE1-CE 3.16Å; E119-K270 IonicContact OE1-NZ 2.78Å; E119-K270 PolarHBondContact OE1-NZ 3.38Å; E135-K270 PolarHBondContact O-NZ 3.07Å; Y138-K270 HydrophobicContact CD1-CB 4.38Å; Y138-K270 HydrophobicContact CD2-CB 4.45Å; Y138-K270 HydrophobicContact CE1-CB 3.66Å; Y138-K270 HydrophobicContact CE2-CB 3.77Å; Y138-K270 HydrophobicContact CE2-CD 3.53Å; Y138-K270 HydrophobicContact CE2-CG 4.29Å; Y138-K270 WeakPolarHBondContact OH-CB 3.29Å; Y138-K270 WeakPolarHBondContact OH-CD 3.32Å; N266-K270 WeakPolarHBondContact O-CG 3.26Å; N266-K270 PolarHBondContact O-N 2.89Å; N268-K270 VanDerWaalsContact C-N 3.33Å; N268-K270 PolarHBondContact O-N 3.19Å; K270-V273 PolarHBondContact O-N 3.14Å; K270-N274 WeakPolarHBondContact O-CB 3.45Å; K270-N274 PolarHBondContact O-N 3.47Å; K270-L290 HydrophobicContact CG-CD2 4.09Å; K270-M293 HydrophobicContact CG-CE 3.88Å
271	T	90.4	Very high	89.7	Confident	3 Å²	3	16.3 Å²	16.3	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-64.9	-44.3	175.7	-49.6	0	0	0	0	110.5	Y138 S154 N267 N268 A269 V273 N274 I275 T366	Y138-T271 WeakPolarHBondContact CE1-OG1 3.48Å; S154-T271 PolarHBondContact OG-OG1 3.49Å; N267-T271 PolarHBondContact O-N 2.8Å; N267-T271 PolarHBondContact O-OG1 2.77Å; N268-T271 WeakPolarHBondContact O-CA 3.46Å; N268-T271 VanDerWaalsContact O-CB 3.32Å; N268-T271 WeakPolarHBondContact O-CB 3.1Å; N268-T271 PolarHBondContact O-N 3.09Å; A269-T271 VanDerWaalsContact C-N 3.33Å; A269-T271 PolarHBondContact O-N 3.13Å; T271-V273 VanDerWaalsContact C-N 3.33Å; T271-V273 PolarHBondContact O-N 3.46Å; T271-N274 PolarHBondContact O-N 3.47Å; T271-I275 HydrophobicContact CG2-CD1 3.99Å; T271-I275 WeakPolarHBondContact O-CD1 3.49Å; T271-I275 VanDerWaalsContact O-CG1 3.31Å; T271-I275 WeakPolarHBondContact O-CG1 3.19Å; T271-I275 PolarHBondContact O-N 3.47Å; T271-I275 VanDerWaalsContact O-N 3.12Å; T271-T366 HydrophobicContact CG2-CG2 3.89Å
272	V	92.6	Very high	89.5	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.1	-47.8	173.9	173.1	0	0	0	0	111	N268 A269 I275 A276 F333 T366 M369 A370 L373	N268-V272 WeakPolarHBondContact O-CG2 3.49Å; N268-V272 PolarHBondContact O-N 2.91Å; A269-V272 WeakPolarHBondContact O-CB 3.22Å; A269-V272 PolarHBondContact O-N 2.94Å; V272-I275 PolarHBondContact O-N 3.44Å; V272-A276 PolarHBondContact O-N 3.44Å; V272-A276 VanDerWaalsContact O-N 3.1Å; V272-F333 HydrophobicContact CB-CE2 4.23Å; V272-F333 HydrophobicContact CB-CZ 4.33Å; V272-F333 HydrophobicContact CG1-CE2 4.01Å; V272-F333 HydrophobicContact CG1-CZ 3.64Å; V272-T366 HydrophobicContact CG2-CG2 3.77Å; V272-M369 HydrophobicContact CG1-CB 3.94Å; V272-M369 WeakPolarHBondContact CG1-O 3.21Å; V272-M369 HydrophobicContact CG2-CB 3.85Å; V272-M369 HydrophobicContact CG2-CE 4.04Å; V272-A370 HydrophobicContact CG1-CB 4.29Å; V272-L373 HydrophobicContact CG1-CB 4.34Å; V272-L373 HydrophobicContact CG1-CD2 4.1Å
273	V	93.5	Very high	89.5	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-41.8	178.4	179.8	0	0	0	0	111.9	L112 L246 V248 A269 K270 T271 I275 A276 D277 I288 L373	L112-V273 HydrophobicContact CD1-CB 4.36Å; L112-V273 HydrophobicContact CD1-CG1 3.79Å; L246-V273 HydrophobicContact CD2-CG1 4.22Å; L246-V273 HydrophobicContact CD2-CG2 3.97Å; V248-V273 HydrophobicContact CG2-CG2 4.08Å; A269-V273 WeakPolarHBondContact O-CG2 3.38Å; A269-V273 PolarHBondContact O-N 3.02Å; K270-V273 PolarHBondContact O-N 3.14Å; T271-V273 VanDerWaalsContact C-N 3.33Å; T271-V273 PolarHBondContact O-N 3.46Å; V273-I275 VanDerWaalsContact C-N 3.26Å; V273-I275 PolarHBondContact O-N 3.33Å; V273-A276 PolarHBondContact O-N 3.08Å; V273-D277 WeakPolarHBondContact O-CB 3.45Å; V273-D277 PolarHBondContact O-N 3.26Å; V273-I288 HydrophobicContact CG1-CB 4.47Å; V273-I288 HydrophobicContact CG1-CG2 3.78Å; V273-L373 HydrophobicContact CB-CD2 4.5Å; V273-L373 HydrophobicContact CG2-CD2 3.88Å
274	N	91.4	Very high	89.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61	-33.9	177.9	-172.2	48.7	0	0	0	113.2	N109 L112 Y138 Y139 Q140 L153 K270 T271 M278	N109-N274 PolarHBondContact ND2-OD1 2.74Å; L112-N274 HydrophobicContact CD1-CB 4.24Å; L112-N274 HydrophobicContact CD2-CB 3.89Å; Y138-N274 HydrophobicContact CD1-CB 4.3Å; Y139-N274 PolarHBondContact O-ND2 2.04Å; Q140-N274 PolarHBondContact NE2-O 3.15Å; Q140-N274 PolarHBondContact NE2-OD1 3.02Å; L153-N274 PolarHBondContact O-ND2 3.46Å; K270-N274 WeakPolarHBondContact O-CB 3.45Å; K270-N274 PolarHBondContact O-N 3.47Å; T271-N274 PolarHBondContact O-N 3.47Å; N274-M278 PolarHBondContact O-N 3.11Å
275	I	89.2	Confident	89.6	Confident	3 Å²	3	17 Å²	17	2%	0.015	8%	0.078	C	C	.	.	H	α-helix	trans	-72.7	-44.5	176.2	-66.1	163	0	0	0	110.4	A152 M162 T271 V272 V273 M278 I279 T366 A370	A152-I275 HydrophobicContact CB-CG1 4.39Å; M162-I275 HydrophobicContact CE-CG2 3.78Å; M162-I275 HydrophobicContact CG-CG2 4.06Å; M162-I275 HydrophobicContact SD-CG2 3.77Å; T271-I275 HydrophobicContact CG2-CD1 3.99Å; T271-I275 WeakPolarHBondContact O-CD1 3.49Å; T271-I275 VanDerWaalsContact O-CG1 3.31Å; T271-I275 WeakPolarHBondContact O-CG1 3.19Å; T271-I275 PolarHBondContact O-N 3.47Å; T271-I275 VanDerWaalsContact O-N 3.12Å; V272-I275 PolarHBondContact O-N 3.44Å; V273-I275 VanDerWaalsContact C-N 3.26Å; V273-I275 PolarHBondContact O-N 3.33Å; I275-M278 PolarHBondContact O-N 2.79Å; I275-I279 WeakPolarHBondContact O-CG1 3.03Å; I275-I279 PolarHBondContact O-N 3.03Å; I275-T366 HydrophobicContact CD1-CG2 4.13Å; I275-A370 HydrophobicContact CB-CB 3.71Å; I275-A370 HydrophobicContact CG2-CB 3.4Å
276	A	92.4	Very high	89.6	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66	-37.4	177.1	0	0	0	0	0	112.6	V272 V273 I279 F280 I288 L373	V272-A276 PolarHBondContact O-N 3.44Å; V272-A276 VanDerWaalsContact O-N 3.1Å; V273-A276 PolarHBondContact O-N 3.08Å; A276-I279 WeakPolarHBondContact O-CB 3.24Å; A276-I279 PolarHBondContact O-N 3.37Å; A276-F280 WeakPolarHBondContact O-CD2 3.49Å; A276-F280 PolarHBondContact O-N 2.78Å; A276-I288 HydrophobicContact CB-CD1 4.02Å; A276-L373 HydrophobicContact CB-CD2 3.79Å; A276-L373 HydrophobicContact CB-CG 4.24Å
277	D	90.8	Very high	89.5	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.011	8%	0.084	C	C	.	.	H	α-helix	trans	-58.7	-47.7	176.2	176.9	51.8	0	0	0	111.3	N109 Q140 V273 I279 F280 R281 Q287 I288	N109-D277 PolarHBondContact ND2-OD2 2.66Å; N109-D277 VanDerWaalsContact ND2-OD2 3.14Å; Q140-D277 PolarHBondContact NE2-OD2 2.98Å; V273-D277 WeakPolarHBondContact O-CB 3.45Å; V273-D277 PolarHBondContact O-N 3.26Å; D277-I279 VanDerWaalsContact C-N 3.27Å; D277-I279 PolarHBondContact O-N 3.06Å; D277-F280 PolarHBondContact O-N 2.74Å; D277-F280 VanDerWaalsContact O-N 3.11Å; D277-R281 VanDerWaalsContact O-CB 3.28Å; D277-R281 WeakPolarHBondContact O-CB 3.49Å; D277-R281 PolarHBondContact O-N 3.14Å; D277-Q287 WeakPolarHBondContact OD1-CA 3.08Å; D277-I288 HydrophobicContact CB-CB 4.17Å; D277-I288 PolarHBondContact OD1-N 3.34Å
278	M	86.6	Confident	89.6	Confident	5 Å²	5	17.7 Å²	17.7	3%	0.025	8%	0.081	C	C	.	.	H	α-helix	trans	-57.1	-39.1	175.4	179.6	57.6	85.6	0	0	112.6	Q140 F150 A151 A152 M162 N274 I275 E282	Q140-M278 HydrophobicContact CB-CE 3.64Å; Q140-M278 HydrophobicContact CG-CE 3.76Å; F150-M278 HydrophobicContact CB-CE 4.15Å; F150-M278 HydrophobicContact CB-CG 4.3Å; F150-M278 HydrophobicContact CB-SD 3.82Å; F150-M278 HydrophobicContact CD2-CG 3.78Å; F150-M278 HydrophobicContact CD2-SD 4.4Å; F150-M278 HydrophobicContact CE2-CG 4.5Å; F150-M278 HydrophobicContact CG-CG 4.28Å; F150-M278 HydrophobicContact CG-SD 4.32Å; A151-M278 WeakPolarHBondContact O-CE 3.36Å; A152-M278 HydrophobicContact CB-CB 3.96Å; A152-M278 HydrophobicContact CB-CG 4.31Å; M162-M278 HydrophobicContact CE-CG 4.43Å; N274-M278 PolarHBondContact O-N 3.11Å; I275-M278 PolarHBondContact O-N 2.79Å; M278-E282 PolarHBondContact O-N 2.74Å; M278-E282 VanDerWaalsContact O-N 3.17Å; M278-E282 HydrophobicContact SD-CG 3.68Å
279	I	87.9	Confident	89.6	Confident	7 Å²	7	17 Å²	17	4%	0.036	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-44.5	176.9	-66	171	0	0	0	110.9	M162 I275 A276 D277 Q283 I405 F417	M162-I279 HydrophobicContact CE-CD1 4.32Å; M162-I279 HydrophobicContact CE-CG1 3.94Å; I275-I279 WeakPolarHBondContact O-CG1 3.03Å; I275-I279 PolarHBondContact O-N 3.03Å; A276-I279 WeakPolarHBondContact O-CB 3.24Å; A276-I279 PolarHBondContact O-N 3.37Å; D277-I279 VanDerWaalsContact C-N 3.27Å; D277-I279 PolarHBondContact O-N 3.06Å; I279-Q283 WeakPolarHBondContact O-CB 3.49Å; I279-Q283 WeakPolarHBondContact O-CG 3.13Å; I279-Q283 PolarHBondContact O-N 2.9Å; I279-I405 HydrophobicContact CG2-CD1 3.5Å; I279-I405 VanDerWaalsContact CG2-CD1 3.5Å; I279-F417 HydrophobicContact CG2-CE2 4Å
280	F	91.1	Very high	89.5	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.4	-37.8	-179.3	-85.4	-125.1	0	0	0	111.9	I244 A276 D277 L284 N285 T286 I288 A374 L377 I381 F417	I244-F280 HydrophobicContact CD1-CD1 3.93Å; I244-F280 HydrophobicContact CD1-CE1 3.83Å; A276-F280 WeakPolarHBondContact O-CD2 3.49Å; A276-F280 PolarHBondContact O-N 2.78Å; D277-F280 PolarHBondContact O-N 2.74Å; D277-F280 VanDerWaalsContact O-N 3.11Å; F280-L284 HydrophobicContact CD1-CD1 4.13Å; F280-L284 HydrophobicContact CE1-CD1 4.19Å; F280-L284 HydrophobicContact CG-CD1 4.4Å; F280-L284 HydrophobicContact CZ-CD1 4.5Å; F280-L284 CarbonylContact O-C 3.54Å; F280-L284 WeakPolarHBondContact O-CA 3.36Å; F280-L284 PolarHBondContact O-N 3.19Å; F280-N285 PolarHBondContact O-N 2.82Å; F280-T286 CarbonylContact C-O 3.55Å; F280-T286 VanDerWaalsContact CB-O 3.3Å; F280-T286 WeakPolarHBondContact CB-O 3.07Å; F280-T286 HydrophobicContact CD1-CG2 4.08Å; F280-T286 PolarHBondContact O-N 3.39Å; F280-I288 HydrophobicContact CB-CD1 4.23Å; F280-I288 HydrophobicContact CB-CG1 4.34Å; F280-I288 HydrophobicContact CD1-CD1 4.09Å; F280-I288 HydrophobicContact CD1-CG1 4.22Å; F280-I288 HydrophobicContact CD2-CD1 3.94Å; F280-I288 HydrophobicContact CE1-CD1 4.48Å; F280-I288 HydrophobicContact CE2-CD1 4.37Å; F280-I288 HydrophobicContact CG-CD1 3.82Å; F280-I288 HydrophobicContact CG-CG1 4.22Å; F280-A374 HydrophobicContact CE2-CB 3.87Å; F280-L377 HydrophobicContact CE1-CB 3.98Å; F280-L377 HydrophobicContact CE2-CB 4.45Å; F280-L377 HydrophobicContact CZ-CB 3.55Å; F280-I381 HydrophobicContact CD1-CD1 4.49Å; F280-I381 HydrophobicContact CE1-CD1 3.77Å; F280-I381 HydrophobicContact CZ-CD1 4.48Å; F280-F417 HydrophobicContact CD2-CE2 4.35Å; F280-F417 HydrophobicContact CE2-CE2 4.09Å; F280-F417 AromaticContact CE2-CZ 3.92Å; F280-F417 HydrophobicContact CE2-CZ 3.92Å; F280-F417 HydrophobicContact CZ-CZ 4.24Å
281	R	87.4	Confident	89.4	Confident	108 Å²	108	17.9 Å²	17.9	41%	0.408	8%	0.083	S	C	.	.	H	α-helix	trans	-62.3	-50.1	179.2	-177.3	179.9	-179.6	171.2	4.5	111.5	D277 T286	D277-R281 VanDerWaalsContact O-CB 3.28Å; D277-R281 WeakPolarHBondContact O-CB 3.49Å; D277-R281 PolarHBondContact O-N 3.14Å; R281-T286 VanDerWaalsContact CA-O 3.31Å; R281-T286 WeakPolarHBondContact CA-O 3.24Å; R281-T286 PolarHBondContact N-O 2.95Å
282	E	84.1	Confident	89.3	Confident	86 Å²	86	17.9 Å²	17.9	40%	0.402	8%	0.084	S	C	.	.	H	α-helix	trans	-77.3	-20	-175.7	-68.7	-72.1	142.4	0	0	113.7	R142 F150 M278	R142-E282 IonicContact NH2-OE1 2.7Å; F150-E282 HydrophobicContact CD1-CG 4.45Å; M278-E282 PolarHBondContact O-N 2.74Å; M278-E282 VanDerWaalsContact O-N 3.17Å; M278-E282 HydrophobicContact SD-CG 3.68Å
283	Q	86.3	Confident	89.2	Confident	45 Å²	45	17.9 Å²	17.9	21%	0.21	8%	0.084	C	C	.	.	H	α-helix	trans	-117.4	-28	-172.6	-59.6	-177.4	50.3	0	0	115.4	I279 K415 F417	I279-Q283 WeakPolarHBondContact O-CB 3.49Å; I279-Q283 WeakPolarHBondContact O-CG 3.13Å; I279-Q283 PolarHBondContact O-N 2.9Å; Q283-K415 PolarHBondContact NE2-O 3.15Å; Q283-F417 HydrophobicContact CB-CD2 4.25Å
284	L	88.7	Confident	89.2	Confident	6 Å²	6	19.1 Å²	19.1	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-124.6	6.9	-173.4	-60.2	176.4	0	0	0	113.2	F280 T286 I381 I383 F417 V422 Y425	F280-L284 HydrophobicContact CD1-CD1 4.13Å; F280-L284 HydrophobicContact CE1-CD1 4.19Å; F280-L284 HydrophobicContact CG-CD1 4.4Å; F280-L284 HydrophobicContact CZ-CD1 4.5Å; F280-L284 CarbonylContact O-C 3.54Å; F280-L284 WeakPolarHBondContact O-CA 3.36Å; F280-L284 PolarHBondContact O-N 3.19Å; L284-T286 PolarHBondContact O-N 3.4Å; L284-T286 VanDerWaalsContact O-N 3.13Å; L284-T286 PolarHBondContact O-OG1 3.05Å; L284-I381 HydrophobicContact CD1-CD1 3.87Å; L284-I383 HydrophobicContact CD1-CD1 3.85Å; L284-I383 HydrophobicContact CD2-CD1 4.28Å; L284-F417 HydrophobicContact CD1-CD2 4Å; L284-F417 HydrophobicContact CD1-CE2 3.66Å; L284-F417 HydrophobicContact CD1-CZ 4.09Å; L284-F417 HydrophobicContact CD2-CD2 4.44Å; L284-F417 HydrophobicContact CG-CD2 4.14Å; L284-F417 HydrophobicContact CG-CE2 4.24Å; L284-V422 HydrophobicContact CD2-CG1 4.48Å; L284-V422 HydrophobicContact CD2-CG2 4.05Å; L284-Y425 HydrophobicContact CB-CD1 4.37Å; L284-Y425 HydrophobicContact CB-CE1 4.22Å; L284-Y425 HydrophobicContact CD2-CD1 3.97Å; L284-Y425 HydrophobicContact CD2-CG 4.47Å
285	N	88.1	Confident	89.2	Confident	60 Å²	60	19.2 Å²	19.2	32%	0.321	9%	0.09	S	C	.	.	S	Bend	trans	46.8	41.8	-173.1	-170.2	20.2	0	0	0	112	D239 E240 T241 K242 F280	D239-N285 PolarHBondContact O-ND2 2.83Å; E240-N285 PolarHBondContact O-ND2 2.59Å; T241-N285 WeakPolarHBondContact CA-O 3.42Å; T241-N285 WeakPolarHBondContact CB-OD1 3.18Å; T241-N285 PolarHBondContact OG1-OD1 3.41Å; K242-N285 PolarHBondContact N-O 3.46Å; F280-N285 PolarHBondContact O-N 2.82Å
286	T	89.4	Confident	89.4	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.6	-173.7	-60.7	0	0	0	0	109	K242 I244 F280 R281 L284 Y425	K242-T286 HydrophobicContact CB-CG2 3.98Å; K242-T286 CarbonylContact O-C 3.46Å; K242-T286 WeakPolarHBondContact O-CA 3.16Å; I244-T286 HydrophobicContact CD1-CG2 3.69Å; I244-T286 HydrophobicContact CG1-CG2 3.84Å; F280-T286 CarbonylContact C-O 3.55Å; F280-T286 VanDerWaalsContact CB-O 3.3Å; F280-T286 WeakPolarHBondContact CB-O 3.07Å; F280-T286 HydrophobicContact CD1-CG2 4.08Å; F280-T286 PolarHBondContact O-N 3.39Å; R281-T286 VanDerWaalsContact CA-O 3.31Å; R281-T286 WeakPolarHBondContact CA-O 3.24Å; R281-T286 PolarHBondContact N-O 2.95Å; L284-T286 PolarHBondContact O-N 3.4Å; L284-T286 VanDerWaalsContact O-N 3.13Å; L284-T286 PolarHBondContact O-OG1 3.05Å; T286-Y425 PolarHBondContact OG1-OH 2.01Å; T286-Y425 VanDerWaalsContact OG1-OH 3.1Å
287	Q	88	Confident	89.3	Confident	27 Å²	27	20 Å²	20	13%	0.126	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.1	178	-59.4	-178	18.4	0	0	110.3	T241 K242 Y243 I244 D277	T241-Q287 HydrophobicContact CG2-CG 4.27Å; K242-Q287 PolarHBondContact O-N 3.48Å; Y243-Q287 CarbonylContact C-O 3.56Å; Y243-Q287 WeakPolarHBondContact CA-O 3.36Å; Y243-Q287 HydrophobicContact CD1-CB 4Å; Y243-Q287 HydrophobicContact CE1-CB 4.23Å; Y243-Q287 HydrophobicContact CE1-CG 4.31Å; I244-Q287 PolarHBondContact N-O 3.25Å; D277-Q287 WeakPolarHBondContact OD1-CA 3.08Å
288	I	91.2	Very high	89.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.6	177.9	-56.8	170.1	0	0	0	108.5	I244 L246 V273 A276 D277 F280 L377	I244-I288 HydrophobicContact CD1-CG1 4.33Å; L246-I288 HydrophobicContact CB-CG2 3.93Å; L246-I288 HydrophobicContact CD2-CG2 3.64Å; L246-I288 HydrophobicContact CG-CG2 4.43Å; V273-I288 HydrophobicContact CG1-CB 4.47Å; V273-I288 HydrophobicContact CG1-CG2 3.78Å; A276-I288 HydrophobicContact CB-CD1 4.02Å; D277-I288 HydrophobicContact CB-CB 4.17Å; D277-I288 PolarHBondContact OD1-N 3.34Å; F280-I288 HydrophobicContact CB-CD1 4.23Å; F280-I288 HydrophobicContact CB-CG1 4.34Å; F280-I288 HydrophobicContact CD1-CD1 4.09Å; F280-I288 HydrophobicContact CD1-CG1 4.22Å; F280-I288 HydrophobicContact CD2-CD1 3.94Å; F280-I288 HydrophobicContact CE1-CD1 4.48Å; F280-I288 HydrophobicContact CE2-CD1 4.37Å; F280-I288 HydrophobicContact CG-CD1 3.82Å; F280-I288 HydrophobicContact CG-CG1 4.22Å; I288-L377 HydrophobicContact CD1-CD1 3.54Å; I288-L377 HydrophobicContact CG1-CD1 4.23Å; I288-L377 HydrophobicContact CG2-CD1 4.37Å
289	V	89.9	Confident	89.4	Confident	6 Å²	6	26.9 Å²	26.9	4%	0.036	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.9	-176.2	-176.1	0	0	0	0	109.8	Y243 I244 L246 V291 P441	Y243-V289 HydrophobicContact CD1-CG2 4.28Å; I244-V289 PolarHBondContact O-N 2.89Å; L246-V289 PolarHBondContact N-O 3.24Å; V289-V291 PolarHBondContact O-N 3.38Å; V289-P441 HydrophobicContact CB-CB 4.49Å; V289-P441 HydrophobicContact CB-CG 3.98Å; V289-P441 HydrophobicContact CG1-CB 3.96Å; V289-P441 HydrophobicContact CG1-CG 4Å; V289-P441 HydrophobicContact CG2-CG 3.96Å
290	L	89.8	Confident	89.6	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.5	-179.5	-165.6	72.7	0	0	0	110.6	L112 L113 S114 Y117 L246 V248 K270 M293	L112-L290 WeakPolarHBondContact O-CB 3.5Å; L112-L290 PolarHBondContact O-N 2.92Å; L113-L290 HydrophobicContact CD2-CB 4.07Å; L113-L290 HydrophobicContact CD2-CD2 3.94Å; S114-L290 PolarHBondContact N-O 3.01Å; S114-L290 VanDerWaalsContact N-O 3.14Å; Y117-L290 HydrophobicContact CD2-CD2 4.19Å; Y117-L290 HydrophobicContact CD2-CG 4.1Å; Y117-L290 WeakPolarHBondContact CD2-O 3.29Å; Y117-L290 HydrophobicContact CE2-CB 4.42Å; Y117-L290 HydrophobicContact CE2-CD2 3.33Å; Y117-L290 HydrophobicContact CE2-CG 3.61Å; L246-L290 HydrophobicContact CG-CD1 4.36Å; L246-L290 WeakPolarHBondContact O-CA 3.36Å; V248-L290 HydrophobicContact CB-CD1 4.28Å; V248-L290 HydrophobicContact CG2-CD1 3.75Å; K270-L290 HydrophobicContact CG-CD2 4.09Å; L290-M293 HydrophobicContact CD2-CE 3.67Å
291	V	88.6	Confident	89.6	Confident	17 Å²	17	32.6 Å²	32.6	10%	0.103	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-27.3	-179.4	-65.2	0	0	0	0	113.8	Y117 E245 L246 V289 C327	Y117-V291 WeakPolarHBondContact CA-O 3.28Å; E245-V291 HydrophobicContact CB-CG1 3.72Å; E245-V291 HydrophobicContact CB-CG2 4.24Å; E245-V291 HydrophobicContact CG-CG1 3.89Å; L246-V291 WeakPolarHBondContact O-CG2 3.3Å; L246-V291 PolarHBondContact O-N 3.03Å; V289-V291 PolarHBondContact O-N 3.38Å; V291-C327 HydrophobicContact CG2-CB 3.94Å
292	A	88.7	Confident	89.9	Confident	3 Å²	3	29 Å²	29	3%	0.025	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	156.1	175.6	0	0	0	0	0	111.8	M247 V248 E325	M247-A292 WeakPolarHBondContact CA-O 3.21Å; M247-A292 HydrophobicContact CB-CB 4.28Å; M247-A292 HydrophobicContact CG-CB 3.89Å; M247-A292 HydrophobicContact SD-CB 4.12Å; V248-A292 PolarHBondContact N-O 3.23Å; A292-E325 HydrophobicContact CB-CG 4.44Å
293	M	91.2	Very high	90.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.2	168.1	-168.5	-179.9	-65.5	0	0	110.9	Y117 Q118 E119 R120 V248 N250 N266 A269 K270 L290	Y117-M293 HydrophobicContact CE2-CB 4.12Å; Q118-M293 PolarHBondContact O-N 3.02Å; E119-M293 CarbonylContact C-O 3.52Å; E119-M293 WeakPolarHBondContact CA-O 2.99Å; R120-M293 PolarHBondContact N-O 2.9Å; V248-M293 HydrophobicContact CB-CE 4.48Å; V248-M293 HydrophobicContact CB-CG 4.37Å; V248-M293 VanDerWaalsContact O-CA 3.29Å; V248-M293 WeakPolarHBondContact O-CA 3.19Å; V248-M293 WeakPolarHBondContact O-CG 3.3Å; N250-M293 PolarHBondContact ND2-SD 2.95Å; N266-M293 VanDerWaalsContact CA-SD 3.56Å; N266-M293 HydrophobicContact CB-SD 3.69Å; A269-M293 HydrophobicContact CB-CE 3.63Å; A269-M293 HydrophobicContact CB-SD 4.01Å; K270-M293 HydrophobicContact CG-CE 3.88Å; L290-M293 HydrophobicContact CD2-CE 3.67Å
294	E	91.8	Very high	90.6	Very high	26 Å²	26	29.4 Å²	29.4	12%	0.121	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.9	171.9	-176.7	172.9	152.9	0	0	111.4	R120 M247 V248 I249 N250 W296 Y318	R120-E294 HydrophobicContact CB-CB 4.27Å; R120-E294 HydrophobicContact CB-CG 4.15Å; R120-E294 IonicContact CZ-OE2 3.23Å; R120-E294 VanDerWaalsContact CZ-OE2 3.28Å; R120-E294 IonicContact NE-OE2 3.69Å; R120-E294 PolarHBondContact NE-OE2 2.72Å; R120-E294 IonicContact NH2-OE2 3.71Å; R120-E294 PolarHBondContact NH2-OE2 2.75Å; R120-E294 CarbonylContact O-C 3.52Å; R120-E294 VanDerWaalsContact O-CA 3.31Å; R120-E294 WeakPolarHBondContact O-CA 3.33Å; M247-E294 HydrophobicContact CE-CB 4.19Å; V248-E294 PolarHBondContact O-N 2.75Å; I249-E294 CarbonylContact C-O 3.57Å; I249-E294 WeakPolarHBondContact CA-O 3.11Å; I249-E294 HydrophobicContact CG1-CB 4.33Å; N250-E294 PolarHBondContact N-O 2.96Å; E294-W296 PolarHBondContact OE1-NE1 2.98Å; E294-Y318 PolarHBondContact OE1-OH 3.17Å
295	T	93.1	Very high	90.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.3	178.2	-66.5	0	0	0	0	110.6	R120 N250 Y255 T265 N266 S297	R120-T295 PolarHBondContact O-N 2.85Å; N250-T295 HydrophobicContact CB-CG2 4.2Å; N250-T295 PolarHBondContact ND2-OG1 2.93Å; Y255-T295 HydrophobicContact CD2-CG2 3.92Å; Y255-T295 HydrophobicContact CG-CG2 4.45Å; T265-T295 HydrophobicContact CG2-CG2 4.46Å; N266-T295 PolarHBondContact OD1-OG1 3.11Å; T295-S297 VanDerWaalsContact C-N 3.31Å; T295-S297 PolarHBondContact O-N 2.81Å
296	W	93.7	Very high	90.6	Very high	4 Å²	4	33 Å²	33	2%	0.015	17%	0.174	C	C	.	.			trans	-80.6	73.8	-178.2	-65.7	-14.2	0	0	0	112	I249 N250 D251 H252 E294 V298 N300 K301 F302 Y318 L332	I249-W296 HydrophobicContact CG2-CD2 4.22Å; I249-W296 HydrophobicContact CG2-CH2 4.21Å; I249-W296 HydrophobicContact CG2-CZ2 3.64Å; N250-W296 PolarHBondContact O-N 3.38Å; D251-W296 HydrophobicContact CB-CE3 3.95Å; D251-W296 HydrophobicContact CB-CZ3 4.18Å; H252-W296 VanDerWaalsContact CA-O 3.29Å; H252-W296 WeakPolarHBondContact CA-O 3.5Å; H252-W296 HydrophobicContact CB-CB 4.46Å; H252-W296 WeakPolarHBondContact CB-O 3.35Å; H252-W296 PolarHBondContact ND1-O 2.8Å; E294-W296 PolarHBondContact OE1-NE1 2.98Å; W296-V298 VanDerWaalsContact C-N 3.29Å; W296-V298 PolarHBondContact O-N 3.47Å; W296-N300 HydrophobicContact CE3-CB 4.12Å; W296-N300 HydrophobicContact CZ3-CB 4.27Å; W296-K301 HydrophobicContact CD2-CG 3.99Å; W296-K301 HydrophobicContact CG-CG 4.35Å; W296-K301 HydrophobicContact CH2-CB 4.33Å; W296-K301 HydrophobicContact CZ2-CB 4.01Å; W296-K301 HydrophobicContact CZ2-CG 3.86Å; W296-F302 HydrophobicContact CH2-CD1 4.11Å; W296-F302 AromaticContact CH2-CE1 3.5Å; W296-F302 HydrophobicContact CH2-CE1 3.5Å; W296-F302 VanDerWaalsContact CH2-CE1 3.5Å; W296-F302 AromaticContact CH2-CZ 3.97Å; W296-F302 HydrophobicContact CH2-CZ 3.97Å; W296-F302 HydrophobicContact CZ2-CE1 4.34Å; W296-F302 HydrophobicContact CZ3-CE1 4.32Å; W296-Y318 HydrophobicContact CZ2-CD1 4.28Å; W296-Y318 AromaticContact CZ2-CE1 3.87Å; W296-Y318 HydrophobicContact CZ2-CE1 3.87Å; W296-L332 HydrophobicContact CH2-CD1 4.15Å; W296-L332 HydrophobicContact CZ3-CD1 4.22Å
297	S	89.9	Confident	90.5	Very high	15 Å²	15	36.5 Å²	36.5	11%	0.105	19%	0.193	C	C	.	.	S	Bend	trans	-60.1	-27.8	-178.5	49.2	0	0	0	0	115.5	L122 H252 Y255 T295	L122-S297 PolarHBondContact N-OG 2.76Å; L122-S297 PolarHBondContact O-OG 3.42Å; H252-S297 PolarHBondContact CE1-O 2.89Å; H252-S297 VanDerWaalsContact CE1-O 3.28Å; H252-S297 PolarHBondContact ND1-O 2.78Å; Y255-S297 WeakPolarHBondContact CE1-O 3.36Å; T295-S297 VanDerWaalsContact C-N 3.31Å; T295-S297 PolarHBondContact O-N 2.81Å
298	V	88.8	Confident	90.5	Very high	73 Å²	73	35.6 Å²	35.6	44%	0.442	19%	0.189	S	C	.	.	S	Bend	trans	-102.9	-53.6	-173.1	175.9	0	0	0	0	112.7	L122 H252 W296	L122-V298 HydrophobicContact CB-CG2 4.1Å; L122-V298 HydrophobicContact CD2-CB 4.49Å; L122-V298 HydrophobicContact CD2-CG2 4.08Å; H252-V298 PolarHBondContact CE1-O 2.82Å; H252-V298 PolarHBondContact ND1-O 2.87Å; H252-V298 PolarHBondContact NE2-O 2.76Å; W296-V298 VanDerWaalsContact C-N 3.29Å; W296-V298 PolarHBondContact O-N 3.47Å
299	D	89.3	Confident	90.3	Very high	80 Å²	80	36.6 Å²	36.6	43%	0.428	19%	0.194	S	C	.	.			trans	-161.2	153.9	-172.9	61.5	-18.1	0	0	0	111.3	K301	D299-K301 PolarHBondContact O-NZ 3.15Å; D299-K301 IonicContact OD1-NZ 2.66Å; D299-K301 PolarHBondContact OD1-NZ 3.08Å
300	N	92.6	Very high	90.3	Very high	45 Å²	45	39 Å²	39	24%	0.241	21%	0.208	C	C	.	.			trans	-69.5	139.8	172	-73.9	-14.2	0	0	0	110.3	D251 H252 W296 F302 I304	D251-N300 PolarHBondContact OD2-ND2 2.85Å; D251-N300 VanDerWaalsContact OD2-ND2 3.16Å; D251-N300 PolarHBondContact OD2-OD1 3.02Å; H252-N300 WeakPolarHBondContact CB-OD1 3.05Å; H252-N300 PolarHBondContact N-OD1 3.24Å; W296-N300 HydrophobicContact CE3-CB 4.12Å; W296-N300 HydrophobicContact CZ3-CB 4.27Å; N300-F302 VanDerWaalsContact C-N 3.31Å; N300-F302 WeakPolarHBondContact CB-O 3.42Å; N300-F302 PolarHBondContact O-N 2.61Å; N300-I304 WeakPolarHBondContact ND2-CD1 3.13Å
301	K	91.4	Very high	90.5	Very high	81 Å²	81	38.9 Å²	38.9	35%	0.352	21%	0.208	S	C	.	.	S	Bend	trans	-80.3	-13.1	-176.4	-54.3	-53	170.4	-160.3	0	114.1	W296 D299 Y318	W296-K301 HydrophobicContact CD2-CG 3.99Å; W296-K301 HydrophobicContact CG-CG 4.35Å; W296-K301 HydrophobicContact CH2-CB 4.33Å; W296-K301 HydrophobicContact CZ2-CB 4.01Å; W296-K301 HydrophobicContact CZ2-CG 3.86Å; D299-K301 PolarHBondContact O-NZ 3.15Å; D299-K301 IonicContact OD1-NZ 2.66Å; D299-K301 PolarHBondContact OD1-NZ 3.08Å; K301-Y318 HydrophobicContact CB-CD2 3.97Å; K301-Y318 HydrophobicContact CB-CE2 3.62Å; K301-Y318 HydrophobicContact CG-CE2 3.92Å
302	F	94.3	Very high	90.6	Very high	33 Å²	33	38.1 Å²	38.1	15%	0.145	20%	0.203	C	C	.	.	S	Bend	trans	-148.7	171	168.4	56.3	-93.6	0	0	0	108.6	W296 N300 I304 T311 E314 F315 Y318 L332	W296-F302 HydrophobicContact CH2-CD1 4.11Å; W296-F302 AromaticContact CH2-CE1 3.5Å; W296-F302 HydrophobicContact CH2-CE1 3.5Å; W296-F302 VanDerWaalsContact CH2-CE1 3.5Å; W296-F302 AromaticContact CH2-CZ 3.97Å; W296-F302 HydrophobicContact CH2-CZ 3.97Å; W296-F302 HydrophobicContact CZ2-CE1 4.34Å; W296-F302 HydrophobicContact CZ3-CE1 4.32Å; N300-F302 VanDerWaalsContact C-N 3.31Å; N300-F302 WeakPolarHBondContact CB-O 3.42Å; N300-F302 PolarHBondContact O-N 2.61Å; F302-I304 HydrophobicContact CE2-CG1 4.36Å; F302-T311 HydrophobicContact CE2-CG2 4.3Å; F302-E314 HydrophobicContact CD2-CB 3.75Å; F302-E314 HydrophobicContact CE2-CB 4.11Å; F302-E314 HydrophobicContact CG-CB 4.18Å; F302-F315 HydrophobicContact CE1-CB 4.26Å; F302-F315 AromaticContact CE1-CD2 3.94Å; F302-F315 HydrophobicContact CE1-CD2 3.94Å; F302-F315 HydrophobicContact CE2-CB 4.44Å; F302-F315 HydrophobicContact CZ-CB 3.68Å; F302-F315 AromaticContact CZ-CD2 3.81Å; F302-F315 HydrophobicContact CZ-CD2 3.81Å; F302-F315 HydrophobicContact CZ-CG 4.23Å; F302-Y318 HydrophobicContact CD1-CD2 4.5Å; F302-Y318 HydrophobicContact CD1-CG 4.2Å; F302-Y318 HydrophobicContact CE1-CD1 4.47Å; F302-Y318 HydrophobicContact CE1-CG 4.14Å; F302-L332 HydrophobicContact CZ-CD2 4.14Å
303	N	92.5	Very high	90.8	Very high	127 Å²	127	39.9 Å²	39.9	68%	0.679	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-75.4	125.7	177.3	-170.5	59.9	0	0	0	110.8
304	I	91.8	Very high	90.9	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.067	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-84.5	125.7	171.8	-60.7	-177.8	0	0	0	107.3	D251 N300 F302 T311 F338	D251-I304 HydrophobicContact CB-CD1 3.68Å; D251-I304 VanDerWaalsContact OD2-CD1 3.3Å; D251-I304 WeakPolarHBondContact OD2-CD1 3.03Å; N300-I304 WeakPolarHBondContact ND2-CD1 3.13Å; F302-I304 HydrophobicContact CE2-CG1 4.36Å; I304-T311 HydrophobicContact CG2-CG2 3.99Å; I304-F338 HydrophobicContact CG2-CE1 4.41Å
305	D	90.7	Very high	91.1	Very high	62 Å²	62	42 Å²	42	33%	0.332	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-98	158.4	-179.4	-157.4	-78.7	0	0	0	110.6	D307 V310 T311 F338	D305-D307 PolarHBondContact O-N 3.18Å; D305-D307 PolarHBondContact OD1-N 3.45Å; D305-V310 HydrophobicContact CB-CB 4.05Å; D305-V310 HydrophobicContact CB-CG1 3.9Å; D305-T311 PolarHBondContact N-OG1 2.81Å; D305-T311 PolarHBondContact O-OG1 2.88Å; D305-T311 VanDerWaalsContact O-OG1 3.1Å; D305-F338 WeakPolarHBondContact O-CE1 3.24Å
306	D	86.5	Confident	91.1	Very high	80 Å²	80	42.3 Å²	42.3	43%	0.428	22%	0.222	S	C	.	.	S	Bend	trans	-72.2	-19.7	175.7	-61.5	-26	0	0	0	111.7	H339	D306-H339 WeakPolarHBondContact CB-ND1 3.4Å; D306-H339 PolarHBondContact O-N 3.49Å; D306-H339 IonicContact OD2-CE1 3.66Å; D306-H339 PolarHBondContact OD2-CE1 2.72Å; D306-H339 VanDerWaalsContact OD2-CE1 3.27Å; D306-H339 IonicContact OD2-ND1 2.72Å
307	D	87.4	Confident	91.1	Very high	73 Å²	73	47.4 Å²	47.4	39%	0.39	24%	0.244	S	C	.	.	S	Bend	trans	-80.2	115.8	165.4	-174	-16.6	0	0	0	110.3	D305 M309 V310 T311	D305-D307 PolarHBondContact O-N 3.18Å; D305-D307 PolarHBondContact OD1-N 3.45Å; D307-M309 PolarHBondContact O-N 2.77Å; D307-M309 WeakPolarHBondContact OD1-CA 3.46Å; D307-M309 WeakPolarHBondContact OD1-CB 3.28Å; D307-M309 PolarHBondContact OD1-N 3.16Å; D307-V310 HydrophobicContact CB-CB 4.19Å; D307-V310 HydrophobicContact CB-CG2 3.9Å; D307-V310 PolarHBondContact O-N 2.04Å; D307-T311 PolarHBondContact O-N 3.49Å; D307-T311 PolarHBondContact O-OG1 3.35Å
308	P	88.5	Confident	91.3	Very high	7 Å²	7	47.8 Å²	47.8	5%	0.045	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-24.1	179.2	26.4	-32.3	0	0	0	112.4	L312 F338 V345	P308-L312 WeakPolarHBondContact O-CB 3.31Å; P308-L312 PolarHBondContact O-N 3.07Å; P308-F338 HydrophobicContact CB-CB 4.25Å; P308-F338 HydrophobicContact CB-CD1 3.92Å; P308-F338 HydrophobicContact CB-CD2 3.76Å; P308-F338 HydrophobicContact CB-CE1 4.21Å; P308-F338 HydrophobicContact CB-CE2 4.08Å; P308-F338 HydrophobicContact CB-CG 3.7Å; P308-F338 HydrophobicContact CB-CZ 4.3Å; P308-F338 HydrophobicContact CG-CB 4.14Å; P308-F338 HydrophobicContact CG-CD2 4.49Å; P308-F338 HydrophobicContact CG-CG 4.14Å; P308-V345 HydrophobicContact CB-CB 4.14Å; P308-V345 HydrophobicContact CB-CG2 3.69Å; P308-V345 HydrophobicContact CG-CG2 3.69Å
309	M	86.9	Confident	91.5	Very high	21 Å²	21	44.9 Å²	44.9	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-75.7	-39.4	-179.6	-162.4	59.1	62.2	0	0	112.6	D307 T311 L312 K313 V345 D646	D307-M309 PolarHBondContact O-N 2.77Å; D307-M309 WeakPolarHBondContact OD1-CA 3.46Å; D307-M309 WeakPolarHBondContact OD1-CB 3.28Å; D307-M309 PolarHBondContact OD1-N 3.16Å; M309-T311 VanDerWaalsContact C-N 3.35Å; M309-L312 PolarHBondContact O-N 2.98Å; M309-L312 HydrophobicContact SD-CD2 4.21Å; M309-K313 WeakPolarHBondContact O-CD 3.44Å; M309-K313 VanDerWaalsContact O-CG 3.32Å; M309-K313 WeakPolarHBondContact O-CG 3.49Å; M309-K313 PolarHBondContact O-N 3.5Å; M309-K313 VanDerWaalsContact O-N 3.07Å; M309-V345 HydrophobicContact CE-CG1 3.25Å; M309-V345 HydrophobicContact SD-CG1 3.92Å; M309-D646 VanDerWaalsContact CE-C 3.49Å; M309-D646 HydrophobicContact CE-CB 4.04Å; M309-D646 VanDerWaalsContact CG-O 3.23Å; M309-D646 WeakPolarHBondContact CG-O 3.1Å; M309-D646 VanDerWaalsContact SD-CA 3.55Å; M309-D646 HydrophobicContact SD-CB 3.72Å
310	V	89.8	Confident	91.6	Very high	56 Å²	56	46.9 Å²	46.9	34%	0.339	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-46.3	172.3	175.7	0	0	0	0	109.1	D305 D307 L312 K313 E314	D305-V310 HydrophobicContact CB-CB 4.05Å; D305-V310 HydrophobicContact CB-CG1 3.9Å; D307-V310 HydrophobicContact CB-CB 4.19Å; D307-V310 HydrophobicContact CB-CG2 3.9Å; D307-V310 PolarHBondContact O-N 2.04Å; V310-L312 PolarHBondContact O-N 3.28Å; V310-K313 PolarHBondContact O-N 3.28Å; V310-E314 PolarHBondContact O-N 3.27Å; V310-E314 VanDerWaalsContact O-N 3.1Å
311	T	92.5	Very high	91.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-43.7	175.5	-63	0	0	0	0	112.1	F302 I304 D305 D307 M309 K313 E314 F315 L332 V360	F302-T311 HydrophobicContact CE2-CG2 4.3Å; I304-T311 HydrophobicContact CG2-CG2 3.99Å; D305-T311 PolarHBondContact N-OG1 2.81Å; D305-T311 PolarHBondContact O-OG1 2.88Å; D305-T311 VanDerWaalsContact O-OG1 3.1Å; D307-T311 PolarHBondContact O-N 3.49Å; D307-T311 PolarHBondContact O-OG1 3.35Å; M309-T311 VanDerWaalsContact C-N 3.35Å; T311-K313 PolarHBondContact O-N 2.9Å; T311-E314 PolarHBondContact O-N 2.93Å; T311-F315 WeakPolarHBondContact O-CB 3.2Å; T311-F315 PolarHBondContact O-N 3.37Å; T311-L332 HydrophobicContact CG2-CD2 3.93Å; T311-V360 HydrophobicContact CG2-CG1 3.95Å; T311-V360 HydrophobicContact CG2-CG2 4.16Å
312	L	92.6	Very high	91.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-42.4	176.1	176.6	62.9	0	0	0	112.3	P308 M309 V310 F315 M316 V345 Y347 V360	P308-L312 WeakPolarHBondContact O-CB 3.31Å; P308-L312 PolarHBondContact O-N 3.07Å; M309-L312 PolarHBondContact O-N 2.98Å; M309-L312 HydrophobicContact SD-CD2 4.21Å; V310-L312 PolarHBondContact O-N 3.28Å; L312-F315 PolarHBondContact O-N 3.49Å; L312-M316 HydrophobicContact CD1-CG 3.9Å; L312-M316 HydrophobicContact CD1-SD 4.46Å; L312-M316 WeakPolarHBondContact O-CG 3.47Å; L312-M316 PolarHBondContact O-N 3.14Å; L312-V345 HydrophobicContact CD2-CG1 3.94Å; L312-Y347 HydrophobicContact CD1-CD2 4.41Å; L312-Y347 HydrophobicContact CD1-CE2 4.26Å; L312-Y347 HydrophobicContact CD2-CD2 3.95Å; L312-Y347 HydrophobicContact CD2-CE2 3.83Å; L312-Y347 HydrophobicContact CD2-CG 4.41Å; L312-Y347 HydrophobicContact CG-CD2 4.24Å; L312-Y347 HydrophobicContact CG-CE2 3.79Å; L312-V360 HydrophobicContact CB-CG2 3.93Å; L312-V360 HydrophobicContact CD1-CG2 4.04Å
313	K	91.6	Very high	91.2	Very high	41 Å²	41	51.6 Å²	51.6	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-44	179.7	-73.7	161.8	-171.9	163.4	0	111.9	M309 V310 T311 K317 Y347 D646 D648	M309-K313 WeakPolarHBondContact O-CD 3.44Å; M309-K313 VanDerWaalsContact O-CG 3.32Å; M309-K313 WeakPolarHBondContact O-CG 3.49Å; M309-K313 PolarHBondContact O-N 3.5Å; M309-K313 VanDerWaalsContact O-N 3.07Å; V310-K313 PolarHBondContact O-N 3.28Å; T311-K313 PolarHBondContact O-N 2.9Å; K313-K317 WeakPolarHBondContact O-CG 3.27Å; K313-K317 PolarHBondContact O-N 2.66Å; K313-Y347 WeakPolarHBondContact CG-OH 3.4Å; K313-D646 PolarHBondContact NZ-O 2.85Å; K313-D648 IonicContact NZ-OD1 3.76Å; K313-D648 PolarHBondContact NZ-OD1 3.27Å; K313-D648 VanDerWaalsContact NZ-OD1 3.1Å; K313-D648 IonicContact NZ-OD2 3.74Å; K313-D648 PolarHBondContact NZ-OD2 3.01Å
314	E	93.6	Very high	90.8	Very high	70 Å²	70	54.3 Å²	54.3	33%	0.327	26%	0.259	S	S	.	.	H	α-helix	trans	-69.8	-37.6	174.9	-63	-49.5	131.9	0	0	112.3	F302 V310 T311 M316 K317 Y318	F302-E314 HydrophobicContact CD2-CB 3.75Å; F302-E314 HydrophobicContact CE2-CB 4.11Å; F302-E314 HydrophobicContact CG-CB 4.18Å; V310-E314 PolarHBondContact O-N 3.27Å; V310-E314 VanDerWaalsContact O-N 3.1Å; T311-E314 PolarHBondContact O-N 2.93Å; E314-M316 PolarHBondContact O-N 2.83Å; E314-K317 WeakPolarHBondContact O-CB 3.45Å; E314-K317 PolarHBondContact O-N 3.16Å; E314-K317 IonicContact OE1-NZ 3.16Å; E314-K317 PolarHBondContact OE1-NZ 2.79Å; E314-K317 WeakPolarHBondContact OE2-CD 3.33Å; E314-K317 IonicContact OE2-NZ 2.79Å; E314-K317 PolarHBondContact OE2-NZ 3.1Å; E314-Y318 PolarHBondContact O-N 2.72Å
315	F	95	Very high	90.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-42.6	176.1	-177.3	-119.6	0	0	0	112.9	I249 F302 T311 L312 Y318 R319 V330 L332 V360	I249-F315 HydrophobicContact CB-CE2 4.21Å; I249-F315 HydrophobicContact CB-CZ 4.38Å; I249-F315 HydrophobicContact CD1-CE2 3.77Å; I249-F315 HydrophobicContact CD1-CZ 4.03Å; I249-F315 HydrophobicContact CG1-CE2 4.42Å; I249-F315 HydrophobicContact CG1-CZ 4.46Å; I249-F315 HydrophobicContact CG2-CE2 4.5Å; F302-F315 HydrophobicContact CE1-CB 4.26Å; F302-F315 AromaticContact CE1-CD2 3.94Å; F302-F315 HydrophobicContact CE1-CD2 3.94Å; F302-F315 HydrophobicContact CE2-CB 4.44Å; F302-F315 HydrophobicContact CZ-CB 3.68Å; F302-F315 AromaticContact CZ-CD2 3.81Å; F302-F315 HydrophobicContact CZ-CD2 3.81Å; F302-F315 HydrophobicContact CZ-CG 4.23Å; T311-F315 WeakPolarHBondContact O-CB 3.2Å; T311-F315 PolarHBondContact O-N 3.37Å; L312-F315 PolarHBondContact O-N 3.49Å; F315-Y318 WeakPolarHBondContact O-CB 3.37Å; F315-Y318 PolarHBondContact O-N 3.19Å; F315-R319 PolarHBondContact O-N 2.83Å; F315-V330 HydrophobicContact CE1-CG1 4.33Å; F315-V330 WeakPolarHBondContact CE1-O 3.39Å; F315-V330 HydrophobicContact CZ-CG1 3.85Å; F315-L332 HydrophobicContact CD1-CB 4.1Å; F315-L332 HydrophobicContact CD2-CB 3.98Å; F315-L332 HydrophobicContact CD2-CD1 4.25Å; F315-L332 HydrophobicContact CD2-CD2 4.09Å; F315-L332 HydrophobicContact CD2-CG 4.34Å; F315-L332 HydrophobicContact CE1-CB 3.87Å; F315-L332 HydrophobicContact CE2-CB 3.75Å; F315-L332 HydrophobicContact CE2-CD1 3.96Å; F315-L332 HydrophobicContact CE2-CG 4.29Å; F315-L332 HydrophobicContact CG-CB 4.14Å; F315-L332 HydrophobicContact CG-CD2 4.34Å; F315-L332 HydrophobicContact CZ-CB 3.68Å; F315-V360 HydrophobicContact CB-CG2 4.41Å; F315-V360 HydrophobicContact CD1-CG2 4.33Å
316	M	93.7	Very high	90.1	Very high	8 Å²	8	62.9 Å²	62.9	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-74.1	-25.8	179.4	-64.6	-54.2	-70.9	0	0	113.3	L312 E314 K320 Y347 T355	L312-M316 HydrophobicContact CD1-CG 3.9Å; L312-M316 HydrophobicContact CD1-SD 4.46Å; L312-M316 WeakPolarHBondContact O-CG 3.47Å; L312-M316 PolarHBondContact O-N 3.14Å; E314-M316 PolarHBondContact O-N 2.83Å; M316-K320 PolarHBondContact O-N 2.88Å; M316-K320 VanDerWaalsContact O-N 3.17Å; M316-Y347 HydrophobicContact CG-CD2 4.37Å; M316-Y347 HydrophobicContact CG-CE2 3.93Å; M316-T355 VanDerWaalsContact CE-C 3.44Å; M316-T355 WeakPolarHBondContact CE-O 3.38Å
317	K	93.4	Very high	90.2	Very high	110 Å²	110	59.7 Å²	59.7	48%	0.478	28%	0.278	S	S	.	.	H	α-helix	trans	-65.1	-47.8	165.2	-66.6	169.3	-168.3	172	0	110.6	K313 E314 R319 K320 D321	K313-K317 WeakPolarHBondContact O-CG 3.27Å; K313-K317 PolarHBondContact O-N 2.66Å; E314-K317 WeakPolarHBondContact O-CB 3.45Å; E314-K317 PolarHBondContact O-N 3.16Å; E314-K317 IonicContact OE1-NZ 3.16Å; E314-K317 PolarHBondContact OE1-NZ 2.79Å; E314-K317 WeakPolarHBondContact OE2-CD 3.33Å; E314-K317 IonicContact OE2-NZ 2.79Å; E314-K317 PolarHBondContact OE2-NZ 3.1Å; K317-R319 VanDerWaalsContact C-N 3.33Å; K317-R319 PolarHBondContact O-N 2.92Å; K317-K320 WeakPolarHBondContact O-CB 3.32Å; K317-K320 PolarHBondContact O-N 3.02Å; K317-K320 VanDerWaalsContact O-N 3.15Å; K317-D321 PolarHBondContact O-N 3.43Å; K317-D321 VanDerWaalsContact O-N 3.09Å
318	Y	93.8	Very high	90.4	Very high	24 Å²	24	56.9 Å²	56.9	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-43.2	176.3	172.2	-93.3	0	0	0	112.1	I249 E294 W296 K301 F302 E314 F315 K320 D321 F322 I323	I249-Y318 HydrophobicContact CD1-CE1 4.01Å; E294-Y318 PolarHBondContact OE1-OH 3.17Å; W296-Y318 HydrophobicContact CZ2-CD1 4.28Å; W296-Y318 AromaticContact CZ2-CE1 3.87Å; W296-Y318 HydrophobicContact CZ2-CE1 3.87Å; K301-Y318 HydrophobicContact CB-CD2 3.97Å; K301-Y318 HydrophobicContact CB-CE2 3.62Å; K301-Y318 HydrophobicContact CG-CE2 3.92Å; F302-Y318 HydrophobicContact CD1-CD2 4.5Å; F302-Y318 HydrophobicContact CD1-CG 4.2Å; F302-Y318 HydrophobicContact CE1-CD1 4.47Å; F302-Y318 HydrophobicContact CE1-CG 4.14Å; E314-Y318 PolarHBondContact O-N 2.72Å; F315-Y318 WeakPolarHBondContact O-CB 3.37Å; F315-Y318 PolarHBondContact O-N 3.19Å; Y318-K320 PolarHBondContact O-N 3.04Å; Y318-D321 PolarHBondContact O-N 3.33Å; Y318-F322 HydrophobicContact CD2-CB 4.15Å; Y318-F322 AromaticContact CD2-CD2 3.43Å; Y318-F322 HydrophobicContact CD2-CD2 3.43Å; Y318-F322 VanDerWaalsContact CD2-CD2 3.43Å; Y318-F322 HydrophobicContact CD2-CE2 4.09Å; Y318-F322 AromaticContact CD2-CG 3.98Å; Y318-F322 HydrophobicContact CD2-CG 3.98Å; Y318-F322 HydrophobicContact CE2-CB 3.78Å; Y318-F322 AromaticContact CE2-CD2 3.76Å; Y318-F322 HydrophobicContact CE2-CD2 3.76Å; Y318-F322 AromaticContact CE2-CG 3.81Å; Y318-F322 HydrophobicContact CE2-CG 3.81Å; Y318-F322 HydrophobicContact CG-CD2 4.23Å; Y318-F322 WeakPolarHBondContact O-CB 3.45Å; Y318-F322 PolarHBondContact O-N 2.83Å; Y318-I323 HydrophobicContact CD1-CD1 4.43Å; Y318-I323 HydrophobicContact CE1-CD1 4.17Å; Y318-I323 HydrophobicContact CE1-CG1 4.16Å
319	R	93.3	Very high	90.7	Very high	12 Å²	12	56.5 Å²	56.5	5%	0.045	26%	0.261	C	S	.	.	H	α-helix	trans	-54.5	-53.5	172.6	175.9	179.5	-175.9	-156.4	11.3	111.5	F315 K317 D321 I323 C327 V330 S353 L354 G357	F315-R319 PolarHBondContact O-N 2.83Å; K317-R319 VanDerWaalsContact C-N 3.33Å; K317-R319 PolarHBondContact O-N 2.92Å; R319-D321 VanDerWaalsContact C-N 3.27Å; R319-D321 PolarHBondContact O-N 2.99Å; R319-I323 HydrophobicContact CB-CD1 4.01Å; R319-I323 HydrophobicContact CG-CB 4.31Å; R319-I323 HydrophobicContact CG-CD1 4.07Å; R319-I323 WeakPolarHBondContact O-CB 3.27Å; R319-I323 PolarHBondContact O-N 2.81Å; R319-I323 VanDerWaalsContact O-N 3.09Å; R319-C327 PolarHBondContact NH2-O 2.91Å; R319-V330 HydrophobicContact CG-CG2 4.3Å; R319-S353 PolarHBondContact NH1-O 3.31Å; R319-L354 WeakPolarHBondContact CD-O 3.47Å; R319-L354 HydrophobicContact CG-CD1 4.46Å; R319-L354 PolarHBondContact NH1-O 2.84Å; R319-G357 PolarHBondContact NH1-O 3.14Å
320	K	91.8	Very high	91.1	Very high	122 Å²	122	55.5 Å²	55.5	53%	0.53	26%	0.256	S	S	.	.	H	α-helix	trans	-58	-39	-175.8	-173.8	-168.1	177.4	-173	0	112.7	M316 K317 Y318 L354 T355	M316-K320 PolarHBondContact O-N 2.88Å; M316-K320 VanDerWaalsContact O-N 3.17Å; K317-K320 WeakPolarHBondContact O-CB 3.32Å; K317-K320 PolarHBondContact O-N 3.02Å; K317-K320 VanDerWaalsContact O-N 3.15Å; Y318-K320 PolarHBondContact O-N 3.04Å; K320-L354 HydrophobicContact CG-CD2 4.23Å; K320-T355 HydrophobicContact CD-CG2 4.16Å
321	D	91.6	Very high	91.5	Very high	111 Å²	111	52.9 Å²	52.9	59%	0.594	24%	0.24	S	C	*	.	H	α-helix	trans	-94.2	-28.3	-170.2	-65.1	-14.6	0	0	0	113.4	K317 Y318 R319	K317-D321 PolarHBondContact O-N 3.43Å; K317-D321 VanDerWaalsContact O-N 3.09Å; Y318-D321 PolarHBondContact O-N 3.33Å; R319-D321 VanDerWaalsContact C-N 3.27Å; R319-D321 PolarHBondContact O-N 2.99Å
322	F	89.3	Confident	91.7	Very high	132 Å²	132	52.9 Å²	52.9	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-117.8	-29.5	-171.9	-63.6	-84	0	0	0	115.6	Y318	Y318-F322 HydrophobicContact CD2-CB 4.15Å; Y318-F322 AromaticContact CD2-CD2 3.43Å; Y318-F322 HydrophobicContact CD2-CD2 3.43Å; Y318-F322 VanDerWaalsContact CD2-CD2 3.43Å; Y318-F322 HydrophobicContact CD2-CE2 4.09Å; Y318-F322 AromaticContact CD2-CG 3.98Å; Y318-F322 HydrophobicContact CD2-CG 3.98Å; Y318-F322 HydrophobicContact CE2-CB 3.78Å; Y318-F322 AromaticContact CE2-CD2 3.76Å; Y318-F322 HydrophobicContact CE2-CD2 3.76Å; Y318-F322 AromaticContact CE2-CG 3.81Å; Y318-F322 HydrophobicContact CE2-CG 3.81Å; Y318-F322 HydrophobicContact CG-CD2 4.23Å; Y318-F322 WeakPolarHBondContact O-CB 3.45Å; Y318-F322 PolarHBondContact O-N 2.83Å
323	I	88.1	Confident	91.8	Very high	15 Å²	15	53 Å²	53	8%	0.077	24%	0.24	C	C	.	.			trans	-85.8	128.3	-177.7	-57.5	179.3	0	0	0	109.2	M247 I249 Y318 R319 E325 V330	M247-I323 HydrophobicContact CE-CD1 4.11Å; M247-I323 HydrophobicContact CE-CG1 4.48Å; M247-I323 HydrophobicContact CE-CG2 4.34Å; M247-I323 HydrophobicContact SD-CD1 4.19Å; M247-I323 HydrophobicContact SD-CG2 3.73Å; I249-I323 HydrophobicContact CD1-CD1 3.55Å; Y318-I323 HydrophobicContact CD1-CD1 4.43Å; Y318-I323 HydrophobicContact CE1-CD1 4.17Å; Y318-I323 HydrophobicContact CE1-CG1 4.16Å; R319-I323 HydrophobicContact CB-CD1 4.01Å; R319-I323 HydrophobicContact CG-CB 4.31Å; R319-I323 HydrophobicContact CG-CD1 4.07Å; R319-I323 WeakPolarHBondContact O-CB 3.27Å; R319-I323 PolarHBondContact O-N 2.81Å; R319-I323 VanDerWaalsContact O-N 3.09Å; I323-E325 HydrophobicContact CG2-CB 4.36Å; I323-V330 HydrophobicContact CD1-CG1 3.95Å
324	K	84.7	Confident	92	Very high	183 Å²	183	51 Å²	51	80%	0.796	23%	0.232	S	C	*	.			trans	-117.3	-11.7	-175.1	-64	-179	-176.9	176.5	0	113.1
325	E	83.4	Confident	91.8	Very high	72 Å²	72	47.8 Å²	47.8	34%	0.336	22%	0.217	S	C	.	.	S	Bend	trans	-65	143	174.9	-68.8	61.9	-145.4	0	0	109.8	R120 A292 I323	R120-E325 IonicContact CZ-OE1 2.71Å; R120-E325 IonicContact CZ-OE2 2.67Å; R120-E325 IonicContact NH1-OE1 3.32Å; R120-E325 PolarHBondContact NH1-OE1 2.79Å; R120-E325 IonicContact NH1-OE2 3.52Å; R120-E325 PolarHBondContact NH1-OE2 3.28Å; R120-E325 IonicContact NH2-OE2 3.66Å; A292-E325 HydrophobicContact CB-CG 4.44Å; I323-E325 HydrophobicContact CG2-CB 4.36Å
326	K	84	Confident	91.4	Very high	183 Å²	183	50 Å²	50	80%	0.796	23%	0.229	S	C	*	.			trans	-81.1	119.1	169.3	-68.5	-169.9	173	-164.6	0	107.9
327	C	88.9	Confident	91	Very high	14 Å²	14	55.2 Å²	55.2	10%	0.095	25%	0.253	C	S	.	.			trans	-148	139.4	177.5	-36.1	0	0	0	0	107.6	E245 M247 V291 R319 V330	E245-C327 CarbonylContact O-C 3.6Å; M247-C327 HydrophobicContact CB-CB 4.11Å; M247-C327 VanDerWaalsContact CB-SG 3.59Å; V291-C327 HydrophobicContact CG2-CB 3.94Å; R319-C327 PolarHBondContact NH2-O 2.91Å; C327-V330 HydrophobicContact CB-CG2 4.17Å
328	D	92.6	Very high	90.6	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.07	23%	0.233	C	C	.	.	S	Bend	trans	-71.3	-41.5	178.7	-60.5	-32.9	0	0	0	111.5	E245 V351 C352 C436 L437	E245-D328 HydrophobicContact CB-CB 4.38Å; E245-D328 WeakPolarHBondContact CB-OD2 3.39Å; E245-D328 PolarHBondContact N-OD2 3.47Å; E245-D328 PolarHBondContact O-N 3.1Å; D328-V351 HydrophobicContact CB-CG2 4.23Å; D328-C352 PolarHBondContact O-N 2.86Å; D328-C436 VanDerWaalsContact OD1-CB 3.24Å; D328-C436 WeakPolarHBondContact OD1-CB 3.43Å; D328-C436 PolarHBondContact OD1-SG 3.21Å; D328-L437 HydrophobicContact CB-CD2 4.27Å
329	S	94.7	Very high	89.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.9	173.3	-157.1	0	0	0	0	112.4	E245 M247 H331 G357 G358 N380	E245-S329 PolarHBondContact O-N 3.31Å; M247-S329 PolarHBondContact N-O 2.93Å; S329-H331 PolarHBondContact OG-CD2 3.01Å; S329-H331 PolarHBondContact OG-NE2 3.13Å; S329-G357 WeakPolarHBondContact CA-O 3.2Å; S329-G357 PolarHBondContact OG-O 3.29Å; S329-G358 WeakPolarHBondContact OG-CA 3.33Å; S329-N380 PolarHBondContact OG-OD1 3.19Å; S329-N380 VanDerWaalsContact OG-OD1 3.14Å
330	V	95.8	Very high	88.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.2	175.3	-170.1	0	0	0	0	109.1	M247 I249 F315 R319 I323 C327 G357 G358 G359	M247-V330 HydrophobicContact CB-CG1 4.16Å; M247-V330 HydrophobicContact CB-CG2 4.22Å; M247-V330 HydrophobicContact CG-CG1 4.07Å; M247-V330 CarbonylContact O-C 3.47Å; M247-V330 VanDerWaalsContact O-CA 3.32Å; M247-V330 WeakPolarHBondContact O-CA 3.22Å; M247-V330 HydrophobicContact SD-CG1 4.22Å; I249-V330 HydrophobicContact CD1-CG1 4.11Å; I249-V330 HydrophobicContact CG1-CG1 4.36Å; F315-V330 HydrophobicContact CE1-CG1 4.33Å; F315-V330 WeakPolarHBondContact CE1-O 3.39Å; F315-V330 HydrophobicContact CZ-CG1 3.85Å; R319-V330 HydrophobicContact CG-CG2 4.3Å; I323-V330 HydrophobicContact CD1-CG1 3.95Å; C327-V330 HydrophobicContact CB-CG2 4.17Å; V330-G357 PolarHBondContact N-O 3.38Å; V330-G358 WeakPolarHBondContact O-CA 3.31Å; V330-G359 PolarHBondContact O-N 3.46Å
331	H	96.7	Very high	87.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.3	-177.1	-71.4	-117.3	0	0	0	111.6	L246 M247 I249 S329 G359 L373 S376 L377 N380	L246-H331 HydrophobicContact CD1-CB 4.29Å; L246-H331 VanDerWaalsContact CD1-CD2 3.42Å; L246-H331 WeakPolarHBondContact CD1-CD2 3.39Å; M247-H331 PolarHBondContact O-N 2.79Å; I249-H331 PolarHBondContact N-O 3.04Å; S329-H331 PolarHBondContact OG-CD2 3.01Å; S329-H331 PolarHBondContact OG-NE2 3.13Å; H331-G359 CarbonylContact C-O 3.53Å; H331-G359 VanDerWaalsContact CA-O 3.3Å; H331-G359 WeakPolarHBondContact CA-O 3.43Å; H331-L373 HydrophobicContact CB-CD1 4.29Å; H331-S376 PolarHBondContact CE1-OG 2.72Å; H331-S376 VanDerWaalsContact CE1-OG 3.3Å; H331-S376 PolarHBondContact ND1-OG 3.49Å; H331-S376 VanDerWaalsContact ND1-OG 3.07Å; H331-L377 WeakPolarHBondContact NE2-CD2 3.2Å; H331-N380 PolarHBondContact CE1-OD1 2.88Å; H331-N380 VanDerWaalsContact CE1-OD1 3.27Å; H331-N380 PolarHBondContact NE2-OD1 3.1Å
332	L	96.6	Very high	86	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.2	170.8	-174.8	64.1	0	0	0	109.5	I249 D251 W296 F302 T311 F315 G359 V360 N361	I249-L332 HydrophobicContact CB-CD1 4.17Å; I249-L332 HydrophobicContact CG2-CD1 3.85Å; D251-L332 HydrophobicContact CB-CD1 4.3Å; W296-L332 HydrophobicContact CH2-CD1 4.15Å; W296-L332 HydrophobicContact CZ3-CD1 4.22Å; F302-L332 HydrophobicContact CZ-CD2 4.14Å; T311-L332 HydrophobicContact CG2-CD2 3.93Å; F315-L332 HydrophobicContact CD1-CB 4.1Å; F315-L332 HydrophobicContact CD2-CB 3.98Å; F315-L332 HydrophobicContact CD2-CD1 4.25Å; F315-L332 HydrophobicContact CD2-CD2 4.09Å; F315-L332 HydrophobicContact CD2-CG 4.34Å; F315-L332 HydrophobicContact CE1-CB 3.87Å; F315-L332 HydrophobicContact CE2-CB 3.75Å; F315-L332 HydrophobicContact CE2-CD1 3.96Å; F315-L332 HydrophobicContact CE2-CG 4.29Å; F315-L332 HydrophobicContact CG-CB 4.14Å; F315-L332 HydrophobicContact CG-CD2 4.34Å; F315-L332 HydrophobicContact CZ-CB 3.68Å; L332-G359 PolarHBondContact N-O 3Å; L332-V360 HydrophobicContact CB-CB 4.46Å; L332-V360 HydrophobicContact CB-CG1 4.28Å; L332-V360 HydrophobicContact CB-CG2 4.12Å; L332-V360 HydrophobicContact CD2-CG1 4.06Å; L332-V360 HydrophobicContact CD2-CG2 4.24Å; L332-V360 HydrophobicContact CG-CG1 4.43Å; L332-N361 PolarHBondContact O-N 3.01Å; L332-N361 PolarHBondContact O-ND2 2.92Å; L332-N361 VanDerWaalsContact O-ND2 3.07Å
333	F	96.2	Very high	85.3	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	102.5	167.6	-77	-1.9	0	0	0	107.9	V248 I249 D251 M254 A269 V272 N361 L373	V248-F333 HydrophobicContact CG1-CD1 4.44Å; V248-F333 HydrophobicContact CG1-CD2 3.49Å; V248-F333 VanDerWaalsContact CG1-CD2 3.49Å; V248-F333 HydrophobicContact CG1-CE2 3.66Å; V248-F333 HydrophobicContact CG1-CG 3.92Å; V248-F333 HydrophobicContact CG1-CZ 4.22Å; V248-F333 HydrophobicContact CG2-CE2 4.5Å; V248-F333 HydrophobicContact CG2-CZ 4.47Å; I249-F333 PolarHBondContact O-N 2.63Å; D251-F333 PolarHBondContact N-O 3.26Å; D251-F333 VanDerWaalsContact N-O 3.08Å; M254-F333 HydrophobicContact CE-CB 4.15Å; A269-F333 HydrophobicContact CB-CD2 3.93Å; A269-F333 HydrophobicContact CB-CE2 3.85Å; V272-F333 HydrophobicContact CB-CE2 4.23Å; V272-F333 HydrophobicContact CB-CZ 4.33Å; V272-F333 HydrophobicContact CG1-CE2 4.01Å; V272-F333 HydrophobicContact CG1-CZ 3.64Å; F333-N361 HydrophobicContact CD1-CB 4.04Å; F333-N361 HydrophobicContact CE1-CB 4.28Å; F333-L373 HydrophobicContact CE1-CB 4.47Å; F333-L373 HydrophobicContact CE1-CD1 4.19Å; F333-L373 HydrophobicContact CZ-CD1 4.45Å; F333-L373 HydrophobicContact CZ-CD2 4.18Å
334	S	94.2	Very high	85	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.247	C	C	.	.			trans	-91.3	132.9	-178.3	-176.9	0	0	0	0	110.6	M254 N336 N361 E362 Y363	M254-S334 WeakPolarHBondContact CE-O 3.36Å; S334-N336 PolarHBondContact O-N 3.33Å; S334-N336 PolarHBondContact OG-N 2.88Å; S334-N361 WeakPolarHBondContact CB-O 3.27Å; S334-N361 PolarHBondContact N-O 3.35Å; S334-E362 CarbonylContact O-C 3.52Å; S334-Y363 WeakPolarHBondContact O-CB 3.38Å; S334-Y363 PolarHBondContact O-N 3.29Å
335	G	90.3	Very high	85.2	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	-73.9	-7.6	172.4	0	0	0	0	0	114.4	D251 K257	D251-G335 PolarHBondContact OD1-N 2.82Å; K257-G335 VanDerWaalsContact CE-O 3.26Å; K257-G335 WeakPolarHBondContact CE-O 2.95Å
336	N	87.5	Confident	85.6	Confident	46 Å²	46	40.5 Å²	40.5	25%	0.246	20%	0.196	C	C	.	.	S	Bend	trans	-84.5	161.9	174.9	-66.2	-4.2	0	0	0	111.1	S334 Y363	S334-N336 PolarHBondContact O-N 3.33Å; S334-N336 PolarHBondContact OG-N 2.88Å; N336-Y363 PolarHBondContact O-N 3.15Å; N336-Y363 VanDerWaalsContact O-N 3.09Å
337	Q	84.9	Confident	85.9	Confident	119 Å²	119	32.9 Å²	32.9	56%	0.556	16%	0.163	S	C	*	.			trans	-106.5	140.8	165.3	-72	178.8	-18	0	0	108.1	E362	Q337-E362 WeakPolarHBondContact CA-OE2 3.44Å
338	F	83.6	Confident	85.9	Confident	13 Å²	13	33.8 Å²	33.8	6%	0.057	17%	0.168	C	C	.	.			trans	-92.5	152.8	-176.2	-64.7	-61.7	0	0	0	111.6	I304 D305 P308 S340 V360 E362	I304-F338 HydrophobicContact CG2-CE1 4.41Å; D305-F338 WeakPolarHBondContact O-CE1 3.24Å; P308-F338 HydrophobicContact CB-CB 4.25Å; P308-F338 HydrophobicContact CB-CD1 3.92Å; P308-F338 HydrophobicContact CB-CD2 3.76Å; P308-F338 HydrophobicContact CB-CE1 4.21Å; P308-F338 HydrophobicContact CB-CE2 4.08Å; P308-F338 HydrophobicContact CB-CG 3.7Å; P308-F338 HydrophobicContact CB-CZ 4.3Å; P308-F338 HydrophobicContact CG-CB 4.14Å; P308-F338 HydrophobicContact CG-CD2 4.49Å; P308-F338 HydrophobicContact CG-CG 4.14Å; F338-S340 PolarHBondContact O-N 3.11Å; F338-V360 HydrophobicContact CE2-CG1 3.77Å; F338-V360 HydrophobicContact CZ-CG1 3.53Å; F338-E362 HydrophobicContact CD2-CB 3.64Å; F338-E362 HydrophobicContact CE2-CB 3.85Å; F338-E362 PolarHBondContact N-OE2 2.86Å
339	H	71.4	Confident	85.7	Confident	160 Å²	160	33.3 Å²	33.3	74%	0.741	17%	0.166	S	C	*	.	S	Bend	trans	-76.2	15.7	177.6	-70.2	151.3	0	0	0	114	D306	D306-H339 WeakPolarHBondContact CB-ND1 3.4Å; D306-H339 PolarHBondContact O-N 3.49Å; D306-H339 IonicContact OD2-CE1 3.66Å; D306-H339 PolarHBondContact OD2-CE1 2.72Å; D306-H339 VanDerWaalsContact OD2-CE1 3.27Å; D306-H339 IonicContact OD2-ND1 2.72Å
340	S	68.5	Low	85.4	Confident	43 Å²	43	33.5 Å²	33.5	30%	0.301	17%	0.168	S	C	.	.	S	Bend	trans	-108	155.3	-177.3	106.7	0	0	0	0	111.4	F338 R342	F338-S340 PolarHBondContact O-N 3.11Å; S340-R342 PolarHBondContact O-N 3.27Å; S340-R342 VanDerWaalsContact O-N 3.08Å; S340-R342 PolarHBondContact OG-N 3.06Å; S340-R342 PolarHBondContact OG-O 3.18Å
341	N	65.8	Low	85.2	Confident	142 Å²	142	33.9 Å²	33.9	76%	0.759	17%	0.17	S	C	*	.	S	Bend	trans	-67	-4	173.3	-71.3	0.2	0	0	0	113.7
342	R	68.1	Low	84.9	Confident	99 Å²	99	36.2 Å²	36.2	37%	0.374	19%	0.186	S	C	.	.			trans	-112	118.8	179.7	-60.8	-176.4	-176.3	155.2	10	110.4	S340 A344 D408	S340-R342 PolarHBondContact O-N 3.27Å; S340-R342 VanDerWaalsContact O-N 3.08Å; S340-R342 PolarHBondContact OG-N 3.06Å; S340-R342 PolarHBondContact OG-O 3.18Å; R342-A344 PolarHBondContact O-N 3.49Å; R342-D408 IonicContact NE-OD1 3.1Å
343	G	74.6	Confident	84.5	Confident	3 Å²	3	37.3 Å²	37.3	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	-76.9	-0.3	172.8	0	0	0	0	0	114.7	E362	G343-E362 WeakPolarHBondContact CA-OE1 3.33Å; G343-E362 PolarHBondContact O-N 2.85Å
344	A	83.8	Confident	84.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141	176	0	0	0	0	0	111.5	R342 V360 T372	R342-A344 PolarHBondContact O-N 3.49Å; A344-V360 WeakPolarHBondContact CA-O 3.43Å; A344-T372 HydrophobicContact CB-CG2 4.32Å; A344-T372 WeakPolarHBondContact CB-O 3.11Å
345	V	88.2	Confident	83.8	Confident	11 Å²	11	45 Å²	45	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.2	176.7	176.5	0	0	0	0	109.8	P308 M309 L312 G359 V360	P308-V345 HydrophobicContact CB-CB 4.14Å; P308-V345 HydrophobicContact CB-CG2 3.69Å; P308-V345 HydrophobicContact CG-CG2 3.69Å; M309-V345 HydrophobicContact CE-CG1 3.25Å; M309-V345 HydrophobicContact SD-CG1 3.92Å; L312-V345 HydrophobicContact CD2-CG1 3.94Å; V345-G359 CarbonylContact O-C 3.58Å; V345-G359 VanDerWaalsContact O-CA 3.22Å; V345-G359 WeakPolarHBondContact O-CA 3.44Å; V345-V360 PolarHBondContact N-O 3.02Å; V345-V360 PolarHBondContact O-N 2.91Å
346	S	91.1	Very high	83.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	162.8	177.6	74.7	0	0	0	0	110.8	T348 G358 S376 Q379 N380	S346-T348 PolarHBondContact O-N 3.2Å; S346-G358 VanDerWaalsContact CB-O 3.28Å; S346-G358 WeakPolarHBondContact CB-O 2.97Å; S346-S376 PolarHBondContact OG-O 3.39Å; S346-Q379 VanDerWaalsContact N-OE1 3.09Å; S346-Q379 PolarHBondContact O-OE1 3.26Å; S346-Q379 WeakPolarHBondContact OG-CB 3.42Å; S346-Q379 PolarHBondContact OG-OE1 3.4Å; S346-N380 WeakPolarHBondContact CB-ND2 3.49Å
347	Y	90.3	Very high	84	Confident	24 Å²	24	47.2 Å²	47.2	9%	0.094	24%	0.244	C	C	.	.			trans	-73.7	124.8	175	-68.9	-73.3	0	0	0	111.4	L312 K313 M316 G349 G350 K356 N380 D646	L312-Y347 HydrophobicContact CD1-CD2 4.41Å; L312-Y347 HydrophobicContact CD1-CE2 4.26Å; L312-Y347 HydrophobicContact CD2-CD2 3.95Å; L312-Y347 HydrophobicContact CD2-CE2 3.83Å; L312-Y347 HydrophobicContact CD2-CG 4.41Å; L312-Y347 HydrophobicContact CG-CD2 4.24Å; L312-Y347 HydrophobicContact CG-CE2 3.79Å; K313-Y347 WeakPolarHBondContact CG-OH 3.4Å; M316-Y347 HydrophobicContact CG-CD2 4.37Å; M316-Y347 HydrophobicContact CG-CE2 3.93Å; Y347-G349 PolarHBondContact O-N 2.82Å; Y347-G350 PolarHBondContact O-N 3.4Å; Y347-K356 WeakPolarHBondContact CB-O 3.29Å; Y347-K356 HydrophobicContact CD1-CD 4.41Å; Y347-K356 HydrophobicContact CD2-CB 4.13Å; Y347-K356 HydrophobicContact CD2-CG 4.26Å; Y347-K356 HydrophobicContact CG-CB 4.08Å; Y347-K356 HydrophobicContact CG-CD 4.37Å; Y347-K356 HydrophobicContact CG-CG 4.13Å; Y347-N380 PolarHBondContact O-ND2 3.37Å; Y347-D646 HydrophobicContact CD1-CB 4.21Å; Y347-D646 VanDerWaalsContact CD1-OD2 3.27Å; Y347-D646 WeakPolarHBondContact CD1-OD2 3.47Å; Y347-D646 HydrophobicContact CE1-CB 4.11Å
348	T	89.1	Confident	84.4	Confident	32 Å²	32	41.5 Å²	41.5	20%	0.196	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	128.2	-179.9	-57.7	0	0	0	0	111.2	S346 G350 Q379 F384	S346-T348 PolarHBondContact O-N 3.2Å; T348-G350 PolarHBondContact O-N 3.3Å; T348-Q379 CarbonylContact C-O 3.55Å; T348-Q379 VanDerWaalsContact CA-O 3.3Å; T348-Q379 WeakPolarHBondContact CA-O 3.07Å; T348-F384 HydrophobicContact CG2-CD1 4.32Å
349	G	88.6	Confident	84.9	Confident	4 Å²	4	40.9 Å²	40.9	4%	0.041	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	30.4	-177.6	0	0	0	0	0	113.6	Y347 Q379 N380 R549	Y347-G349 PolarHBondContact O-N 2.82Å; G349-Q379 PolarHBondContact N-O 3.1Å; G349-N380 CarbonylContact C-O 3.5Å; G349-N380 VanDerWaalsContact CA-O 3.28Å; G349-N380 WeakPolarHBondContact CA-O 3.39Å; G349-R549 PolarHBondContact O-NH2 3.38Å
350	G	88.3	Confident	86	Confident	3 Å²	3	33.3 Å²	33.3	3%	0.031	18%	0.179	C	C	.	.			trans	-87.2	-13.3	-176.4	0	0	0	0	0	115.8	Y347 T348 S353 K356 G357 N380	Y347-G350 PolarHBondContact O-N 3.4Å; T348-G350 PolarHBondContact O-N 3.3Å; G350-S353 WeakPolarHBondContact O-CB 3.26Å; G350-S353 PolarHBondContact O-N 3.17Å; G350-S353 VanDerWaalsContact O-N 3.13Å; G350-K356 CarbonylContact O-C 3.57Å; G350-G357 WeakPolarHBondContact O-CA 3.02Å; G350-G357 PolarHBondContact O-N 3.41Å; G350-N380 PolarHBondContact N-O 2.84Å
351	V	92	Very high	87.2	Confident	9 Å²	9	31.3 Å²	31.3	6%	0.055	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	150.2	-178.4	71.1	0	0	0	0	112.6	D328 S353 N380 I381 F428 L437	D328-V351 HydrophobicContact CB-CG2 4.23Å; V351-S353 PolarHBondContact O-N 3.12Å; V351-S353 VanDerWaalsContact O-N 3.11Å; V351-N380 HydrophobicContact CB-CB 4.46Å; V351-N380 WeakPolarHBondContact CB-O 3.42Å; V351-N380 WeakPolarHBondContact CG1-O 3.33Å; V351-N380 PolarHBondContact N-O 2.85Å; V351-I381 HydrophobicContact CB-CG2 4.44Å; V351-I381 HydrophobicContact CG1-CG2 4.32Å; V351-F428 HydrophobicContact CG1-CE1 3.84Å; V351-F428 HydrophobicContact CG1-CZ 3.75Å; V351-L437 HydrophobicContact CG1-CD1 4.41Å; V351-L437 HydrophobicContact CG2-CD1 4.46Å; V351-L437 HydrophobicContact CG2-CD2 3.84Å; V351-L437 HydrophobicContact CG2-CG 4.42Å
352	C	89.5	Confident	88.4	Confident	49 Å²	49	26.6 Å²	26.6	33%	0.331	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	-11.5	-170.6	-40.3	0	0	0	0	115.8	D328 C436	D328-C352 PolarHBondContact O-N 2.86Å; C352-C436 WeakPolarHBondContact CA-SG 3.49Å; C352-C436 HydrophobicContact CB-CB 3.77Å; C352-C436 WeakPolarHBondContact CB-SG 3.28Å; C352-C436 WeakPolarHBondContact SG-CB 3.4Å; C352-C436 PolarHBondContact SG-N 2.68Å; C352-C436 CovalentContact SG-SG 2.03Å; C352-C436 PolarHBondContact SG-SG 3.41Å
353	S	88.8	Confident	89.4	Confident	22 Å²	22	25 Å²	25	15%	0.154	13%	0.133	C	C	.	.			trans	-86.2	133.7	176.3	177.6	0	0	0	0	111.8	R319 G350 V351 T355 K356 G357	R319-S353 PolarHBondContact NH1-O 3.31Å; G350-S353 WeakPolarHBondContact O-CB 3.26Å; G350-S353 PolarHBondContact O-N 3.17Å; G350-S353 VanDerWaalsContact O-N 3.13Å; V351-S353 PolarHBondContact O-N 3.12Å; V351-S353 VanDerWaalsContact O-N 3.11Å; S353-T355 VanDerWaalsContact C-N 3.29Å; S353-T355 PolarHBondContact O-N 3.39Å; S353-T355 PolarHBondContact OG-N 3.01Å; S353-T355 PolarHBondContact OG-OG1 2.92Å; S353-K356 PolarHBondContact OG-N 2.91Å; S353-G357 VanDerWaalsContact O-CA 3.31Å; S353-G357 WeakPolarHBondContact O-CA 3.47Å; S353-G357 PolarHBondContact O-N 2.88Å
354	L	87.9	Confident	89.9	Confident	96 Å²	96	25.4 Å²	25.4	50%	0.503	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.3	173.4	-175.6	64.3	0	0	0	112.8	R319 K320	R319-L354 WeakPolarHBondContact CD-O 3.47Å; R319-L354 HydrophobicContact CG-CD1 4.46Å; R319-L354 PolarHBondContact NH1-O 2.84Å; K320-L354 HydrophobicContact CG-CD2 4.23Å
355	T	88.4	Confident	89.9	Confident	68 Å²	68	28.8 Å²	28.8	42%	0.417	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-15.6	-175.8	54.9	0	0	0	0	114.2	M316 K320 S353	M316-T355 VanDerWaalsContact CE-C 3.44Å; M316-T355 WeakPolarHBondContact CE-O 3.38Å; K320-T355 HydrophobicContact CD-CG2 4.16Å; S353-T355 VanDerWaalsContact C-N 3.29Å; S353-T355 PolarHBondContact O-N 3.39Å; S353-T355 PolarHBondContact OG-N 3.01Å; S353-T355 PolarHBondContact OG-OG1 2.92Å
356	K	89.7	Confident	89.6	Confident	94 Å²	94	28.9 Å²	28.9	41%	0.409	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-12	-180	-62.8	-164.2	177.5	-165.2	0	115.5	Y347 G350 S353 G358	Y347-K356 WeakPolarHBondContact CB-O 3.29Å; Y347-K356 HydrophobicContact CD1-CD 4.41Å; Y347-K356 HydrophobicContact CD2-CB 4.13Å; Y347-K356 HydrophobicContact CD2-CG 4.26Å; Y347-K356 HydrophobicContact CG-CB 4.08Å; Y347-K356 HydrophobicContact CG-CD 4.37Å; Y347-K356 HydrophobicContact CG-CG 4.13Å; G350-K356 CarbonylContact O-C 3.57Å; S353-K356 PolarHBondContact OG-N 2.91Å; K356-G358 VanDerWaalsContact C-N 3.29Å; K356-G358 PolarHBondContact O-N 3.24Å
357	G	92.3	Very high	89	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-78.3	71.6	-179.2	0	0	0	0	0	112.7	R319 S329 V330 G350 S353	R319-G357 PolarHBondContact NH1-O 3.14Å; S329-G357 WeakPolarHBondContact CA-O 3.2Å; S329-G357 PolarHBondContact OG-O 3.29Å; V330-G357 PolarHBondContact N-O 3.38Å; G350-G357 WeakPolarHBondContact O-CA 3.02Å; G350-G357 PolarHBondContact O-N 3.41Å; S353-G357 VanDerWaalsContact O-CA 3.31Å; S353-G357 WeakPolarHBondContact O-CA 3.47Å; S353-G357 PolarHBondContact O-N 2.88Å
358	G	93.5	Very high	88.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	169.6	178.4	0	0	0	0	0	114.2	S329 V330 S346 K356 N380	S329-G358 WeakPolarHBondContact OG-CA 3.33Å; V330-G358 WeakPolarHBondContact O-CA 3.31Å; S346-G358 VanDerWaalsContact CB-O 3.28Å; S346-G358 WeakPolarHBondContact CB-O 2.97Å; K356-G358 VanDerWaalsContact C-N 3.29Å; K356-G358 PolarHBondContact O-N 3.24Å; G358-N380 WeakPolarHBondContact CA-OD1 3.45Å; G358-N380 PolarHBondContact N-OD1 3.49Å; G358-N380 PolarHBondContact O-ND2 2.85Å; G358-N380 VanDerWaalsContact O-ND2 3.08Å; G358-N380 PolarHBondContact O-OD1 3.43Å
359	G	94.1	Very high	88.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	167.8	-178	0	0	0	0	0	113	V330 H331 L332 V345	V330-G359 PolarHBondContact O-N 3.46Å; H331-G359 CarbonylContact C-O 3.53Å; H331-G359 VanDerWaalsContact CA-O 3.3Å; H331-G359 WeakPolarHBondContact CA-O 3.43Å; L332-G359 PolarHBondContact N-O 3Å; V345-G359 CarbonylContact O-C 3.58Å; V345-G359 VanDerWaalsContact O-CA 3.22Å; V345-G359 WeakPolarHBondContact O-CA 3.44Å
360	V	94.4	Very high	88.6	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.6	173.5	-178.3	0	0	0	0	108	T311 L312 F315 L332 F338 A344 V345	T311-V360 HydrophobicContact CG2-CG1 3.95Å; T311-V360 HydrophobicContact CG2-CG2 4.16Å; L312-V360 HydrophobicContact CB-CG2 3.93Å; L312-V360 HydrophobicContact CD1-CG2 4.04Å; F315-V360 HydrophobicContact CB-CG2 4.41Å; F315-V360 HydrophobicContact CD1-CG2 4.33Å; L332-V360 HydrophobicContact CB-CB 4.46Å; L332-V360 HydrophobicContact CB-CG1 4.28Å; L332-V360 HydrophobicContact CB-CG2 4.12Å; L332-V360 HydrophobicContact CD2-CG1 4.06Å; L332-V360 HydrophobicContact CD2-CG2 4.24Å; L332-V360 HydrophobicContact CG-CG1 4.43Å; F338-V360 HydrophobicContact CE2-CG1 3.77Å; F338-V360 HydrophobicContact CZ-CG1 3.53Å; A344-V360 WeakPolarHBondContact CA-O 3.43Å; V345-V360 PolarHBondContact N-O 3.02Å; V345-V360 PolarHBondContact O-N 2.91Å
361	N	93.3	Very high	88.6	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.2	-179.4	-43.2	-93.6	0	0	0	108.7	L332 F333 S334 T372 L373 S376	L332-N361 PolarHBondContact O-N 3.01Å; L332-N361 PolarHBondContact O-ND2 2.92Å; L332-N361 VanDerWaalsContact O-ND2 3.07Å; F333-N361 HydrophobicContact CD1-CB 4.04Å; F333-N361 HydrophobicContact CE1-CB 4.28Å; S334-N361 WeakPolarHBondContact CB-O 3.27Å; S334-N361 PolarHBondContact N-O 3.35Å; N361-T372 PolarHBondContact OD1-O 2.95Å; N361-L373 WeakPolarHBondContact OD1-CA 3.34Å; N361-L373 PolarHBondContact OD1-N 2.8Å; N361-S376 PolarHBondContact OD1-OG 2.75Å
362	E	91.1	Very high	88.4	Confident	44 Å²	44	28.4 Å²	28.4	21%	0.206	15%	0.147	C	C	.	.			trans	-82.8	169.7	178.8	83.6	-179.2	164.2	0	0	113.4	S334 Q337 F338 G343 G364	S334-E362 CarbonylContact O-C 3.52Å; Q337-E362 WeakPolarHBondContact CA-OE2 3.44Å; F338-E362 HydrophobicContact CD2-CB 3.64Å; F338-E362 HydrophobicContact CE2-CB 3.85Å; F338-E362 PolarHBondContact N-OE2 2.86Å; G343-E362 WeakPolarHBondContact CA-OE1 3.33Å; G343-E362 PolarHBondContact O-N 2.85Å; E362-G364 PolarHBondContact O-N 2.86Å
363	Y	89.2	Confident	88.6	Confident	66 Å²	66	26 Å²	26	26%	0.259	13%	0.132	S	C	.	.			trans	-76.3	116.2	174.4	-178.5	-91	0	0	0	112.1	M254 K257 S334 N336	M254-Y363 HydrophobicContact CE-CD2 3.73Å; M254-Y363 HydrophobicContact SD-CD2 3.87Å; M254-Y363 HydrophobicContact SD-CE2 4.27Å; K257-Y363 HydrophobicContact CB-CD2 4.27Å; K257-Y363 HydrophobicContact CB-CE2 3.74Å; K257-Y363 HydrophobicContact CD-CD1 4.38Å; K257-Y363 HydrophobicContact CD-CD2 4.29Å; K257-Y363 HydrophobicContact CD-CE1 4.16Å; K257-Y363 HydrophobicContact CD-CE2 4.05Å; K257-Y363 HydrophobicContact CD-CG 4.46Å; K257-Y363 HydrophobicContact CG-CD2 3.92Å; K257-Y363 HydrophobicContact CG-CE2 3.8Å; K257-Y363 HydrophobicContact CG-CG 4.46Å; S334-Y363 WeakPolarHBondContact O-CB 3.38Å; S334-Y363 PolarHBondContact O-N 3.29Å; N336-Y363 PolarHBondContact O-N 3.15Å; N336-Y363 VanDerWaalsContact O-N 3.09Å
364	G	84.9	Confident	88.8	Confident	11 Å²	11	25 Å²	25	11%	0.113	12%	0.124	C	C	.	.			trans	-128	-170.8	165.6	0	0	0	0	0	111.8	E362 E368 M369	E362-G364 PolarHBondContact O-N 2.86Å; G364-E368 WeakPolarHBondContact CA-OE2 3.26Å; G364-M369 VanDerWaalsContact O-CE 3.25Å; G364-M369 WeakPolarHBondContact O-CE 3.21Å
365	K	82.4	Confident	89	Confident	70 Å²	70	20.6 Å²	20.6	30%	0.304	10%	0.101	S	C	.	.			trans	-65.4	160.8	162.4	-63.4	178	-172.9	168.1	0	109.4	D42 N367 E368 M369	D42-K365 IonicContact OD1-NZ 2.61Å; D42-K365 PolarHBondContact OD1-NZ 3.08Å; K365-N367 PolarHBondContact O-N 3.47Å; K365-E368 PolarHBondContact N-OE2 2.69Å; K365-E368 WeakPolarHBondContact O-CA 3.21Å; K365-E368 WeakPolarHBondContact O-CB 3.23Å; K365-E368 PolarHBondContact O-N 3.16Å; K365-M369 PolarHBondContact O-N 3.45Å
366	T	83.3	Confident	89.1	Confident	14 Å²	14	17.4 Å²	17.4	9%	0.086	8%	0.081	C	C	.	.	H	α-helix	trans	-48.4	-43.4	-175.7	-37.9	0	0	0	0	113.6	H160 T271 V272 I275 M369 A370	H160-T366 VanDerWaalsContact CE1-CG2 3.41Å; H160-T366 WeakPolarHBondContact CE1-CG2 3.41Å; H160-T366 PolarHBondContact CE1-OG1 3.32Å; H160-T366 WeakPolarHBondContact NE2-CB 3.32Å; H160-T366 PolarHBondContact NE2-OG1 3.4Å; T271-T366 HydrophobicContact CG2-CG2 3.89Å; V272-T366 HydrophobicContact CG2-CG2 3.77Å; I275-T366 HydrophobicContact CD1-CG2 4.13Å; T366-M369 PolarHBondContact O-N 3.02Å; T366-A370 PolarHBondContact O-N 2.93Å
367	N	78	Confident	89.4	Confident	11 Å²	11	13 Å²	13	6%	0.059	6%	0.062	C	C	.	.	H	α-helix	trans	-78.6	-30	-177.2	-61.7	-84.8	0	0	0	112.4	M171 K365 A370 I371 L413	M171-N367 HydrophobicContact CG-CB 4.4Å; M171-N367 VanDerWaalsContact CG-ND2 3.25Å; M171-N367 WeakPolarHBondContact CG-ND2 3.29Å; M171-N367 HydrophobicContact SD-CB 3.58Å; M171-N367 VanDerWaalsContact SD-CB 3.58Å; M171-N367 PolarHBondContact SD-ND2 3.29Å; K365-N367 PolarHBondContact O-N 3.47Å; N367-A370 PolarHBondContact O-N 3.48Å; N367-I371 WeakPolarHBondContact O-CD1 3.47Å; N367-I371 WeakPolarHBondContact O-CG1 3.48Å; N367-I371 PolarHBondContact O-N 3.28Å; N367-L413 HydrophobicContact CB-CD1 4.24Å
368	E	81.9	Confident	89.4	Confident	27 Å²	27	13 Å²	13	13%	0.126	6%	0.062	C	C	.	.	H	α-helix	trans	-64.1	-46.7	168.2	-73.1	160.8	-179.1	0	0	110	R45 G364 K365 A370 I371 T372 L413	R45-E368 IonicContact CZ-OE1 2.72Å; R45-E368 IonicContact NH1-OE1 2.61Å; R45-E368 PolarHBondContact NH1-OE1 2.91Å; R45-E368 IonicContact NH1-OE2 3.34Å; G364-E368 WeakPolarHBondContact CA-OE2 3.26Å; K365-E368 PolarHBondContact N-OE2 2.69Å; K365-E368 WeakPolarHBondContact O-CA 3.21Å; K365-E368 WeakPolarHBondContact O-CB 3.23Å; K365-E368 PolarHBondContact O-N 3.16Å; E368-A370 VanDerWaalsContact C-N 3.29Å; E368-A370 PolarHBondContact O-N 3.11Å; E368-I371 PolarHBondContact O-N 3.5Å; E368-I371 VanDerWaalsContact O-N 3.16Å; E368-T372 PolarHBondContact O-N 2.86Å; E368-T372 PolarHBondContact O-OG1 2.92Å; E368-L413 HydrophobicContact CG-CD1 4.36Å; E368-L413 HydrophobicContact CG-CD2 3.6Å
369	M	87.9	Confident	89.3	Confident	4 Å²	4	14 Å²	14	2%	0.02	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-31	176.2	-71.2	-174.2	-65.1	0	0	113.3	M254 N268 V272 G364 K365 T366 I371 T372 L373	M254-M369 HydrophobicContact CE-SD 4Å; N268-M369 VanDerWaalsContact ND2-CE 3.35Å; N268-M369 WeakPolarHBondContact ND2-CE 3.34Å; V272-M369 HydrophobicContact CG1-CB 3.94Å; V272-M369 WeakPolarHBondContact CG1-O 3.21Å; V272-M369 HydrophobicContact CG2-CB 3.85Å; V272-M369 HydrophobicContact CG2-CE 4.04Å; G364-M369 VanDerWaalsContact O-CE 3.25Å; G364-M369 WeakPolarHBondContact O-CE 3.21Å; K365-M369 PolarHBondContact O-N 3.45Å; T366-M369 PolarHBondContact O-N 3.02Å; M369-I371 VanDerWaalsContact C-N 3.33Å; M369-T372 WeakPolarHBondContact CA-OG1 3.42Å; M369-T372 PolarHBondContact O-OG1 3.04Å; M369-L373 WeakPolarHBondContact O-CB 3.37Å; M369-L373 PolarHBondContact O-N 3.2Å
370	A	89.9	Confident	89.3	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-69.3	-34.3	175.5	0	0	0	0	0	111.8	V272 I275 T366 N367 E368 A374	V272-A370 HydrophobicContact CG1-CB 4.29Å; I275-A370 HydrophobicContact CB-CB 3.71Å; I275-A370 HydrophobicContact CG2-CB 3.4Å; T366-A370 PolarHBondContact O-N 2.93Å; N367-A370 PolarHBondContact O-N 3.48Å; E368-A370 VanDerWaalsContact C-N 3.29Å; E368-A370 PolarHBondContact O-N 3.11Å; A370-A374 VanDerWaalsContact O-CB 3.28Å; A370-A374 WeakPolarHBondContact O-CB 3.41Å; A370-A374 PolarHBondContact O-N 2.93Å
371	I	87.4	Confident	89.3	Confident	12 Å²	12	14 Å²	14	6%	0.062	7%	0.067	C	C	.	.	H	α-helix	trans	-76	-41.8	176.3	-70.5	162.8	0	0	0	111.2	N367 E368 M369 L373 A374 Q375 L413 P414	N367-I371 WeakPolarHBondContact O-CD1 3.47Å; N367-I371 WeakPolarHBondContact O-CG1 3.48Å; N367-I371 PolarHBondContact O-N 3.28Å; E368-I371 PolarHBondContact O-N 3.5Å; E368-I371 VanDerWaalsContact O-N 3.16Å; M369-I371 VanDerWaalsContact C-N 3.33Å; I371-L373 VanDerWaalsContact C-N 3.33Å; I371-L373 PolarHBondContact O-N 2.88Å; I371-A374 PolarHBondContact O-N 2.87Å; I371-Q375 WeakPolarHBondContact O-CB 3.47Å; I371-Q375 PolarHBondContact O-N 3.36Å; I371-L413 HydrophobicContact CD1-CB 3.56Å; I371-L413 HydrophobicContact CD1-CD1 4.24Å; I371-L413 HydrophobicContact CD1-CD2 4.07Å; I371-L413 HydrophobicContact CD1-CG 4.14Å; I371-P414 WeakPolarHBondContact CD1-O 3.36Å; I371-P414 WeakPolarHBondContact CG1-O 3.35Å; I371-P414 HydrophobicContact CG2-CG 3.75Å
372	T	89.5	Confident	89.1	Confident	7 Å²	7	14.1 Å²	14.1	4%	0.043	7%	0.069	C	C	.	.	H	α-helix	trans	-65.8	-37	174.4	58.7	0	0	0	0	111.4	A344 N361 E368 M369 Q375 S376 V409	A344-T372 HydrophobicContact CB-CG2 4.32Å; A344-T372 WeakPolarHBondContact CB-O 3.11Å; N361-T372 PolarHBondContact OD1-O 2.95Å; E368-T372 PolarHBondContact O-N 2.86Å; E368-T372 PolarHBondContact O-OG1 2.92Å; M369-T372 WeakPolarHBondContact CA-OG1 3.42Å; M369-T372 PolarHBondContact O-OG1 3.04Å; T372-Q375 PolarHBondContact O-N 2.67Å; T372-S376 WeakPolarHBondContact O-CB 3.43Å; T372-S376 PolarHBondContact O-N 3.22Å; T372-S376 PolarHBondContact O-OG 2.69Å; T372-V409 HydrophobicContact CG2-CG2 4.5Å
373	L	93.3	Very high	89.1	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.4	-46.3	168.7	177.9	64.5	0	0	0	111.7	L246 V272 V273 A276 H331 F333 N361 M369 I371 Q375 S376 L377	L246-L373 HydrophobicContact CD2-CD1 4.4Å; L246-L373 HydrophobicContact CD2-CD2 4.42Å; V272-L373 HydrophobicContact CG1-CB 4.34Å; V272-L373 HydrophobicContact CG1-CD2 4.1Å; V273-L373 HydrophobicContact CB-CD2 4.5Å; V273-L373 HydrophobicContact CG2-CD2 3.88Å; A276-L373 HydrophobicContact CB-CD2 3.79Å; A276-L373 HydrophobicContact CB-CG 4.24Å; H331-L373 HydrophobicContact CB-CD1 4.29Å; F333-L373 HydrophobicContact CE1-CB 4.47Å; F333-L373 HydrophobicContact CE1-CD1 4.19Å; F333-L373 HydrophobicContact CZ-CD1 4.45Å; F333-L373 HydrophobicContact CZ-CD2 4.18Å; N361-L373 WeakPolarHBondContact OD1-CA 3.34Å; N361-L373 PolarHBondContact OD1-N 2.8Å; M369-L373 WeakPolarHBondContact O-CB 3.37Å; M369-L373 PolarHBondContact O-N 3.2Å; I371-L373 VanDerWaalsContact C-N 3.33Å; I371-L373 PolarHBondContact O-N 2.88Å; L373-Q375 VanDerWaalsContact C-N 3.3Å; L373-Q375 PolarHBondContact O-N 3.38Å; L373-S376 PolarHBondContact O-N 2.89Å; L373-S376 PolarHBondContact O-OG 3.29Å; L373-L377 HydrophobicContact CD1-CD1 3.77Å; L373-L377 HydrophobicContact CD1-CG 3.99Å; L373-L377 HydrophobicContact CD2-CD1 4.45Å; L373-L377 HydrophobicContact CG-CD1 3.88Å; L373-L377 HydrophobicContact CG-CG 4.46Å; L373-L377 WeakPolarHBondContact O-CB 3.45Å; L373-L377 PolarHBondContact O-N 3.29Å
374	A	92.4	Very high	89.1	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.3	-38	178.3	0	0	0	0	0	112.3	F280 A370 I371 G378 I405	F280-A374 HydrophobicContact CE2-CB 3.87Å; A370-A374 VanDerWaalsContact O-CB 3.28Å; A370-A374 WeakPolarHBondContact O-CB 3.41Å; A370-A374 PolarHBondContact O-N 2.93Å; I371-A374 PolarHBondContact O-N 2.87Å; A374-G378 PolarHBondContact O-N 2.81Å; A374-I405 HydrophobicContact CB-CG2 4.06Å
375	Q	91.3	Very high	88.9	Confident	4 Å²	4	10.5 Å²	10.5	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-68.7	-44.2	176.3	-172.4	176.7	36.6	0	0	112.1	I371 T372 L373 G378 Q379 I405 M406 D407	I371-Q375 WeakPolarHBondContact O-CB 3.47Å; I371-Q375 PolarHBondContact O-N 3.36Å; T372-Q375 PolarHBondContact O-N 2.67Å; L373-Q375 VanDerWaalsContact C-N 3.3Å; L373-Q375 PolarHBondContact O-N 3.38Å; Q375-G378 PolarHBondContact O-N 3.41Å; Q375-Q379 WeakPolarHBondContact O-CG 3.41Å; Q375-Q379 PolarHBondContact O-N 2.03Å; Q375-I405 HydrophobicContact CB-CG2 4.24Å; Q375-I405 WeakPolarHBondContact CG-O 3.47Å; Q375-I405 PolarHBondContact NE2-O 3.17Å; Q375-M406 HydrophobicContact CG-SD 4.34Å; Q375-D407 PolarHBondContact NE2-O 3.43Å
376	S	92.3	Very high	88.8	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70.7	-39	177.6	63.4	0	0	0	0	112.5	H331 S346 N361 T372 L373 Q379 N380	H331-S376 PolarHBondContact CE1-OG 2.72Å; H331-S376 VanDerWaalsContact CE1-OG 3.3Å; H331-S376 PolarHBondContact ND1-OG 3.49Å; H331-S376 VanDerWaalsContact ND1-OG 3.07Å; S346-S376 PolarHBondContact OG-O 3.39Å; N361-S376 PolarHBondContact OD1-OG 2.75Å; T372-S376 WeakPolarHBondContact O-CB 3.43Å; T372-S376 PolarHBondContact O-N 3.22Å; T372-S376 PolarHBondContact O-OG 2.69Å; L373-S376 PolarHBondContact O-N 2.89Å; L373-S376 PolarHBondContact O-OG 3.29Å; S376-Q379 PolarHBondContact O-N 3.25Å; S376-N380 PolarHBondContact O-N 2.96Å
377	L	94.6	Very high	88.5	Confident	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-65.2	-41.4	171.3	-79.3	172.3	0	0	0	111.6	I244 L246 F280 I288 H331 L373 Q379 N380 I381	I244-L377 HydrophobicContact CG2-CD2 4.13Å; L246-L377 HydrophobicContact CD1-CD2 4.45Å; L246-L377 HydrophobicContact CD2-CD1 4.47Å; F280-L377 HydrophobicContact CE1-CB 3.98Å; F280-L377 HydrophobicContact CE2-CB 4.45Å; F280-L377 HydrophobicContact CZ-CB 3.55Å; I288-L377 HydrophobicContact CD1-CD1 3.54Å; I288-L377 HydrophobicContact CG1-CD1 4.23Å; I288-L377 HydrophobicContact CG2-CD1 4.37Å; H331-L377 WeakPolarHBondContact NE2-CD2 3.2Å; L373-L377 HydrophobicContact CD1-CD1 3.77Å; L373-L377 HydrophobicContact CD1-CG 3.99Å; L373-L377 HydrophobicContact CD2-CD1 4.45Å; L373-L377 HydrophobicContact CG-CD1 3.88Å; L373-L377 HydrophobicContact CG-CG 4.46Å; L373-L377 WeakPolarHBondContact O-CB 3.45Å; L373-L377 PolarHBondContact O-N 3.29Å; L377-Q379 PolarHBondContact O-N 3.1Å; L377-N380 PolarHBondContact O-N 3.17Å; L377-N380 VanDerWaalsContact O-N 3.08Å; L377-I381 WeakPolarHBondContact O-CG1 3.31Å; L377-I381 PolarHBondContact O-N 2.93Å
378	G	93.3	Very high	88.3	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-54.1	-50.3	174.7	0	0	0	0	0	111.9	A374 Q375 I381 G382 I383	A374-G378 PolarHBondContact O-N 2.81Å; Q375-G378 PolarHBondContact O-N 3.41Å; G378-I381 CarbonylContact O-C 3.44Å; G378-I381 VanDerWaalsContact O-CG1 3.23Å; G378-I381 WeakPolarHBondContact O-CG1 3.45Å; G378-I381 PolarHBondContact O-N 3.38Å; G378-G382 PolarHBondContact O-N 2.97Å; G378-I383 VanDerWaalsContact O-CB 3.28Å; G378-I383 WeakPolarHBondContact O-CB 3.39Å; G378-I383 PolarHBondContact O-N 2.89Å
379	Q	91.9	Very high	88.2	Confident	21 Å²	21	12.9 Å²	12.9	10%	0.098	6%	0.062	C	C	.	.	H	α-helix	trans	-55.7	-50	171.2	-74.7	169.6	6.7	0	0	112	S346 T348 G349 Q375 S376 L377 I381 G382 I383 M406	S346-Q379 VanDerWaalsContact N-OE1 3.09Å; S346-Q379 PolarHBondContact O-OE1 3.26Å; S346-Q379 WeakPolarHBondContact OG-CB 3.42Å; S346-Q379 PolarHBondContact OG-OE1 3.4Å; T348-Q379 CarbonylContact C-O 3.55Å; T348-Q379 VanDerWaalsContact CA-O 3.3Å; T348-Q379 WeakPolarHBondContact CA-O 3.07Å; G349-Q379 PolarHBondContact N-O 3.1Å; Q375-Q379 WeakPolarHBondContact O-CG 3.41Å; Q375-Q379 PolarHBondContact O-N 2.03Å; S376-Q379 PolarHBondContact O-N 3.25Å; L377-Q379 PolarHBondContact O-N 3.1Å; Q379-I381 VanDerWaalsContact C-N 3.29Å; Q379-I381 PolarHBondContact O-N 3.49Å; Q379-G382 PolarHBondContact O-N 2.96Å; Q379-I383 WeakPolarHBondContact CA-O 3.3Å; Q379-M406 HydrophobicContact CG-CE 3.89Å
380	N	92.9	Very high	87.7	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-34.7	178.9	-76.2	156	0	0	0	113.6	S329 H331 S346 Y347 G349 G350 V351 G358 S376 L377 G382	S329-N380 PolarHBondContact OG-OD1 3.19Å; S329-N380 VanDerWaalsContact OG-OD1 3.14Å; H331-N380 PolarHBondContact CE1-OD1 2.88Å; H331-N380 VanDerWaalsContact CE1-OD1 3.27Å; H331-N380 PolarHBondContact NE2-OD1 3.1Å; S346-N380 WeakPolarHBondContact CB-ND2 3.49Å; Y347-N380 PolarHBondContact O-ND2 3.37Å; G349-N380 CarbonylContact C-O 3.5Å; G349-N380 VanDerWaalsContact CA-O 3.28Å; G349-N380 WeakPolarHBondContact CA-O 3.39Å; G350-N380 PolarHBondContact N-O 2.84Å; V351-N380 HydrophobicContact CB-CB 4.46Å; V351-N380 WeakPolarHBondContact CB-O 3.42Å; V351-N380 WeakPolarHBondContact CG1-O 3.33Å; V351-N380 PolarHBondContact N-O 2.85Å; G358-N380 WeakPolarHBondContact CA-OD1 3.45Å; G358-N380 PolarHBondContact N-OD1 3.49Å; G358-N380 PolarHBondContact O-ND2 2.85Å; G358-N380 VanDerWaalsContact O-ND2 3.08Å; G358-N380 PolarHBondContact O-OD1 3.43Å; S376-N380 PolarHBondContact O-N 2.96Å; L377-N380 PolarHBondContact O-N 3.17Å; L377-N380 VanDerWaalsContact O-N 3.08Å; N380-G382 PolarHBondContact O-N 3.07Å
381	I	93.8	Very high	86.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	14.2	174	68.6	174.3	0	0	0	113.9	I244 F280 L284 V351 L377 G378 Q379 I383 Y425 F428 L437	I244-I381 HydrophobicContact CD1-CG2 4.07Å; F280-I381 HydrophobicContact CD1-CD1 4.49Å; F280-I381 HydrophobicContact CE1-CD1 3.77Å; F280-I381 HydrophobicContact CZ-CD1 4.48Å; L284-I381 HydrophobicContact CD1-CD1 3.87Å; V351-I381 HydrophobicContact CB-CG2 4.44Å; V351-I381 HydrophobicContact CG1-CG2 4.32Å; L377-I381 WeakPolarHBondContact O-CG1 3.31Å; L377-I381 PolarHBondContact O-N 2.93Å; G378-I381 CarbonylContact O-C 3.44Å; G378-I381 VanDerWaalsContact O-CG1 3.23Å; G378-I381 WeakPolarHBondContact O-CG1 3.45Å; G378-I381 PolarHBondContact O-N 3.38Å; Q379-I381 VanDerWaalsContact C-N 3.29Å; Q379-I381 PolarHBondContact O-N 3.49Å; I381-I383 HydrophobicContact CD1-CD1 3.92Å; I381-I383 HydrophobicContact CD1-CG1 4.43Å; I381-I383 HydrophobicContact CG1-CD1 4.12Å; I381-I383 HydrophobicContact CG1-CG1 4.14Å; I381-Y425 HydrophobicContact CB-CD2 4.15Å; I381-Y425 HydrophobicContact CB-CE2 4.03Å; I381-Y425 HydrophobicContact CD1-CD2 3.75Å; I381-Y425 HydrophobicContact CD1-CE2 3.75Å; I381-Y425 HydrophobicContact CD1-CG 4.41Å; I381-Y425 HydrophobicContact CG1-CD2 4.01Å; I381-Y425 HydrophobicContact CG1-CE2 4.19Å; I381-F428 WeakPolarHBondContact O-CD1 3.45Å; I381-F428 VanDerWaalsContact O-CG 3.29Å; I381-F428 WeakPolarHBondContact O-CG 3.41Å; I381-L437 HydrophobicContact CG2-CD1 4.23Å
382	G	89.9	Confident	86.4	Confident	5 Å²	5	27 Å²	27	5%	0.052	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	4.9	170.4	0	0	0	0	0	115.7	G378 Q379 N380 F384	G378-G382 PolarHBondContact O-N 2.97Å; Q379-G382 PolarHBondContact O-N 2.96Å; N380-G382 PolarHBondContact O-N 3.07Å; G382-F384 WeakPolarHBondContact O-CD1 3.46Å
383	I	92.1	Very high	85.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.			trans	-77.1	130.4	174.8	-55.7	175.6	0	0	0	109.4	L284 G378 Q379 I381 M406 F417 N421	L284-I383 HydrophobicContact CD1-CD1 3.85Å; L284-I383 HydrophobicContact CD2-CD1 4.28Å; G378-I383 VanDerWaalsContact O-CB 3.28Å; G378-I383 WeakPolarHBondContact O-CB 3.39Å; G378-I383 PolarHBondContact O-N 2.89Å; Q379-I383 WeakPolarHBondContact CA-O 3.3Å; I381-I383 HydrophobicContact CD1-CD1 3.92Å; I381-I383 HydrophobicContact CD1-CG1 4.43Å; I381-I383 HydrophobicContact CG1-CD1 4.12Å; I381-I383 HydrophobicContact CG1-CG1 4.14Å; I383-M406 HydrophobicContact CB-CE 4.24Å; I383-M406 HydrophobicContact CB-SD 4.41Å; I383-M406 HydrophobicContact CG2-CE 3.92Å; I383-M406 HydrophobicContact CG2-CG 3.69Å; I383-M406 HydrophobicContact CG2-SD 3.91Å; I383-M406 WeakPolarHBondContact O-CE 3.39Å; I383-F417 HydrophobicContact CD1-CD1 4.21Å; I383-F417 HydrophobicContact CD1-CE1 4.05Å; I383-N421 HydrophobicContact CG2-CB 3.51Å; I383-N421 WeakPolarHBondContact CG2-ND2 3.37Å
384	F	87.3	Confident	85.2	Confident	15 Å²	15	33.5 Å²	33.5	7%	0.066	17%	0.172	C	C	.	.			trans	-139.1	158.4	169	58	-87.8	0	0	0	110.3	T348 G382 D386 N421 E424 Y559 R616 L617	T348-F384 HydrophobicContact CG2-CD1 4.32Å; G382-F384 WeakPolarHBondContact O-CD1 3.46Å; F384-D386 HydrophobicContact CE2-CB 4.29Å; F384-D386 PolarHBondContact O-N 3.34Å; F384-N421 PolarHBondContact O-ND2 3.47Å; F384-E424 HydrophobicContact CE1-CG 4.4Å; F384-E424 HydrophobicContact CZ-CG 4.31Å; F384-Y559 HydrophobicContact CE1-CE2 4.03Å; F384-R616 HydrophobicContact CE2-CB 4.17Å; F384-L617 HydrophobicContact CD2-CB 3.83Å; F384-L617 HydrophobicContact CE2-CB 4.21Å; F384-L617 HydrophobicContact CE2-CD2 4.47Å; F384-L617 HydrophobicContact CG-CB 4.29Å
385	S	82.2	Confident	84.7	Confident	29 Å²	29	34 Å²	34	20%	0.203	18%	0.175	C	C	.	.			trans	-82.3	106.7	173.2	-70.8	0	0	0	0	109.9	K387 M406	S385-K387 PolarHBondContact O-N 2.96Å; S385-M406 VanDerWaalsContact OG-C 3.25Å; S385-M406 WeakPolarHBondContact OG-CB 3.27Å; S385-M406 PolarHBondContact OG-O 3.26Å
386	D	79.4	Confident	84.1	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.037	20%	0.203	C	C	.	.			trans	-68.3	94.5	177.5	-172.8	-33.2	0	0	0	110.3	F384 K388 R389 I390 R616	F384-D386 HydrophobicContact CE2-CB 4.29Å; F384-D386 PolarHBondContact O-N 3.34Å; D386-K388 PolarHBondContact O-N 3.22Å; D386-K388 VanDerWaalsContact O-N 3.1Å; D386-K388 WeakPolarHBondContact OD1-CA 3.36Å; D386-K388 WeakPolarHBondContact OD1-CB 3.43Å; D386-K388 PolarHBondContact OD1-N 2.91Å; D386-R389 HydrophobicContact CB-CB 4.05Å; D386-R389 HydrophobicContact CB-CG 4.14Å; D386-R389 VanDerWaalsContact CG-CG 3.47Å; D386-R389 PolarHBondContact O-N 3.34Å; D386-R389 VanDerWaalsContact O-N 3.15Å; D386-R389 PolarHBondContact OD1-N 2.94Å; D386-R389 WeakPolarHBondContact OD2-CD 3.3Å; D386-R389 WeakPolarHBondContact OD2-CG 3.31Å; D386-I390 VanDerWaalsContact O-CG1 3.31Å; D386-I390 WeakPolarHBondContact O-CG1 3.3Å; D386-I390 PolarHBondContact O-N 3Å; D386-R616 WeakPolarHBondContact CA-O 3.32Å; D386-R616 IonicContact OD2-CZ 3.71Å; D386-R616 IonicContact OD2-NE 2.83Å; D386-R616 PolarHBondContact OD2-NE 3.29Å; D386-R616 IonicContact OD2-NH2 3.08Å; D386-R616 PolarHBondContact OD2-NH2 3.1Å
387	K	76.6	Confident	83.4	Confident	71 Å²	71	41.6 Å²	41.6	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-53.2	-34.8	-177.9	-69.3	178.8	177.7	170.9	0	111.7	S385 L391 R616 G618 D619	S385-K387 PolarHBondContact O-N 2.96Å; K387-L391 WeakPolarHBondContact O-CB 3.41Å; K387-L391 WeakPolarHBondContact O-CD1 3.16Å; K387-L391 WeakPolarHBondContact O-CG 3.32Å; K387-L391 PolarHBondContact O-N 2.91Å; K387-R616 PolarHBondContact N-O 3.1Å; K387-G618 PolarHBondContact NZ-O 3.2Å; K387-D619 IonicContact NZ-OD1 3.73Å; K387-D619 PolarHBondContact NZ-OD1 3.05Å; K387-D619 IonicContact NZ-OD2 3.38Å; K387-D619 PolarHBondContact NZ-OD2 3.44Å
388	K	75.4	Confident	82.2	Confident	46 Å²	46	48.4 Å²	48.4	20%	0.2	25%	0.248	C	C	.	.	H	α-helix	trans	-74.1	-45.9	-178.7	177.8	-166.5	-179.9	-174.9	0	111.7	D386 I390 L391 N392 W561 S612 R616	D386-K388 PolarHBondContact O-N 3.22Å; D386-K388 VanDerWaalsContact O-N 3.1Å; D386-K388 WeakPolarHBondContact OD1-CA 3.36Å; D386-K388 WeakPolarHBondContact OD1-CB 3.43Å; D386-K388 PolarHBondContact OD1-N 2.91Å; K388-I390 VanDerWaalsContact C-N 3.29Å; K388-I390 PolarHBondContact O-N 2.84Å; K388-L391 PolarHBondContact O-N 3.34Å; K388-N392 WeakPolarHBondContact O-CB 3Å; K388-N392 PolarHBondContact O-N 3.08Å; K388-W561 PolarHBondContact NZ-O 2.71Å; K388-S612 WeakPolarHBondContact CD-OG 3.42Å; K388-S612 WeakPolarHBondContact CE-OG 3.41Å; K388-S612 PolarHBondContact NZ-OG 3.34Å; K388-R616 HydrophobicContact CD-CG 4.48Å
389	R	78.1	Confident	80.9	Confident	48 Å²	48	51 Å²	51	18%	0.181	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-33.8	175.5	-66.8	176.3	74.9	-174.3	-0.4	111.7	D386 G393 E394 C395 C420 E423 E424	D386-R389 HydrophobicContact CB-CB 4.05Å; D386-R389 HydrophobicContact CB-CG 4.14Å; D386-R389 VanDerWaalsContact CG-CG 3.47Å; D386-R389 PolarHBondContact O-N 3.34Å; D386-R389 VanDerWaalsContact O-N 3.15Å; D386-R389 PolarHBondContact OD1-N 2.94Å; D386-R389 WeakPolarHBondContact OD2-CD 3.3Å; D386-R389 WeakPolarHBondContact OD2-CG 3.31Å; R389-G393 PolarHBondContact O-N 3.37Å; R389-E394 HydrophobicContact CB-CB 4.18Å; R389-E394 PolarHBondContact O-N 3.48Å; R389-C395 HydrophobicContact CB-CB 4.14Å; R389-C395 WeakPolarHBondContact CB-SG 3.39Å; R389-C395 PolarHBondContact NE-SG 2.98Å; R389-C395 VanDerWaalsContact NE-SG 3.36Å; R389-C395 PolarHBondContact O-N 2.86Å; R389-C395 VanDerWaalsContact O-N 3.13Å; R389-C420 VanDerWaalsContact CZ-SG 3.58Å; R389-C420 PolarHBondContact NH2-SG 3.29Å; R389-C420 VanDerWaalsContact NH2-SG 3.41Å; R389-E423 IonicContact CZ-OE2 2.69Å; R389-E423 IonicContact NH1-OE2 3.82Å; R389-E423 PolarHBondContact NH1-OE2 3.03Å; R389-E423 IonicContact NH2-OE2 2.84Å; R389-E423 PolarHBondContact NH2-OE2 2.94Å; R389-E424 IonicContact NH1-OE1 3.45Å; R389-E424 PolarHBondContact NH1-OE1 2.87Å
390	I	78.4	Confident	79.3	Confident	74 Å²	74	60.6 Å²	60.6	38%	0.379	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-49.2	173.1	-66.4	165.4	0	0	0	110.8	D386 K388 N392 G393 C395	D386-I390 VanDerWaalsContact O-CG1 3.31Å; D386-I390 WeakPolarHBondContact O-CG1 3.3Å; D386-I390 PolarHBondContact O-N 3Å; K388-I390 VanDerWaalsContact C-N 3.29Å; K388-I390 PolarHBondContact O-N 2.84Å; I390-N392 VanDerWaalsContact C-N 3.31Å; I390-N392 PolarHBondContact O-N 2.89Å; I390-G393 WeakPolarHBondContact O-CA 3.5Å; I390-G393 PolarHBondContact O-N 3.01Å; I390-C395 HydrophobicContact CG1-CB 4.09Å
391	L	73.7	Confident	77.4	Confident	139 Å²	139	67 Å²	67	73%	0.728	32%	0.321	S	S	*	.	H	α-helix	trans	-60.9	-35.9	177.1	-76	167.6	0	0	0	113.3	K387 K388 G393	K387-L391 WeakPolarHBondContact O-CB 3.41Å; K387-L391 WeakPolarHBondContact O-CD1 3.16Å; K387-L391 WeakPolarHBondContact O-CG 3.32Å; K387-L391 PolarHBondContact O-N 2.91Å; K388-L391 PolarHBondContact O-N 3.34Å; L391-G393 PolarHBondContact O-N 3.44Å
392	N	76.4	Confident	75.8	Confident	100 Å²	100	67.9 Å²	67.9	54%	0.535	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.4	173.7	-71.7	-1.2	0	0	0	113.3	K388 I390 E394	K388-N392 WeakPolarHBondContact O-CB 3Å; K388-N392 PolarHBondContact O-N 3.08Å; I390-N392 VanDerWaalsContact C-N 3.31Å; I390-N392 PolarHBondContact O-N 2.89Å; N392-E394 HydrophobicContact CB-CG 3.9Å; N392-E394 PolarHBondContact ND2-OE1 2.99Å; N392-E394 PolarHBondContact O-N 2.85Å
393	G	77.7	Confident	75	Confident	23 Å²	23	68.6 Å²	68.6	24%	0.237	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	20.9	-171.6	0	0	0	0	0	113.9	R389 I390 L391 K396	R389-G393 PolarHBondContact O-N 3.37Å; I390-G393 WeakPolarHBondContact O-CA 3.5Å; I390-G393 PolarHBondContact O-N 3.01Å; L391-G393 PolarHBondContact O-N 3.44Å; G393-K396 WeakPolarHBondContact O-CE 3.49Å; G393-K396 PolarHBondContact O-NZ 3.17Å
394	E	79.7	Confident	74.6	Confident	121 Å²	121	68.8 Å²	68.8	57%	0.565	34%	0.337	S	S	*	.	S	Bend	trans	-75.2	-42.5	172.3	-69	170.3	-149.7	0	0	110.4	R389 N392	R389-E394 HydrophobicContact CB-CB 4.18Å; R389-E394 PolarHBondContact O-N 3.48Å; N392-E394 HydrophobicContact CB-CG 3.9Å; N392-E394 PolarHBondContact ND2-OE1 2.99Å; N392-E394 PolarHBondContact O-N 2.85Å
395	C	82.4	Confident	74.4	Confident	10 Å²	10	68.1 Å²	68.1	7%	0.068	33%	0.334	C	S	.	.	S	Bend	trans	-98.9	127.1	168.9	-60.9	0	0	0	0	109.3	R389 I390 C420	R389-C395 HydrophobicContact CB-CB 4.14Å; R389-C395 WeakPolarHBondContact CB-SG 3.39Å; R389-C395 PolarHBondContact NE-SG 2.98Å; R389-C395 VanDerWaalsContact NE-SG 3.36Å; R389-C395 PolarHBondContact O-N 2.86Å; R389-C395 VanDerWaalsContact O-N 3.13Å; I390-C395 HydrophobicContact CG1-CB 4.09Å; C395-C420 WeakPolarHBondContact CA-SG 3.08Å; C395-C420 HydrophobicContact CB-CB 3.9Å; C395-C420 WeakPolarHBondContact CB-SG 3.24Å; C395-C420 WeakPolarHBondContact SG-CB 3.44Å; C395-C420 CovalentContact SG-SG 2.03Å; C395-C420 PolarHBondContact SG-SG 3.2Å
396	K	78.8	Confident	74.5	Confident	138 Å²	138	67.4 Å²	67.4	60%	0.6	33%	0.328	S	S	*	.			trans	-132.1	138.2	176	-69.7	-179.1	175.4	103.4	0	108.5	G393	G393-K396 WeakPolarHBondContact O-CE 3.49Å; G393-K396 PolarHBondContact O-NZ 3.17Å
397	C	76.8	Confident	74.3	Confident	26 Å²	26	69.6 Å²	69.6	18%	0.176	34%	0.34	C	S	.	.			trans	-81.8	121.7	161.6	-167.9	0	0	0	0	107.9	D399 C404 T418	C397-D399 VanDerWaalsContact C-N 3.29Å; C397-C404 VanDerWaalsContact CA-SG 3.6Å; C397-C404 HydrophobicContact CB-CB 3.88Å; C397-C404 WeakPolarHBondContact CB-SG 3.47Å; C397-C404 VanDerWaalsContact SG-CA 3.6Å; C397-C404 WeakPolarHBondContact SG-CB 3.3Å; C397-C404 PolarHBondContact SG-N 3.42Å; C397-C404 CovalentContact SG-SG 2.05Å; C397-C404 PolarHBondContact SG-SG 3.44Å; C397-T418 HydrophobicContact CB-CG2 4.31Å
398	D	69.4	Low	73.7	Confident	143 Å²	143	70.6 Å²	70.6	77%	0.765	35%	0.349	S	S	*	.	S	Bend	trans	-63.7	-40.3	176.4	-70.3	-28.7	0	0	0	110.8	R400	D398-R400 VanDerWaalsContact C-N 3.28Å; D398-R400 PolarHBondContact O-N 2.96Å
399	D	65.9	Low	73	Confident	56 Å²	56	70.6 Å²	70.6	30%	0.299	35%	0.352	S	S	.	.			trans	-79.1	65.5	179.7	-72.5	-43.7	0	0	0	111.7	C397 W401 A402 G403 K416	C397-D399 VanDerWaalsContact C-N 3.29Å; D399-W401 PolarHBondContact O-N 3.3Å; D399-A402 HydrophobicContact CB-CB 4.26Å; D399-A402 PolarHBondContact O-N 2.93Å; D399-G403 PolarHBondContact O-N 3.5Å; D399-K416 IonicContact OD2-NZ 3.33Å; D399-K416 PolarHBondContact OD2-NZ 2.94Å
400	R	58	Low	71.9	Confident	222 Å²	222	70.6 Å²	70.6	84%	0.838	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-20.6	-175.1	-71.4	-169.5	-180	-166.4	2.3	117.1	D398	D398-R400 VanDerWaalsContact C-N 3.28Å; D398-R400 PolarHBondContact O-N 2.96Å
401	W	54.4	Low	70.5	Confident	133 Å²	133	71.5 Å²	71.5	50%	0.504	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-39.4	177.7	-92.4	-21.9	0	0	0	113.5	A193 L198 D399 G403 Y412	A193-W401 HydrophobicContact CB-CE3 4.16Å; L198-W401 HydrophobicContact CD1-CH2 3.26Å; L198-W401 HydrophobicContact CD1-CZ2 3.6Å; L198-W401 HydrophobicContact CD1-CZ3 3.98Å; D399-W401 PolarHBondContact O-N 3.3Å; W401-G403 VanDerWaalsContact C-N 3.35Å; W401-Y412 WeakPolarHBondContact O-CB 3.49Å; W401-Y412 VanDerWaalsContact O-CD2 3.22Å; W401-Y412 WeakPolarHBondContact O-CD2 3.36Å
402	A	60.3	Low	69.8	Low	20 Å²	20	67.9 Å²	67.9	17%	0.165	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.9	176.9	0	0	0	0	0	112.2	D399 L413 P414	D399-A402 HydrophobicContact CB-CB 4.26Å; D399-A402 PolarHBondContact O-N 2.93Å; A402-L413 CarbonylContact O-C 3.6Å; A402-P414 WeakPolarHBondContact O-CA 3.49Å; A402-P414 WeakPolarHBondContact O-CB 3.46Å
403	G	73.2	Confident	69.1	Low	19 Å²	19	64.6 Å²	64.6	20%	0.196	33%	0.328	C	S	.	.			trans	73.5	175.8	-169.5	0	0	0	0	0	112.1	D399 W401 P414	D399-G403 PolarHBondContact O-N 3.5Å; W401-G403 VanDerWaalsContact C-N 3.35Å; G403-P414 VanDerWaalsContact C-CB 3.41Å; G403-P414 WeakPolarHBondContact O-CA 3.38Å; G403-P414 WeakPolarHBondContact O-CB 3.27Å
404	C	82.6	Confident	68.7	Low	5 Å²	5	63.6 Å²	63.6	3%	0.034	32%	0.318	C	S	.	.			trans	-109.7	156	175.6	-77.9	0	0	0	0	110.4	C397 M406 D407 P414 K416 T418	C397-C404 VanDerWaalsContact CA-SG 3.6Å; C397-C404 HydrophobicContact CB-CB 3.88Å; C397-C404 WeakPolarHBondContact CB-SG 3.47Å; C397-C404 VanDerWaalsContact SG-CA 3.6Å; C397-C404 WeakPolarHBondContact SG-CB 3.3Å; C397-C404 PolarHBondContact SG-N 3.42Å; C397-C404 CovalentContact SG-SG 2.05Å; C397-C404 PolarHBondContact SG-SG 3.44Å; C404-M406 PolarHBondContact O-N 3.46Å; C404-D407 PolarHBondContact N-OD2 3.07Å; C404-D407 WeakPolarHBondContact O-CB 3.36Å; C404-D407 PolarHBondContact O-N 3.05Å; C404-P414 WeakPolarHBondContact O-CB 3.38Å; C404-K416 CarbonylContact C-O 3.49Å; C404-K416 VanDerWaalsContact CA-O 3.29Å; C404-K416 WeakPolarHBondContact CA-O 3.39Å; C404-K416 WeakPolarHBondContact CB-O 3.48Å; C404-T418 HydrophobicContact CB-CG2 3.8Å; C404-T418 WeakPolarHBondContact SG-CG2 3.02Å
405	I	84.1	Confident	68.1	Low	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.3	-165.9	-69.3	165.2	0	0	0	112.9	I279 A374 Q375 K416 F417	I279-I405 HydrophobicContact CG2-CD1 3.5Å; I279-I405 VanDerWaalsContact CG2-CD1 3.5Å; A374-I405 HydrophobicContact CB-CG2 4.06Å; Q375-I405 HydrophobicContact CB-CG2 4.24Å; Q375-I405 WeakPolarHBondContact CG-O 3.47Å; Q375-I405 PolarHBondContact NE2-O 3.17Å; I405-K416 PolarHBondContact N-O 3.36Å; I405-F417 HydrophobicContact CB-CD1 4.14Å; I405-F417 HydrophobicContact CB-CE1 3.96Å; I405-F417 HydrophobicContact CB-CZ 4.33Å; I405-F417 HydrophobicContact CD1-CD2 3.92Å; I405-F417 HydrophobicContact CD1-CE1 4.39Å; I405-F417 HydrophobicContact CD1-CE2 3.79Å; I405-F417 HydrophobicContact CD1-CG 4.28Å; I405-F417 HydrophobicContact CD1-CZ 4.05Å; I405-F417 HydrophobicContact CG2-CD1 4.37Å; I405-F417 HydrophobicContact CG2-CE1 3.69Å; I405-F417 HydrophobicContact CG2-CZ 3.86Å
406	M	83.6	Confident	67.9	Low	15 Å²	15	63.4 Å²	63.4	7%	0.074	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.3	-178.1	-57.8	-60.8	-58	0	0	113.8	Q375 Q379 I383 S385 C404 F417	Q375-M406 HydrophobicContact CG-SD 4.34Å; Q379-M406 HydrophobicContact CG-CE 3.89Å; I383-M406 HydrophobicContact CB-CE 4.24Å; I383-M406 HydrophobicContact CB-SD 4.41Å; I383-M406 HydrophobicContact CG2-CE 3.92Å; I383-M406 HydrophobicContact CG2-CG 3.69Å; I383-M406 HydrophobicContact CG2-SD 3.91Å; I383-M406 WeakPolarHBondContact O-CE 3.39Å; S385-M406 VanDerWaalsContact OG-C 3.25Å; S385-M406 WeakPolarHBondContact OG-CB 3.27Å; S385-M406 PolarHBondContact OG-O 3.26Å; C404-M406 PolarHBondContact O-N 3.46Å; M406-F417 HydrophobicContact CG-CD1 3.85Å; M406-F417 HydrophobicContact CG-CE1 3.9Å; M406-F417 HydrophobicContact SD-CD1 4.37Å; M406-F417 HydrophobicContact SD-CE1 3.8Å
407	D	74.5	Confident	68.3	Low	53 Å²	53	57.3 Å²	57.3	28%	0.283	29%	0.287	S	S	.	.	S	Bend	trans	-76	166.1	168.7	-61.9	-39.5	0	0	0	110.3	Q375 C404 V409	Q375-D407 PolarHBondContact NE2-O 3.43Å; C404-D407 PolarHBondContact N-OD2 3.07Å; C404-D407 WeakPolarHBondContact O-CB 3.36Å; C404-D407 PolarHBondContact O-N 3.05Å; D407-V409 PolarHBondContact O-N 3.22Å
408	D	65.3	Low	68.8	Low	92 Å²	92	57 Å²	57	49%	0.492	28%	0.284	S	S	.	.			trans	-64.2	134.5	170.8	-66.2	-40.7	0	0	0	109.2	R342 G410	R342-D408 IonicContact NE-OD1 3.1Å; D408-G410 PolarHBondContact O-N 2.96Å
409	V	59.1	Low	69.7	Low	45 Å²	45	56.6 Å²	56.6	27%	0.273	28%	0.282	S	S	.	.			trans	-64.6	107	-171.5	-177.7	0	0	0	0	110.3	T372 D407	T372-V409 HydrophobicContact CG2-CG2 4.5Å; D407-V409 PolarHBondContact O-N 3.22Å
410	G	54.9	Low	70.8	Confident	49 Å²	49	54.5 Å²	54.5	51%	0.505	27%	0.272	S	S	.	.			trans	-78.4	-170.4	-177.7	0	0	0	0	0	113.9	D408 Y412	D408-G410 PolarHBondContact O-N 2.96Å; G410-Y412 PolarHBondContact O-N 3.45Å
411	F	50.5	Low	72.3	Confident	93 Å²	93	44.2 Å²	44.2	41%	0.408	23%	0.233	S	C	.	.	S	Bend	trans	-67.1	-24.2	174.7	-173.6	-106.5	0	0	0	113.3	G44 R45	G44-F411 WeakPolarHBondContact O-CE1 3.15Å; G44-F411 WeakPolarHBondContact O-CZ 2.98Å; R45-F411 HydrophobicContact CG-CD2 4.09Å; R45-F411 HydrophobicContact CG-CE2 3.8Å; R45-F411 HydrophobicContact CG-CZ 4.05Å
412	Y	58.1	Low	74	Confident	63 Å²	63	39.5 Å²	39.5	25%	0.247	22%	0.22	C	C	.	.	S	Bend	trans	-107.2	151.9	172.6	-59.4	-70.7	0	0	0	109.9	V47 A193 W401 G410 P414	V47-Y412 HydrophobicContact CG2-CE1 4.46Å; A193-Y412 HydrophobicContact CB-CE1 4.28Å; W401-Y412 WeakPolarHBondContact O-CB 3.49Å; W401-Y412 VanDerWaalsContact O-CD2 3.22Å; W401-Y412 WeakPolarHBondContact O-CD2 3.36Å; G410-Y412 PolarHBondContact O-N 3.45Å; Y412-P414 WeakPolarHBondContact O-CD 3.34Å
413	L	62	Low	75.4	Confident	30 Å²	30	43 Å²	43	16%	0.157	23%	0.232	C	C	.	.			trans	-85.9	116.4	-174.1	-66.4	-174.1	0	0	0	111.6	N367 E368 I371 A402 K415	N367-L413 HydrophobicContact CB-CD1 4.24Å; E368-L413 HydrophobicContact CG-CD1 4.36Å; E368-L413 HydrophobicContact CG-CD2 3.6Å; I371-L413 HydrophobicContact CD1-CB 3.56Å; I371-L413 HydrophobicContact CD1-CD1 4.24Å; I371-L413 HydrophobicContact CD1-CD2 4.07Å; I371-L413 HydrophobicContact CD1-CG 4.14Å; A402-L413 CarbonylContact O-C 3.6Å; L413-K415 VanDerWaalsContact O-CG 3.23Å; L413-K415 WeakPolarHBondContact O-CG 3.26Å
414	P	68.4	Low	76.3	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.019	23%	0.225	C	C	.	.			trans	-73.2	148.9	178.1	30.4	-36	0	0	0	111.4	I371 A402 G403 C404 Y412	I371-P414 WeakPolarHBondContact CD1-O 3.36Å; I371-P414 WeakPolarHBondContact CG1-O 3.35Å; I371-P414 HydrophobicContact CG2-CG 3.75Å; A402-P414 WeakPolarHBondContact O-CA 3.49Å; A402-P414 WeakPolarHBondContact O-CB 3.46Å; G403-P414 VanDerWaalsContact C-CB 3.41Å; G403-P414 WeakPolarHBondContact O-CA 3.38Å; G403-P414 WeakPolarHBondContact O-CB 3.27Å; C404-P414 WeakPolarHBondContact O-CB 3.38Å; Y412-P414 WeakPolarHBondContact O-CD 3.34Å
415	K	68	Low	76.7	Confident	45 Å²	45	42.3 Å²	42.3	20%	0.196	22%	0.224	C	C	.	.			trans	-135.2	-13.4	-164.9	-42.8	-172.8	-159.7	146.6	0	115.5	T169 S192 Q283 L413	T169-K415 VanDerWaalsContact CB-NZ 3.28Å; T169-K415 HydrophobicContact CG2-CD 4.23Å; T169-K415 WeakPolarHBondContact OG1-CD 3.42Å; T169-K415 VanDerWaalsContact OG1-CE 3.3Å; T169-K415 WeakPolarHBondContact OG1-CE 3.09Å; T169-K415 PolarHBondContact OG1-NZ 2.78Å; S192-K415 VanDerWaalsContact CB-NZ 3.28Å; S192-K415 PolarHBondContact OG-NZ 2.7Å; Q283-K415 PolarHBondContact NE2-O 3.15Å; L413-K415 VanDerWaalsContact O-CG 3.23Å; L413-K415 WeakPolarHBondContact O-CG 3.26Å
416	K	79.2	Confident	77.1	Confident	81 Å²	81	44.5 Å²	44.5	35%	0.352	23%	0.234	S	C	.	.			trans	-129.4	147	-179.6	-63.1	178.3	-163.3	132.6	0	111.2	D399 C404 I405	D399-K416 IonicContact OD2-NZ 3.33Å; D399-K416 PolarHBondContact OD2-NZ 2.94Å; C404-K416 CarbonylContact C-O 3.49Å; C404-K416 VanDerWaalsContact CA-O 3.29Å; C404-K416 WeakPolarHBondContact CA-O 3.39Å; C404-K416 WeakPolarHBondContact CB-O 3.48Å; I405-K416 PolarHBondContact N-O 3.36Å
417	F	86.1	Confident	77.4	Confident	11 Å²	11	48 Å²	48	5%	0.048	25%	0.253	C	S	.	.			trans	-72.3	145.7	157.6	-68.2	-71.7	0	0	0	108.4	I279 F280 Q283 L284 I383 I405 M406 N421	I279-F417 HydrophobicContact CG2-CE2 4Å; F280-F417 HydrophobicContact CD2-CE2 4.35Å; F280-F417 HydrophobicContact CE2-CE2 4.09Å; F280-F417 AromaticContact CE2-CZ 3.92Å; F280-F417 HydrophobicContact CE2-CZ 3.92Å; F280-F417 HydrophobicContact CZ-CZ 4.24Å; Q283-F417 HydrophobicContact CB-CD2 4.25Å; L284-F417 HydrophobicContact CD1-CD2 4Å; L284-F417 HydrophobicContact CD1-CE2 3.66Å; L284-F417 HydrophobicContact CD1-CZ 4.09Å; L284-F417 HydrophobicContact CD2-CD2 4.44Å; L284-F417 HydrophobicContact CG-CD2 4.14Å; L284-F417 HydrophobicContact CG-CE2 4.24Å; I383-F417 HydrophobicContact CD1-CD1 4.21Å; I383-F417 HydrophobicContact CD1-CE1 4.05Å; I405-F417 HydrophobicContact CB-CD1 4.14Å; I405-F417 HydrophobicContact CB-CE1 3.96Å; I405-F417 HydrophobicContact CB-CZ 4.33Å; I405-F417 HydrophobicContact CD1-CD2 3.92Å; I405-F417 HydrophobicContact CD1-CE1 4.39Å; I405-F417 HydrophobicContact CD1-CE2 3.79Å; I405-F417 HydrophobicContact CD1-CG 4.28Å; I405-F417 HydrophobicContact CD1-CZ 4.05Å; I405-F417 HydrophobicContact CG2-CD1 4.37Å; I405-F417 HydrophobicContact CG2-CE1 3.69Å; I405-F417 HydrophobicContact CG2-CZ 3.86Å; M406-F417 HydrophobicContact CG-CD1 3.85Å; M406-F417 HydrophobicContact CG-CE1 3.9Å; M406-F417 HydrophobicContact SD-CD1 4.37Å; M406-F417 HydrophobicContact SD-CE1 3.8Å; F417-N421 HydrophobicContact CB-CB 3.95Å; F417-N421 HydrophobicContact CD1-CB 4.06Å; F417-N421 HydrophobicContact CG-CB 4.44Å
418	T	88.1	Confident	78.2	Confident	19 Å²	19	46.1 Å²	46.1	12%	0.117	24%	0.242	C	C	.	.			trans	-72.4	158.1	167.8	61.4	0	0	0	0	109.8	C397 C404 C420 N421 V422	C397-T418 HydrophobicContact CB-CG2 4.31Å; C404-T418 HydrophobicContact CB-CG2 3.8Å; C404-T418 WeakPolarHBondContact SG-CG2 3.02Å; T418-C420 PolarHBondContact O-N 3.37Å; T418-C420 VanDerWaalsContact O-N 3.15Å; T418-N421 PolarHBondContact N-OD1 3.16Å; T418-N421 WeakPolarHBondContact O-CA 3.34Å; T418-N421 WeakPolarHBondContact O-CB 3.26Å; T418-N421 PolarHBondContact O-N 2.85Å; T418-N421 PolarHBondContact OG1-N 3.15Å; T418-N421 PolarHBondContact OG1-OD1 3.26Å; T418-V422 PolarHBondContact O-N 2.93Å
419	D	87.2	Confident	79.4	Confident	134 Å²	134	41.9 Å²	41.9	72%	0.717	22%	0.219	S	C	*	.	H	α-helix	trans	-52.8	-37.3	171.4	-65.5	-22	0	0	0	111.5	N421 V422 E423	D419-N421 VanDerWaalsContact C-N 3.31Å; D419-N421 PolarHBondContact O-N 2.76Å; D419-V422 WeakPolarHBondContact O-CB 3.34Å; D419-V422 PolarHBondContact O-N 2.89Å; D419-V422 VanDerWaalsContact O-N 3.16Å; D419-E423 PolarHBondContact O-N 2.58Å
420	C	89.1	Confident	80.8	Confident	13 Å²	13	42.4 Å²	42.4	9%	0.088	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-35.9	173.6	-65.2	0	0	0	0	113.6	R389 C395 T418 V422 E423 E424	R389-C420 VanDerWaalsContact CZ-SG 3.58Å; R389-C420 PolarHBondContact NH2-SG 3.29Å; R389-C420 VanDerWaalsContact NH2-SG 3.41Å; C395-C420 WeakPolarHBondContact CA-SG 3.08Å; C395-C420 HydrophobicContact CB-CB 3.9Å; C395-C420 WeakPolarHBondContact CB-SG 3.24Å; C395-C420 WeakPolarHBondContact SG-CB 3.44Å; C395-C420 CovalentContact SG-SG 2.03Å; C395-C420 PolarHBondContact SG-SG 3.2Å; T418-C420 PolarHBondContact O-N 3.37Å; T418-C420 VanDerWaalsContact O-N 3.15Å; C420-V422 VanDerWaalsContact C-N 3.32Å; C420-E423 WeakPolarHBondContact O-CB 3.35Å; C420-E423 PolarHBondContact O-N 3.05Å; C420-E424 WeakPolarHBondContact O-CG 3.27Å; C420-E424 PolarHBondContact O-N 3.17Å
421	N	90.3	Very high	82.3	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-35.9	176.7	-64.5	132.1	0	0	0	111.3	I383 F384 F417 T418 D419 E424 Y425	I383-N421 HydrophobicContact CG2-CB 3.51Å; I383-N421 WeakPolarHBondContact CG2-ND2 3.37Å; F384-N421 PolarHBondContact O-ND2 3.47Å; F417-N421 HydrophobicContact CB-CB 3.95Å; F417-N421 HydrophobicContact CD1-CB 4.06Å; F417-N421 HydrophobicContact CG-CB 4.44Å; T418-N421 PolarHBondContact N-OD1 3.16Å; T418-N421 WeakPolarHBondContact O-CA 3.34Å; T418-N421 WeakPolarHBondContact O-CB 3.26Å; T418-N421 PolarHBondContact O-N 2.85Å; T418-N421 PolarHBondContact OG1-N 3.15Å; T418-N421 PolarHBondContact OG1-OD1 3.26Å; D419-N421 VanDerWaalsContact C-N 3.31Å; D419-N421 PolarHBondContact O-N 2.76Å; N421-E424 PolarHBondContact O-N 2.93Å; N421-Y425 PolarHBondContact O-N 3.31Å
422	V	90.6	Very high	83.8	Confident	35 Å²	35	37.9 Å²	37.9	21%	0.212	19%	0.194	C	C	.	.	H	α-helix	trans	-66.7	-41.6	173.1	-172.3	0	0	0	0	110.5	L284 T418 D419 C420 E424 Y425 H426	L284-V422 HydrophobicContact CD2-CG1 4.48Å; L284-V422 HydrophobicContact CD2-CG2 4.05Å; T418-V422 PolarHBondContact O-N 2.93Å; D419-V422 WeakPolarHBondContact O-CB 3.34Å; D419-V422 PolarHBondContact O-N 2.89Å; D419-V422 VanDerWaalsContact O-N 3.16Å; C420-V422 VanDerWaalsContact C-N 3.32Å; V422-E424 PolarHBondContact O-N 3.48Å; V422-Y425 WeakPolarHBondContact O-CB 3.22Å; V422-Y425 PolarHBondContact O-N 3.15Å; V422-H426 PolarHBondContact O-CD2 3.44Å; V422-H426 PolarHBondContact O-N 2.87Å
423	E	89.3	Confident	85.1	Confident	92 Å²	92	35.1 Å²	35.1	43%	0.43	19%	0.185	S	C	.	.	H	α-helix	trans	-58.3	-46.2	172.1	-69.8	179.2	159.7	0	0	112.5	R389 D419 C420 Y425 H426 N427	R389-E423 IonicContact CZ-OE2 2.69Å; R389-E423 IonicContact NH1-OE2 3.82Å; R389-E423 PolarHBondContact NH1-OE2 3.03Å; R389-E423 IonicContact NH2-OE2 2.84Å; R389-E423 PolarHBondContact NH2-OE2 2.94Å; D419-E423 PolarHBondContact O-N 2.58Å; C420-E423 WeakPolarHBondContact O-CB 3.35Å; C420-E423 PolarHBondContact O-N 3.05Å; E423-Y425 VanDerWaalsContact C-N 3.33Å; E423-Y425 PolarHBondContact O-N 2.05Å; E423-H426 PolarHBondContact O-N 2.03Å; E423-N427 WeakPolarHBondContact O-CB 3.46Å; E423-N427 PolarHBondContact O-N 2.02Å; E423-N427 PolarHBondContact O-ND2 3.22Å
424	E	90.8	Very high	86.3	Confident	11 Å²	11	33.9 Å²	33.9	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-35.7	177.4	-60.4	-46.1	143.8	0	0	112.1	F384 R389 C420 N421 V422 N427 F428 R616	F384-E424 HydrophobicContact CE1-CG 4.4Å; F384-E424 HydrophobicContact CZ-CG 4.31Å; R389-E424 IonicContact NH1-OE1 3.45Å; R389-E424 PolarHBondContact NH1-OE1 2.87Å; C420-E424 WeakPolarHBondContact O-CG 3.27Å; C420-E424 PolarHBondContact O-N 3.17Å; N421-E424 PolarHBondContact O-N 2.93Å; V422-E424 PolarHBondContact O-N 3.48Å; E424-N427 PolarHBondContact O-N 3.45Å; E424-F428 WeakPolarHBondContact O-CB 3.38Å; E424-F428 PolarHBondContact O-N 3.33Å; E424-R616 IonicContact OE1-NH2 3.28Å; E424-R616 PolarHBondContact OE1-NH2 3.34Å; E424-R616 IonicContact OE2-CZ 2.69Å; E424-R616 IonicContact OE2-NH1 2.79Å; E424-R616 IonicContact OE2-NH2 3.32Å; E424-R616 PolarHBondContact OE2-NH2 2.97Å
425	Y	92.6	Very high	87.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-45.6	172.5	176.7	-127.1	0	0	0	112	K242 L284 T286 I381 N421 V422 E423 N427 F428 L429	K242-Y425 WeakPolarHBondContact CG-OH 3.36Å; L284-Y425 HydrophobicContact CB-CD1 4.37Å; L284-Y425 HydrophobicContact CB-CE1 4.22Å; L284-Y425 HydrophobicContact CD2-CD1 3.97Å; L284-Y425 HydrophobicContact CD2-CG 4.47Å; T286-Y425 PolarHBondContact OG1-OH 2.01Å; T286-Y425 VanDerWaalsContact OG1-OH 3.1Å; I381-Y425 HydrophobicContact CB-CD2 4.15Å; I381-Y425 HydrophobicContact CB-CE2 4.03Å; I381-Y425 HydrophobicContact CD1-CD2 3.75Å; I381-Y425 HydrophobicContact CD1-CE2 3.75Å; I381-Y425 HydrophobicContact CD1-CG 4.41Å; I381-Y425 HydrophobicContact CG1-CD2 4.01Å; I381-Y425 HydrophobicContact CG1-CE2 4.19Å; N421-Y425 PolarHBondContact O-N 3.31Å; V422-Y425 WeakPolarHBondContact O-CB 3.22Å; V422-Y425 PolarHBondContact O-N 3.15Å; E423-Y425 VanDerWaalsContact C-N 3.33Å; E423-Y425 PolarHBondContact O-N 2.05Å; Y425-N427 VanDerWaalsContact C-N 3.34Å; Y425-N427 PolarHBondContact O-N 3.28Å; Y425-F428 WeakPolarHBondContact O-CB 3.31Å; Y425-F428 PolarHBondContact O-N 2.94Å; Y425-F428 VanDerWaalsContact O-N 3.17Å; Y425-L429 HydrophobicContact CD1-CD1 4.37Å; Y425-L429 HydrophobicContact CD2-CG 4.35Å; Y425-L429 HydrophobicContact CE1-CD1 3.83Å; Y425-L429 HydrophobicContact CE2-CD1 4.01Å; Y425-L429 HydrophobicContact CE2-CD2 4.02Å; Y425-L429 HydrophobicContact CE2-CG 3.93Å; Y425-L429 WeakPolarHBondContact O-CG 3.32Å; Y425-L429 PolarHBondContact O-N 2.85Å
426	H	90.9	Very high	88.2	Confident	45 Å²	45	33.4 Å²	33.4	21%	0.208	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-40.8	177.1	-70.3	-155.9	0	0	0	110.8	E238 V422 E423 F428 L429 N430	E238-H426 HydrophobicContact CG-CB 4.09Å; E238-H426 WeakPolarHBondContact CG-ND1 3.39Å; E238-H426 IonicContact OE2-CE1 3.01Å; E238-H426 IonicContact OE2-CG 3.8Å; E238-H426 IonicContact OE2-ND1 2.81Å; E238-H426 PolarHBondContact OE2-ND1 3.43Å; V422-H426 PolarHBondContact O-CD2 3.44Å; V422-H426 PolarHBondContact O-N 2.87Å; E423-H426 PolarHBondContact O-N 2.03Å; H426-F428 VanDerWaalsContact C-N 3.33Å; H426-F428 PolarHBondContact O-N 3.47Å; H426-L429 PolarHBondContact O-N 3.4Å; H426-N430 VanDerWaalsContact O-CB 3.28Å; H426-N430 WeakPolarHBondContact O-CB 3.48Å; H426-N430 VanDerWaalsContact O-CG 3.29Å; H426-N430 PolarHBondContact O-N 2.9Å; H426-N430 PolarHBondContact O-ND2 3.24Å; H426-N430 VanDerWaalsContact O-ND2 3.08Å
427	N	90.1	Very high	88.7	Confident	90 Å²	90	29.6 Å²	29.6	48%	0.481	17%	0.166	S	C	.	.	H	α-helix	trans	-60.7	-39.5	172.8	-71.1	-30.5	0	0	0	112.1	E423 E424 Y425 S431	E423-N427 WeakPolarHBondContact O-CB 3.46Å; E423-N427 PolarHBondContact O-N 2.02Å; E423-N427 PolarHBondContact O-ND2 3.22Å; E424-N427 PolarHBondContact O-N 3.45Å; Y425-N427 VanDerWaalsContact C-N 3.34Å; Y425-N427 PolarHBondContact O-N 3.28Å; N427-S431 VanDerWaalsContact O-CB 3.28Å; N427-S431 WeakPolarHBondContact O-CB 3.4Å; N427-S431 PolarHBondContact O-N 3.37Å
428	F	91.4	Very high	88.6	Confident	13 Å²	13	30.6 Å²	30.6	6%	0.057	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-48.6	175.7	173.3	-99.9	0	0	0	111.9	V351 I381 E424 Y425 H426 S431 G433	V351-F428 HydrophobicContact CG1-CE1 3.84Å; V351-F428 HydrophobicContact CG1-CZ 3.75Å; I381-F428 WeakPolarHBondContact O-CD1 3.45Å; I381-F428 VanDerWaalsContact O-CG 3.29Å; I381-F428 WeakPolarHBondContact O-CG 3.41Å; E424-F428 WeakPolarHBondContact O-CB 3.38Å; E424-F428 PolarHBondContact O-N 3.33Å; Y425-F428 WeakPolarHBondContact O-CB 3.31Å; Y425-F428 PolarHBondContact O-N 2.94Å; Y425-F428 VanDerWaalsContact O-N 3.17Å; H426-F428 VanDerWaalsContact C-N 3.33Å; H426-F428 PolarHBondContact O-N 3.47Å; F428-S431 WeakPolarHBondContact O-CB 3.28Å; F428-S431 PolarHBondContact O-N 3.32Å; F428-S431 PolarHBondContact O-OG 2.75Å; F428-G433 VanDerWaalsContact CE1-C 3.49Å; F428-G433 WeakPolarHBondContact O-CA 3.48Å; F428-G433 PolarHBondContact O-N 3.22Å
429	L	90.4	Very high	88.1	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-50.6	176.2	-65.6	175.1	0	0	0	111.7	V237 K242 Y425 H426 S431 G432 F438	V237-L429 HydrophobicContact CG1-CB 4.1Å; V237-L429 HydrophobicContact CG1-CD1 4.49Å; K242-L429 VanDerWaalsContact CE-CD1 3.47Å; Y425-L429 HydrophobicContact CD1-CD1 4.37Å; Y425-L429 HydrophobicContact CD2-CG 4.35Å; Y425-L429 HydrophobicContact CE1-CD1 3.83Å; Y425-L429 HydrophobicContact CE2-CD1 4.01Å; Y425-L429 HydrophobicContact CE2-CD2 4.02Å; Y425-L429 HydrophobicContact CE2-CG 3.93Å; Y425-L429 WeakPolarHBondContact O-CG 3.32Å; Y425-L429 PolarHBondContact O-N 2.85Å; H426-L429 PolarHBondContact O-N 3.4Å; L429-S431 PolarHBondContact O-N 2.99Å; L429-G432 PolarHBondContact O-N 3.07Å; L429-F438 HydrophobicContact CD2-CZ 4.37Å
430	N	88.4	Confident	87.6	Confident	56 Å²	56	30.2 Å²	30.2	30%	0.299	16%	0.164	S	C	.	.	H	α-helix	trans	-63.3	-23.2	178.2	-72.2	-38.3	0	0	0	112.6	E238 H426 G432	E238-N430 PolarHBondContact OE1-ND2 2.95Å; H426-N430 VanDerWaalsContact O-CB 3.28Å; H426-N430 WeakPolarHBondContact O-CB 3.48Å; H426-N430 VanDerWaalsContact O-CG 3.29Å; H426-N430 PolarHBondContact O-N 2.9Å; H426-N430 PolarHBondContact O-ND2 3.24Å; H426-N430 VanDerWaalsContact O-ND2 3.08Å; N430-G432 PolarHBondContact O-N 2.74Å
431	S	86.1	Confident	86.7	Confident	36 Å²	36	30.3 Å²	30.3	25%	0.252	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.8	172.1	82.7	0	0	0	0	114	N427 F428 L429 N511 R549	N427-S431 VanDerWaalsContact O-CB 3.28Å; N427-S431 WeakPolarHBondContact O-CB 3.4Å; N427-S431 PolarHBondContact O-N 3.37Å; F428-S431 WeakPolarHBondContact O-CB 3.28Å; F428-S431 PolarHBondContact O-N 3.32Å; F428-S431 PolarHBondContact O-OG 2.75Å; L429-S431 PolarHBondContact O-N 2.99Å; S431-N511 PolarHBondContact O-ND2 2.88Å; S431-R549 WeakPolarHBondContact O-CG 3.28Å
432	G	82.2	Confident	85.6	Confident	10 Å²	10	39.3 Å²	39.3	10%	0.103	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	14.3	-172	0	0	0	0	0	114.2	L429 N430	L429-G432 PolarHBondContact O-N 3.07Å; N430-G432 PolarHBondContact O-N 2.74Å
433	G	86.5	Confident	84.3	Confident	6 Å²	6	39.3 Å²	39.3	6%	0.062	20%	0.195	C	C	.	.			trans	-81.2	154.6	173.8	0	0	0	0	0	112.6	F428	F428-G433 VanDerWaalsContact CE1-C 3.49Å; F428-G433 WeakPolarHBondContact O-CA 3.48Å; F428-G433 PolarHBondContact O-N 3.22Å
434	G	87.3	Confident	82.6	Confident	4 Å²	4	36.9 Å²	36.9	4%	0.041	18%	0.184	C	C	.	.			trans	77.1	22.3	171.7	0	0	0	0	0	116	C436 L437 F438	G434-C436 PolarHBondContact O-N 2.85Å; G434-C436 VanDerWaalsContact O-N 3.1Å; G434-L437 VanDerWaalsContact O-CB 3.26Å; G434-L437 WeakPolarHBondContact O-CB 3.43Å; G434-L437 WeakPolarHBondContact O-CG 3.49Å; G434-L437 PolarHBondContact O-N 3.34Å; G434-F438 WeakPolarHBondContact O-CE2 3.41Å
435	A	86.7	Confident	80.7	Confident	14 Å²	14	40.2 Å²	40.2	12%	0.116	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56.5	-26.9	-177.7	0	0	0	0	0	115	L437	A435-L437 VanDerWaalsContact C-N 3.25Å; A435-L437 PolarHBondContact O-N 3.1Å
436	C	88.1	Confident	78.6	Confident	24 Å²	24	41.6 Å²	41.6	16%	0.162	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-71.7	-14.7	174	64.2	0	0	0	0	114.1	D328 C352 G434 F438 N439	D328-C436 VanDerWaalsContact OD1-CB 3.24Å; D328-C436 WeakPolarHBondContact OD1-CB 3.43Å; D328-C436 PolarHBondContact OD1-SG 3.21Å; C352-C436 WeakPolarHBondContact CA-SG 3.49Å; C352-C436 HydrophobicContact CB-CB 3.77Å; C352-C436 WeakPolarHBondContact CB-SG 3.28Å; C352-C436 WeakPolarHBondContact SG-CB 3.4Å; C352-C436 PolarHBondContact SG-N 2.68Å; C352-C436 CovalentContact SG-SG 2.03Å; C352-C436 PolarHBondContact SG-SG 3.41Å; G434-C436 PolarHBondContact O-N 2.85Å; G434-C436 VanDerWaalsContact O-N 3.1Å; C436-F438 PolarHBondContact O-N 2.87Å; C436-N439 VanDerWaalsContact O-CG 3.31Å; C436-N439 PolarHBondContact O-ND2 2.99Å; C436-N439 PolarHBondContact O-OD1 2.82Å
437	L	90.4	Very high	76.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-81.2	4	-171.8	-55.9	179.8	0	0	0	114.2	K242 Y243 I244 D328 V351 I381 G434 A435	K242-L437 CarbonylContact C-O 3.48Å; K242-L437 VanDerWaalsContact CA-O 3.29Å; K242-L437 WeakPolarHBondContact CA-O 3.49Å; K242-L437 HydrophobicContact CB-CB 4.07Å; K242-L437 HydrophobicContact CG-CB 4.15Å; Y243-L437 PolarHBondContact N-O 3.21Å; Y243-L437 VanDerWaalsContact O-CA 3.26Å; Y243-L437 WeakPolarHBondContact O-CA 3.31Å; Y243-L437 VanDerWaalsContact O-CD2 3.23Å; Y243-L437 WeakPolarHBondContact O-CD2 3.46Å; I244-L437 HydrophobicContact CB-CD2 4.37Å; I244-L437 HydrophobicContact CG1-CD2 3.78Å; D328-L437 HydrophobicContact CB-CD2 4.27Å; V351-L437 HydrophobicContact CG1-CD1 4.41Å; V351-L437 HydrophobicContact CG2-CD1 4.46Å; V351-L437 HydrophobicContact CG2-CD2 3.84Å; V351-L437 HydrophobicContact CG2-CG 4.42Å; I381-L437 HydrophobicContact CG2-CD1 4.23Å; G434-L437 VanDerWaalsContact O-CB 3.26Å; G434-L437 WeakPolarHBondContact O-CB 3.43Å; G434-L437 WeakPolarHBondContact O-CG 3.49Å; G434-L437 PolarHBondContact O-N 3.34Å; A435-L437 VanDerWaalsContact C-N 3.25Å; A435-L437 PolarHBondContact O-N 3.1Å
438	F	84.6	Confident	75.5	Confident	33 Å²	33	43 Å²	43	15%	0.145	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-101.5	-4.9	-174.7	-62.9	-90.6	0	0	0	113.3	V237 E240 K242 L429 G434 C436 N529	V237-F438 HydrophobicContact CG1-CE1 3.85Å; V237-F438 HydrophobicContact CG1-CZ 3.48Å; V237-F438 VanDerWaalsContact CG1-CZ 3.48Å; E240-F438 WeakPolarHBondContact OE2-CD1 3.43Å; K242-F438 HydrophobicContact CD-CE1 4.5Å; K242-F438 HydrophobicContact CG-CE1 4.35Å; K242-F438 HydrophobicContact CG-CZ 4.36Å; L429-F438 HydrophobicContact CD2-CZ 4.37Å; G434-F438 WeakPolarHBondContact O-CE2 3.41Å; C436-F438 PolarHBondContact O-N 2.87Å; F438-N529 HydrophobicContact CB-CB 4Å; F438-N529 HydrophobicContact CD2-CB 3.93Å; F438-N529 WeakPolarHBondContact CD2-ND2 3.47Å; F438-N529 WeakPolarHBondContact CE2-ND2 3.22Å; F438-N529 HydrophobicContact CG-CB 4.05Å
439	N	77.2	Confident	74.3	Confident	61 Å²	61	47.1 Å²	47.1	33%	0.326	25%	0.247	S	C	.	.			trans	-86.8	107.6	171.9	42.6	-105.6	0	0	0	111.8	C436 P441	C436-N439 VanDerWaalsContact O-CG 3.31Å; C436-N439 PolarHBondContact O-ND2 2.99Å; C436-N439 PolarHBondContact O-OD1 2.82Å; N439-P441 WeakPolarHBondContact O-CD 3.25Å
440	K	76.4	Confident	73.5	Confident	84 Å²	84	49.9 Å²	49.9	37%	0.365	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-61	117.4	169.3	-174.3	171.4	-174.6	-178.3	0	110.3	Y243 I454	Y243-K440 HydrophobicContact CD1-CG 4.49Å; Y243-K440 HydrophobicContact CD2-CB 4.02Å; Y243-K440 HydrophobicContact CD2-CG 4.5Å; Y243-K440 HydrophobicContact CE1-CB 4.46Å; Y243-K440 HydrophobicContact CE1-CD 4.47Å; Y243-K440 HydrophobicContact CE1-CG 3.91Å; Y243-K440 HydrophobicContact CE2-CB 3.64Å; Y243-K440 HydrophobicContact CE2-CD 4.41Å; Y243-K440 HydrophobicContact CE2-CG 3.92Å; K440-I454 HydrophobicContact CD-CG1 4.41Å; K440-I454 VanDerWaalsContact NZ-CG1 3.27Å
441	P	70.8	Confident	72.7	Confident	14 Å²	14	48.5 Å²	48.5	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-68.5	158.5	175.9	-20.5	35.6	0	0	0	111.3	E245 V289 N439	E245-P441 HydrophobicContact CG-CG 3.88Å; V289-P441 HydrophobicContact CB-CB 4.49Å; V289-P441 HydrophobicContact CB-CG 3.98Å; V289-P441 HydrophobicContact CG1-CB 3.96Å; V289-P441 HydrophobicContact CG1-CG 4Å; V289-P441 HydrophobicContact CG2-CG 3.96Å; N439-P441 WeakPolarHBondContact O-CD 3.25Å
442	R	66.6	Low	71.6	Confident	195 Å²	195	48.5 Å²	48.5	74%	0.736	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-86.9	135.6	173.2	-63.5	177.5	-176.4	-159.7	-3.3	109.5	S114 S115	S114-R442 CarbonylContact C-O 3.58Å; S114-R442 WeakPolarHBondContact CA-O 3.48Å; S114-R442 PolarHBondContact OG-O 2.93Å; S115-R442 PolarHBondContact N-O 2.84Å; S115-R442 WeakPolarHBondContact OG-CB 3.48Å; S115-R442 PolarHBondContact OG-O 2.85Å; S115-R442 VanDerWaalsContact OG-O 3.13Å
443	K	62.6	Low	70.9	Confident	34 Å²	34	49 Å²	49	15%	0.148	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-74.6	159.5	-174.9	-54.4	-177.1	-171.1	-141.7	0	113.7	H110 D111 S115 D446 I454	H110-K443 HydrophobicContact CB-CD 4.14Å; D111-K443 WeakPolarHBondContact OD1-CE 3.33Å; D111-K443 IonicContact OD1-NZ 2.73Å; D111-K443 PolarHBondContact OD1-NZ 2.9Å; D111-K443 IonicContact OD2-NZ 3.92Å; D111-K443 PolarHBondContact OD2-NZ 3.35Å; S115-K443 WeakPolarHBondContact CA-O 3.48Å; S115-K443 VanDerWaalsContact CB-O 3.24Å; S115-K443 WeakPolarHBondContact CB-O 3.06Å; S115-K443 PolarHBondContact N-O 2.76Å; K443-D446 WeakPolarHBondContact CD-OD2 3.29Å; K443-I454 HydrophobicContact CD-CD1 4.01Å; K443-I454 VanDerWaalsContact CE-CD1 3.4Å; K443-I454 HydrophobicContact CG-CD1 4Å
444	L	54.7	Low	70	Confident	41 Å²	41	50 Å²	50	22%	0.215	27%	0.272	C	S	.	.	S	Bend	trans	-86.2	-37.6	-172.9	-178.7	65	0	0	0	116.1	L113 Y117	L113-L444 HydrophobicContact CB-CB 3.96Å; L113-L444 HydrophobicContact CB-CD2 3.79Å; L113-L444 HydrophobicContact CD1-CD2 3.79Å; L113-L444 HydrophobicContact CG-CD2 4.45Å; L113-L444 VanDerWaalsContact O-CB 3.29Å; L113-L444 WeakPolarHBondContact O-CB 3.47Å; L113-L444 PolarHBondContact O-N 3.04Å; Y117-L444 HydrophobicContact CD1-CD2 4.3Å
445	L	50.5	Low	69.2	Low	82 Å²	82	55.5 Å²	55.5	43%	0.429	30%	0.3	S	S	.	.	S	Bend	trans	-114.5	1	-156.7	-74	166.9	0	0	0	115.1	H136 P447	H136-L445 HydrophobicContact CB-CD1 3.36Å; H136-L445 WeakPolarHBondContact CD2-CD1 3.34Å; L445-P447 WeakPolarHBondContact O-CD 3.23Å
446	D	49.1	Very low	68.4	Low	28 Å²	28	56.6 Å²	56.6	15%	0.15	30%	0.302	C	S	.	.			trans	-93.6	120.8	-167.7	-58	-9	0	0	0	109.1	H110 K443	H110-D446 IonicContact CE1-OD1 3.22Å; H110-D446 IonicContact CG-OD1 2.78Å; H110-D446 IonicContact ND1-OD1 2.69Å; H110-D446 PolarHBondContact ND1-OD1 3.27Å; H110-D446 IonicContact ND1-OD2 3.9Å; K443-D446 WeakPolarHBondContact CD-OD2 3.29Å
447	P	53.8	Low	67.4	Low	102 Å²	102	60.1 Å²	60.1	66%	0.662	33%	0.333	S	S	*	.	S	Bend	trans	-57.4	147.7	146.3	-8.8	25.7	0	0	0	107.4	L445 E449	L445-P447 WeakPolarHBondContact O-CD 3.23Å; P447-E449 PolarHBondContact O-N 3.11Å
448	P	60.8	Low	66.6	Low	64 Å²	64	63.9 Å²	63.9	42%	0.416	37%	0.372	S	S	.	.			trans	-45.1	108	179.6	-29.4	34.6	0	0	0	112.2	E456 A457 E459	P448-E456 WeakPolarHBondContact CA-OE2 3.21Å; P448-E456 HydrophobicContact CB-CB 3.75Å; P448-E456 HydrophobicContact CG-CB 4.16Å; P448-A457 WeakPolarHBondContact CG-O 3.49Å; P448-E459 HydrophobicContact CB-CG 4.38Å
449	E	66.1	Low	66.5	Low	98 Å²	98	63.6 Å²	63.6	46%	0.458	37%	0.371	S	S	.	.			trans	-110	101.1	-174.3	-172.5	176.6	-160	0	0	111.6	P447 G451 N452 E456	P447-E449 PolarHBondContact O-N 3.11Å; E449-G451 PolarHBondContact O-N 3.05Å; E449-N452 VanDerWaalsContact O-CG 3.28Å; E449-N452 PolarHBondContact O-N 3.05Å; E449-N452 PolarHBondContact O-ND2 2.82Å; E449-N452 VanDerWaalsContact O-ND2 3.17Å; E449-E456 PolarHBondContact N-OE2 2.84Å
450	C	74.4	Confident	66.7	Low	61 Å²	61	66.2 Å²	66.2	41%	0.412	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	107.6	-178.1	177.3	0	0	0	0	113.7	E459 N479 C480	C450-E459 WeakPolarHBondContact CA-OE1 3.47Å; C450-E459 WeakPolarHBondContact CB-OE1 3.04Å; C450-E459 PolarHBondContact N-OE1 2.88Å; C450-N479 VanDerWaalsContact SG-C 3.5Å; C450-C480 WeakPolarHBondContact CA-SG 3.48Å; C450-C480 HydrophobicContact CB-CB 3.6Å; C450-C480 WeakPolarHBondContact CB-SG 3.28Å; C450-C480 WeakPolarHBondContact SG-CB 3.33Å; C450-C480 PolarHBondContact SG-N 3.43Å; C450-C480 CovalentContact SG-SG 2.03Å; C450-C480 PolarHBondContact SG-SG 2.85Å
451	G	71.9	Confident	67	Low	28 Å²	28	62.4 Å²	62.4	29%	0.289	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	121.8	10.4	177.5	0	0	0	0	0	114.4	E449 D462 G464 S465	E449-G451 PolarHBondContact O-N 3.05Å; G451-D462 VanDerWaalsContact CA-OD1 3.27Å; G451-D462 WeakPolarHBondContact CA-OD1 3.44Å; G451-D462 WeakPolarHBondContact CA-OD2 3.42Å; G451-D462 PolarHBondContact N-OD1 3.01Å; G451-D462 PolarHBondContact N-OD2 2.89Å; G451-G464 WeakPolarHBondContact CA-O 3.02Å; G451-G464 CarbonylContact O-C 3.55Å; G451-S465 PolarHBondContact O-N 2.92Å; G451-S465 VanDerWaalsContact O-N 3.08Å
452	N	63.5	Low	67.5	Low	35 Å²	35	62 Å²	62	19%	0.187	36%	0.362	C	S	.	.	S	Bend	trans	-92.4	-4.6	177.2	75.6	29.9	0	0	0	113.6	E449 I454 E456 D462	E449-N452 VanDerWaalsContact O-CG 3.28Å; E449-N452 PolarHBondContact O-N 3.05Å; E449-N452 PolarHBondContact O-ND2 2.82Å; E449-N452 VanDerWaalsContact O-ND2 3.17Å; N452-I454 WeakPolarHBondContact OD1-CA 3.19Å; N452-I454 WeakPolarHBondContact OD1-CB 3.39Å; N452-I454 WeakPolarHBondContact OD1-CG1 3.24Å; N452-I454 PolarHBondContact OD1-N 2.92Å; N452-E456 PolarHBondContact ND2-OE2 3.04Å; N452-D462 PolarHBondContact N-OD2 3.07Å; N452-D462 PolarHBondContact OD1-OD2 3.3Å
453	G	66.4	Low	68.1	Low	22 Å²	22	53.4 Å²	53.4	23%	0.227	33%	0.332	C	S	.	.	S	Bend	trans	75.2	23.1	177.8	0	0	0	0	0	114.3	D462	G453-D462 WeakPolarHBondContact CA-OD1 2.97Å; G453-D462 PolarHBondContact N-OD1 3.06Å; G453-D462 VanDerWaalsContact N-OD1 3.09Å; G453-D462 PolarHBondContact N-OD2 3.27Å
454	I	67.3	Low	68.8	Low	27 Å²	27	52.1 Å²	52.1	14%	0.138	33%	0.328	C	S	.	.	S	Bend	trans	-121.7	137.9	174.4	-54.6	-179.4	0	0	0	108	K440 K443 N452 E456 D462	K440-I454 HydrophobicContact CD-CG1 4.41Å; K440-I454 VanDerWaalsContact NZ-CG1 3.27Å; K443-I454 HydrophobicContact CD-CD1 4.01Å; K443-I454 VanDerWaalsContact CE-CD1 3.4Å; K443-I454 HydrophobicContact CG-CD1 4Å; N452-I454 WeakPolarHBondContact OD1-CA 3.19Å; N452-I454 WeakPolarHBondContact OD1-CB 3.39Å; N452-I454 WeakPolarHBondContact OD1-CG1 3.24Å; N452-I454 PolarHBondContact OD1-N 2.92Å; I454-E456 HydrophobicContact CB-CG 4.21Å; I454-E456 HydrophobicContact CG2-CG 4.04Å; I454-E456 PolarHBondContact O-N 2.73Å; I454-D462 VanDerWaalsContact O-CB 3.29Å; I454-D462 WeakPolarHBondContact O-CB 3.12Å
455	L	72.1	Confident	69.8	Low	119 Å²	119	52.4 Å²	52.4	62%	0.623	33%	0.334	S	S	*	.			trans	-81.2	103.5	175.3	-174	73.3	0	0	0	110.1	E459	L455-E459 HydrophobicContact CD1-CB 4.48Å
456	E	69.7	Low	71.1	Confident	37 Å²	37	54.6 Å²	54.6	17%	0.173	35%	0.351	C	S	.	.			trans	-102	173.6	-174.5	-60	-158.3	93	0	0	114.4	P448 E449 N452 I454 G458 E459	P448-E456 WeakPolarHBondContact CA-OE2 3.21Å; P448-E456 HydrophobicContact CB-CB 3.75Å; P448-E456 HydrophobicContact CG-CB 4.16Å; E449-E456 PolarHBondContact N-OE2 2.84Å; N452-E456 PolarHBondContact ND2-OE2 3.04Å; I454-E456 HydrophobicContact CB-CG 4.21Å; I454-E456 HydrophobicContact CG2-CG 4.04Å; I454-E456 PolarHBondContact O-N 2.73Å; E456-G458 PolarHBondContact O-N 3.33Å; E456-E459 PolarHBondContact N-OE2 2.95Å; E456-E459 PolarHBondContact O-N 3.11Å
457	A	65.8	Low	72.4	Confident	98 Å²	98	60 Å²	60	81%	0.81	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	81	-168.9	0	0	0	0	0	113	P448	P448-A457 WeakPolarHBondContact CG-O 3.49Å
458	G	74.3	Confident	73.4	Confident	78 Å²	78	60.1 Å²	60.1	80%	0.804	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	147.9	-10.1	-176.6	0	0	0	0	0	112.9	E456	E456-G458 PolarHBondContact O-N 3.33Å
459	E	81.6	Confident	74.4	Confident	28 Å²	28	57.8 Å²	57.8	13%	0.131	35%	0.352	C	S	.	.			trans	-107.2	149.4	-176.6	-61.5	176.5	158.2	0	0	110.8	P448 C450 L455 E456 C480	P448-E459 HydrophobicContact CB-CG 4.38Å; C450-E459 WeakPolarHBondContact CA-OE1 3.47Å; C450-E459 WeakPolarHBondContact CB-OE1 3.04Å; C450-E459 PolarHBondContact N-OE1 2.88Å; L455-E459 HydrophobicContact CD1-CB 4.48Å; E456-E459 PolarHBondContact N-OE2 2.95Å; E456-E459 PolarHBondContact O-N 3.11Å; E459-C480 HydrophobicContact CB-CB 4.03Å; E459-C480 HydrophobicContact CG-CB 3.8Å
460	E	82.8	Confident	75.2	Confident	115 Å²	115	55.9 Å²	55.9	54%	0.537	35%	0.353	S	S	.	.	S	Bend	trans	-99.7	-17.7	174.4	-59.7	-178.9	152.1	0	0	112	C480 L482	E460-C480 PolarHBondContact N-O 3.08Å; E460-L482 HydrophobicContact CB-CB 4.35Å; E460-L482 HydrophobicContact CB-CD1 4.07Å; E460-L482 HydrophobicContact CB-CG 3.91Å; E460-L482 PolarHBondContact OE2-N 2.77Å
461	C	82.8	Confident	75.5	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.034	37%	0.368	C	S	.	.			trans	-161.4	151.2	178	55.5	0	0	0	0	110.8	C477 C480 T481 L482	C461-C477 VanDerWaalsContact C-SG 3.53Å; C461-C477 HydrophobicContact CB-CB 3.79Å; C461-C477 WeakPolarHBondContact CB-SG 3.32Å; C461-C477 PolarHBondContact O-SG 3.49Å; C461-C477 WeakPolarHBondContact SG-CA 3.36Å; C461-C477 WeakPolarHBondContact SG-CB 3.24Å; C461-C477 CovalentContact SG-SG 2.04Å; C461-C477 PolarHBondContact SG-SG 2.89Å; C461-C480 PolarHBondContact N-O 3.37Å; C461-C480 CarbonylContact O-C 3.57Å; C461-C480 WeakPolarHBondContact O-CA 3.33Å; C461-C480 WeakPolarHBondContact O-CB 3.49Å; C461-C480 PolarHBondContact O-SG 3.16Å; C461-C480 VanDerWaalsContact O-SG 3.4Å; C461-T481 PolarHBondContact SG-O 3Å; C461-T481 VanDerWaalsContact SG-O 3.34Å; C461-L482 HydrophobicContact CB-CD2 3.75Å; C461-L482 HydrophobicContact CB-CG 4.06Å
462	D	81.4	Confident	75.6	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.021	37%	0.369	C	S	.	.			trans	-137.8	121.8	161.3	-170.1	-24.9	0	0	0	108.7	G451 N452 G453 I454 G464 N490	G451-D462 VanDerWaalsContact CA-OD1 3.27Å; G451-D462 WeakPolarHBondContact CA-OD1 3.44Å; G451-D462 WeakPolarHBondContact CA-OD2 3.42Å; G451-D462 PolarHBondContact N-OD1 3.01Å; G451-D462 PolarHBondContact N-OD2 2.89Å; N452-D462 PolarHBondContact N-OD2 3.07Å; N452-D462 PolarHBondContact OD1-OD2 3.3Å; G453-D462 WeakPolarHBondContact CA-OD1 2.97Å; G453-D462 PolarHBondContact N-OD1 3.06Å; G453-D462 VanDerWaalsContact N-OD1 3.09Å; G453-D462 PolarHBondContact N-OD2 3.27Å; I454-D462 VanDerWaalsContact O-CB 3.29Å; I454-D462 WeakPolarHBondContact O-CB 3.12Å; D462-G464 PolarHBondContact OD1-N 3.42Å; D462-N490 VanDerWaalsContact O-CG 3.26Å; D462-N490 PolarHBondContact O-ND2 3.02Å; D462-N490 PolarHBondContact O-OD1 3.41Å; D462-N490 VanDerWaalsContact O-OD1 3.05Å
463	C	79.1	Confident	76.4	Confident	16 Å²	16	61.7 Å²	61.7	11%	0.108	37%	0.365	C	S	.	.			trans	-89.9	1.8	-179.5	48.2	0	0	0	0	114.3	C469 C477 S489 N490	C463-C469 HydrophobicContact CB-CB 3.58Å; C463-C469 WeakPolarHBondContact CB-SG 3.31Å; C463-C469 WeakPolarHBondContact SG-CB 3.32Å; C463-C469 CovalentContact SG-SG 2.03Å; C463-C469 PolarHBondContact SG-SG 3.22Å; C463-C477 HydrophobicContact CB-CB 4.32Å; C463-S489 WeakPolarHBondContact CB-OG 3.42Å; C463-N490 WeakPolarHBondContact CA-ND2 3.05Å
464	G	76.5	Confident	77.1	Confident	7 Å²	7	66.3 Å²	66.3	7%	0.072	38%	0.381	C	S	.	.			trans	84.5	-165.2	-169.1	0	0	0	0	0	111.9	G451 D462	G451-G464 WeakPolarHBondContact CA-O 3.02Å; G451-G464 CarbonylContact O-C 3.55Å; D462-G464 PolarHBondContact OD1-N 3.42Å
465	S	75.2	Confident	78	Confident	47 Å²	47	71.5 Å²	71.5	33%	0.329	41%	0.409	S	S	.	.	S	Bend	trans	-57.7	160.4	-179.4	63	0	0	0	0	111.5	G451 E467 E468 C469	G451-S465 PolarHBondContact O-N 2.92Å; G451-S465 VanDerWaalsContact O-N 3.08Å; S465-E467 PolarHBondContact O-N 3.14Å; S465-E468 WeakPolarHBondContact CB-OE2 3.47Å; S465-E468 PolarHBondContact N-OE2 3.07Å; S465-E468 PolarHBondContact O-N 3.42Å; S465-E468 VanDerWaalsContact OG-CD 3.26Å; S465-E468 VanDerWaalsContact OG-CG 3.3Å; S465-E468 WeakPolarHBondContact OG-CG 3.43Å; S465-E468 PolarHBondContact OG-N 3.22Å; S465-E468 PolarHBondContact OG-OE2 3.32Å; S465-C469 WeakPolarHBondContact O-CB 3.42Å; S465-C469 PolarHBondContact O-N 2.91Å
466	T	78.3	Confident	78.7	Confident	128 Å²	128	66.3 Å²	66.3	79%	0.785	38%	0.382	S	S	*	.	H	α-helix	trans	-55.6	-31.2	-179.5	50.2	0	0	0	0	113.2	A470	T466-A470 WeakPolarHBondContact O-CB 3.44Å; T466-A470 PolarHBondContact O-N 3.28Å
467	E	76.9	Confident	79.6	Confident	142 Å²	142	64.8 Å²	64.8	66%	0.664	38%	0.376	S	S	*	.	H	α-helix	trans	-75.5	-31.5	175	-61	-168.2	177.6	0	0	114.2	S465 K471	S465-E467 PolarHBondContact O-N 3.14Å; E467-K471 WeakPolarHBondContact O-CG 3.34Å
468	E	74.2	Confident	80.6	Confident	104 Å²	104	67.5 Å²	67.5	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-78.3	-43.5	175.6	-70.4	166.1	137.6	0	0	110.7	S465 A470 K471 E472	S465-E468 WeakPolarHBondContact CB-OE2 3.47Å; S465-E468 PolarHBondContact N-OE2 3.07Å; S465-E468 PolarHBondContact O-N 3.42Å; S465-E468 VanDerWaalsContact OG-CD 3.26Å; S465-E468 VanDerWaalsContact OG-CG 3.3Å; S465-E468 WeakPolarHBondContact OG-CG 3.43Å; S465-E468 PolarHBondContact OG-N 3.22Å; S465-E468 PolarHBondContact OG-OE2 3.32Å; E468-A470 VanDerWaalsContact C-N 3.27Å; E468-A470 PolarHBondContact O-N 3.25Å; E468-K471 WeakPolarHBondContact O-CA 3.27Å; E468-K471 WeakPolarHBondContact O-CB 3.29Å; E468-K471 PolarHBondContact O-N 3.18Å; E468-E472 PolarHBondContact O-N 2.89Å
469	C	83.1	Confident	81.2	Confident	14 Å²	14	70.6 Å²	70.6	10%	0.095	37%	0.367	C	S	.	.	H	α-helix	trans	-56.1	-41.9	174.2	-163.6	0	0	0	0	111.7	C463 S465 K471 E472 G473 E474	C463-C469 HydrophobicContact CB-CB 3.58Å; C463-C469 WeakPolarHBondContact CB-SG 3.31Å; C463-C469 WeakPolarHBondContact SG-CB 3.32Å; C463-C469 CovalentContact SG-SG 2.03Å; C463-C469 PolarHBondContact SG-SG 3.22Å; S465-C469 WeakPolarHBondContact O-CB 3.42Å; S465-C469 PolarHBondContact O-N 2.91Å; C469-K471 PolarHBondContact O-N 2.65Å; C469-E472 CarbonylContact O-C 3.6Å; C469-E472 VanDerWaalsContact O-C 3.28Å; C469-E472 PolarHBondContact O-N 3.23Å; C469-G473 PolarHBondContact O-N 2.94Å; C469-G473 VanDerWaalsContact O-N 3.15Å; C469-E474 VanDerWaalsContact O-CB 3.31Å; C469-E474 WeakPolarHBondContact O-CB 3.31Å; C469-E474 PolarHBondContact O-N 3.29Å
470	A	81.6	Confident	81.4	Confident	58 Å²	58	69.5 Å²	69.5	48%	0.479	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.3	174.4	0	0	0	0	0	114	T466 E468	T466-A470 WeakPolarHBondContact O-CB 3.44Å; T466-A470 PolarHBondContact O-N 3.28Å; E468-A470 VanDerWaalsContact C-N 3.27Å; E468-A470 PolarHBondContact O-N 3.25Å
471	K	80.7	Confident	81.6	Confident	167 Å²	167	67.6 Å²	67.6	73%	0.726	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-43.5	171.5	-61.5	164.1	-168.8	157.6	0	111	E467 E468 C469	E467-K471 WeakPolarHBondContact O-CG 3.34Å; E468-K471 WeakPolarHBondContact O-CA 3.27Å; E468-K471 WeakPolarHBondContact O-CB 3.29Å; E468-K471 PolarHBondContact O-N 3.18Å; C469-K471 PolarHBondContact O-N 2.65Å
472	E	74.6	Confident	81.8	Confident	70 Å²	70	69.4 Å²	69.4	33%	0.327	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.1	94.5	-172.4	-161.8	-177.2	141.6	0	0	111.2	R235 E468 C469 N490 G491	R235-E472 IonicContact NH2-OE2 2.67Å; R235-E472 PolarHBondContact NH2-OE2 2.87Å; E468-E472 PolarHBondContact O-N 2.89Å; C469-E472 CarbonylContact O-C 3.6Å; C469-E472 VanDerWaalsContact O-C 3.28Å; C469-E472 PolarHBondContact O-N 3.23Å; E472-N490 HydrophobicContact CG-CB 4.45Å; E472-G491 PolarHBondContact OE1-N 3.2Å
473	G	79.9	Confident	82.2	Confident	10 Å²	10	71.1 Å²	71.1	10%	0.103	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	134.7	-18.3	170.4	0	0	0	0	0	116.8	C469 N475 C476 C477	C469-G473 PolarHBondContact O-N 2.94Å; C469-G473 VanDerWaalsContact O-N 3.15Å; G473-N475 VanDerWaalsContact C-N 3.28Å; G473-N475 PolarHBondContact O-N 3.28Å; G473-N475 VanDerWaalsContact O-N 3.13Å; G473-C476 CarbonylContact O-C 3.54Å; G473-C476 WeakPolarHBondContact O-CA 3.29Å; G473-C476 WeakPolarHBondContact O-CB 2.98Å; G473-C476 PolarHBondContact O-N 2.93Å; G473-C477 PolarHBondContact O-N 3Å
474	E	81.5	Confident	82.6	Confident	119 Å²	119	80.9 Å²	80.9	56%	0.556	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-37.7	-174.3	179	-177.7	-161.1	0	0	114.2	C469 C476	C469-E474 VanDerWaalsContact O-CB 3.31Å; C469-E474 WeakPolarHBondContact O-CB 3.31Å; C469-E474 PolarHBondContact O-N 3.29Å; E474-C476 VanDerWaalsContact C-N 3.26Å; E474-C476 PolarHBondContact O-N 3.27Å
475	N	85.1	Confident	82.9	Confident	135 Å²	135	83.4 Å²	83.4	72%	0.722	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-17.7	178.3	-64.5	-61.6	0	0	0	113.3	G473 T483	G473-N475 VanDerWaalsContact C-N 3.28Å; G473-N475 PolarHBondContact O-N 3.28Å; G473-N475 VanDerWaalsContact O-N 3.13Å; N475-T483 PolarHBondContact O-OG1 3.42Å
476	C	88.1	Confident	83.6	Confident	10 Å²	10	81.9 Å²	81.9	7%	0.068	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-36.1	-166.7	-51.5	0	0	0	0	112.6	G473 E474 T483 C488 C497	G473-C476 CarbonylContact O-C 3.54Å; G473-C476 WeakPolarHBondContact O-CA 3.29Å; G473-C476 WeakPolarHBondContact O-CB 2.98Å; G473-C476 PolarHBondContact O-N 2.93Å; E474-C476 VanDerWaalsContact C-N 3.26Å; E474-C476 PolarHBondContact O-N 3.27Å; C476-T483 WeakPolarHBondContact CA-OG1 3.46Å; C476-T483 PolarHBondContact O-N 2.9Å; C476-T483 PolarHBondContact O-OG1 3.19Å; C476-T483 VanDerWaalsContact O-OG1 3.07Å; C476-C488 WeakPolarHBondContact CB-O 3.31Å; C476-C497 WeakPolarHBondContact CA-SG 3.43Å; C476-C497 HydrophobicContact CB-CB 3.52Å; C476-C497 WeakPolarHBondContact CB-SG 3.28Å; C476-C497 WeakPolarHBondContact SG-CA 3.33Å; C476-C497 WeakPolarHBondContact SG-CB 3.23Å; C476-C497 PolarHBondContact SG-N 3.45Å; C476-C497 CovalentContact SG-SG 2.03Å; C476-C497 PolarHBondContact SG-SG 2.82Å
477	C	87.9	Confident	84	Confident	6 Å²	6	80.4 Å²	80.4	4%	0.041	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.5	-177.2	-166.5	0	0	0	0	110.4	C461 C463 G473 S489	C461-C477 VanDerWaalsContact C-SG 3.53Å; C461-C477 HydrophobicContact CB-CB 3.79Å; C461-C477 WeakPolarHBondContact CB-SG 3.32Å; C461-C477 PolarHBondContact O-SG 3.49Å; C461-C477 WeakPolarHBondContact SG-CA 3.36Å; C461-C477 WeakPolarHBondContact SG-CB 3.24Å; C461-C477 CovalentContact SG-SG 2.04Å; C461-C477 PolarHBondContact SG-SG 2.89Å; C463-C477 HydrophobicContact CB-CB 4.32Å; G473-C477 PolarHBondContact O-N 3Å; C477-S489 VanDerWaalsContact CB-OG 3.28Å; C477-S489 WeakPolarHBondContact CB-OG 3.49Å
478	K	87.2	Confident	84.5	Confident	155 Å²	155	74 Å²	74	67%	0.674	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	119.7	175.9	-172.5	169.3	-170.9	169.8	0	109.7	C480 T481 T483	K478-C480 PolarHBondContact O-N 2.88Å; K478-T481 PolarHBondContact N-O 2.92Å; K478-T481 PolarHBondContact O-N 2.75Å; K478-T481 VanDerWaalsContact O-N 3.11Å; K478-T481 PolarHBondContact O-OG1 3.38Å; K478-T483 HydrophobicContact CB-CG2 4.12Å
479	N	86.1	Confident	85	Confident	142 Å²	142	69.3 Å²	69.3	76%	0.759	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	43.1	-177.9	-160.3	96	0	0	0	111.4	C450 T481	C450-N479 VanDerWaalsContact SG-C 3.5Å; N479-T481 PolarHBondContact O-N 3.14Å; N479-T481 VanDerWaalsContact O-N 3.08Å
480	C	85.6	Confident	84.7	Confident	6 Å²	6	70 Å²	70	4%	0.041	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	25.6	-177.7	-57.4	0	0	0	0	116.7	C450 E459 E460 C461 K478	C450-C480 WeakPolarHBondContact CA-SG 3.48Å; C450-C480 HydrophobicContact CB-CB 3.6Å; C450-C480 WeakPolarHBondContact CB-SG 3.28Å; C450-C480 WeakPolarHBondContact SG-CB 3.33Å; C450-C480 PolarHBondContact SG-N 3.43Å; C450-C480 CovalentContact SG-SG 2.03Å; C450-C480 PolarHBondContact SG-SG 2.85Å; E459-C480 HydrophobicContact CB-CB 4.03Å; E459-C480 HydrophobicContact CG-CB 3.8Å; E460-C480 PolarHBondContact N-O 3.08Å; C461-C480 PolarHBondContact N-O 3.37Å; C461-C480 CarbonylContact O-C 3.57Å; C461-C480 WeakPolarHBondContact O-CA 3.33Å; C461-C480 WeakPolarHBondContact O-CB 3.49Å; C461-C480 PolarHBondContact O-SG 3.16Å; C461-C480 VanDerWaalsContact O-SG 3.4Å; K478-C480 PolarHBondContact O-N 2.88Å
481	T	87.3	Confident	84.6	Confident	75 Å²	75	67.8 Å²	67.8	46%	0.46	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.8	166.7	61.6	0	0	0	0	109.8	C461 K478 N479	C461-T481 PolarHBondContact SG-O 3Å; C461-T481 VanDerWaalsContact SG-O 3.34Å; K478-T481 PolarHBondContact N-O 2.92Å; K478-T481 PolarHBondContact O-N 2.75Å; K478-T481 VanDerWaalsContact O-N 3.11Å; K478-T481 PolarHBondContact O-OG1 3.38Å; N479-T481 PolarHBondContact O-N 3.14Å; N479-T481 VanDerWaalsContact O-N 3.08Å
482	L	88.3	Confident	84.7	Confident	42 Å²	42	62.2 Å²	62.2	22%	0.22	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.3	-179.8	-77.6	168.2	0	0	0	110.1	E460 C461	E460-L482 HydrophobicContact CB-CB 4.35Å; E460-L482 HydrophobicContact CB-CD1 4.07Å; E460-L482 HydrophobicContact CB-CG 3.91Å; E460-L482 PolarHBondContact OE2-N 2.77Å; C461-L482 HydrophobicContact CB-CD2 3.75Å; C461-L482 HydrophobicContact CB-CG 4.06Å
483	T	89.3	Confident	85.4	Confident	40 Å²	40	58.9 Å²	58.9	25%	0.245	32%	0.32	C	S	.	.			trans	-66.6	151.8	174.9	57.9	0	0	0	0	110.5	N475 C476 K478 G485 S486	N475-T483 PolarHBondContact O-OG1 3.42Å; C476-T483 WeakPolarHBondContact CA-OG1 3.46Å; C476-T483 PolarHBondContact O-N 2.9Å; C476-T483 PolarHBondContact O-OG1 3.19Å; C476-T483 VanDerWaalsContact O-OG1 3.07Å; K478-T483 HydrophobicContact CB-CG2 4.12Å; T483-G485 PolarHBondContact O-N 2.91Å; T483-S486 VanDerWaalsContact O-CB 3.24Å; T483-S486 WeakPolarHBondContact O-CB 3.4Å; T483-S486 PolarHBondContact O-N 2.91Å; T483-S486 PolarHBondContact O-OG 3.43Å; T483-S486 PolarHBondContact OG1-OG 3.49Å
484	K	86.2	Confident	85.7	Confident	221 Å²	221	59.4 Å²	59.4	96%	0.961	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	115.1	-174.2	-75.9	-170.8	176.3	-177.5	0	112
485	G	84.3	Confident	86	Confident	60 Å²	60	61.3 Å²	61.3	62%	0.619	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	-5.4	-178.6	0	0	0	0	0	114.2	T483 Q498	T483-G485 PolarHBondContact O-N 2.91Å; G485-Q498 PolarHBondContact O-NE2 2.92Å
486	S	89.1	Confident	86	Confident	15 Å²	15	61.7 Å²	61.7	11%	0.105	33%	0.326	C	S	.	.			trans	-84.9	137.7	175.3	-60.4	0	0	0	0	111.2	T483 C497	T483-S486 VanDerWaalsContact O-CB 3.24Å; T483-S486 WeakPolarHBondContact O-CB 3.4Å; T483-S486 PolarHBondContact O-N 2.91Å; T483-S486 PolarHBondContact O-OG 3.43Å; T483-S486 PolarHBondContact OG1-OG 3.49Å; S486-C497 CarbonylContact C-O 3.6Å; S486-C497 WeakPolarHBondContact CA-O 3.48Å; S486-C497 WeakPolarHBondContact OG-CB 3.28Å
487	N	87.9	Confident	86	Confident	98 Å²	98	61.9 Å²	61.9	52%	0.524	33%	0.327	S	S	.	.	S	Bend	trans	-113.1	-8	176.7	-71	-49.6	0	0	0	112.6	C497 Q498 M499	N487-C497 PolarHBondContact N-O 2.89Å; N487-Q498 PolarHBondContact ND2-OE1 3.15Å; N487-M499 HydrophobicContact CB-CG 4.35Å
488	C	86.5	Confident	86.1	Confident	6 Å²	6	65.5 Å²	65.5	4%	0.041	34%	0.343	C	S	.	.			trans	-155.7	168.3	174.8	63.6	0	0	0	0	110.1	C476 C494 C497 Q498 M499	C476-C488 WeakPolarHBondContact CB-O 3.31Å; C488-C494 HydrophobicContact CB-CB 3.79Å; C488-C494 WeakPolarHBondContact CB-SG 3.46Å; C488-C494 WeakPolarHBondContact SG-CA 3.4Å; C488-C494 WeakPolarHBondContact SG-CB 3.24Å; C488-C494 CovalentContact SG-SG 2.03Å; C488-C494 PolarHBondContact SG-SG 2.93Å; C488-C497 PolarHBondContact N-O 2.97Å; C488-C497 WeakPolarHBondContact O-CA 3.01Å; C488-C497 VanDerWaalsContact SG-C 3.51Å; C488-Q498 PolarHBondContact SG-O 2.78Å; C488-M499 HydrophobicContact CB-CE 4.35Å; C488-M499 HydrophobicContact CB-SD 3.94Å
489	S	84.1	Confident	86.1	Confident	7 Å²	7	60.7 Å²	60.7	5%	0.049	32%	0.324	C	S	.	.			trans	-111.2	-64	179.8	171	0	0	0	0	112.8	C463 C477 C494	C463-S489 WeakPolarHBondContact CB-OG 3.42Å; C477-S489 VanDerWaalsContact CB-OG 3.28Å; C477-S489 WeakPolarHBondContact CB-OG 3.49Å; S489-C494 VanDerWaalsContact C-SG 3.54Å
490	N	77.8	Confident	86.2	Confident	28 Å²	28	55.6 Å²	55.6	15%	0.15	30%	0.296	C	S	.	.	S	Bend	trans	-140.3	166.4	-169.8	58.5	-22.2	0	0	0	110.2	D462 C463 E472 S524	D462-N490 VanDerWaalsContact O-CG 3.26Å; D462-N490 PolarHBondContact O-ND2 3.02Å; D462-N490 PolarHBondContact O-OD1 3.41Å; D462-N490 VanDerWaalsContact O-OD1 3.05Å; C463-N490 WeakPolarHBondContact CA-ND2 3.05Å; E472-N490 HydrophobicContact CG-CB 4.45Å; N490-S524 WeakPolarHBondContact O-CB 3.5Å; N490-S524 PolarHBondContact O-OG 3.26Å; N490-S524 VanDerWaalsContact O-OG 3.12Å
491	G	78.8	Confident	86.1	Confident	11 Å²	11	60.1 Å²	60.1	11%	0.113	32%	0.323	C	S	.	.	S	Bend	trans	108.7	159.6	175.5	0	0	0	0	0	113.1	E472 C493 C494 S524	E472-G491 PolarHBondContact OE1-N 3.2Å; G491-C493 PolarHBondContact O-N 2.78Å; G491-C494 WeakPolarHBondContact O-CB 3.29Å; G491-C494 PolarHBondContact O-N 3.41Å; G491-S524 CarbonylContact C-O 3.54Å; G491-S524 VanDerWaalsContact C-O 3.25Å; G491-S524 WeakPolarHBondContact CA-O 3.38Å
492	L	83	Confident	85.9	Confident	51 Å²	51	60.5 Å²	60.5	27%	0.267	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.5	-170.6	-59.9	176.4	0	0	0	114.6	C506 S524 C526	L492-C506 HydrophobicContact CB-CB 3.94Å; L492-S524 PolarHBondContact N-O 2.97Å; L492-C526 HydrophobicContact CB-CB 4.37Å; L492-C526 HydrophobicContact CD1-CB 4.14Å
493	C	88.5	Confident	85.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	16.1	176.4	-66.7	0	0	0	0	113.6	G491 E500 C506 C519 S523 S524	G491-C493 PolarHBondContact O-N 2.78Å; C493-E500 PolarHBondContact O-N 2.99Å; C493-C506 VanDerWaalsContact SG-SG 3.64Å; C493-C519 WeakPolarHBondContact CA-SG 3.39Å; C493-C519 HydrophobicContact CB-CB 3.69Å; C493-C519 WeakPolarHBondContact CB-SG 3.37Å; C493-C519 WeakPolarHBondContact SG-CA 3.13Å; C493-C519 WeakPolarHBondContact SG-CB 3.37Å; C493-C519 CovalentContact SG-SG 2.04Å; C493-C519 PolarHBondContact SG-SG 3.33Å; C493-S523 VanDerWaalsContact CB-O 3.32Å; C493-S523 WeakPolarHBondContact CB-O 3.03Å; C493-S524 WeakPolarHBondContact CA-O 3.28Å; C493-S524 WeakPolarHBondContact CB-O 3.47Å; C493-S524 PolarHBondContact N-O 2.83Å
494	C	87.8	Confident	85.4	Confident	21 Å²	21	59.7 Å²	59.7	14%	0.142	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.4	172.5	-169.6	0	0	0	0	111.2	C488 S489 G491	C488-C494 HydrophobicContact CB-CB 3.79Å; C488-C494 WeakPolarHBondContact CB-SG 3.46Å; C488-C494 WeakPolarHBondContact SG-CA 3.4Å; C488-C494 WeakPolarHBondContact SG-CB 3.24Å; C488-C494 CovalentContact SG-SG 2.03Å; C488-C494 PolarHBondContact SG-SG 2.93Å; S489-C494 VanDerWaalsContact C-SG 3.54Å; G491-C494 WeakPolarHBondContact O-CB 3.29Å; G491-C494 PolarHBondContact O-N 3.41Å
495	R	86.9	Confident	85.5	Confident	158 Å²	158	53.1 Å²	53.1	60%	0.596	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	125.7	176.4	-169.5	175	-178.1	-176.4	1.5	112	C497 Q498 E500	R495-C497 PolarHBondContact O-N 3.37Å; R495-Q498 PolarHBondContact N-O 3.38Å; R495-Q498 PolarHBondContact O-N 3.29Å; R495-E500 HydrophobicContact CB-CG 3.97Å; R495-E500 WeakPolarHBondContact CD-OE1 3.21Å; R495-E500 IonicContact CZ-OE1 3.87Å; R495-E500 IonicContact NE-OE1 3.61Å; R495-E500 IonicContact NH1-OE1 2.85Å; R495-E500 PolarHBondContact NH1-OE1 3.43Å; R495-E500 VanDerWaalsContact NH1-OE1 3.07Å
496	N	86.1	Confident	85.6	Confident	144 Å²	144	50.8 Å²	50.8	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	43.2	-175.5	-55.8	-21.5	0	0	0	111.8	Q498	N496-Q498 PolarHBondContact O-N 3.16Å
497	C	88.1	Confident	85.5	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.095	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	13.3	-177.1	-35.5	0	0	0	0	115.7	C476 S486 N487 C488 R495	C476-C497 WeakPolarHBondContact CA-SG 3.43Å; C476-C497 HydrophobicContact CB-CB 3.52Å; C476-C497 WeakPolarHBondContact CB-SG 3.28Å; C476-C497 WeakPolarHBondContact SG-CA 3.33Å; C476-C497 WeakPolarHBondContact SG-CB 3.23Å; C476-C497 PolarHBondContact SG-N 3.45Å; C476-C497 CovalentContact SG-SG 2.03Å; C476-C497 PolarHBondContact SG-SG 2.82Å; S486-C497 CarbonylContact C-O 3.6Å; S486-C497 WeakPolarHBondContact CA-O 3.48Å; S486-C497 WeakPolarHBondContact OG-CB 3.28Å; N487-C497 PolarHBondContact N-O 2.89Å; C488-C497 PolarHBondContact N-O 2.97Å; C488-C497 WeakPolarHBondContact O-CA 3.01Å; C488-C497 VanDerWaalsContact SG-C 3.51Å; R495-C497 PolarHBondContact O-N 3.37Å
498	Q	88.6	Confident	85.5	Confident	82 Å²	82	49.8 Å²	49.8	38%	0.383	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.2	173.3	-60.2	-55.9	-40.8	0	0	111	G485 N487 C488 R495 N496 E500	G485-Q498 PolarHBondContact O-NE2 2.92Å; N487-Q498 PolarHBondContact ND2-OE1 3.15Å; C488-Q498 PolarHBondContact SG-O 2.78Å; R495-Q498 PolarHBondContact N-O 3.38Å; R495-Q498 PolarHBondContact O-N 3.29Å; N496-Q498 PolarHBondContact O-N 3.16Å; Q498-E500 PolarHBondContact O-N 3.42Å
499	M	87.9	Confident	85.6	Confident	54 Å²	54	51.5 Å²	51.5	27%	0.266	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	130.9	168.7	-67.7	-67.5	-164.9	0	0	109.4	N487 C488	N487-M499 HydrophobicContact CB-CG 4.35Å; C488-M499 HydrophobicContact CB-CE 4.35Å; C488-M499 HydrophobicContact CB-SD 3.94Å
500	E	87.7	Confident	85.8	Confident	35 Å²	35	53.3 Å²	53.3	16%	0.164	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-63.9	147.8	169.8	-88.6	-71.7	-167	0	0	110.3	C493 R495 Q498 V504 C519 G521	C493-E500 PolarHBondContact O-N 2.99Å; R495-E500 HydrophobicContact CB-CG 3.97Å; R495-E500 WeakPolarHBondContact CD-OE1 3.21Å; R495-E500 IonicContact CZ-OE1 3.87Å; R495-E500 IonicContact NE-OE1 3.61Å; R495-E500 IonicContact NH1-OE1 2.85Å; R495-E500 PolarHBondContact NH1-OE1 3.43Å; R495-E500 VanDerWaalsContact NH1-OE1 3.07Å; Q498-E500 PolarHBondContact O-N 3.42Å; E500-V504 HydrophobicContact CB-CB 4.17Å; E500-V504 HydrophobicContact CB-CG1 4.17Å; E500-V504 HydrophobicContact CB-CG2 4.31Å; E500-V504 HydrophobicContact CG-CG1 4.23Å; E500-C519 HydrophobicContact CB-CB 4.38Å; E500-G521 WeakPolarHBondContact O-CA 3.34Å
501	V	84	Confident	86.3	Confident	100 Å²	100	53.4 Å²	53.4	61%	0.606	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-68.2	148.8	-172.5	-64.7	0	0	0	0	111.9	G503 V504	V501-G503 PolarHBondContact O-N 2.84Å; V501-V504 HydrophobicContact CG2-CG2 3.6Å; V501-V504 WeakPolarHBondContact O-CB 3.45Å; V501-V504 VanDerWaalsContact O-CG2 3.31Å; V501-V504 WeakPolarHBondContact O-CG2 3.14Å; V501-V504 PolarHBondContact O-N 2.69Å
502	V	83.9	Confident	86.8	Confident	84 Å²	84	57.1 Å²	57.1	51%	0.509	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	124.1	-179.3	-168.6	0	0	0	0	110.5	C519	V502-C519 WeakPolarHBondContact CA-O 3.4Å
503	G	81.1	Confident	87.2	Confident	22 Å²	22	54.7 Å²	54.7	23%	0.227	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-2.4	-179.8	0	0	0	0	0	115.7	V501 L505 C519	V501-G503 PolarHBondContact O-N 2.84Å; G503-L505 PolarHBondContact O-N 3.41Å; G503-C519 PolarHBondContact N-O 3.09Å
504	V	86	Confident	87.4	Confident	42 Å²	42	55 Å²	55	26%	0.255	30%	0.299	S	S	.	.			trans	-63.9	130.4	167.8	168.9	0	0	0	0	109.6	E500 V501 C506 K518 C519	E500-V504 HydrophobicContact CB-CB 4.17Å; E500-V504 HydrophobicContact CB-CG1 4.17Å; E500-V504 HydrophobicContact CB-CG2 4.31Å; E500-V504 HydrophobicContact CG-CG1 4.23Å; V501-V504 HydrophobicContact CG2-CG2 3.6Å; V501-V504 WeakPolarHBondContact O-CB 3.45Å; V501-V504 VanDerWaalsContact O-CG2 3.31Å; V501-V504 WeakPolarHBondContact O-CG2 3.14Å; V501-V504 PolarHBondContact O-N 2.69Å; V504-C506 PolarHBondContact O-N 3.36Å; V504-K518 CarbonylContact O-C 3.58Å; V504-K518 WeakPolarHBondContact O-CA 3.41Å; V504-K518 WeakPolarHBondContact O-CB 2.95Å; V504-C519 HydrophobicContact CB-CB 4.29Å; V504-C519 PolarHBondContact O-N 3.01Å
505	L	87.6	Confident	87.5	Confident	83 Å²	83	54.5 Å²	54.5	44%	0.435	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-72.4	121.4	-179.9	-172.2	65	0	0	0	110.2	G503 R507 D508 P516 K518	G503-L505 PolarHBondContact O-N 3.41Å; L505-R507 WeakPolarHBondContact CD1-O 3.49Å; L505-D508 WeakPolarHBondContact CD2-OD1 3.36Å; L505-P516 HydrophobicContact CD1-CB 3.6Å; L505-K518 HydrophobicContact CD1-CG 4.41Å
506	C	86.9	Confident	87.7	Confident	12 Å²	12	49.3 Å²	49.3	8%	0.081	28%	0.282	C	S	.	.	S	Bend	trans	-105.8	-33.4	176.8	51.3	0	0	0	0	113.1	L492 C493 V504 E517 C526	L492-C506 HydrophobicContact CB-CB 3.94Å; C493-C506 VanDerWaalsContact SG-SG 3.64Å; V504-C506 PolarHBondContact O-N 3.36Å; C506-E517 PolarHBondContact N-O 2.74Å; C506-E517 PolarHBondContact SG-O 3.02Å; C506-C526 HydrophobicContact CB-CB 3.72Å; C506-C526 WeakPolarHBondContact CB-SG 3.4Å; C506-C526 VanDerWaalsContact SG-CA 3.53Å; C506-C526 WeakPolarHBondContact SG-CB 3.42Å; C506-C526 CovalentContact SG-SG 2.04Å; C506-C526 PolarHBondContact SG-SG 2.96Å
507	R	87.2	Confident	87.8	Confident	12 Å²	12	42.9 Å²	42.9	5%	0.045	25%	0.247	C	C	.	.	S	Bend	trans	-126.1	134.9	170.2	-166.2	-174.2	67.5	91.7	-2.5	110.3	L505 D514 I515 E517 N529	L505-R507 WeakPolarHBondContact CD1-O 3.49Å; R507-D514 IonicContact CZ-OD1 3.88Å; R507-D514 IonicContact CZ-OD2 3.39Å; R507-D514 IonicContact NH1-OD1 3.51Å; R507-D514 IonicContact NH1-OD2 3.52Å; R507-D514 PolarHBondContact NH1-OD2 2.03Å; R507-D514 VanDerWaalsContact NH2-CG 3.33Å; R507-D514 IonicContact NH2-OD1 2.66Å; R507-D514 PolarHBondContact NH2-OD1 2.89Å; R507-D514 IonicContact NH2-OD2 3.89Å; R507-D514 PolarHBondContact NH2-OD2 2.89Å; R507-D514 VanDerWaalsContact NH2-OD2 3.16Å; R507-I515 PolarHBondContact NH2-O 2.93Å; R507-E517 IonicContact CZ-OE1 3.22Å; R507-E517 IonicContact CZ-OE2 3.94Å; R507-E517 PolarHBondContact N-O 2.76Å; R507-E517 IonicContact NE-OE1 2.78Å; R507-E517 IonicContact NE-OE2 3.29Å; R507-E517 PolarHBondContact NE-OE2 2.84Å; R507-E517 IonicContact NH2-OE1 3.78Å; R507-E517 PolarHBondContact NH2-OE1 2.86Å; R507-E517 IonicContact NH2-OE2 3.77Å; R507-E517 PolarHBondContact NH2-OE2 3.33Å; R507-E517 PolarHBondContact O-N 2.83Å; R507-N529 PolarHBondContact NH2-OD1 3.38Å; R507-N529 VanDerWaalsContact NH2-OD1 3.1Å
508	D	87.5	Confident	87.8	Confident	79 Å²	79	45.8 Å²	45.8	42%	0.422	26%	0.259	S	S	.	.			trans	-78.5	144.1	171.6	-74.5	-56.9	0	0	0	110	S234 L505	S234-D508 WeakPolarHBondContact CB-OD2 3.35Å; S234-D508 PolarHBondContact OG-OD2 3.33Å; L505-D508 WeakPolarHBondContact CD2-OD1 3.36Å
509	A	88.9	Confident	87.8	Confident	42 Å²	42	42 Å²	42	35%	0.347	24%	0.241	S	C	.	.			trans	-71.1	130	174.7	0	0	0	0	0	110.8	D514 P516	A509-D514 VanDerWaalsContact CA-OD2 3.32Å; A509-D514 WeakPolarHBondContact CA-OD2 3.25Å; A509-D514 HydrophobicContact CB-CB 4.07Å; A509-P516 HydrophobicContact CB-CB 4.13Å; A509-P516 HydrophobicContact CB-CG 4.44Å
510	V	87.6	Confident	87.6	Confident	45 Å²	45	42.4 Å²	42.4	27%	0.273	25%	0.246	S	C	.	.	S	Bend	trans	-74.1	-29.7	-176.6	-57	0	0	0	0	113.2	V237 D514	V237-V510 HydrophobicContact CB-CG1 4.41Å; V237-V510 HydrophobicContact CG2-CG1 3.53Å; V510-D514 HydrophobicContact CG2-CB 4.12Å; V510-D514 PolarHBondContact N-OD2 3.17Å
511	N	87.6	Confident	87.4	Confident	30 Å²	30	42 Å²	42	16%	0.16	25%	0.252	C	S	.	.	S	Bend	trans	-151.4	177.9	-175.4	71.6	21.8	0	0	0	111.7	S431 C513 D514 G548	S431-N511 PolarHBondContact O-ND2 2.88Å; N511-C513 PolarHBondContact O-N 3.43Å; N511-C513 VanDerWaalsContact O-N 3.17Å; N511-C513 VanDerWaalsContact OD1-C 3.32Å; N511-C513 VanDerWaalsContact OD1-CA 3.24Å; N511-C513 WeakPolarHBondContact OD1-CA 3.41Å; N511-C513 VanDerWaalsContact OD1-CB 3.31Å; N511-C513 WeakPolarHBondContact OD1-CB 3.49Å; N511-C513 PolarHBondContact OD1-N 2.72Å; N511-D514 PolarHBondContact O-N 3.4Å; N511-D514 WeakPolarHBondContact OD1-CB 3.37Å; N511-D514 PolarHBondContact OD1-N 2.86Å; N511-G548 PolarHBondContact ND2-O 3.16Å
512	D	90.4	Very high	87.3	Confident	89 Å²	89	43.3 Å²	43.3	48%	0.476	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.4	176.8	-75.4	-10.7	0	0	0	114.5	K532 C538 E539	D512-K532 VanDerWaalsContact O-CE 3.31Å; D512-K532 WeakPolarHBondContact O-CE 3.3Å; D512-K532 PolarHBondContact O-NZ 3.12Å; D512-C538 HydrophobicContact CB-CB 3.75Å; D512-E539 PolarHBondContact OD2-N 3.13Å
513	C	91.9	Very high	87.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-9.4	-178.4	-66.8	0	0	0	0	114	N511 K532 C545 G548	N511-C513 PolarHBondContact O-N 3.43Å; N511-C513 VanDerWaalsContact O-N 3.17Å; N511-C513 VanDerWaalsContact OD1-C 3.32Å; N511-C513 VanDerWaalsContact OD1-CA 3.24Å; N511-C513 WeakPolarHBondContact OD1-CA 3.41Å; N511-C513 VanDerWaalsContact OD1-CB 3.31Å; N511-C513 WeakPolarHBondContact OD1-CB 3.49Å; N511-C513 PolarHBondContact OD1-N 2.72Å; C513-K532 VanDerWaalsContact O-CB 3.29Å; C513-K532 WeakPolarHBondContact O-CB 3.41Å; C513-K532 VanDerWaalsContact O-CG 3.27Å; C513-K532 WeakPolarHBondContact O-CG 3.15Å; C513-K532 PolarHBondContact O-N 3.36Å; C513-C545 WeakPolarHBondContact CA-SG 3.15Å; C513-C545 HydrophobicContact CB-CB 3.64Å; C513-C545 WeakPolarHBondContact CB-SG 3.39Å; C513-C545 WeakPolarHBondContact SG-CA 2.99Å; C513-C545 WeakPolarHBondContact SG-CB 3.42Å; C513-C545 CovalentContact SG-SG 2.03Å; C513-C545 PolarHBondContact SG-SG 3.08Å; C513-G548 WeakPolarHBondContact CB-O 3.34Å
514	D	91.6	Very high	87.3	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-90.7	160.2	-178.9	-168.9	17	0	0	0	110.7	R507 A509 V510 N511 K532	R507-D514 IonicContact CZ-OD1 3.88Å; R507-D514 IonicContact CZ-OD2 3.39Å; R507-D514 IonicContact NH1-OD1 3.51Å; R507-D514 IonicContact NH1-OD2 3.52Å; R507-D514 PolarHBondContact NH1-OD2 2.03Å; R507-D514 VanDerWaalsContact NH2-CG 3.33Å; R507-D514 IonicContact NH2-OD1 2.66Å; R507-D514 PolarHBondContact NH2-OD1 2.89Å; R507-D514 IonicContact NH2-OD2 3.89Å; R507-D514 PolarHBondContact NH2-OD2 2.89Å; R507-D514 VanDerWaalsContact NH2-OD2 3.16Å; A509-D514 VanDerWaalsContact CA-OD2 3.32Å; A509-D514 WeakPolarHBondContact CA-OD2 3.25Å; A509-D514 HydrophobicContact CB-CB 4.07Å; V510-D514 HydrophobicContact CG2-CB 4.12Å; V510-D514 PolarHBondContact N-OD2 3.17Å; N511-D514 PolarHBondContact O-N 3.4Å; N511-D514 WeakPolarHBondContact OD1-CB 3.37Å; N511-D514 PolarHBondContact OD1-N 2.86Å; D514-K532 WeakPolarHBondContact O-CE 3.14Å
515	I	91	Very high	87.1	Confident	10 Å²	10	44 Å²	44	5%	0.051	25%	0.252	C	S	.	.			trans	-116.5	126.7	177.4	-54.7	176.9	0	0	0	108.5	R507 E517 V530 K532 V696 V704	R507-I515 PolarHBondContact NH2-O 2.93Å; I515-E517 VanDerWaalsContact O-CD 3.26Å; I515-E517 PolarHBondContact O-N 3.19Å; I515-E517 VanDerWaalsContact O-OE1 3.14Å; I515-V530 VanDerWaalsContact CB-O 3.27Å; I515-V530 WeakPolarHBondContact CB-O 3.47Å; I515-V530 PolarHBondContact N-O 3.28Å; I515-K532 HydrophobicContact CD1-CG 4.19Å; I515-K532 HydrophobicContact CG1-CG 3.73Å; I515-V696 HydrophobicContact CD1-CG1 4.03Å; I515-V696 HydrophobicContact CG1-CG1 4.4Å; I515-V704 HydrophobicContact CD1-CG2 4.09Å; I515-V704 HydrophobicContact CG2-CB 4.35Å; I515-V704 HydrophobicContact CG2-CG1 3.97Å; I515-V704 HydrophobicContact CG2-CG2 4.36Å
516	P	90.2	Very high	86.9	Confident	49 Å²	49	41.4 Å²	41.4	32%	0.318	24%	0.24	S	C	.	.			trans	-73.8	115.5	179.5	26.8	-31.5	0	0	0	111.6	L505 A509	L505-P516 HydrophobicContact CD1-CB 3.6Å; A509-P516 HydrophobicContact CB-CB 4.13Å; A509-P516 HydrophobicContact CB-CG 4.44Å
517	E	89.1	Confident	86.9	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.047	25%	0.249	C	C	.	.			trans	-74.3	140.3	-179.9	-66.8	74.7	-169.6	0	0	112.4	C506 R507 I515 P527 N529 V530	C506-E517 PolarHBondContact N-O 2.74Å; C506-E517 PolarHBondContact SG-O 3.02Å; R507-E517 IonicContact CZ-OE1 3.22Å; R507-E517 IonicContact CZ-OE2 3.94Å; R507-E517 PolarHBondContact N-O 2.76Å; R507-E517 IonicContact NE-OE1 2.78Å; R507-E517 IonicContact NE-OE2 3.29Å; R507-E517 PolarHBondContact NE-OE2 2.84Å; R507-E517 IonicContact NH2-OE1 3.78Å; R507-E517 PolarHBondContact NH2-OE1 2.86Å; R507-E517 IonicContact NH2-OE2 3.77Å; R507-E517 PolarHBondContact NH2-OE2 3.33Å; R507-E517 PolarHBondContact O-N 2.83Å; I515-E517 VanDerWaalsContact O-CD 3.26Å; I515-E517 PolarHBondContact O-N 3.19Å; I515-E517 VanDerWaalsContact O-OE1 3.14Å; E517-P527 HydrophobicContact CB-CB 4.46Å; E517-P527 HydrophobicContact CG-CB 4.3Å; E517-N529 VanDerWaalsContact OE1-CA 3.29Å; E517-N529 WeakPolarHBondContact OE1-CA 3.46Å; E517-V530 PolarHBondContact OE1-N 3.18Å
518	K	88.1	Confident	86.7	Confident	75 Å²	75	46.3 Å²	46.3	33%	0.326	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-126.1	140.8	-177.5	-64.1	166.2	-169	163.7	0	109.9	V504 L505 T520 P527	V504-K518 CarbonylContact O-C 3.58Å; V504-K518 WeakPolarHBondContact O-CA 3.41Å; V504-K518 WeakPolarHBondContact O-CB 2.95Å; L505-K518 HydrophobicContact CD1-CG 4.41Å; K518-T520 PolarHBondContact O-N 2.67Å; K518-P527 WeakPolarHBondContact O-CG 3.49Å
519	C	87.1	Confident	86.6	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	26%	0.259	C	S	.	.			trans	-51.4	129.2	172.9	-58.7	0	0	0	0	110.6	C493 E500 V502 G503 V504 G521	C493-C519 WeakPolarHBondContact CA-SG 3.39Å; C493-C519 HydrophobicContact CB-CB 3.69Å; C493-C519 WeakPolarHBondContact CB-SG 3.37Å; C493-C519 WeakPolarHBondContact SG-CA 3.13Å; C493-C519 WeakPolarHBondContact SG-CB 3.37Å; C493-C519 CovalentContact SG-SG 2.04Å; C493-C519 PolarHBondContact SG-SG 3.33Å; E500-C519 HydrophobicContact CB-CB 4.38Å; V502-C519 WeakPolarHBondContact CA-O 3.4Å; G503-C519 PolarHBondContact N-O 3.09Å; V504-C519 HydrophobicContact CB-CB 4.29Å; V504-C519 PolarHBondContact O-N 3.01Å; C519-G521 VanDerWaalsContact C-N 3.26Å; C519-G521 PolarHBondContact O-N 2.67Å
520	T	83.6	Confident	86.6	Confident	62 Å²	62	42.7 Å²	42.7	38%	0.38	25%	0.249	S	C	.	.			trans	-80	-8.3	178.5	50.4	0	0	0	0	112.8	K518 N522 P527	K518-T520 PolarHBondContact O-N 2.67Å; T520-N522 WeakPolarHBondContact CB-OD1 3.21Å; T520-N522 PolarHBondContact O-N 2.82Å; T520-N522 PolarHBondContact OG1-OD1 3.21Å; T520-P527 HydrophobicContact CG2-CG 3.97Å
521	G	83.3	Confident	86.7	Confident	28 Å²	28	41.3 Å²	41.3	29%	0.289	24%	0.24	S	C	.	.	S	Bend	trans	71.3	2.4	-176.1	0	0	0	0	0	115.2	E500 C519	E500-G521 WeakPolarHBondContact O-CA 3.34Å; C519-G521 VanDerWaalsContact C-N 3.26Å; C519-G521 PolarHBondContact O-N 2.67Å
522	N	83.3	Confident	86.9	Confident	127 Å²	127	42.1 Å²	42.1	68%	0.679	24%	0.242	S	C	*	.	S	Bend	trans	-126.3	4.5	176.9	72.6	-15.3	0	0	0	113.5	T520	T520-N522 WeakPolarHBondContact CB-OD1 3.21Å; T520-N522 PolarHBondContact O-N 2.82Å; T520-N522 PolarHBondContact OG1-OD1 3.21Å
523	S	83.6	Confident	86.9	Confident	42 Å²	42	39 Å²	39	29%	0.294	23%	0.225	S	C	.	.			trans	-135.9	138.2	178.5	172.7	0	0	0	0	109.1	C493 Q525	C493-S523 VanDerWaalsContact CB-O 3.32Å; C493-S523 WeakPolarHBondContact CB-O 3.03Å; S523-Q525 PolarHBondContact OG-N 3.18Å; S523-Q525 PolarHBondContact OG-O 3.36Å
524	S	81.2	Confident	86.7	Confident	25 Å²	25	41 Å²	41	18%	0.175	24%	0.235	C	C	.	.	S	Bend	trans	-81.2	-22.7	173.6	70.6	0	0	0	0	112.4	N490 G491 L492 C493	N490-S524 WeakPolarHBondContact O-CB 3.5Å; N490-S524 PolarHBondContact O-OG 3.26Å; N490-S524 VanDerWaalsContact O-OG 3.12Å; G491-S524 CarbonylContact C-O 3.54Å; G491-S524 VanDerWaalsContact C-O 3.25Å; G491-S524 WeakPolarHBondContact CA-O 3.38Å; L492-S524 PolarHBondContact N-O 2.97Å; C493-S524 WeakPolarHBondContact CA-O 3.28Å; C493-S524 WeakPolarHBondContact CB-O 3.47Å; C493-S524 PolarHBondContact N-O 2.83Å
525	Q	80.9	Confident	86.5	Confident	95 Å²	95	41.2 Å²	41.2	44%	0.444	24%	0.239	S	C	.	.	S	Bend	trans	-85.1	147.2	171.9	-59.9	-60.7	-10.2	0	0	110.9	S523	S523-Q525 PolarHBondContact OG-N 3.18Å; S523-Q525 PolarHBondContact OG-O 3.36Å
526	C	84.2	Confident	86.4	Confident	28 Å²	28	42.6 Å²	42.6	19%	0.189	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.3	145.7	169.9	-162.8	0	0	0	0	109.5	L492 C506	L492-C526 HydrophobicContact CB-CB 4.37Å; L492-C526 HydrophobicContact CD1-CB 4.14Å; C506-C526 HydrophobicContact CB-CB 3.72Å; C506-C526 WeakPolarHBondContact CB-SG 3.4Å; C506-C526 VanDerWaalsContact SG-CA 3.53Å; C506-C526 WeakPolarHBondContact SG-CB 3.42Å; C506-C526 CovalentContact SG-SG 2.04Å; C506-C526 PolarHBondContact SG-SG 2.96Å
527	P	85.8	Confident	86.4	Confident	39 Å²	39	42.8 Å²	42.8	25%	0.253	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-56.4	157.8	173.4	-27.2	36.5	0	0	0	113	E517 K518 T520	E517-P527 HydrophobicContact CB-CB 4.46Å; E517-P527 HydrophobicContact CG-CB 4.3Å; K518-P527 WeakPolarHBondContact O-CG 3.49Å; T520-P527 HydrophobicContact CG2-CG 3.97Å
528	P	83.4	Confident	86.5	Confident	88 Å²	88	42.5 Å²	42.5	57%	0.571	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-54.3	142.2	173.8	-24.6	34.4	0	0	0	112.1	V530	P528-V530 PolarHBondContact O-N 2.95Å
529	N	85.6	Confident	86.5	Confident	22 Å²	22	41.8 Å²	41.8	12%	0.118	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-61.4	119.5	178.1	-177.4	-22.8	0	0	0	110.4	F438 R507 E517	F438-N529 HydrophobicContact CB-CB 4Å; F438-N529 HydrophobicContact CD2-CB 3.93Å; F438-N529 WeakPolarHBondContact CD2-ND2 3.47Å; F438-N529 WeakPolarHBondContact CE2-ND2 3.22Å; F438-N529 HydrophobicContact CG-CB 4.05Å; R507-N529 PolarHBondContact NH2-OD1 3.38Å; R507-N529 VanDerWaalsContact NH2-OD1 3.1Å; E517-N529 VanDerWaalsContact OE1-CA 3.29Å; E517-N529 WeakPolarHBondContact OE1-CA 3.46Å
530	V	89	Confident	86.3	Confident	23 Å²	23	50.9 Å²	50.9	14%	0.139	28%	0.281	C	S	.	.			trans	-129.5	135.3	179	-70.3	0	0	0	0	111.1	I515 E517 P528 E700	I515-V530 VanDerWaalsContact CB-O 3.27Å; I515-V530 WeakPolarHBondContact CB-O 3.47Å; I515-V530 PolarHBondContact N-O 3.28Å; E517-V530 PolarHBondContact OE1-N 3.18Å; P528-V530 PolarHBondContact O-N 2.95Å; V530-E700 HydrophobicContact CG1-CG 4.39Å
531	H	90.1	Very high	86.2	Confident	16 Å²	16	53.1 Å²	53.1	7%	0.074	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-106.8	167.8	176.4	64.7	80.4	0	0	0	111.3	G548 S698 N699	H531-G548 PolarHBondContact CE1-N 2.75Å; H531-G548 VanDerWaalsContact CG-CA 3.45Å; H531-G548 PolarHBondContact ND1-N 3.04Å; H531-S698 CarbonylContact O-C 3.5Å; H531-S698 WeakPolarHBondContact O-CA 3.4Å; H531-N699 WeakPolarHBondContact CE1-CB 3.48Å; H531-N699 PolarHBondContact NE2-ND2 3.23Å; H531-N699 PolarHBondContact O-N 3.44Å; H531-N699 PolarHBondContact O-OD1 3.36Å
532	K	91.5	Very high	86.2	Confident	47 Å²	47	58.3 Å²	58.3	20%	0.204	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-61.9	144.4	174.4	-59.4	-178.8	-172.9	173.7	0	109.8	D512 C513 D514 I515 Y536 V696	D512-K532 VanDerWaalsContact O-CE 3.31Å; D512-K532 WeakPolarHBondContact O-CE 3.3Å; D512-K532 PolarHBondContact O-NZ 3.12Å; C513-K532 VanDerWaalsContact O-CB 3.29Å; C513-K532 WeakPolarHBondContact O-CB 3.41Å; C513-K532 VanDerWaalsContact O-CG 3.27Å; C513-K532 WeakPolarHBondContact O-CG 3.15Å; C513-K532 PolarHBondContact O-N 3.36Å; D514-K532 WeakPolarHBondContact O-CE 3.14Å; I515-K532 HydrophobicContact CD1-CG 4.19Å; I515-K532 HydrophobicContact CG1-CG 3.73Å; K532-Y536 HydrophobicContact CB-CD1 4.37Å; K532-Y536 HydrophobicContact CB-CD2 4.25Å; K532-Y536 HydrophobicContact CB-CG 4.04Å; K532-Y536 HydrophobicContact CD-CD1 3.76Å; K532-Y536 HydrophobicContact CD-CE1 4.29Å; K532-Y536 HydrophobicContact CD-CG 4.16Å; K532-Y536 HydrophobicContact CG-CD1 4.47Å; K532-V696 HydrophobicContact CD-CG1 4.15Å; K532-V696 HydrophobicContact CG-CG1 3.78Å
533	M	90	Very high	86.5	Confident	23 Å²	23	52.2 Å²	52.2	11%	0.113	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58	157.1	172.5	64.2	169.7	-69.1	0	0	111.6	Y536 F679 S680 C697	M533-Y536 HydrophobicContact CG-CD2 3.63Å; M533-Y536 HydrophobicContact CG-CE2 3.37Å; M533-Y536 WeakPolarHBondContact O-CD2 3.47Å; M533-Y536 HydrophobicContact SD-CE2 3.98Å; M533-F679 HydrophobicContact CE-CB 3.99Å; M533-S680 WeakPolarHBondContact CE-O 3.06Å; M533-C697 HydrophobicContact CG-CB 3.97Å; M533-C697 PolarHBondContact N-O 2.87Å; M533-C697 HydrophobicContact SD-CB 3.63Å; M533-C697 PolarHBondContact SD-SG 2.85Å
534	D	88.3	Confident	86.8	Confident	42 Å²	42	51 Å²	51	23%	0.225	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	142.2	178.8	-68.7	0.5	0	0	0	111.7	C545 F546 N547 F679	D534-C545 CarbonylContact C-O 3.54Å; D534-C545 VanDerWaalsContact CA-O 3.3Å; D534-C545 WeakPolarHBondContact CA-O 3.15Å; D534-F546 HydrophobicContact CB-CD1 3.9Å; D534-F546 HydrophobicContact CB-CE1 4.08Å; D534-F546 HydrophobicContact CB-CG 4.45Å; D534-F546 VanDerWaalsContact OD1-CA 3.32Å; D534-F546 WeakPolarHBondContact OD1-CA 3.46Å; D534-F546 WeakPolarHBondContact OD2-CD1 3.39Å; D534-N547 PolarHBondContact OD1-N 2.03Å; D534-F679 HydrophobicContact CB-CD1 4.25Å; D534-F679 HydrophobicContact CB-CE1 3.84Å
535	G	86.7	Confident	87.3	Confident	12 Å²	12	49.8 Å²	49.8	12%	0.124	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.3	-9.7	179.5	0	0	0	0	0	116.1	R544 C545	G535-R544 VanDerWaalsContact O-CD 3.3Å; G535-R544 WeakPolarHBondContact O-CD 3.32Å; G535-R544 PolarHBondContact O-NH1 3.42Å; G535-C545 PolarHBondContact N-O 2.83Å
536	Y	89.1	Confident	87.6	Confident	39 Å²	39	46.5 Å²	46.5	15%	0.153	24%	0.24	C	C	.	.			trans	-59.4	148.5	170.3	-90.7	-110.3	0	0	0	111.8	K532 M533 R544 C545 I690 V696 C697	K532-Y536 HydrophobicContact CB-CD1 4.37Å; K532-Y536 HydrophobicContact CB-CD2 4.25Å; K532-Y536 HydrophobicContact CB-CG 4.04Å; K532-Y536 HydrophobicContact CD-CD1 3.76Å; K532-Y536 HydrophobicContact CD-CE1 4.29Å; K532-Y536 HydrophobicContact CD-CG 4.16Å; K532-Y536 HydrophobicContact CG-CD1 4.47Å; M533-Y536 HydrophobicContact CG-CD2 3.63Å; M533-Y536 HydrophobicContact CG-CE2 3.37Å; M533-Y536 WeakPolarHBondContact O-CD2 3.47Å; M533-Y536 HydrophobicContact SD-CE2 3.98Å; Y536-R544 CarbonylContact O-C 3.52Å; Y536-R544 VanDerWaalsContact O-CA 3.26Å; Y536-R544 WeakPolarHBondContact O-CA 3.3Å; Y536-C545 PolarHBondContact O-N 3.02Å; Y536-I690 HydrophobicContact CE1-CD1 4.43Å; Y536-I690 HydrophobicContact CE2-CD1 4.05Å; Y536-I690 WeakPolarHBondContact OH-CD1 3.46Å; Y536-I690 WeakPolarHBondContact OH-CG2 3.04Å; Y536-V696 HydrophobicContact CE1-CG1 3.9Å; Y536-C697 HydrophobicContact CE2-CB 4.46Å; Y536-C697 PolarHBondContact OH-N 3.13Å
537	T	90.9	Very high	87.4	Confident	54 Å²	54	49.1 Å²	49.1	33%	0.331	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	150.9	173.4	57.9	0	0	0	0	112.2	D541 G543	T537-D541 WeakPolarHBondContact CB-OD1 3.07Å; T537-D541 HydrophobicContact CG2-CB 4.36Å; T537-D541 WeakPolarHBondContact CG2-OD1 3.49Å; T537-D541 PolarHBondContact OG1-OD1 2.73Å; T537-G543 WeakPolarHBondContact CA-O 3.42Å
538	C	91.5	Very high	87.4	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	161.5	176.5	54.9	0	0	0	0	110.5	D512 K540 D541 Q542 G543 R544 C550	D512-C538 HydrophobicContact CB-CB 3.75Å; C538-K540 PolarHBondContact O-N 2.8Å; C538-D541 PolarHBondContact O-N 2.82Å; C538-Q542 PolarHBondContact O-N 3.43Å; C538-G543 PolarHBondContact N-O 2.82Å; C538-G543 VanDerWaalsContact N-O 3.12Å; C538-G543 PolarHBondContact O-N 2.02Å; C538-G543 VanDerWaalsContact O-N 3.09Å; C538-R544 VanDerWaalsContact SG-C 3.56Å; C538-R544 PolarHBondContact SG-N 2.89Å; C538-R544 VanDerWaalsContact SG-N 3.43Å; C538-C550 HydrophobicContact CB-CB 3.77Å; C538-C550 WeakPolarHBondContact CB-SG 3.35Å; C538-C550 VanDerWaalsContact SG-CA 3.51Å; C538-C550 WeakPolarHBondContact SG-CB 3.29Å; C538-C550 CovalentContact SG-SG 2.02Å; C538-C550 PolarHBondContact SG-SG 3.49Å
539	E	87.4	Confident	87.6	Confident	60 Å²	60	47 Å²	47	28%	0.28	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	47.2	-177.5	-64.9	-169.3	136.1	0	0	114	D512 Q542 T552 R555	D512-E539 PolarHBondContact OD2-N 3.13Å; E539-Q542 HydrophobicContact CB-CB 4.42Å; E539-Q542 WeakPolarHBondContact O-CB 3.2Å; E539-Q542 WeakPolarHBondContact O-CG 3.34Å; E539-Q542 PolarHBondContact O-N 3.1Å; E539-T552 WeakPolarHBondContact OE2-CG2 3.26Å; E539-T552 PolarHBondContact OE2-OG1 3.13Å; E539-R555 VanDerWaalsContact CD-NH2 3.25Å; E539-R555 IonicContact OE1-CZ 3.5Å; E539-R555 VanDerWaalsContact OE1-CZ 3.32Å; E539-R555 IonicContact OE1-NH1 3.35Å; E539-R555 PolarHBondContact OE1-NH1 3.41Å; E539-R555 IonicContact OE1-NH2 2.62Å; E539-R555 PolarHBondContact OE1-NH2 3.19Å; E539-R555 IonicContact OE2-CZ 2.65Å; E539-R555 IonicContact OE2-NH1 2.64Å; E539-R555 PolarHBondContact OE2-NH1 3Å; E539-R555 IonicContact OE2-NH2 3.3Å
540	K	83.3	Confident	87.9	Confident	194 Å²	194	46.3 Å²	46.3	84%	0.843	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	52.8	-179.6	-51.5	168.8	-174.7	166.8	0	111.8	C538 Q542	C538-K540 PolarHBondContact O-N 2.8Å; K540-Q542 PolarHBondContact O-N 3.26Å; K540-Q542 VanDerWaalsContact O-N 3.17Å
541	D	81.3	Confident	88	Confident	108 Å²	108	47.5 Å²	47.5	58%	0.578	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	14.2	177.6	-46	-46.6	0	0	0	115.3	T537 C538	T537-D541 WeakPolarHBondContact CB-OD1 3.07Å; T537-D541 HydrophobicContact CG2-CB 4.36Å; T537-D541 WeakPolarHBondContact CG2-OD1 3.49Å; T537-D541 PolarHBondContact OG1-OD1 2.73Å; C538-D541 PolarHBondContact O-N 2.82Å
542	Q	84.2	Confident	88.1	Confident	137 Å²	137	47 Å²	47	64%	0.64	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.5	172.6	-63.6	-173.6	3.5	0	0	113.1	C538 E539 K540 T552	C538-Q542 PolarHBondContact O-N 3.43Å; E539-Q542 HydrophobicContact CB-CB 4.42Å; E539-Q542 WeakPolarHBondContact O-CB 3.2Å; E539-Q542 WeakPolarHBondContact O-CG 3.34Å; E539-Q542 PolarHBondContact O-N 3.1Å; K540-Q542 PolarHBondContact O-N 3.26Å; K540-Q542 VanDerWaalsContact O-N 3.17Å; Q542-T552 HydrophobicContact CB-CG2 4.43Å
543	G	88.9	Confident	88.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	174.5	-177	0	0	0	0	0	114.6	T537 C538 K551	T537-G543 WeakPolarHBondContact CA-O 3.42Å; C538-G543 PolarHBondContact N-O 2.82Å; C538-G543 VanDerWaalsContact N-O 3.12Å; C538-G543 PolarHBondContact O-N 2.02Å; C538-G543 VanDerWaalsContact O-N 3.09Å; G543-K551 WeakPolarHBondContact CA-O 3.01Å
544	R	90.7	Very high	88.3	Confident	15 Å²	15	47.8 Å²	47.8	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.8	173.8	-65	-71.8	173	165.6	-5.5	111.4	G535 Y536 C538 F546 K551 G657 A659 T662 I665 I674	G535-R544 VanDerWaalsContact O-CD 3.3Å; G535-R544 WeakPolarHBondContact O-CD 3.32Å; G535-R544 PolarHBondContact O-NH1 3.42Å; Y536-R544 CarbonylContact O-C 3.52Å; Y536-R544 VanDerWaalsContact O-CA 3.26Å; Y536-R544 WeakPolarHBondContact O-CA 3.3Å; C538-R544 VanDerWaalsContact SG-C 3.56Å; C538-R544 PolarHBondContact SG-N 2.89Å; C538-R544 VanDerWaalsContact SG-N 3.43Å; R544-F546 HydrophobicContact CB-CD2 4.04Å; R544-F546 HydrophobicContact CB-CE2 3.79Å; R544-K551 PolarHBondContact N-O 3.28Å; R544-K551 PolarHBondContact O-N 2.8Å; R544-G657 WeakPolarHBondContact CB-O 3.3Å; R544-A659 HydrophobicContact CG-CB 4.22Å; R544-T662 PolarHBondContact NH2-O 3.31Å; R544-I665 HydrophobicContact CG-CD1 3.95Å; R544-I665 HydrophobicContact CG-CG1 4.11Å; R544-I674 VanDerWaalsContact CZ-CD1 3.48Å
545	C	90.7	Very high	88.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.1	173.3	-58.2	0	0	0	0	110.5	C513 D534 G535 Y536 R549	C513-C545 WeakPolarHBondContact CA-SG 3.15Å; C513-C545 HydrophobicContact CB-CB 3.64Å; C513-C545 WeakPolarHBondContact CB-SG 3.39Å; C513-C545 WeakPolarHBondContact SG-CA 2.99Å; C513-C545 WeakPolarHBondContact SG-CB 3.42Å; C513-C545 CovalentContact SG-SG 2.03Å; C513-C545 PolarHBondContact SG-SG 3.08Å; D534-C545 CarbonylContact C-O 3.54Å; D534-C545 VanDerWaalsContact CA-O 3.3Å; D534-C545 WeakPolarHBondContact CA-O 3.15Å; G535-C545 PolarHBondContact N-O 2.83Å; Y536-C545 PolarHBondContact O-N 3.02Å; C545-R549 WeakPolarHBondContact CA-O 3.36Å
546	F	86.4	Confident	88.8	Confident	27 Å²	27	50 Å²	50	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	122.4	172.1	-83	-91	0	0	0	109.5	D534 R544 G548 R549 K551 G657 I665 F679	D534-F546 HydrophobicContact CB-CD1 3.9Å; D534-F546 HydrophobicContact CB-CE1 4.08Å; D534-F546 HydrophobicContact CB-CG 4.45Å; D534-F546 VanDerWaalsContact OD1-CA 3.32Å; D534-F546 WeakPolarHBondContact OD1-CA 3.46Å; D534-F546 WeakPolarHBondContact OD2-CD1 3.39Å; R544-F546 HydrophobicContact CB-CD2 4.04Å; R544-F546 HydrophobicContact CB-CE2 3.79Å; F546-G548 VanDerWaalsContact C-N 3.32Å; F546-G548 PolarHBondContact O-N 3.05Å; F546-R549 PolarHBondContact N-O 3.39Å; F546-R549 PolarHBondContact O-N 3.39Å; F546-R549 VanDerWaalsContact O-N 3.1Å; F546-K551 HydrophobicContact CB-CD 3.89Å; F546-K551 HydrophobicContact CB-CG 4.36Å; F546-K551 HydrophobicContact CD2-CD 3.88Å; F546-K551 HydrophobicContact CG-CD 4.04Å; F546-G657 WeakPolarHBondContact CE2-O 3.32Å; F546-G657 VanDerWaalsContact CZ-CA 3.49Å; F546-I665 HydrophobicContact CE2-CD1 4.25Å; F546-I665 HydrophobicContact CE2-CG2 4.43Å; F546-I665 HydrophobicContact CZ-CD1 4.23Å; F546-I665 HydrophobicContact CZ-CG2 4.28Å; F546-F679 HydrophobicContact CE1-CE1 4.12Å; F546-F679 HydrophobicContact CE1-CZ 4.16Å; F546-F679 HydrophobicContact CZ-CE1 4.29Å; F546-F679 AromaticContact CZ-CZ 3.88Å; F546-F679 HydrophobicContact CZ-CZ 3.88Å
547	N	80.8	Confident	89	Confident	83 Å²	83	48.1 Å²	48.1	44%	0.444	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	52.7	-175.4	-63.9	-55.5	0	0	0	112.4	D534 R549	D534-N547 PolarHBondContact OD1-N 2.03Å; N547-R549 PolarHBondContact O-N 3.44Å
548	G	85.3	Confident	89.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	-12.1	178.6	0	0	0	0	0	115.9	N511 C513 H531 F546	N511-G548 PolarHBondContact ND2-O 3.16Å; C513-G548 WeakPolarHBondContact CB-O 3.34Å; H531-G548 PolarHBondContact CE1-N 2.75Å; H531-G548 VanDerWaalsContact CG-CA 3.45Å; H531-G548 PolarHBondContact ND1-N 3.04Å; F546-G548 VanDerWaalsContact C-N 3.32Å; F546-G548 PolarHBondContact O-N 3.05Å
549	R	87.8	Confident	89	Confident	83 Å²	83	51 Å²	51	31%	0.313	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.1	-175.8	-65.1	-177.6	-79.5	-180	-14.3	111.9	G349 S431 C545 F546 N547 K551	G349-R549 PolarHBondContact O-NH2 3.38Å; S431-R549 WeakPolarHBondContact O-CG 3.28Å; C545-R549 WeakPolarHBondContact CA-O 3.36Å; F546-R549 PolarHBondContact N-O 3.39Å; F546-R549 PolarHBondContact O-N 3.39Å; F546-R549 VanDerWaalsContact O-N 3.1Å; N547-R549 PolarHBondContact O-N 3.44Å; R549-K551 PolarHBondContact O-N 3.09Å
550	C	91.9	Very high	89.2	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.3	176.2	179.8	0	0	0	0	111.5	C538 T552 R555	C538-C550 HydrophobicContact CB-CB 3.77Å; C538-C550 WeakPolarHBondContact CB-SG 3.35Å; C538-C550 VanDerWaalsContact SG-CA 3.51Å; C538-C550 WeakPolarHBondContact SG-CB 3.29Å; C538-C550 CovalentContact SG-SG 2.02Å; C538-C550 PolarHBondContact SG-SG 3.49Å; C550-T552 PolarHBondContact O-N 3.32Å; C550-R555 WeakPolarHBondContact O-CD 3.01Å; C550-R555 PolarHBondContact O-NH1 3.42Å; C550-R555 VanDerWaalsContact O-NH1 3.11Å; C550-R555 PolarHBondContact SG-NH1 3.11Å
551	K	91.3	Very high	89.5	Confident	49 Å²	49	39.2 Å²	39.2	21%	0.213	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	113.1	177	-71.9	-176.9	172.1	-109.8	0	111.4	G543 R544 F546 R549 E655 D656	G543-K551 WeakPolarHBondContact CA-O 3.01Å; R544-K551 PolarHBondContact N-O 3.28Å; R544-K551 PolarHBondContact O-N 2.8Å; F546-K551 HydrophobicContact CB-CD 3.89Å; F546-K551 HydrophobicContact CB-CG 4.36Å; F546-K551 HydrophobicContact CD2-CD 3.88Å; F546-K551 HydrophobicContact CG-CD 4.04Å; R549-K551 PolarHBondContact O-N 3.09Å; K551-E655 IonicContact NZ-OE2 2.69Å; K551-E655 PolarHBondContact NZ-OE2 2.97Å; K551-D656 VanDerWaalsContact CD-O 3.32Å; K551-D656 WeakPolarHBondContact CD-O 3.46Å; K551-D656 VanDerWaalsContact CE-O 3.3Å; K551-D656 WeakPolarHBondContact CE-O 3.37Å; K551-D656 PolarHBondContact NZ-O 2.94Å
552	T	92.5	Very high	89.8	Confident	6 Å²	6	34.3 Å²	34.3	4%	0.037	15%	0.154	C	C	.	.			trans	-134.5	150.6	170.1	54.4	0	0	0	0	110.8	E539 Q542 C550 D554 R555 Q556	E539-T552 WeakPolarHBondContact OE2-CG2 3.26Å; E539-T552 PolarHBondContact OE2-OG1 3.13Å; Q542-T552 HydrophobicContact CB-CG2 4.43Å; C550-T552 PolarHBondContact O-N 3.32Å; T552-D554 PolarHBondContact O-N 2.9Å; T552-R555 PolarHBondContact O-N 3.41Å; T552-R555 PolarHBondContact OG1-N 3.07Å; T552-Q556 PolarHBondContact O-N 2.96Å
553	K	92.9	Very high	90	Very high	40 Å²	40	34.4 Å²	34.4	17%	0.174	15%	0.154	C	C	.	.	H	α-helix	trans	-56.8	-33.5	172.4	-67.8	-177.3	-86.5	-84.6	0	111.8	Q556 C557 A567 Y573 L606 V654 T658 A659	K553-Q556 PolarHBondContact O-N 3.33Å; K553-C557 PolarHBondContact O-N 3.24Å; K553-C557 PolarHBondContact O-SG 3.46Å; K553-A567 HydrophobicContact CB-CB 4.12Å; K553-Y573 HydrophobicContact CD-CE1 4.04Å; K553-Y573 HydrophobicContact CD-CE2 4.42Å; K553-L606 HydrophobicContact CB-CD1 4.26Å; K553-L606 HydrophobicContact CG-CD1 4.37Å; K553-V654 HydrophobicContact CD-CG1 4.45Å; K553-V654 HydrophobicContact CD-CG2 4.02Å; K553-V654 HydrophobicContact CG-CG1 4.1Å; K553-V654 HydrophobicContact CG-CG2 4.16Å; K553-T658 HydrophobicContact CG-CG2 3.85Å; K553-A659 PolarHBondContact NZ-O 3.44Å
554	D	93.1	Very high	90	Very high	45 Å²	45	42.9 Å²	42.9	24%	0.241	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-48.6	177.7	-167.5	72.4	0	0	0	112.1	T552 Q556 C557 K558 T566 A567	T552-D554 PolarHBondContact O-N 2.9Å; D554-Q556 VanDerWaalsContact C-N 3.28Å; D554-Q556 PolarHBondContact O-N 2.81Å; D554-C557 PolarHBondContact O-N 3.08Å; D554-K558 WeakPolarHBondContact O-CG 3.45Å; D554-K558 PolarHBondContact O-N 2.9Å; D554-K558 WeakPolarHBondContact OD2-CE 3.4Å; D554-K558 IonicContact OD2-NZ 2.85Å; D554-K558 PolarHBondContact OD2-NZ 2.9Å; D554-T566 WeakPolarHBondContact OD1-CA 3.3Å; D554-T566 WeakPolarHBondContact OD1-CB 3.35Å; D554-A567 HydrophobicContact CB-CB 4.09Å; D554-A567 PolarHBondContact OD1-N 3.46Å
555	R	91.8	Very high	90	Very high	93 Å²	93	42.2 Å²	42.2	35%	0.351	19%	0.189	S	C	.	.	H	α-helix	trans	-59.4	-39.2	172.5	-82.2	-159.2	-171	65.6	18.8	112.2	E539 C550 T552 K558 Y559	E539-R555 VanDerWaalsContact CD-NH2 3.25Å; E539-R555 IonicContact OE1-CZ 3.5Å; E539-R555 VanDerWaalsContact OE1-CZ 3.32Å; E539-R555 IonicContact OE1-NH1 3.35Å; E539-R555 PolarHBondContact OE1-NH1 3.41Å; E539-R555 IonicContact OE1-NH2 2.62Å; E539-R555 PolarHBondContact OE1-NH2 3.19Å; E539-R555 IonicContact OE2-CZ 2.65Å; E539-R555 IonicContact OE2-NH1 2.64Å; E539-R555 PolarHBondContact OE2-NH1 3Å; E539-R555 IonicContact OE2-NH2 3.3Å; C550-R555 WeakPolarHBondContact O-CD 3.01Å; C550-R555 PolarHBondContact O-NH1 3.42Å; C550-R555 VanDerWaalsContact O-NH1 3.11Å; C550-R555 PolarHBondContact SG-NH1 3.11Å; T552-R555 PolarHBondContact O-N 3.41Å; T552-R555 PolarHBondContact OG1-N 3.07Å; R555-K558 PolarHBondContact O-N 2.95Å; R555-Y559 VanDerWaalsContact O-CB 3.28Å; R555-Y559 WeakPolarHBondContact O-CB 3.32Å; R555-Y559 PolarHBondContact O-N 3.05Å
556	Q	93.2	Very high	90.2	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-44.9	177.3	-166.7	-179.3	-10.8	0	0	111.4	T552 K553 D554 K558 Y559 I560 L606 L651 Y653	T552-Q556 PolarHBondContact O-N 2.96Å; K553-Q556 PolarHBondContact O-N 3.33Å; D554-Q556 VanDerWaalsContact C-N 3.28Å; D554-Q556 PolarHBondContact O-N 2.81Å; Q556-K558 VanDerWaalsContact C-N 3.34Å; Q556-K558 PolarHBondContact O-N 2.76Å; Q556-Y559 PolarHBondContact O-N 3.38Å; Q556-I560 HydrophobicContact CG-CD1 3.97Å; Q556-I560 WeakPolarHBondContact O-CD1 3.05Å; Q556-I560 WeakPolarHBondContact O-CG1 3.19Å; Q556-I560 PolarHBondContact O-N 3.28Å; Q556-I560 VanDerWaalsContact O-N 3.07Å; Q556-L606 HydrophobicContact CB-CD1 4.47Å; Q556-L606 HydrophobicContact CB-CD2 4.31Å; Q556-L606 HydrophobicContact CG-CD2 3.78Å; Q556-L651 PolarHBondContact NE2-O 2.91Å; Q556-Y653 PolarHBondContact NE2-O 3.42Å
557	C	93.6	Very high	90.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-42.9	173	-70.9	0	0	0	0	112.5	K553 D554 W561 C608	K553-C557 PolarHBondContact O-N 3.24Å; K553-C557 PolarHBondContact O-SG 3.46Å; D554-C557 PolarHBondContact O-N 3.08Å; C557-W561 WeakPolarHBondContact O-CB 3.41Å; C557-W561 VanDerWaalsContact O-CD1 3.32Å; C557-W561 PolarHBondContact O-N 2.89Å; C557-C608 VanDerWaalsContact CA-SG 3.56Å; C557-C608 HydrophobicContact CB-CB 3.82Å; C557-C608 WeakPolarHBondContact CB-SG 3.31Å; C557-C608 VanDerWaalsContact SG-CA 3.6Å; C557-C608 WeakPolarHBondContact SG-CB 2.99Å; C557-C608 CovalentContact SG-SG 2.03Å; C557-C608 PolarHBondContact SG-SG 3.5Å
558	K	92.2	Very high	91.1	Very high	47 Å²	47	41.5 Å²	41.5	20%	0.204	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-36.7	177.6	-70.4	172	171	-167.1	0	113.4	D554 R555 Q556 G562 E563 A565	D554-K558 WeakPolarHBondContact O-CG 3.45Å; D554-K558 PolarHBondContact O-N 2.9Å; D554-K558 WeakPolarHBondContact OD2-CE 3.4Å; D554-K558 IonicContact OD2-NZ 2.85Å; D554-K558 PolarHBondContact OD2-NZ 2.9Å; R555-K558 PolarHBondContact O-N 2.95Å; Q556-K558 VanDerWaalsContact C-N 3.34Å; Q556-K558 PolarHBondContact O-N 2.76Å; K558-G562 CarbonylContact O-C 3.56Å; K558-G562 WeakPolarHBondContact O-CA 3.49Å; K558-G562 PolarHBondContact O-N 3.37Å; K558-E563 WeakPolarHBondContact CD-OE1 3.46Å; K558-E563 VanDerWaalsContact CE-OE1 3.32Å; K558-E563 WeakPolarHBondContact CE-OE1 3.45Å; K558-E563 IonicContact NZ-OE1 2.65Å; K558-E563 PolarHBondContact NZ-OE1 2.69Å; K558-A565 WeakPolarHBondContact CG-O 3.41Å
559	Y	90	Very high	91.4	Very high	70 Å²	70	44.9 Å²	44.9	28%	0.275	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-48.3	176.1	-176.8	-117.4	0	0	0	110.7	F384 R555 Q556 L617 L651	F384-Y559 HydrophobicContact CE1-CE2 4.03Å; R555-Y559 VanDerWaalsContact O-CB 3.28Å; R555-Y559 WeakPolarHBondContact O-CB 3.32Å; R555-Y559 PolarHBondContact O-N 3.05Å; Q556-Y559 PolarHBondContact O-N 3.38Å; Y559-L617 HydrophobicContact CD1-CD2 4.27Å; Y559-L617 HydrophobicContact CE1-CD1 3.69Å; Y559-L617 HydrophobicContact CE1-CD2 4.14Å; Y559-L617 HydrophobicContact CE2-CD1 4.32Å; Y559-L617 WeakPolarHBondContact O-CD2 3.36Å; Y559-L617 WeakPolarHBondContact OH-CD1 3.46Å; Y559-L651 HydrophobicContact CD1-CD1 4Å; Y559-L651 HydrophobicContact CE1-CD1 3.85Å
560	I	90.8	Very high	91.5	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-74	-48	-178.6	-58	161.7	0	0	0	112.1	Q556 L606 P615 R616 V643 L651	Q556-I560 HydrophobicContact CG-CD1 3.97Å; Q556-I560 WeakPolarHBondContact O-CD1 3.05Å; Q556-I560 WeakPolarHBondContact O-CG1 3.19Å; Q556-I560 PolarHBondContact O-N 3.28Å; Q556-I560 VanDerWaalsContact O-N 3.07Å; I560-L606 HydrophobicContact CD1-CD2 3.58Å; I560-P615 HydrophobicContact CG2-CB 3.96Å; I560-P615 CarbonylContact O-C 3.58Å; I560-P615 WeakPolarHBondContact O-CA 3.43Å; I560-R616 PolarHBondContact O-N 3.16Å; I560-V643 HydrophobicContact CG2-CB 4.46Å; I560-V643 HydrophobicContact CG2-CG1 4.41Å; I560-V643 HydrophobicContact CG2-CG2 3.97Å; I560-L651 HydrophobicContact CD1-CB 3.78Å; I560-L651 HydrophobicContact CD1-CD1 4.4Å; I560-L651 VanDerWaalsContact CD1-O 3.28Å; I560-L651 WeakPolarHBondContact CD1-O 3.39Å; I560-L651 HydrophobicContact CG1-CB 4.06Å; I560-L651 HydrophobicContact CG1-CD1 3.84Å
561	W	89.8	Confident	91.5	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-106.6	-13.8	-167.1	-55.3	110.7	0	0	0	114.5	K388 C557 A565 I611 S612 P615 L620 L624 A641 V643	K388-W561 PolarHBondContact NZ-O 2.71Å; C557-W561 WeakPolarHBondContact O-CB 3.41Å; C557-W561 VanDerWaalsContact O-CD1 3.32Å; C557-W561 PolarHBondContact O-N 2.89Å; W561-A565 HydrophobicContact CB-CB 3.63Å; W561-A565 HydrophobicContact CG-CB 4.44Å; W561-I611 HydrophobicContact CD2-CB 4.02Å; W561-I611 HydrophobicContact CD2-CG2 4.24Å; W561-I611 HydrophobicContact CE3-CB 4.39Å; W561-I611 HydrophobicContact CG-CB 4.12Å; W561-I611 HydrophobicContact CG-CG2 4.05Å; W561-I611 HydrophobicContact CZ2-CD1 4.46Å; W561-S612 VanDerWaalsContact CE3-O 3.23Å; W561-S612 VanDerWaalsContact CZ3-O 3.23Å; W561-S612 WeakPolarHBondContact CZ3-O 3.46Å; W561-P615 HydrophobicContact CE3-CB 4.18Å; W561-P615 HydrophobicContact CH2-CB 4.49Å; W561-P615 HydrophobicContact CZ3-CB 3.96Å; W561-P615 HydrophobicContact CZ3-CG 4.49Å; W561-L620 HydrophobicContact CH2-CD1 4.14Å; W561-L624 HydrophobicContact CH2-CD1 4.49Å; W561-A641 HydrophobicContact CH2-CB 3.59Å; W561-A641 HydrophobicContact CZ2-CB 3.73Å; W561-V643 HydrophobicContact CH2-CG2 4.18Å; W561-V643 HydrophobicContact CZ2-CG2 4.23Å
562	G	88.1	Confident	91.5	Very high	6 Å²	6	46 Å²	46	6%	0.062	22%	0.218	C	C	.	.			trans	98.5	165.5	-177.1	0	0	0	0	0	114.4	K558 K564 A565 R616	K558-G562 CarbonylContact O-C 3.56Å; K558-G562 WeakPolarHBondContact O-CA 3.49Å; K558-G562 PolarHBondContact O-N 3.37Å; G562-K564 PolarHBondContact O-N 3.32Å; G562-A565 WeakPolarHBondContact O-CB 3.28Å; G562-A565 PolarHBondContact O-N 2.83Å; G562-R616 VanDerWaalsContact CA-CD 3.45Å
563	E	87.4	Confident	91.5	Very high	139 Å²	139	45.9 Å²	45.9	65%	0.65	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-13.6	-167.4	-163.6	53.4	-143.5	0	0	116.1	K558	K558-E563 WeakPolarHBondContact CD-OE1 3.46Å; K558-E563 VanDerWaalsContact CE-OE1 3.32Å; K558-E563 WeakPolarHBondContact CE-OE1 3.45Å; K558-E563 IonicContact NZ-OE1 2.65Å; K558-E563 PolarHBondContact NZ-OE1 2.69Å
564	K	88.9	Confident	91.5	Very high	178 Å²	178	47.5 Å²	47.5	77%	0.774	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-18.9	174.7	-65.7	-179.6	-178.7	172.4	0	113.8	G562	G562-K564 PolarHBondContact O-N 3.32Å
565	A	92.3	Very high	91.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	24%	0.235	C	C	.	.			trans	-81.4	150	176.7	0	0	0	0	0	110.5	K558 W561 G562 S609	K558-A565 WeakPolarHBondContact CG-O 3.41Å; W561-A565 HydrophobicContact CB-CB 3.63Å; W561-A565 HydrophobicContact CG-CB 4.44Å; G562-A565 WeakPolarHBondContact O-CB 3.28Å; G562-A565 PolarHBondContact O-N 2.83Å; A565-S609 WeakPolarHBondContact CA-O 3.22Å
566	T	93.8	Very high	91.4	Very high	54 Å²	54	45.8 Å²	45.8	33%	0.331	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	162.4	176.1	57.8	0	0	0	0	110.1	D554 C608 S609	D554-T566 WeakPolarHBondContact OD1-CA 3.3Å; D554-T566 WeakPolarHBondContact OD1-CB 3.35Å; T566-C608 CarbonylContact O-C 3.52Å; T566-C608 VanDerWaalsContact O-CA 3.25Å; T566-C608 WeakPolarHBondContact O-CA 3.36Å; T566-C608 WeakPolarHBondContact O-CB 3.34Å; T566-S609 PolarHBondContact N-O 3.43Å; T566-S609 PolarHBondContact O-N 2.79Å
567	A	93.5	Very high	91.4	Very high	32 Å²	32	45.5 Å²	45.5	26%	0.264	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	139.8	167.3	0	0	0	0	0	110.8	K553 D554	K553-A567 HydrophobicContact CB-CB 4.12Å; D554-A567 HydrophobicContact CB-CB 4.09Å; D554-A567 PolarHBondContact OD1-N 3.46Å
568	A	93.1	Very high	91.4	Very high	8 Å²	8	47.7 Å²	47.7	7%	0.066	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-72	161.4	172.1	0	0	0	0	0	111.3	C572 Y573 L607	A568-C572 HydrophobicContact CB-CB 4.06Å; A568-Y573 HydrophobicContact CB-CE2 4.45Å; A568-L607 VanDerWaalsContact CB-C 3.46Å; A568-L607 HydrophobicContact CB-CB 3.85Å; A568-L607 WeakPolarHBondContact CB-O 3.27Å; A568-L607 PolarHBondContact N-O 2.98Å
569	D	92	Very high	91.3	Very high	71 Å²	71	50.7 Å²	50.7	38%	0.38	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-59.9	149.5	179	-170.7	-87.7	0	0	0	112.1	F571 C572 L636	D569-F571 PolarHBondContact O-N 2.79Å; D569-F571 WeakPolarHBondContact OD1-CB 3.48Å; D569-F571 PolarHBondContact OD1-N 3.34Å; D569-C572 VanDerWaalsContact O-CB 3.26Å; D569-C572 WeakPolarHBondContact O-CB 3.01Å; D569-C572 PolarHBondContact O-N 2.99Å; D569-L636 HydrophobicContact CB-CD1 4Å; D569-L636 HydrophobicContact CB-CD2 4.3Å
570	K	90.2	Very high	91.3	Very high	121 Å²	121	48.1 Å²	48.1	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-49.6	-35.7	176.2	-163.9	-172.4	-175.6	-124.8	0	112.5	C572 Y573 E574 H602	K570-C572 VanDerWaalsContact C-N 3.31Å; K570-C572 PolarHBondContact O-N 3.09Å; K570-Y573 PolarHBondContact O-N 3.39Å; K570-E574 VanDerWaalsContact CE-OE1 3.29Å; K570-E574 WeakPolarHBondContact CE-OE1 3.39Å; K570-E574 IonicContact NZ-OE1 2.72Å; K570-E574 PolarHBondContact NZ-OE1 3.39Å; K570-E574 PolarHBondContact O-N 2.91Å; K570-E574 VanDerWaalsContact O-N 3.09Å; K570-H602 WeakPolarHBondContact CE-NE2 3.35Å; K570-H602 WeakPolarHBondContact CG-CE1 3.46Å
571	F	90.8	Very high	91.3	Very high	42 Å²	42	50.4 Å²	50.4	18%	0.184	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-30.8	178.5	-167.9	-115.4	0	0	0	113.7	D569 E574 K575 V629 Q631 L636	D569-F571 PolarHBondContact O-N 2.79Å; D569-F571 WeakPolarHBondContact OD1-CB 3.48Å; D569-F571 PolarHBondContact OD1-N 3.34Å; F571-E574 PolarHBondContact O-N 2.72Å; F571-K575 HydrophobicContact CD1-CG 4.37Å; F571-K575 HydrophobicContact CD2-CG 4.46Å; F571-K575 HydrophobicContact CE1-CG 4.15Å; F571-K575 HydrophobicContact CE2-CD 4.45Å; F571-K575 VanDerWaalsContact CE2-CE 3.44Å; F571-K575 HydrophobicContact CE2-CG 4.25Å; F571-K575 HydrophobicContact CZ-CD 4.36Å; F571-K575 HydrophobicContact CZ-CG 4.09Å; F571-K575 WeakPolarHBondContact O-CB 3.33Å; F571-K575 WeakPolarHBondContact O-CG 3.3Å; F571-K575 PolarHBondContact O-N 2.94Å; F571-K575 VanDerWaalsContact O-N 3.12Å; F571-V629 HydrophobicContact CD1-CG1 3.82Å; F571-V629 HydrophobicContact CE1-CG1 3.53Å; F571-Q631 HydrophobicContact CD1-CB 3.9Å; F571-Q631 HydrophobicContact CD1-CG 3.81Å; F571-Q631 HydrophobicContact CD2-CG 4.5Å; F571-Q631 HydrophobicContact CE1-CB 3.9Å; F571-Q631 HydrophobicContact CE1-CG 3.8Å; F571-Q631 HydrophobicContact CG-CG 4.15Å; F571-Q631 HydrophobicContact CZ-CG 4.16Å; F571-L636 HydrophobicContact CB-CD1 4.37Å; F571-L636 HydrophobicContact CD1-CD1 4.18Å
572	C	92.1	Very high	91.2	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-49.2	174.2	-67.7	0	0	0	0	110.7	A568 D569 K570 K575 L576 L607 C638	A568-C572 HydrophobicContact CB-CB 4.06Å; D569-C572 VanDerWaalsContact O-CB 3.26Å; D569-C572 WeakPolarHBondContact O-CB 3.01Å; D569-C572 PolarHBondContact O-N 2.99Å; K570-C572 VanDerWaalsContact C-N 3.31Å; K570-C572 PolarHBondContact O-N 3.09Å; C572-K575 PolarHBondContact O-N 2.73Å; C572-L576 PolarHBondContact O-N 3.46Å; C572-L607 HydrophobicContact CB-CB 4.41Å; C572-L607 HydrophobicContact CB-CD1 3.89Å; C572-C638 HydrophobicContact CB-CB 3.6Å; C572-C638 WeakPolarHBondContact CB-SG 3.37Å; C572-C638 WeakPolarHBondContact SG-CB 3.42Å; C572-C638 CovalentContact SG-SG 2.03Å; C572-C638 PolarHBondContact SG-SG 2.86Å
573	Y	93.1	Very high	91.1	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-47	177.4	-65	-93.9	0	0	0	111.9	K553 A568 K570 K575 N577 V601 H602 Y605 L607 V654	K553-Y573 HydrophobicContact CD-CE1 4.04Å; K553-Y573 HydrophobicContact CD-CE2 4.42Å; A568-Y573 HydrophobicContact CB-CE2 4.45Å; K570-Y573 PolarHBondContact O-N 3.39Å; Y573-K575 PolarHBondContact O-N 2.89Å; Y573-K575 VanDerWaalsContact O-N 3.13Å; Y573-N577 WeakPolarHBondContact O-CB 3.45Å; Y573-N577 PolarHBondContact O-N 3.34Å; Y573-V601 WeakPolarHBondContact CD1-O 3.26Å; Y573-H602 WeakPolarHBondContact CB-ND1 3.43Å; Y573-H602 AromaticContact CG-ND1 3.75Å; Y573-Y605 WeakPolarHBondContact CE1-O 3.12Å; Y573-L607 HydrophobicContact CD1-CD1 4.27Å; Y573-L607 HydrophobicContact CE1-CB 4.2Å; Y573-L607 HydrophobicContact CE1-CG 4.47Å; Y573-L607 HydrophobicContact CE2-CB 4.01Å; Y573-L607 HydrophobicContact CG-CD1 4.25Å; Y573-L607 PolarHBondContact OH-N 2.85Å; Y573-L607 VanDerWaalsContact OH-N 3.07Å; Y573-L607 PolarHBondContact OH-O 3.28Å; Y573-V654 HydrophobicContact CE1-CG2 4.15Å
574	E	92.1	Very high	91.3	Very high	74 Å²	74	52.2 Å²	52.2	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-14.5	179.2	-70.6	-178.5	-178.5	0	0	114.1	K570 F571 I578 V601	K570-E574 VanDerWaalsContact CE-OE1 3.29Å; K570-E574 WeakPolarHBondContact CE-OE1 3.39Å; K570-E574 IonicContact NZ-OE1 2.72Å; K570-E574 PolarHBondContact NZ-OE1 3.39Å; K570-E574 PolarHBondContact O-N 2.91Å; K570-E574 VanDerWaalsContact O-N 3.09Å; F571-E574 PolarHBondContact O-N 2.72Å; E574-I578 VanDerWaalsContact O-CD1 3.26Å; E574-I578 WeakPolarHBondContact O-CD1 3.1Å; E574-V601 HydrophobicContact CG-CG2 4.32Å
575	K	90.4	Very high	91.5	Very high	101 Å²	101	43.7 Å²	43.7	44%	0.439	22%	0.221	S	C	.	.	H	α-helix	trans	-99.4	-67.2	173.2	-67.7	-59.2	-176.4	-175.8	0	111.9	F571 C572 Y573 N577 I578 V629	F571-K575 HydrophobicContact CD1-CG 4.37Å; F571-K575 HydrophobicContact CD2-CG 4.46Å; F571-K575 HydrophobicContact CE1-CG 4.15Å; F571-K575 HydrophobicContact CE2-CD 4.45Å; F571-K575 VanDerWaalsContact CE2-CE 3.44Å; F571-K575 HydrophobicContact CE2-CG 4.25Å; F571-K575 HydrophobicContact CZ-CD 4.36Å; F571-K575 HydrophobicContact CZ-CG 4.09Å; F571-K575 WeakPolarHBondContact O-CB 3.33Å; F571-K575 WeakPolarHBondContact O-CG 3.3Å; F571-K575 PolarHBondContact O-N 2.94Å; F571-K575 VanDerWaalsContact O-N 3.12Å; C572-K575 PolarHBondContact O-N 2.73Å; Y573-K575 PolarHBondContact O-N 2.89Å; Y573-K575 VanDerWaalsContact O-N 3.13Å; K575-N577 PolarHBondContact O-N 3.13Å; K575-I578 PolarHBondContact O-N 3.15Å; K575-V629 HydrophobicContact CG-CG1 4.43Å
576	L	91.6	Very high	91.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-41.1	-166	-61.2	178.1	0	0	0	112.3	C572 I578 E579 G584 L607 F627 C638	C572-L576 PolarHBondContact O-N 3.46Å; L576-I578 PolarHBondContact O-N 3.05Å; L576-E579 WeakPolarHBondContact O-CB 3.41Å; L576-E579 PolarHBondContact O-N 2.97Å; L576-G584 CarbonylContact O-C 3.19Å; L576-L607 HydrophobicContact CB-CD1 4.23Å; L576-L607 HydrophobicContact CD1-CD1 4.11Å; L576-L607 HydrophobicContact CD1-CD2 4.13Å; L576-F627 HydrophobicContact CD1-CB 4.46Å; L576-F627 HydrophobicContact CD1-CD1 4.42Å; L576-F627 HydrophobicContact CD2-CD1 3.83Å; L576-F627 HydrophobicContact CD2-CE1 4.23Å; L576-C638 HydrophobicContact CD1-CB 3.72Å
577	N	94.5	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-20.6	-176.4	-71.5	-1.7	0	0	0	113.1	Y573 K575 G584 C596 V601 Y605	Y573-N577 WeakPolarHBondContact O-CB 3.45Å; Y573-N577 PolarHBondContact O-N 3.34Å; K575-N577 PolarHBondContact O-N 3.13Å; N577-G584 WeakPolarHBondContact OD1-CA 3.32Å; N577-C596 HydrophobicContact CB-CB 4.24Å; N577-C596 WeakPolarHBondContact O-CB 3.43Å; N577-C596 PolarHBondContact O-N 2.97Å; N577-C596 PolarHBondContact O-SG 3.41Å; N577-C596 VanDerWaalsContact O-SG 3.42Å; N577-V601 HydrophobicContact CB-CB 4.42Å; N577-V601 PolarHBondContact ND2-O 3.38Å; N577-Y605 PolarHBondContact ND2-N 2.93Å; N577-Y605 PolarHBondContact ND2-O 2.87Å; N577-Y605 WeakPolarHBondContact OD1-CB 3.48Å
578	I	93.3	Very high	91.2	Very high	47 Å²	47	45.3 Å²	45.3	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-78.9	-18.6	171.9	-56.9	-174.1	0	0	0	111.6	E574 K575 L576 G580 Q595 K598 V601	E574-I578 VanDerWaalsContact O-CD1 3.26Å; E574-I578 WeakPolarHBondContact O-CD1 3.1Å; K575-I578 PolarHBondContact O-N 3.15Å; L576-I578 PolarHBondContact O-N 3.05Å; I578-G580 VanDerWaalsContact C-N 3.35Å; I578-Q595 WeakPolarHBondContact O-CG 3.47Å; I578-Q595 PolarHBondContact O-NE2 3.25Å; I578-K598 HydrophobicContact CD1-CG 4.01Å; I578-V601 HydrophobicContact CD1-CG1 3.85Å; I578-V601 HydrophobicContact CG1-CG1 3.43Å; I578-V601 VanDerWaalsContact CG1-CG1 3.43Å
579	E	91	Very high	90.9	Very high	109 Å²	109	50.5 Å²	50.5	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-72	-29.7	179.3	-61.9	-178.2	-178.4	0	0	112.3	L576 T581	L576-E579 WeakPolarHBondContact O-CB 3.41Å; L576-E579 PolarHBondContact O-N 2.97Å; E579-T581 HydrophobicContact CB-CG2 4.02Å
580	G	90	Very high	90.4	Very high	17 Å²	17	56 Å²	56	18%	0.175	26%	0.263	C	S	.	.			trans	67	49.3	-178.4	0	0	0	0	0	111.7	I578 G584 W593	I578-G580 VanDerWaalsContact C-N 3.35Å; G580-G584 WeakPolarHBondContact CA-O 3.15Å; G580-G584 PolarHBondContact N-O 3.47Å; G580-W593 WeakPolarHBondContact O-CB 3.34Å
581	T	89.6	Confident	90.1	Very high	49 Å²	49	56.5 Å²	56.5	30%	0.301	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-126.8	174.8	-179.7	71.6	0	0	0	0	110.9	E579 K583 G584 N585	E579-T581 HydrophobicContact CB-CG2 4.02Å; T581-K583 PolarHBondContact O-N 2.96Å; T581-K583 VanDerWaalsContact O-N 3.09Å; T581-K583 PolarHBondContact OG1-N 3.1Å; T581-G584 PolarHBondContact N-O 3.11Å; T581-G584 CarbonylContact O-C 3.2Å; T581-G584 PolarHBondContact O-N 2.95Å; T581-G584 VanDerWaalsContact O-O 3.05Å; T581-N585 WeakPolarHBondContact O-CB 3.05Å; T581-N585 PolarHBondContact O-ND2 2.98Å
582	E	86.9	Confident	90.1	Very high	101 Å²	101	59.1 Å²	59.1	47%	0.472	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-27.1	172.1	-173.1	177.1	-165.5	0	0	113	G584 W593 T625	E582-G584 VanDerWaalsContact C-N 3.34Å; E582-W593 HydrophobicContact CB-CZ2 3.99Å; E582-W593 HydrophobicContact CG-CZ2 3.97Å; E582-T625 HydrophobicContact CG-CG2 4.14Å
583	K	87.1	Confident	90.1	Very high	87 Å²	87	62.7 Å²	62.7	38%	0.378	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.1	177.9	-57.2	179.1	-178	177.6	0	114.4	T581	T581-K583 PolarHBondContact O-N 2.96Å; T581-K583 VanDerWaalsContact O-N 3.09Å; T581-K583 PolarHBondContact OG1-N 3.1Å
584	G	91.1	Very high	90.2	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	173.7	118.2	-175.9	0	0	0	0	0	112.2	L576 N577 G580 T581 E582	L576-G584 CarbonylContact O-C 3.19Å; N577-G584 WeakPolarHBondContact OD1-CA 3.32Å; G580-G584 WeakPolarHBondContact CA-O 3.15Å; G580-G584 PolarHBondContact N-O 3.47Å; T581-G584 PolarHBondContact N-O 3.11Å; T581-G584 CarbonylContact O-C 3.2Å; T581-G584 PolarHBondContact O-N 2.95Å; T581-G584 VanDerWaalsContact O-O 3.05Å; E582-G584 VanDerWaalsContact C-N 3.34Å
585	N	93.8	Very high	90.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.333	C	S	.	.			trans	-161.9	174.7	-175	63.5	80	0	0	0	110.7	T581 G587 W593 I594 G604 Y605 Y653	T581-N585 WeakPolarHBondContact O-CB 3.05Å; T581-N585 PolarHBondContact O-ND2 2.98Å; N585-G587 WeakPolarHBondContact OD1-CA 3.39Å; N585-G587 PolarHBondContact OD1-N 3.4Å; N585-G587 PolarHBondContact OD1-O 3Å; N585-W593 HydrophobicContact CB-CB 4.05Å; N585-W593 HydrophobicContact CB-CE3 4.38Å; N585-W593 VanDerWaalsContact CG-CE3 3.49Å; N585-W593 VanDerWaalsContact ND2-CE3 3.27Å; N585-I594 CarbonylContact C-O 3.48Å; N585-I594 WeakPolarHBondContact CA-O 3.31Å; N585-I594 VanDerWaalsContact CB-O 3.31Å; N585-I594 WeakPolarHBondContact CB-O 3.48Å; N585-G604 CarbonylContact O-C 3.53Å; N585-G604 VanDerWaalsContact O-CA 3.3Å; N585-G604 WeakPolarHBondContact O-CA 3.36Å; N585-Y605 PolarHBondContact O-N 3.38Å; N585-Y653 VanDerWaalsContact OD1-CE1 3.28Å; N585-Y653 WeakPolarHBondContact OD1-CE1 3.17Å; N585-Y653 PolarHBondContact OD1-OH 3.34Å
586	C	94.2	Very high	90.5	Very high	14 Å²	14	63.7 Å²	63.7	10%	0.095	31%	0.313	C	S	.	.	S	Bend	trans	-110.5	39.3	176.3	-87.4	0	0	0	0	112.2	I594 C596 H669	C586-I594 HydrophobicContact CB-CG2 4.5Å; C586-I594 PolarHBondContact N-O 3.33Å; C586-C596 VanDerWaalsContact CA-SG 3.52Å; C586-C596 HydrophobicContact CB-CB 4.04Å; C586-C596 WeakPolarHBondContact CB-SG 3.5Å; C586-C596 PolarHBondContact N-SG 3.09Å; C586-C596 VanDerWaalsContact SG-CA 3.52Å; C586-C596 WeakPolarHBondContact SG-CB 3.33Å; C586-C596 CovalentContact SG-SG 2.02Å; C586-C596 PolarHBondContact SG-SG 2.61Å; C586-H669 HydrophobicContact CB-CB 4.27Å; C586-H669 PolarHBondContact O-ND1 3.36Å; C586-H669 VanDerWaalsContact O-ND1 3.12Å
587	G	90.3	Very high	90.6	Very high	5 Å²	5	68.7 Å²	68.7	5%	0.052	34%	0.34	C	S	.	.			trans	110.6	176.7	-177.5	0	0	0	0	0	112.8	N585 I594 Y653	N585-G587 WeakPolarHBondContact OD1-CA 3.39Å; N585-G587 PolarHBondContact OD1-N 3.4Å; N585-G587 PolarHBondContact OD1-O 3Å; G587-I594 WeakPolarHBondContact O-CB 3.5Å; G587-I594 WeakPolarHBondContact O-CG1 3.4Å; G587-I594 PolarHBondContact O-N 3.23Å; G587-Y653 WeakPolarHBondContact CA-OH 3.39Å
588	K	87.8	Confident	90.4	Very high	101 Å²	101	77.2 Å²	77.2	44%	0.439	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.7	-178.3	-166.7	-176.4	178.3	-157.9	0	109.7	K590 D591 W593	K588-K590 WeakPolarHBondContact CE-O 3.42Å; K588-K590 PolarHBondContact NZ-O 3.36Å; K588-D591 WeakPolarHBondContact CE-OD1 3.21Å; K588-D591 IonicContact NZ-OD1 3.55Å; K588-D591 PolarHBondContact NZ-OD1 2.89Å; K588-W593 HydrophobicContact CB-CE3 3.83Å; K588-W593 HydrophobicContact CB-CZ3 3.8Å; K588-W593 HydrophobicContact CD-CE3 4.32Å; K588-W593 HydrophobicContact CD-CH2 4.02Å; K588-W593 HydrophobicContact CD-CZ2 4.42Å; K588-W593 HydrophobicContact CD-CZ3 3.96Å; K588-W593 HydrophobicContact CG-CD2 4.42Å; K588-W593 HydrophobicContact CG-CE3 3.92Å; K588-W593 HydrophobicContact CG-CZ3 3.99Å
589	E	86.5	Confident	90.3	Very high	118 Å²	118	82.6 Å²	82.6	55%	0.551	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	108.7	170	-167.8	179.8	169	0	0	108.8	D591 T592 I594	E589-D591 PolarHBondContact O-N 3.36Å; E589-T592 PolarHBondContact N-O 2.99Å; E589-T592 PolarHBondContact O-N 3.4Å; E589-T592 PolarHBondContact O-OG1 2.93Å; E589-I594 HydrophobicContact CB-CD1 4.16Å; E589-I594 HydrophobicContact CB-CG1 4.24Å
590	K	83.4	Confident	90.4	Very high	185 Å²	185	78.1 Å²	78.1	80%	0.804	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	-97	-173.7	-55.7	167.3	-172.4	164.1	0	111.6	K588	K588-K590 WeakPolarHBondContact CE-O 3.42Å; K588-K590 PolarHBondContact NZ-O 3.36Å
591	D	83.2	Confident	90.7	Very high	133 Å²	133	77.5 Å²	77.5	71%	0.711	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	6.1	176.7	-94.7	-29.1	0	0	0	114.2	K588 E589	K588-D591 WeakPolarHBondContact CE-OD1 3.21Å; K588-D591 IonicContact NZ-OD1 3.55Å; K588-D591 PolarHBondContact NZ-OD1 2.89Å; E589-D591 PolarHBondContact O-N 3.36Å
592	T	91.3	Very high	90.8	Very high	97 Å²	97	76 Å²	76	60%	0.595	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.9	176.8	44.4	0	0	0	0	111.5	E589	E589-T592 PolarHBondContact N-O 2.99Å; E589-T592 PolarHBondContact O-N 3.4Å; E589-T592 PolarHBondContact O-OG1 2.93Å
593	W	92.1	Very high	91.2	Very high	75 Å²	75	71.2 Å²	71.2	28%	0.284	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137	172.7	-59.9	112.8	0	0	0	110.9	G580 E582 N585 K588 H642	G580-W593 WeakPolarHBondContact O-CB 3.34Å; E582-W593 HydrophobicContact CB-CZ2 3.99Å; E582-W593 HydrophobicContact CG-CZ2 3.97Å; N585-W593 HydrophobicContact CB-CB 4.05Å; N585-W593 HydrophobicContact CB-CE3 4.38Å; N585-W593 VanDerWaalsContact CG-CE3 3.49Å; N585-W593 VanDerWaalsContact ND2-CE3 3.27Å; K588-W593 HydrophobicContact CB-CE3 3.83Å; K588-W593 HydrophobicContact CB-CZ3 3.8Å; K588-W593 HydrophobicContact CD-CE3 4.32Å; K588-W593 HydrophobicContact CD-CH2 4.02Å; K588-W593 HydrophobicContact CD-CZ2 4.42Å; K588-W593 HydrophobicContact CD-CZ3 3.96Å; K588-W593 HydrophobicContact CG-CD2 4.42Å; K588-W593 HydrophobicContact CG-CE3 3.92Å; K588-W593 HydrophobicContact CG-CZ3 3.99Å; W593-H642 AromaticContact CH2-CE1 3.84Å; W593-H642 AromaticContact CH2-NE2 3.37Å; W593-H642 WeakPolarHBondContact CH2-NE2 3.45Å; W593-H642 AromaticContact CZ3-CE1 3.77Å; W593-H642 AromaticContact CZ3-NE2 3.72Å
594	I	93.8	Very high	91.5	Very high	68 Å²	68	67 Å²	67	35%	0.349	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-89.8	122.5	-178.3	-56	172.5	0	0	0	109.1	N585 C586 G587 E589 C596	N585-I594 CarbonylContact C-O 3.48Å; N585-I594 WeakPolarHBondContact CA-O 3.31Å; N585-I594 VanDerWaalsContact CB-O 3.31Å; N585-I594 WeakPolarHBondContact CB-O 3.48Å; C586-I594 HydrophobicContact CB-CG2 4.5Å; C586-I594 PolarHBondContact N-O 3.33Å; G587-I594 WeakPolarHBondContact O-CB 3.5Å; G587-I594 WeakPolarHBondContact O-CG1 3.4Å; G587-I594 PolarHBondContact O-N 3.23Å; E589-I594 HydrophobicContact CB-CD1 4.16Å; E589-I594 HydrophobicContact CB-CG1 4.24Å; I594-C596 PolarHBondContact O-N 3.31Å
595	Q	94.1	Very high	91.7	Very high	125 Å²	125	67 Å²	67	58%	0.584	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-64.3	128.5	169.8	168.1	169.4	37.3	0	0	110.9	I578	I578-Q595 WeakPolarHBondContact O-CG 3.47Å; I578-Q595 PolarHBondContact O-NE2 3.25Å
596	C	94.9	Very high	91.8	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.027	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-71.7	143.2	171.8	-64.1	0	0	0	0	112.1	N577 C586 I594 V601	N577-C596 HydrophobicContact CB-CB 4.24Å; N577-C596 WeakPolarHBondContact O-CB 3.43Å; N577-C596 PolarHBondContact O-N 2.97Å; N577-C596 PolarHBondContact O-SG 3.41Å; N577-C596 VanDerWaalsContact O-SG 3.42Å; C586-C596 VanDerWaalsContact CA-SG 3.52Å; C586-C596 HydrophobicContact CB-CB 4.04Å; C586-C596 WeakPolarHBondContact CB-SG 3.5Å; C586-C596 PolarHBondContact N-SG 3.09Å; C586-C596 VanDerWaalsContact SG-CA 3.52Å; C586-C596 WeakPolarHBondContact SG-CB 3.33Å; C586-C596 CovalentContact SG-SG 2.02Å; C586-C596 PolarHBondContact SG-SG 2.61Å; I594-C596 PolarHBondContact O-N 3.31Å; C596-V601 HydrophobicContact CB-CG1 4.27Å
597	N	94.4	Very high	91.8	Very high	108 Å²	108	66.6 Å²	66.6	58%	0.578	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-69.3	157.9	162.7	-55.5	-62.8	0	0	0	110.4	Q599 D600 V601	N597-Q599 PolarHBondContact O-N 3.41Å; N597-D600 HydrophobicContact CB-CB 4.46Å; N597-D600 WeakPolarHBondContact CB-OD2 3.3Å; N597-D600 PolarHBondContact ND2-OD2 2.8Å; N597-D600 PolarHBondContact O-N 2.67Å; N597-V601 WeakPolarHBondContact O-CG1 3.48Å; N597-V601 PolarHBondContact O-N 2.89Å
598	K	90.6	Very high	92	Very high	179 Å²	179	66.3 Å²	66.3	78%	0.778	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.9	177.6	-69.1	-176.4	178.5	-178.4	0	114.9	I578	I578-K598 HydrophobicContact CD1-CG 4.01Å
599	Q	90.7	Very high	92.2	Very high	159 Å²	159	62.5 Å²	62.5	74%	0.743	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-30.6	176.5	-69.3	172.7	-24.8	0	0	111.9	N597 C671	N597-Q599 PolarHBondContact O-N 3.41Å; Q599-C671 WeakPolarHBondContact O-CB 3.25Å
600	D	93.6	Very high	92.3	Very high	16 Å²	16	62.4 Å²	62.4	9%	0.086	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-6	-173.3	-57.9	-43.5	0	0	0	113.4	N597 H602 C603 G604 K670 C671	N597-D600 HydrophobicContact CB-CB 4.46Å; N597-D600 WeakPolarHBondContact CB-OD2 3.3Å; N597-D600 PolarHBondContact ND2-OD2 2.8Å; N597-D600 PolarHBondContact O-N 2.67Å; D600-H602 PolarHBondContact O-N 3.31Å; D600-C603 PolarHBondContact O-N 3.47Å; D600-G604 PolarHBondContact O-N 3.17Å; D600-K670 WeakPolarHBondContact OD1-CA 3.45Å; D600-C671 PolarHBondContact OD1-N 3.49Å
601	V	94.5	Very high	92.6	Very high	3 Å²	3	55 Å²	55	2%	0.018	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.2	-175.2	-63.6	0	0	0	0	114.9	Y573 E574 N577 I578 C596 N597	Y573-V601 WeakPolarHBondContact CD1-O 3.26Å; E574-V601 HydrophobicContact CG-CG2 4.32Å; N577-V601 HydrophobicContact CB-CB 4.42Å; N577-V601 PolarHBondContact ND2-O 3.38Å; I578-V601 HydrophobicContact CD1-CG1 3.85Å; I578-V601 HydrophobicContact CG1-CG1 3.43Å; I578-V601 VanDerWaalsContact CG1-CG1 3.43Å; C596-V601 HydrophobicContact CB-CG1 4.27Å; N597-V601 WeakPolarHBondContact O-CG1 3.48Å; N597-V601 PolarHBondContact O-N 2.89Å
602	H	93.2	Very high	92.7	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.083	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.1	179.3	-65.1	-41.1	0	0	0	115.1	K570 Y573 D600 C660	K570-H602 WeakPolarHBondContact CE-NE2 3.35Å; K570-H602 WeakPolarHBondContact CG-CE1 3.46Å; Y573-H602 WeakPolarHBondContact CB-ND1 3.43Å; Y573-H602 AromaticContact CG-ND1 3.75Å; D600-H602 PolarHBondContact O-N 3.31Å; H602-C660 HydrophobicContact CB-CB 3.98Å
603	C	94.9	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-5	177.3	-59.3	0	0	0	0	113.3	D600 C660 C666 H669	D600-C603 PolarHBondContact O-N 3.47Å; C603-C660 WeakPolarHBondContact SG-CB 3.18Å; C603-C666 WeakPolarHBondContact CA-SG 3.19Å; C603-C666 HydrophobicContact CB-CB 3.64Å; C603-C666 WeakPolarHBondContact CB-SG 3.34Å; C603-C666 WeakPolarHBondContact SG-CA 3.21Å; C603-C666 WeakPolarHBondContact SG-CB 3.02Å; C603-C666 CovalentContact SG-SG 2.04Å; C603-C666 PolarHBondContact SG-SG 3.15Å; C603-H669 WeakPolarHBondContact CB-O 3.09Å; C603-H669 WeakPolarHBondContact O-CA 3.37Å
604	G	94	Very high	91.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-77	-144.4	169.6	0	0	0	0	0	112.7	N585 D600 V654	N585-G604 CarbonylContact O-C 3.53Å; N585-G604 VanDerWaalsContact O-CA 3.3Å; N585-G604 WeakPolarHBondContact O-CA 3.36Å; D600-G604 PolarHBondContact O-N 3.17Å; G604-V654 WeakPolarHBondContact O-CG2 3.48Å; G604-V654 PolarHBondContact O-N 2.69Å
605	Y	95	Very high	91.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-55.2	135.2	-177.9	-164.9	-118.6	0	0	0	112.7	Y573 N577 N585 L607 T625 A641 H642 G652 Y653	Y573-Y605 WeakPolarHBondContact CE1-O 3.12Å; N577-Y605 PolarHBondContact ND2-N 2.93Å; N577-Y605 PolarHBondContact ND2-O 2.87Å; N577-Y605 WeakPolarHBondContact OD1-CB 3.48Å; N585-Y605 PolarHBondContact O-N 3.38Å; Y605-L607 HydrophobicContact CD1-CD2 3.83Å; Y605-L607 HydrophobicContact CD1-CG 4.37Å; Y605-L607 HydrophobicContact CE1-CD2 4.15Å; Y605-T625 VanDerWaalsContact CE1-OG1 3.32Å; Y605-T625 WeakPolarHBondContact CE1-OG1 3.45Å; Y605-T625 PolarHBondContact OH-OG1 3.22Å; Y605-A641 WeakPolarHBondContact OH-CA 3.16Å; Y605-A641 PolarHBondContact OH-N 2.95Å; Y605-H642 AromaticContact CD2-CE1 3.83Å; Y605-H642 AromaticContact CE2-CE1 3.36Å; Y605-H642 WeakPolarHBondContact CE2-CE1 3.21Å; Y605-H642 AromaticContact CE2-ND1 3.83Å; Y605-H642 AromaticContact CE2-NE2 3.51Å; Y605-G652 WeakPolarHBondContact CD2-O 3.27Å; Y605-Y653 HydrophobicContact CD2-CE1 4.3Å
606	L	95.3	Very high	91.3	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.215	C	C	.	.			trans	-79	124.6	-179.9	-177.6	75.1	0	0	0	110	K553 Q556 I560 G652 V654	K553-L606 HydrophobicContact CB-CD1 4.26Å; K553-L606 HydrophobicContact CG-CD1 4.37Å; Q556-L606 HydrophobicContact CB-CD1 4.47Å; Q556-L606 HydrophobicContact CB-CD2 4.31Å; Q556-L606 HydrophobicContact CG-CD2 3.78Å; I560-L606 HydrophobicContact CD1-CD2 3.58Å; L606-G652 WeakPolarHBondContact CB-O 3.48Å; L606-G652 PolarHBondContact N-O 3.08Å; L606-V654 HydrophobicContact CB-CG2 4.38Å; L606-V654 HydrophobicContact CD1-CG2 3.91Å
607	L	94.4	Very high	90.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.			trans	-116.8	126.2	178.8	-63.1	166.3	0	0	0	109.5	A568 C572 Y573 L576 Y605	A568-L607 VanDerWaalsContact CB-C 3.46Å; A568-L607 HydrophobicContact CB-CB 3.85Å; A568-L607 WeakPolarHBondContact CB-O 3.27Å; A568-L607 PolarHBondContact N-O 2.98Å; C572-L607 HydrophobicContact CB-CB 4.41Å; C572-L607 HydrophobicContact CB-CD1 3.89Å; Y573-L607 HydrophobicContact CD1-CD1 4.27Å; Y573-L607 HydrophobicContact CE1-CB 4.2Å; Y573-L607 HydrophobicContact CE1-CG 4.47Å; Y573-L607 HydrophobicContact CE2-CB 4.01Å; Y573-L607 HydrophobicContact CG-CD1 4.25Å; Y573-L607 PolarHBondContact OH-N 2.85Å; Y573-L607 VanDerWaalsContact OH-N 3.07Å; Y573-L607 PolarHBondContact OH-O 3.28Å; L576-L607 HydrophobicContact CB-CD1 4.23Å; L576-L607 HydrophobicContact CD1-CD1 4.11Å; L576-L607 HydrophobicContact CD1-CD2 4.13Å; Y605-L607 HydrophobicContact CD1-CD2 3.83Å; Y605-L607 HydrophobicContact CD1-CG 4.37Å; Y605-L607 HydrophobicContact CE1-CD2 4.15Å
608	C	94.8	Very high	90.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	165.1	-177.7	-55.3	0	0	0	0	110.2	C557 T566 I611 S639	C557-C608 VanDerWaalsContact CA-SG 3.56Å; C557-C608 HydrophobicContact CB-CB 3.82Å; C557-C608 WeakPolarHBondContact CB-SG 3.31Å; C557-C608 VanDerWaalsContact SG-CA 3.6Å; C557-C608 WeakPolarHBondContact SG-CB 2.99Å; C557-C608 CovalentContact SG-SG 2.03Å; C557-C608 PolarHBondContact SG-SG 3.5Å; T566-C608 CarbonylContact O-C 3.52Å; T566-C608 VanDerWaalsContact O-CA 3.25Å; T566-C608 WeakPolarHBondContact O-CA 3.36Å; T566-C608 WeakPolarHBondContact O-CB 3.34Å; C608-I611 HydrophobicContact CB-CG2 3.47Å; C608-I611 VanDerWaalsContact CB-CG2 3.47Å; C608-S639 PolarHBondContact N-O 3.45Å; C608-S639 PolarHBondContact O-N 3.1Å
609	S	92.2	Very high	90.1	Very high	21 Å²	21	32.4 Å²	32.4	15%	0.147	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	153.4	171.7	-52.3	0	0	0	0	110.4	A565 T566 I611 D637	A565-S609 WeakPolarHBondContact CA-O 3.22Å; T566-S609 PolarHBondContact N-O 3.43Å; T566-S609 PolarHBondContact O-N 2.79Å; S609-I611 VanDerWaalsContact C-N 3.33Å; S609-I611 PolarHBondContact O-N 3.21Å; S609-D637 WeakPolarHBondContact CA-OD2 3.5Å; S609-D637 PolarHBondContact OG-O 2.96Å
610	N	88.4	Confident	89.8	Confident	116 Å²	116	27.9 Å²	27.9	62%	0.62	16%	0.162	S	C	*	.	S	Bend	trans	57.2	39.8	-175	-58.6	-53.2	0	0	0	113.5	D637	N610-D637 PolarHBondContact N-OD2 3.43Å
611	I	89.1	Confident	89.3	Confident	29 Å²	29	32.5 Å²	32.5	15%	0.149	18%	0.183	C	C	.	.			trans	-67.1	151.4	-178.4	68	165.8	0	0	0	112.8	W561 C608 S609 L624	W561-I611 HydrophobicContact CD2-CB 4.02Å; W561-I611 HydrophobicContact CD2-CG2 4.24Å; W561-I611 HydrophobicContact CE3-CB 4.39Å; W561-I611 HydrophobicContact CG-CB 4.12Å; W561-I611 HydrophobicContact CG-CG2 4.05Å; W561-I611 HydrophobicContact CZ2-CD1 4.46Å; C608-I611 HydrophobicContact CB-CG2 3.47Å; C608-I611 VanDerWaalsContact CB-CG2 3.47Å; S609-I611 VanDerWaalsContact C-N 3.33Å; S609-I611 PolarHBondContact O-N 3.21Å; I611-L624 HydrophobicContact CD1-CB 4.33Å; I611-L624 HydrophobicContact CD1-CD2 3.51Å; I611-L624 HydrophobicContact CD1-CG 3.75Å; I611-L624 HydrophobicContact CG1-CD2 4.09Å
612	S	84.3	Confident	88.6	Confident	11 Å²	11	35.9 Å²	35.9	8%	0.077	22%	0.218	C	C	.	.			trans	-81.6	145.4	174.6	175.7	0	0	0	0	110.4	K388 W561 A614	K388-S612 WeakPolarHBondContact CD-OG 3.42Å; K388-S612 WeakPolarHBondContact CE-OG 3.41Å; K388-S612 PolarHBondContact NZ-OG 3.34Å; W561-S612 VanDerWaalsContact CE3-O 3.23Å; W561-S612 VanDerWaalsContact CZ3-O 3.23Å; W561-S612 WeakPolarHBondContact CZ3-O 3.46Å; S612-A614 VanDerWaalsContact CB-O 3.23Å; S612-A614 WeakPolarHBondContact CB-O 3.3Å; S612-A614 PolarHBondContact O-N 3.43Å; S612-A614 PolarHBondContact OG-N 2.81Å; S612-A614 PolarHBondContact OG-O 3.26Å
613	P	82.4	Confident	87.9	Confident	113 Å²	113	36.4 Å²	36.4	73%	0.734	23%	0.229	S	C	*	.	S	Bend	trans	-63.7	-20	175.5	27.2	-35.8	0	0	0	113.7
614	A	83.8	Confident	87.4	Confident	31 Å²	31	39.3 Å²	39.3	26%	0.256	24%	0.244	S	C	.	.	S	Bend	trans	-126.9	138.7	171.9	0	0	0	0	0	110.4	S612	S612-A614 VanDerWaalsContact CB-O 3.23Å; S612-A614 WeakPolarHBondContact CB-O 3.3Å; S612-A614 PolarHBondContact O-N 3.43Å; S612-A614 PolarHBondContact OG-N 2.81Å; S612-A614 PolarHBondContact OG-O 3.26Å
615	P	88.4	Confident	86.9	Confident	10 Å²	10	40 Å²	40	7%	0.065	25%	0.249	C	C	.	.			trans	-72	161.1	170.9	33.1	-35.4	0	0	0	110.8	I560 W561 V643	I560-P615 HydrophobicContact CG2-CB 3.96Å; I560-P615 CarbonylContact O-C 3.58Å; I560-P615 WeakPolarHBondContact O-CA 3.43Å; W561-P615 HydrophobicContact CE3-CB 4.18Å; W561-P615 HydrophobicContact CH2-CB 4.49Å; W561-P615 HydrophobicContact CZ3-CB 3.96Å; W561-P615 HydrophobicContact CZ3-CG 4.49Å; P615-V643 HydrophobicContact CB-CG1 4.2Å; P615-V643 HydrophobicContact CB-CG2 4.28Å; P615-V643 HydrophobicContact CG-CG1 4.26Å; P615-V643 HydrophobicContact CG-CG2 4.38Å
616	R	87.5	Confident	86.2	Confident	33 Å²	33	44 Å²	44	13%	0.125	28%	0.277	C	S	.	.	S	Bend	trans	-72.6	-38.2	177	-65.5	178.4	66.6	-149.3	2.5	112.1	F384 D386 K387 K388 E424 I560 G562	F384-R616 HydrophobicContact CE2-CB 4.17Å; D386-R616 WeakPolarHBondContact CA-O 3.32Å; D386-R616 IonicContact OD2-CZ 3.71Å; D386-R616 IonicContact OD2-NE 2.83Å; D386-R616 PolarHBondContact OD2-NE 3.29Å; D386-R616 IonicContact OD2-NH2 3.08Å; D386-R616 PolarHBondContact OD2-NH2 3.1Å; K387-R616 PolarHBondContact N-O 3.1Å; K388-R616 HydrophobicContact CD-CG 4.48Å; E424-R616 IonicContact OE1-NH2 3.28Å; E424-R616 PolarHBondContact OE1-NH2 3.34Å; E424-R616 IonicContact OE2-CZ 2.69Å; E424-R616 IonicContact OE2-NH1 2.79Å; E424-R616 IonicContact OE2-NH2 3.32Å; E424-R616 PolarHBondContact OE2-NH2 2.97Å; I560-R616 PolarHBondContact O-N 3.16Å; G562-R616 VanDerWaalsContact CA-CD 3.45Å
617	L	85.9	Confident	85.6	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.047	29%	0.293	C	S	.	.	S	Bend	trans	-137.9	164.6	-177.4	72.6	162.9	0	0	0	111	F384 Y559 V643 I645	F384-L617 HydrophobicContact CD2-CB 3.83Å; F384-L617 HydrophobicContact CE2-CB 4.21Å; F384-L617 HydrophobicContact CE2-CD2 4.47Å; F384-L617 HydrophobicContact CG-CB 4.29Å; Y559-L617 HydrophobicContact CD1-CD2 4.27Å; Y559-L617 HydrophobicContact CE1-CD1 3.69Å; Y559-L617 HydrophobicContact CE1-CD2 4.14Å; Y559-L617 HydrophobicContact CE2-CD1 4.32Å; Y559-L617 WeakPolarHBondContact O-CD2 3.36Å; Y559-L617 WeakPolarHBondContact OH-CD1 3.46Å; L617-V643 WeakPolarHBondContact O-CG1 3.34Å; L617-I645 HydrophobicContact CB-CD1 4.49Å; L617-I645 HydrophobicContact CD1-CD1 3.51Å; L617-I645 HydrophobicContact CG-CD1 3.6Å
618	G	84.6	Confident	85	Confident	14 Å²	14	51.7 Å²	51.7	14%	0.144	32%	0.32	C	S	.	.	S	Bend	trans	75	-174.3	-174.8	0	0	0	0	0	113.9	K387 L644	K387-G618 PolarHBondContact NZ-O 3.2Å; G618-L644 CarbonylContact C-O 3.03Å; G618-L644 VanDerWaalsContact CA-O 3.23Å; G618-L644 WeakPolarHBondContact CA-O 3.49Å
619	D	84.3	Confident	84.3	Confident	93 Å²	93	52.4 Å²	52.4	50%	0.497	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.8	176.4	-72.7	-65.2	0	0	0	110.4	K387 Q621 L644	K387-D619 IonicContact NZ-OD1 3.73Å; K387-D619 PolarHBondContact NZ-OD1 3.05Å; K387-D619 IonicContact NZ-OD2 3.38Å; K387-D619 PolarHBondContact NZ-OD2 3.44Å; D619-Q621 PolarHBondContact O-N 3.17Å; D619-L644 PolarHBondContact N-O 3.41Å; D619-L644 PolarHBondContact O-N 2.8Å
620	L	86.2	Confident	83.7	Confident	64 Å²	64	55.1 Å²	55.1	34%	0.335	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.3	-174.9	-170.5	80	0	0	0	109.9	W561 L624 A641 V643	W561-L620 HydrophobicContact CH2-CD1 4.14Å; L620-L624 HydrophobicContact CD1-CD1 4.02Å; L620-L624 HydrophobicContact CD2-CD1 3.69Å; L620-A641 HydrophobicContact CD1-CB 3.43Å; L620-A641 VanDerWaalsContact CD1-CB 3.43Å; L620-V643 HydrophobicContact CD1-CG2 4.22Å
621	Q	81.6	Confident	83.1	Confident	114 Å²	114	52.3 Å²	52.3	53%	0.533	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.1	175.5	-163.5	178.4	33.7	0	0	110.2	D619 G623 H642 L644	D619-Q621 PolarHBondContact O-N 3.17Å; Q621-G623 PolarHBondContact O-N 2.65Å; Q621-H642 HydrophobicContact CB-CB 4.14Å; Q621-H642 PolarHBondContact N-O 3.3Å; Q621-L644 HydrophobicContact CB-CD1 4.15Å; Q621-L644 HydrophobicContact CB-CG 4.4Å; Q621-L644 HydrophobicContact CG-CD1 4.3Å
622	G	79.6	Confident	82.3	Confident	73 Å²	73	60.1 Å²	60.1	75%	0.753	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	82.3	-109.7	-177	0	0	0	0	0	112.1
623	G	80.3	Confident	81.6	Confident	30 Å²	30	63.1 Å²	63.1	31%	0.309	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	174.8	-177.5	0	0	0	0	0	113.3	Q621 T625	Q621-G623 PolarHBondContact O-N 2.65Å; G623-T625 PolarHBondContact O-N 3.32Å
624	L	83.2	Confident	81.4	Confident	60 Å²	60	60.3 Å²	60.3	31%	0.314	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.4	176.2	-84.9	64.6	0	0	0	110.6	W561 I611 L620 S626	W561-L624 HydrophobicContact CH2-CD1 4.49Å; I611-L624 HydrophobicContact CD1-CB 4.33Å; I611-L624 HydrophobicContact CD1-CD2 3.51Å; I611-L624 HydrophobicContact CD1-CG 3.75Å; I611-L624 HydrophobicContact CG1-CD2 4.09Å; L620-L624 HydrophobicContact CD1-CD1 4.02Å; L620-L624 HydrophobicContact CD2-CD1 3.69Å; L624-S626 PolarHBondContact O-N 2.74Å
625	T	83	Confident	81.3	Confident	16 Å²	16	63.7 Å²	63.7	10%	0.098	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	75.4	175.1	53.7	0	0	0	0	109.7	E582 Y605 G623 S639 G640	E582-T625 HydrophobicContact CG-CG2 4.14Å; Y605-T625 VanDerWaalsContact CE1-OG1 3.32Å; Y605-T625 WeakPolarHBondContact CE1-OG1 3.45Å; Y605-T625 PolarHBondContact OH-OG1 3.22Å; G623-T625 PolarHBondContact O-N 3.32Å; T625-S639 WeakPolarHBondContact O-CA 3.33Å; T625-G640 PolarHBondContact N-O 3.24Å; T625-G640 PolarHBondContact O-N 2.98Å; T625-G640 VanDerWaalsContact O-N 3.15Å; T625-G640 PolarHBondContact OG1-O 3.07Å
626	S	81.9	Confident	81.2	Confident	84 Å²	84	65.2 Å²	65.2	59%	0.587	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.6	175.8	57.9	0	0	0	0	112.2	L624 S639	L624-S626 PolarHBondContact O-N 2.74Å; S626-S639 VanDerWaalsContact CA-OG 3.32Å; S626-S639 WeakPolarHBondContact CA-OG 3.49Å; S626-S639 VanDerWaalsContact CB-OG 3.23Å; S626-S639 WeakPolarHBondContact CB-OG 3.45Å
627	F	82.8	Confident	81.3	Confident	82 Å²	82	66.3 Å²	66.3	36%	0.36	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139.4	176.7	-165.6	-107.3	0	0	0	111.8	L576 V629 C638	L576-F627 HydrophobicContact CD1-CB 4.46Å; L576-F627 HydrophobicContact CD1-CD1 4.42Å; L576-F627 HydrophobicContact CD2-CD1 3.83Å; L576-F627 HydrophobicContact CD2-CE1 4.23Å; F627-V629 HydrophobicContact CD1-CG2 3.66Å; F627-V629 HydrophobicContact CE1-CG2 3.88Å; F627-C638 PolarHBondContact N-O 2.9Å; F627-C638 CarbonylContact O-C 3.54Å; F627-C638 WeakPolarHBondContact O-CA 3.37Å; F627-C638 WeakPolarHBondContact O-CB 3.5Å; F627-C638 PolarHBondContact O-N 2.99Å; F627-C638 VanDerWaalsContact O-O 3.1Å
628	S	81.8	Confident	81.6	Confident	82 Å²	82	65.9 Å²	65.9	57%	0.573	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.4	175.9	53.4	0	0	0	0	111.5	L636	S628-L636 CarbonylContact C-O 3.59Å; S628-L636 VanDerWaalsContact CA-O 3.25Å; S628-L636 WeakPolarHBondContact CA-O 3.28Å
629	V	79.6	Confident	82	Confident	16 Å²	16	65.4 Å²	65.4	10%	0.097	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.5	177.6	-173.5	0	0	0	0	109	F571 K575 F627 Q631 L636 C638	F571-V629 HydrophobicContact CD1-CG1 3.82Å; F571-V629 HydrophobicContact CE1-CG1 3.53Å; K575-V629 HydrophobicContact CG-CG1 4.43Å; F627-V629 HydrophobicContact CD1-CG2 3.66Å; F627-V629 HydrophobicContact CE1-CG2 3.88Å; V629-Q631 PolarHBondContact O-N 2.87Å; V629-L636 PolarHBondContact N-O 3.3Å; V629-L636 WeakPolarHBondContact O-CB 3.03Å; V629-L636 PolarHBondContact O-N 3.25Å; V629-C638 HydrophobicContact CG2-CB 4.39Å; V629-C638 WeakPolarHBondContact CG2-SG 3.33Å
630	A	80.1	Confident	82.3	Confident	77 Å²	77	61 Å²	61	64%	0.636	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.4	176.3	0	0	0	0	0	111.3	A634	A630-A634 WeakPolarHBondContact CA-O 3.19Å
631	Q	74.8	Confident	82.5	Confident	57 Å²	57	58.1 Å²	58.1	27%	0.266	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.7	170.8	-157.7	-164.8	28.6	0	0	109	F571 V629 G633 A634 L636	F571-Q631 HydrophobicContact CD1-CB 3.9Å; F571-Q631 HydrophobicContact CD1-CG 3.81Å; F571-Q631 HydrophobicContact CD2-CG 4.5Å; F571-Q631 HydrophobicContact CE1-CB 3.9Å; F571-Q631 HydrophobicContact CE1-CG 3.8Å; F571-Q631 HydrophobicContact CG-CG 4.15Å; F571-Q631 HydrophobicContact CZ-CG 4.16Å; V629-Q631 PolarHBondContact O-N 2.87Å; Q631-G633 PolarHBondContact O-N 3.25Å; Q631-A634 PolarHBondContact N-O 3.26Å; Q631-A634 PolarHBondContact O-N 3.26Å; Q631-L636 HydrophobicContact CB-CD1 3.7Å; Q631-L636 HydrophobicContact CB-CG 4.4Å
632	H	72.1	Confident	82.9	Confident	194 Å²	194	53.2 Å²	53.2	90%	0.898	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	24.7	-176.4	-55.8	107.5	0	0	0	115.6
633	G	70.3	Confident	83.4	Confident	74 Å²	74	49.8 Å²	49.8	76%	0.763	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	-5.9	-178.6	0	0	0	0	0	115.4	Q631	Q631-G633 PolarHBondContact O-N 3.25Å
634	A	76.7	Confident	83.7	Confident	53 Å²	53	50.5 Å²	50.5	44%	0.438	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134	169.2	0	0	0	0	0	110.4	A630 Q631	A630-A634 WeakPolarHBondContact CA-O 3.19Å; Q631-A634 PolarHBondContact N-O 3.26Å; Q631-A634 PolarHBondContact O-N 3.26Å
635	P	82.8	Confident	83.6	Confident	103 Å²	103	48.5 Å²	48.5	67%	0.669	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.5	170.4	30.9	-31.4	0	0	0	110.1
636	L	86.8	Confident	83	Confident	41 Å²	41	49.1 Å²	49.1	22%	0.215	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.9	170.4	-64.7	169.2	0	0	0	109.6	D569 F571 S628 V629 Q631 C638	D569-L636 HydrophobicContact CB-CD1 4Å; D569-L636 HydrophobicContact CB-CD2 4.3Å; F571-L636 HydrophobicContact CB-CD1 4.37Å; F571-L636 HydrophobicContact CD1-CD1 4.18Å; S628-L636 CarbonylContact C-O 3.59Å; S628-L636 VanDerWaalsContact CA-O 3.25Å; S628-L636 WeakPolarHBondContact CA-O 3.28Å; V629-L636 PolarHBondContact N-O 3.3Å; V629-L636 WeakPolarHBondContact O-CB 3.03Å; V629-L636 PolarHBondContact O-N 3.25Å; Q631-L636 HydrophobicContact CB-CD1 3.7Å; Q631-L636 HydrophobicContact CB-CG 4.4Å; L636-C638 PolarHBondContact O-N 3.37Å
637	D	89.4	Confident	82.2	Confident	57 Å²	57	47.2 Å²	47.2	31%	0.305	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108.1	173.7	176.8	26.8	0	0	0	110.1	S609 N610 S639	S609-D637 WeakPolarHBondContact CA-OD2 3.5Å; S609-D637 PolarHBondContact OG-O 2.96Å; N610-D637 PolarHBondContact N-OD2 3.43Å; D637-S639 PolarHBondContact OD1-OG 2.98Å
638	C	91.9	Very high	81.6	Confident	0 Å²	0	49 Å²	49	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	89.2	177.3	-49.1	0	0	0	0	107.7	C572 L576 F627 V629 L636	C572-C638 HydrophobicContact CB-CB 3.6Å; C572-C638 WeakPolarHBondContact CB-SG 3.37Å; C572-C638 WeakPolarHBondContact SG-CB 3.42Å; C572-C638 CovalentContact SG-SG 2.03Å; C572-C638 PolarHBondContact SG-SG 2.86Å; L576-C638 HydrophobicContact CD1-CB 3.72Å; F627-C638 PolarHBondContact N-O 2.9Å; F627-C638 CarbonylContact O-C 3.54Å; F627-C638 WeakPolarHBondContact O-CA 3.37Å; F627-C638 WeakPolarHBondContact O-CB 3.5Å; F627-C638 PolarHBondContact O-N 2.99Å; F627-C638 VanDerWaalsContact O-O 3.1Å; V629-C638 HydrophobicContact CG2-CB 4.39Å; V629-C638 WeakPolarHBondContact CG2-SG 3.33Å; L636-C638 PolarHBondContact O-N 3.37Å
639	S	92.4	Very high	81.6	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.7	-173.2	-69.9	0	0	0	0	112.3	C608 T625 S626 D637	C608-S639 PolarHBondContact N-O 3.45Å; C608-S639 PolarHBondContact O-N 3.1Å; T625-S639 WeakPolarHBondContact O-CA 3.33Å; S626-S639 VanDerWaalsContact CA-OG 3.32Å; S626-S639 WeakPolarHBondContact CA-OG 3.49Å; S626-S639 VanDerWaalsContact CB-OG 3.23Å; S626-S639 WeakPolarHBondContact CB-OG 3.45Å; D637-S639 PolarHBondContact OD1-OG 2.98Å
640	G	91.4	Very high	82	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	-178.7	178.3	0	0	0	0	0	113.2	T625	T625-G640 PolarHBondContact N-O 3.24Å; T625-G640 PolarHBondContact O-N 2.98Å; T625-G640 VanDerWaalsContact O-N 3.15Å; T625-G640 PolarHBondContact OG1-O 3.07Å
641	A	90.8	Very high	82.4	Confident	3 Å²	3	45.3 Å²	45.3	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	160.1	163.1	0	0	0	0	0	110.7	W561 Y605 L620 V643 G652	W561-A641 HydrophobicContact CH2-CB 3.59Å; W561-A641 HydrophobicContact CZ2-CB 3.73Å; Y605-A641 WeakPolarHBondContact OH-CA 3.16Å; Y605-A641 PolarHBondContact OH-N 2.95Å; L620-A641 HydrophobicContact CD1-CB 3.43Å; L620-A641 VanDerWaalsContact CD1-CB 3.43Å; A641-V643 HydrophobicContact CB-CG2 4.38Å; A641-G652 WeakPolarHBondContact O-CA 3.4Å
642	H	89.4	Confident	83.1	Confident	11 Å²	11	42.7 Å²	42.7	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.7	165.6	-63.4	-74.4	0	0	0	109.3	W593 Y605 Q621 D650 Y653	W593-H642 AromaticContact CH2-CE1 3.84Å; W593-H642 AromaticContact CH2-NE2 3.37Å; W593-H642 WeakPolarHBondContact CH2-NE2 3.45Å; W593-H642 AromaticContact CZ3-CE1 3.77Å; W593-H642 AromaticContact CZ3-NE2 3.72Å; Y605-H642 AromaticContact CD2-CE1 3.83Å; Y605-H642 AromaticContact CE2-CE1 3.36Å; Y605-H642 WeakPolarHBondContact CE2-CE1 3.21Å; Y605-H642 AromaticContact CE2-ND1 3.83Å; Y605-H642 AromaticContact CE2-NE2 3.51Å; Q621-H642 HydrophobicContact CB-CB 4.14Å; Q621-H642 PolarHBondContact N-O 3.3Å; H642-D650 WeakPolarHBondContact CA-OD1 3.47Å; H642-D650 IonicContact CE1-OD2 2.71Å; H642-D650 IonicContact CG-OD2 3.27Å; H642-D650 IonicContact ND1-OD2 3.59Å; H642-D650 PolarHBondContact ND1-OD2 2.8Å; H642-Y653 AromaticContact CE1-CZ 3.89Å; H642-Y653 PolarHBondContact CE1-OH 3.47Å
643	V	89.4	Confident	84.2	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	98	-175.9	179.4	0	0	0	0	107.7	I560 W561 P615 L617 L620 A641 D650 L651	I560-V643 HydrophobicContact CG2-CB 4.46Å; I560-V643 HydrophobicContact CG2-CG1 4.41Å; I560-V643 HydrophobicContact CG2-CG2 3.97Å; W561-V643 HydrophobicContact CH2-CG2 4.18Å; W561-V643 HydrophobicContact CZ2-CG2 4.23Å; P615-V643 HydrophobicContact CB-CG1 4.2Å; P615-V643 HydrophobicContact CB-CG2 4.28Å; P615-V643 HydrophobicContact CG-CG1 4.26Å; P615-V643 HydrophobicContact CG-CG2 4.38Å; L617-V643 WeakPolarHBondContact O-CG1 3.34Å; L620-V643 HydrophobicContact CD1-CG2 4.22Å; A641-V643 HydrophobicContact CB-CG2 4.38Å; V643-D650 PolarHBondContact N-OD1 2.77Å; V643-L651 HydrophobicContact CB-CB 4.4Å; V643-L651 PolarHBondContact O-N 3.06Å
644	L	86.9	Confident	85.3	Confident	45 Å²	45	31 Å²	31	24%	0.236	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.7	-178	-72.6	174.4	0	0	0	110.8	G618 D619 Q621 D650	G618-L644 CarbonylContact C-O 3.03Å; G618-L644 VanDerWaalsContact CA-O 3.23Å; G618-L644 WeakPolarHBondContact CA-O 3.49Å; D619-L644 PolarHBondContact N-O 3.41Å; D619-L644 PolarHBondContact O-N 2.8Å; Q621-L644 HydrophobicContact CB-CD1 4.15Å; Q621-L644 HydrophobicContact CB-CG 4.4Å; Q621-L644 HydrophobicContact CG-CD1 4.3Å; L644-D650 HydrophobicContact CD2-CB 4.06Å
645	I	81.3	Confident	86	Confident	19 Å²	19	31.4 Å²	31.4	10%	0.097	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.8	172.4	-54.4	-165	0	0	0	107.7	L617 G647 T649 L651	L617-I645 HydrophobicContact CB-CD1 4.49Å; L617-I645 HydrophobicContact CD1-CD1 3.51Å; L617-I645 HydrophobicContact CG-CD1 3.6Å; I645-G647 PolarHBondContact O-N 2.95Å; I645-G647 VanDerWaalsContact O-N 3.13Å; I645-T649 PolarHBondContact N-O 3Å; I645-T649 WeakPolarHBondContact O-CA 3.39Å; I645-T649 WeakPolarHBondContact O-CB 3.23Å; I645-T649 PolarHBondContact O-N 3.27Å; I645-L651 HydrophobicContact CD1-CD1 3.32Å; I645-L651 HydrophobicContact CD1-CG 3.67Å; I645-L651 HydrophobicContact CG1-CD1 4.24Å; I645-L651 HydrophobicContact CG1-CG 4.07Å
646	D	69.5	Low	86.4	Confident	28 Å²	28	30 Å²	30	15%	0.15	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.6	176.1	-54.2	-21.6	0	0	0	113.3	M309 K313 Y347 D648	M309-D646 VanDerWaalsContact CE-C 3.49Å; M309-D646 HydrophobicContact CE-CB 4.04Å; M309-D646 VanDerWaalsContact CG-O 3.23Å; M309-D646 WeakPolarHBondContact CG-O 3.1Å; M309-D646 VanDerWaalsContact SD-CA 3.55Å; M309-D646 HydrophobicContact SD-CB 3.72Å; K313-D646 PolarHBondContact NZ-O 2.85Å; Y347-D646 HydrophobicContact CD1-CB 4.21Å; Y347-D646 VanDerWaalsContact CD1-OD2 3.27Å; Y347-D646 WeakPolarHBondContact CD1-OD2 3.47Å; Y347-D646 HydrophobicContact CE1-CB 4.11Å; D646-D648 PolarHBondContact O-N 2.91Å
647	G	65.3	Low	86.4	Confident	45 Å²	45	28.2 Å²	28.2	46%	0.464	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-49.4	-179.6	0	0	0	0	0	115.1	I645	I645-G647 PolarHBondContact O-N 2.95Å; I645-G647 VanDerWaalsContact O-N 3.13Å
648	D	70.4	Confident	86.5	Confident	120 Å²	120	25.6 Å²	25.6	64%	0.642	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-11.8	-168.7	-55.9	-0.7	0	0	0	113.6	K313 D646 D650	K313-D648 IonicContact NZ-OD1 3.76Å; K313-D648 PolarHBondContact NZ-OD1 3.27Å; K313-D648 VanDerWaalsContact NZ-OD1 3.1Å; K313-D648 IonicContact NZ-OD2 3.74Å; K313-D648 PolarHBondContact NZ-OD2 3.01Å; D646-D648 PolarHBondContact O-N 2.91Å; D648-D650 PolarHBondContact O-N 3.2Å
649	T	81.4	Confident	86.5	Confident	51 Å²	51	26 Å²	26	31%	0.313	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	99.5	-174.4	-47.5	0	0	0	0	109.5	I645 L651	I645-T649 PolarHBondContact N-O 3Å; I645-T649 WeakPolarHBondContact O-CA 3.39Å; I645-T649 WeakPolarHBondContact O-CB 3.23Å; I645-T649 PolarHBondContact O-N 3.27Å; T649-L651 HydrophobicContact CG2-CD2 4.38Å; T649-L651 PolarHBondContact O-N 3.3Å
650	D	88	Confident	86.5	Confident	32 Å²	32	26.8 Å²	26.8	17%	0.171	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108.9	175.5	-174.4	11.2	0	0	0	111.4	H642 V643 L644 D648 G652 Y653	H642-D650 WeakPolarHBondContact CA-OD1 3.47Å; H642-D650 IonicContact CE1-OD2 2.71Å; H642-D650 IonicContact CG-OD2 3.27Å; H642-D650 IonicContact ND1-OD2 3.59Å; H642-D650 PolarHBondContact ND1-OD2 2.8Å; V643-D650 PolarHBondContact N-OD1 2.77Å; L644-D650 HydrophobicContact CD2-CB 4.06Å; D648-D650 PolarHBondContact O-N 3.2Å; D650-G652 PolarHBondContact O-N 2.88Å; D650-G652 WeakPolarHBondContact OD1-CA 3.49Å; D650-G652 PolarHBondContact OD1-N 2.77Å; D650-Y653 HydrophobicContact CB-CD2 4.07Å; D650-Y653 HydrophobicContact CB-CE2 4.29Å; D650-Y653 WeakPolarHBondContact OD2-CD2 3.43Å; D650-Y653 WeakPolarHBondContact OD2-CE2 3.2Å
651	L	89.4	Confident	86.2	Confident	14 Å²	14	28.2 Å²	28.2	7%	0.073	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.3	172.8	-65.7	-160.3	0	0	0	113.6	Q556 Y559 I560 V643 I645 T649 Y653	Q556-L651 PolarHBondContact NE2-O 2.91Å; Y559-L651 HydrophobicContact CD1-CD1 4Å; Y559-L651 HydrophobicContact CE1-CD1 3.85Å; I560-L651 HydrophobicContact CD1-CB 3.78Å; I560-L651 HydrophobicContact CD1-CD1 4.4Å; I560-L651 VanDerWaalsContact CD1-O 3.28Å; I560-L651 WeakPolarHBondContact CD1-O 3.39Å; I560-L651 HydrophobicContact CG1-CB 4.06Å; I560-L651 HydrophobicContact CG1-CD1 3.84Å; V643-L651 HydrophobicContact CB-CB 4.4Å; V643-L651 PolarHBondContact O-N 3.06Å; I645-L651 HydrophobicContact CD1-CD1 3.32Å; I645-L651 HydrophobicContact CD1-CG 3.67Å; I645-L651 HydrophobicContact CG1-CD1 4.24Å; I645-L651 HydrophobicContact CG1-CG 4.07Å; T649-L651 HydrophobicContact CG2-CD2 4.38Å; T649-L651 PolarHBondContact O-N 3.3Å; L651-Y653 PolarHBondContact O-N 2.64Å
652	G	90.2	Very high	85.8	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.021	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-8.7	173.2	0	0	0	0	0	114.6	Y605 L606 A641 D650	Y605-G652 WeakPolarHBondContact CD2-O 3.27Å; L606-G652 WeakPolarHBondContact CB-O 3.48Å; L606-G652 PolarHBondContact N-O 3.08Å; A641-G652 WeakPolarHBondContact O-CA 3.4Å; D650-G652 PolarHBondContact O-N 2.88Å; D650-G652 WeakPolarHBondContact OD1-CA 3.49Å; D650-G652 PolarHBondContact OD1-N 2.77Å
653	Y	93.8	Very high	85.6	Confident	20 Å²	20	38.2 Å²	38.2	8%	0.078	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-105.1	152.4	170.4	-64.1	-80.2	0	0	0	111.5	Q556 N585 G587 Y605 H642 D650 L651 E655 H669	Q556-Y653 PolarHBondContact NE2-O 3.42Å; N585-Y653 VanDerWaalsContact OD1-CE1 3.28Å; N585-Y653 WeakPolarHBondContact OD1-CE1 3.17Å; N585-Y653 PolarHBondContact OD1-OH 3.34Å; G587-Y653 WeakPolarHBondContact CA-OH 3.39Å; Y605-Y653 HydrophobicContact CD2-CE1 4.3Å; H642-Y653 AromaticContact CE1-CZ 3.89Å; H642-Y653 PolarHBondContact CE1-OH 3.47Å; D650-Y653 HydrophobicContact CB-CD2 4.07Å; D650-Y653 HydrophobicContact CB-CE2 4.29Å; D650-Y653 WeakPolarHBondContact OD2-CD2 3.43Å; D650-Y653 WeakPolarHBondContact OD2-CE2 3.2Å; L651-Y653 PolarHBondContact O-N 2.64Å; Y653-E655 PolarHBondContact O-N 2.97Å; Y653-H669 AromaticContact CD1-NE2 3.87Å; Y653-H669 AromaticContact CD2-NE2 3.86Å; Y653-H669 AromaticContact CG-CE1 3.99Å; Y653-H669 AromaticContact CG-NE2 3.47Å
654	V	94.6	Very high	85.6	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.018	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.9	124.2	175.5	173.9	0	0	0	0	110	K553 Y573 G604 L606 T658	K553-V654 HydrophobicContact CD-CG1 4.45Å; K553-V654 HydrophobicContact CD-CG2 4.02Å; K553-V654 HydrophobicContact CG-CG1 4.1Å; K553-V654 HydrophobicContact CG-CG2 4.16Å; Y573-V654 HydrophobicContact CE1-CG2 4.15Å; G604-V654 WeakPolarHBondContact O-CG2 3.48Å; G604-V654 PolarHBondContact O-N 2.69Å; L606-V654 HydrophobicContact CB-CG2 4.38Å; L606-V654 HydrophobicContact CD1-CG2 3.91Å; V654-T658 HydrophobicContact CG1-CG2 3.74Å
655	E	91.6	Very high	85.8	Confident	61 Å²	61	37.5 Å²	37.5	29%	0.285	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-59.1	141.2	-175.8	-82.1	-173.6	-158.4	0	0	113.3	K551 Y653 G657 T658	K551-E655 IonicContact NZ-OE2 2.69Å; K551-E655 PolarHBondContact NZ-OE2 2.97Å; Y653-E655 PolarHBondContact O-N 2.97Å; E655-G657 PolarHBondContact O-N 3.45Å; E655-T658 WeakPolarHBondContact O-CB 3.36Å; E655-T658 PolarHBondContact O-N 3.02Å; E655-T658 PolarHBondContact O-OG1 3.33Å
656	D	90.1	Very high	86.4	Confident	74 Å²	74	36.6 Å²	36.6	40%	0.396	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	138.3	167.2	-62.6	-38.5	0	0	0	111	K551 C666 L667 D668	K551-D656 VanDerWaalsContact CD-O 3.32Å; K551-D656 WeakPolarHBondContact CD-O 3.46Å; K551-D656 VanDerWaalsContact CE-O 3.3Å; K551-D656 WeakPolarHBondContact CE-O 3.37Å; K551-D656 PolarHBondContact NZ-O 2.94Å; D656-C666 WeakPolarHBondContact CA-O 3.28Å; D656-L667 HydrophobicContact CB-CD1 4.34Å; D656-L667 VanDerWaalsContact OD1-CA 3.25Å; D656-L667 WeakPolarHBondContact OD1-CA 3.23Å; D656-D668 PolarHBondContact OD1-N 2.9Å
657	G	87.9	Confident	87.4	Confident	3 Å²	3	38 Å²	38	3%	0.031	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-10.4	-171.9	0	0	0	0	0	114.6	R544 F546 E655 I665 C666	R544-G657 WeakPolarHBondContact CB-O 3.3Å; F546-G657 WeakPolarHBondContact CE2-O 3.32Å; F546-G657 VanDerWaalsContact CZ-CA 3.49Å; E655-G657 PolarHBondContact O-N 3.45Å; G657-I665 VanDerWaalsContact CA-CG2 3.41Å; G657-C666 PolarHBondContact N-O 3.49Å
658	T	91.7	Very high	88.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	24%	0.237	C	C	.	.			trans	-72.4	144.9	177.6	-55.3	0	0	0	0	112.2	K553 V654 E655 C660 I665 C666	K553-T658 HydrophobicContact CG-CG2 3.85Å; V654-T658 HydrophobicContact CG1-CG2 3.74Å; E655-T658 WeakPolarHBondContact O-CB 3.36Å; E655-T658 PolarHBondContact O-N 3.02Å; E655-T658 PolarHBondContact O-OG1 3.33Å; T658-C660 PolarHBondContact O-N 3.19Å; T658-I665 WeakPolarHBondContact O-CA 3.32Å; T658-C666 PolarHBondContact O-N 3.26Å
659	A	91.6	Very high	89.6	Confident	8 Å²	8	38.3 Å²	38.3	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	129.3	176.1	0	0	0	0	0	112.6	R544 K553	R544-A659 HydrophobicContact CG-CB 4.22Å; K553-A659 PolarHBondContact NZ-O 3.44Å
660	C	90.9	Very high	90.1	Very high	19 Å²	19	41.2 Å²	41.2	13%	0.128	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-16.2	172	60.9	0	0	0	0	113.6	H602 C603 T658 S664 I665 C671	H602-C660 HydrophobicContact CB-CB 3.98Å; C603-C660 WeakPolarHBondContact SG-CB 3.18Å; T658-C660 PolarHBondContact O-N 3.19Å; C660-S664 PolarHBondContact N-O 3.19Å; C660-S664 PolarHBondContact SG-O 3.4Å; C660-S664 VanDerWaalsContact SG-O 3.39Å; C660-I665 PolarHBondContact SG-N 3.44Å; C660-I665 VanDerWaalsContact SG-N 3.42Å; C660-C671 HydrophobicContact CB-CB 3.83Å; C660-C671 WeakPolarHBondContact CB-SG 3.48Å; C660-C671 WeakPolarHBondContact SG-CA 3.45Å; C660-C671 WeakPolarHBondContact SG-CB 3.22Å; C660-C671 CovalentContact SG-SG 2.03Å; C660-C671 PolarHBondContact SG-SG 2.88Å
661	G	86.2	Confident	90.4	Very high	31 Å²	31	40.9 Å²	40.9	32%	0.32	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-179.9	173.7	0	0	0	0	0	111.7	D663 S664	G661-D663 PolarHBondContact O-N 3.1Å; G661-S664 PolarHBondContact N-O 3.09Å; G661-S664 PolarHBondContact O-N 3.07Å
662	T	83.3	Confident	90.5	Very high	120 Å²	120	42.3 Å²	42.3	74%	0.736	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.1	-178.1	44.7	0	0	0	0	113.2	R544	R544-T662 PolarHBondContact NH2-O 3.31Å
663	D	84.8	Confident	90.5	Very high	105 Å²	105	44.6 Å²	44.6	56%	0.561	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.5	39.2	176.6	-62.6	-64.9	0	0	0	111.1	G661 P673 I674	G661-D663 PolarHBondContact O-N 3.1Å; D663-P673 WeakPolarHBondContact O-CA 3.37Å; D663-I674 HydrophobicContact CB-CD1 4.25Å; D663-I674 PolarHBondContact O-N 3.31Å
664	S	89.7	Confident	90.1	Very high	30 Å²	30	45.5 Å²	45.5	21%	0.21	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141	-174.7	-47.5	0	0	0	0	112.4	C660 G661 C671 L672	C660-S664 PolarHBondContact N-O 3.19Å; C660-S664 PolarHBondContact SG-O 3.4Å; C660-S664 VanDerWaalsContact SG-O 3.39Å; G661-S664 PolarHBondContact N-O 3.09Å; G661-S664 PolarHBondContact O-N 3.07Å; S664-C671 VanDerWaalsContact CB-SG 3.55Å; S664-L672 CarbonylContact C-O 3.54Å; S664-L672 VanDerWaalsContact CA-O 3.27Å; S664-L672 WeakPolarHBondContact CA-O 3.44Å
665	I	90.9	Very high	89.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145	-167.7	-63.5	-174.8	0	0	0	109.4	R544 F546 G657 T658 C660 L672 I674 F677 F679	R544-I665 HydrophobicContact CG-CD1 3.95Å; R544-I665 HydrophobicContact CG-CG1 4.11Å; F546-I665 HydrophobicContact CE2-CD1 4.25Å; F546-I665 HydrophobicContact CE2-CG2 4.43Å; F546-I665 HydrophobicContact CZ-CD1 4.23Å; F546-I665 HydrophobicContact CZ-CG2 4.28Å; G657-I665 VanDerWaalsContact CA-CG2 3.41Å; T658-I665 WeakPolarHBondContact O-CA 3.32Å; C660-I665 PolarHBondContact SG-N 3.44Å; C660-I665 VanDerWaalsContact SG-N 3.42Å; I665-L672 PolarHBondContact N-O 2.76Å; I665-L672 PolarHBondContact O-N 3.04Å; I665-I674 HydrophobicContact CD1-CD1 4.26Å; I665-I674 HydrophobicContact CD1-CG1 3.73Å; I665-I674 HydrophobicContact CG1-CD1 4.42Å; I665-I674 HydrophobicContact CG1-CG1 3.85Å; I665-F677 HydrophobicContact CB-CE1 4.49Å; I665-F677 HydrophobicContact CB-CE2 3.81Å; I665-F677 HydrophobicContact CB-CZ 3.72Å; I665-F677 HydrophobicContact CG2-CE1 3.99Å; I665-F677 HydrophobicContact CG2-CE2 4.21Å; I665-F677 HydrophobicContact CG2-CZ 3.61Å; I665-F679 HydrophobicContact CD1-CE2 4.34Å; I665-F679 HydrophobicContact CD1-CZ 4.4Å
666	C	92.2	Very high	88.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.6	174.3	-61.3	0	0	0	0	112.4	C603 D656 G657 T658 K670	C603-C666 WeakPolarHBondContact CA-SG 3.19Å; C603-C666 HydrophobicContact CB-CB 3.64Å; C603-C666 WeakPolarHBondContact CB-SG 3.34Å; C603-C666 WeakPolarHBondContact SG-CA 3.21Å; C603-C666 WeakPolarHBondContact SG-CB 3.02Å; C603-C666 CovalentContact SG-SG 2.04Å; C603-C666 PolarHBondContact SG-SG 3.15Å; D656-C666 WeakPolarHBondContact CA-O 3.28Å; G657-C666 PolarHBondContact N-O 3.49Å; T658-C666 PolarHBondContact O-N 3.26Å; C666-K670 WeakPolarHBondContact CA-O 3.14Å
667	L	90.8	Very high	88.2	Confident	59 Å²	59	54.9 Å²	54.9	31%	0.309	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	130.8	167.5	-177.6	66.8	0	0	0	109.5	D656 H669 K670 L672 F677	D656-L667 HydrophobicContact CB-CD1 4.34Å; D656-L667 VanDerWaalsContact OD1-CA 3.25Å; D656-L667 WeakPolarHBondContact OD1-CA 3.23Å; L667-H669 PolarHBondContact O-N 3.42Å; L667-K670 PolarHBondContact N-O 3.39Å; L667-K670 PolarHBondContact O-N 3.25Å; L667-L672 HydrophobicContact CB-CD1 4.24Å; L667-L672 HydrophobicContact CD2-CD1 4.26Å; L667-F677 HydrophobicContact CB-CE1 3.77Å; L667-F677 HydrophobicContact CB-CZ 3.64Å; L667-F677 HydrophobicContact CD1-CE1 4.37Å; L667-F677 HydrophobicContact CD2-CD1 4.45Å; L667-F677 HydrophobicContact CD2-CE1 3.91Å; L667-F677 HydrophobicContact CD2-CZ 4.27Å; L667-F677 HydrophobicContact CG-CE1 4.24Å
668	D	89.4	Confident	88	Confident	115 Å²	115	61.5 Å²	61.5	62%	0.615	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.6	-179.7	-66.2	-35.5	0	0	0	112.2	D656 K670	D656-D668 PolarHBondContact OD1-N 2.9Å; D668-K670 PolarHBondContact O-N 3.03Å
669	H	92.3	Very high	87.5	Confident	56 Å²	56	64 Å²	64	26%	0.259	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	15.9	-175	-45.4	145.2	0	0	0	116.5	C586 C603 Y653 L667	C586-H669 HydrophobicContact CB-CB 4.27Å; C586-H669 PolarHBondContact O-ND1 3.36Å; C586-H669 VanDerWaalsContact O-ND1 3.12Å; C603-H669 WeakPolarHBondContact CB-O 3.09Å; C603-H669 WeakPolarHBondContact O-CA 3.37Å; Y653-H669 AromaticContact CD1-NE2 3.87Å; Y653-H669 AromaticContact CD2-NE2 3.86Å; Y653-H669 AromaticContact CG-CE1 3.99Å; Y653-H669 AromaticContact CG-NE2 3.47Å; L667-H669 PolarHBondContact O-N 3.42Å
670	K	93.3	Very high	87.1	Confident	111 Å²	111	67.1 Å²	67.1	48%	0.483	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.4	179.2	-66.3	165.1	-170	158.4	0	111.9	D600 C666 L667 D668 L672	D600-K670 WeakPolarHBondContact OD1-CA 3.45Å; C666-K670 WeakPolarHBondContact CA-O 3.14Å; L667-K670 PolarHBondContact N-O 3.39Å; L667-K670 PolarHBondContact O-N 3.25Å; D668-K670 PolarHBondContact O-N 3.03Å; K670-L672 HydrophobicContact CB-CD2 4.09Å; K670-L672 HydrophobicContact CB-CG 4.21Å; K670-L672 PolarHBondContact O-N 3.47Å
671	C	93.8	Very high	86.7	Confident	26 Å²	26	71 Å²	71	18%	0.176	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	98	175.8	-174.6	0	0	0	0	110	Q599 D600 C660 S664	Q599-C671 WeakPolarHBondContact O-CB 3.25Å; D600-C671 PolarHBondContact OD1-N 3.49Å; C660-C671 HydrophobicContact CB-CB 3.83Å; C660-C671 WeakPolarHBondContact CB-SG 3.48Å; C660-C671 WeakPolarHBondContact SG-CA 3.45Å; C660-C671 WeakPolarHBondContact SG-CB 3.22Å; C660-C671 CovalentContact SG-SG 2.03Å; C660-C671 PolarHBondContact SG-SG 2.88Å; S664-C671 VanDerWaalsContact CB-SG 3.55Å
672	L	92.3	Very high	86.7	Confident	44 Å²	44	69.7 Å²	69.7	23%	0.23	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	145.1	-175.4	-58.6	-176.3	0	0	0	111.5	S664 I665 L667 K670 F677	S664-L672 CarbonylContact C-O 3.54Å; S664-L672 VanDerWaalsContact CA-O 3.27Å; S664-L672 WeakPolarHBondContact CA-O 3.44Å; I665-L672 PolarHBondContact N-O 2.76Å; I665-L672 PolarHBondContact O-N 3.04Å; L667-L672 HydrophobicContact CB-CD1 4.24Å; L667-L672 HydrophobicContact CD2-CD1 4.26Å; K670-L672 HydrophobicContact CB-CD2 4.09Å; K670-L672 HydrophobicContact CB-CG 4.21Å; K670-L672 PolarHBondContact O-N 3.47Å; L672-F677 HydrophobicContact CB-CE2 3.9Å; L672-F677 HydrophobicContact CB-CZ 4.41Å
673	P	90.4	Very high	86.7	Confident	50 Å²	50	67.1 Å²	67.1	33%	0.325	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	145.5	174.9	29	-33.8	0	0	0	111.2	D663 E675 Q676	D663-P673 WeakPolarHBondContact O-CA 3.37Å; P673-E675 PolarHBondContact O-N 3.1Å; P673-E675 VanDerWaalsContact O-N 3.09Å; P673-Q676 HydrophobicContact CG-CG 4.06Å; P673-Q676 PolarHBondContact O-N 2.89Å
674	I	83.9	Confident	86.3	Confident	39 Å²	39	63.6 Å²	63.6	20%	0.2	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-53.3	-35.3	-174.4	-71.3	168.8	0	0	0	113.1	R544 D663 I665 Q676 F677 F679	R544-I674 VanDerWaalsContact CZ-CD1 3.48Å; D663-I674 HydrophobicContact CB-CD1 4.25Å; D663-I674 PolarHBondContact O-N 3.31Å; I665-I674 HydrophobicContact CD1-CD1 4.26Å; I665-I674 HydrophobicContact CD1-CG1 3.73Å; I665-I674 HydrophobicContact CG1-CD1 4.42Å; I665-I674 HydrophobicContact CG1-CG1 3.85Å; I674-Q676 PolarHBondContact O-N 3.28Å; I674-Q676 VanDerWaalsContact O-N 3.1Å; I674-F677 PolarHBondContact O-N 3.48Å; I674-F677 VanDerWaalsContact O-N 3.07Å; I674-F679 HydrophobicContact CG2-CD2 3.93Å; I674-F679 HydrophobicContact CG2-CE2 3.97Å
675	E	80.9	Confident	85.9	Confident	176 Å²	176	64 Å²	64	82%	0.822	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-55.1	-28.1	178.6	-62	176.5	-178.1	0	0	113.5	P673	P673-E675 PolarHBondContact O-N 3.1Å; P673-E675 VanDerWaalsContact O-N 3.09Å
676	Q	80.5	Confident	85.3	Confident	113 Å²	113	67.9 Å²	67.9	53%	0.528	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-78.1	-18	-179.2	-67.8	179.9	13	0	0	113.9	P673 I674 N678	P673-Q676 HydrophobicContact CG-CG 4.06Å; P673-Q676 PolarHBondContact O-N 2.89Å; I674-Q676 PolarHBondContact O-N 3.28Å; I674-Q676 VanDerWaalsContact O-N 3.1Å; Q676-N678 VanDerWaalsContact C-N 3.25Å; Q676-N678 PolarHBondContact O-N 2.95Å; Q676-N678 PolarHBondContact O-ND2 2.71Å
677	F	76.5	Confident	84.2	Confident	45 Å²	45	76.3 Å²	76.3	20%	0.197	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-78.9	-8	-178.6	-71.8	-102.5	0	0	0	113.1	I665 L667 L672 I674 F679	I665-F677 HydrophobicContact CB-CE1 4.49Å; I665-F677 HydrophobicContact CB-CE2 3.81Å; I665-F677 HydrophobicContact CB-CZ 3.72Å; I665-F677 HydrophobicContact CG2-CE1 3.99Å; I665-F677 HydrophobicContact CG2-CE2 4.21Å; I665-F677 HydrophobicContact CG2-CZ 3.61Å; L667-F677 HydrophobicContact CB-CE1 3.77Å; L667-F677 HydrophobicContact CB-CZ 3.64Å; L667-F677 HydrophobicContact CD1-CE1 4.37Å; L667-F677 HydrophobicContact CD2-CD1 4.45Å; L667-F677 HydrophobicContact CD2-CE1 3.91Å; L667-F677 HydrophobicContact CD2-CZ 4.27Å; L667-F677 HydrophobicContact CG-CE1 4.24Å; L672-F677 HydrophobicContact CB-CE2 3.9Å; L672-F677 HydrophobicContact CB-CZ 4.41Å; I674-F677 PolarHBondContact O-N 3.48Å; I674-F677 VanDerWaalsContact O-N 3.07Å; F677-F679 VanDerWaalsContact C-N 3.27Å; F677-F679 HydrophobicContact CB-CD2 3.81Å; F677-F679 HydrophobicContact CB-CE1 4.36Å; F677-F679 HydrophobicContact CB-CE2 3.39Å; F677-F679 HydrophobicContact CB-CG 4.45Å; F677-F679 HydrophobicContact CB-CZ 3.7Å; F677-F679 HydrophobicContact CD1-CZ 4.22Å; F677-F679 AromaticContact CG-CE2 3.96Å; F677-F679 HydrophobicContact CG-CE2 3.96Å; F677-F679 HydrophobicContact CG-CZ 4.07Å; F677-F679 PolarHBondContact O-N 3.27Å
678	N	81.9	Confident	83.4	Confident	142 Å²	142	82.8 Å²	82.8	76%	0.759	44%	0.442	S	S	*	.			trans	50.1	43.1	178.8	-62	-69.8	0	0	0	113.5	Q676 S680	Q676-N678 VanDerWaalsContact C-N 3.25Å; Q676-N678 PolarHBondContact O-N 2.95Å; Q676-N678 PolarHBondContact O-ND2 2.71Å; N678-S680 PolarHBondContact O-N 3.07Å
679	F	81.3	Confident	83.2	Confident	55 Å²	55	79.8 Å²	79.8	24%	0.241	43%	0.427	C	S	.	.			trans	-56.6	130	176.1	-67.6	-68.2	0	0	0	111	M533 D534 F546 I665 I674 F677	M533-F679 HydrophobicContact CE-CB 3.99Å; D534-F679 HydrophobicContact CB-CD1 4.25Å; D534-F679 HydrophobicContact CB-CE1 3.84Å; F546-F679 HydrophobicContact CE1-CE1 4.12Å; F546-F679 HydrophobicContact CE1-CZ 4.16Å; F546-F679 HydrophobicContact CZ-CE1 4.29Å; F546-F679 AromaticContact CZ-CZ 3.88Å; F546-F679 HydrophobicContact CZ-CZ 3.88Å; I665-F679 HydrophobicContact CD1-CE2 4.34Å; I665-F679 HydrophobicContact CD1-CZ 4.4Å; I674-F679 HydrophobicContact CG2-CD2 3.93Å; I674-F679 HydrophobicContact CG2-CE2 3.97Å; F677-F679 VanDerWaalsContact C-N 3.27Å; F677-F679 HydrophobicContact CB-CD2 3.81Å; F677-F679 HydrophobicContact CB-CE1 4.36Å; F677-F679 HydrophobicContact CB-CE2 3.39Å; F677-F679 HydrophobicContact CB-CG 4.45Å; F677-F679 HydrophobicContact CB-CZ 3.7Å; F677-F679 HydrophobicContact CD1-CZ 4.22Å; F677-F679 AromaticContact CG-CE2 3.96Å; F677-F679 HydrophobicContact CG-CE2 3.96Å; F677-F679 HydrophobicContact CG-CZ 4.07Å; F677-F679 PolarHBondContact O-N 3.27Å
680	S	83.8	Confident	82.9	Confident	74 Å²	74	80.2 Å²	80.2	52%	0.517	43%	0.431	S	S	.	.			trans	-62.6	134.5	173.5	-63.3	0	0	0	0	110.5	M533 N678	M533-S680 WeakPolarHBondContact CE-O 3.06Å; N678-S680 PolarHBondContact O-N 3.07Å
681	T	83	Confident	82.7	Confident	99 Å²	99	74.9 Å²	74.9	61%	0.607	41%	0.408	S	S	*	.			trans	-105.3	143.6	-176.3	48.5	0	0	0	0	112.2	T685	T681-T685 HydrophobicContact CG2-CG2 4.08Å
682	C	86.2	Confident	82.4	Confident	5 Å²	5	75 Å²	75	3%	0.034	41%	0.409	C	S	.	.			trans	-70.7	158.9	173.1	-84.2	0	0	0	0	112.6	T685 C697 R702 C703	C682-T685 WeakPolarHBondContact O-CB 3.23Å; C682-T685 PolarHBondContact O-N 2.89Å; C682-T685 PolarHBondContact O-OG1 3.49Å; C682-C697 HydrophobicContact CB-CB 3.75Å; C682-C697 WeakPolarHBondContact CB-SG 3.38Å; C682-C697 WeakPolarHBondContact SG-CA 3.36Å; C682-C697 WeakPolarHBondContact SG-CB 3.23Å; C682-C697 CovalentContact SG-SG 2.02Å; C682-C697 PolarHBondContact SG-SG 3.21Å; C682-R702 PolarHBondContact SG-N 2.03Å; C682-R702 PolarHBondContact SG-O 3.34Å; C682-C703 VanDerWaalsContact CB-SG 3.51Å
683	P	83.1	Confident	82.2	Confident	65 Å²	65	74.9 Å²	74.9	42%	0.422	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	147.1	168.3	-23.1	33.6	0	0	0	112.6	T685 C703 D713	P683-T685 PolarHBondContact O-N 3.44Å; P683-T685 VanDerWaalsContact O-N 3.15Å; P683-C703 PolarHBondContact O-SG 3.42Å; P683-D713 HydrophobicContact CB-CB 4.15Å
684	G	76.8	Confident	82.1	Confident	31 Å²	31	75.2 Å²	75.2	32%	0.32	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	6.4	-177	0	0	0	0	0	115.3	S692	G684-S692 PolarHBondContact O-N 2.73Å
685	T	79.7	Confident	82.4	Confident	40 Å²	40	73.9 Å²	73.9	25%	0.245	41%	0.411	C	S	.	.			trans	-80.1	131	174.3	-55.3	0	0	0	0	110.7	T681 C682 P683 T689 I690	T681-T685 HydrophobicContact CG2-CG2 4.08Å; C682-T685 WeakPolarHBondContact O-CB 3.23Å; C682-T685 PolarHBondContact O-N 2.89Å; C682-T685 PolarHBondContact O-OG1 3.49Å; P683-T685 PolarHBondContact O-N 3.44Å; P683-T685 VanDerWaalsContact O-N 3.15Å; T685-T689 CarbonylContact C-O 3.4Å; T685-T689 VanDerWaalsContact CA-O 3.3Å; T685-T689 WeakPolarHBondContact CA-O 3.42Å; T685-I690 HydrophobicContact CG2-CB 4.5Å; T685-I690 HydrophobicContact CG2-CG1 4.26Å; T685-I690 HydrophobicContact CG2-CG2 4.46Å
686	T	78.8	Confident	82.9	Confident	81 Å²	81	67.5 Å²	67.5	50%	0.497	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-129.8	168.1	170.6	75.5	0	0	0	0	109.1	K688 T689	T686-K688 PolarHBondContact O-N 3.1Å; T686-T689 PolarHBondContact N-O 3.31Å; T686-T689 PolarHBondContact O-N 2.98Å; T686-T689 PolarHBondContact OG1-OG1 3.18Å
687	D	69.7	Low	83.4	Confident	176 Å²	176	62.1 Å²	62.1	94%	0.941	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-12.4	-180	-44.1	-17.5	0	0	0	115.5
688	K	74.1	Confident	84.1	Confident	196 Å²	196	60.1 Å²	60.1	85%	0.852	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-11	-178.8	-61.7	-176.3	-178.4	179.2	0	114.9	T686	T686-K688 PolarHBondContact O-N 3.1Å
689	T	84.4	Confident	84.4	Confident	52 Å²	52	56.3 Å²	56.3	32%	0.319	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-148	122.8	-171.3	59.2	0	0	0	0	110.5	T685 T686	T685-T689 CarbonylContact C-O 3.4Å; T685-T689 VanDerWaalsContact CA-O 3.3Å; T685-T689 WeakPolarHBondContact CA-O 3.42Å; T686-T689 PolarHBondContact N-O 3.31Å; T686-T689 PolarHBondContact O-N 2.98Å; T686-T689 PolarHBondContact OG1-OG1 3.18Å
690	I	85.9	Confident	84.7	Confident	64 Å²	64	58.4 Å²	58.4	33%	0.328	34%	0.34	S	S	.	.	S	Bend	trans	-88.4	138.3	169.9	-53.1	172	0	0	0	108.1	Y536 T685 S692 G693 C697	Y536-I690 HydrophobicContact CE1-CD1 4.43Å; Y536-I690 HydrophobicContact CE2-CD1 4.05Å; Y536-I690 WeakPolarHBondContact OH-CD1 3.46Å; Y536-I690 WeakPolarHBondContact OH-CG2 3.04Å; T685-I690 HydrophobicContact CG2-CB 4.5Å; T685-I690 HydrophobicContact CG2-CG1 4.26Å; T685-I690 HydrophobicContact CG2-CG2 4.46Å; I690-S692 PolarHBondContact O-N 3.02Å; I690-G693 WeakPolarHBondContact O-CA 3.03Å; I690-G693 PolarHBondContact O-N 3.35Å; I690-C697 HydrophobicContact CG2-CB 3.77Å
691	C	89.5	Confident	84.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	48.4	54.3	178.2	-63.2	0	0	0	0	113.3	G693 H694 C703 D713 C714	C691-G693 PolarHBondContact O-N 2.89Å; C691-H694 PolarHBondContact O-N 3.43Å; C691-C703 VanDerWaalsContact CA-SG 3.55Å; C691-C703 HydrophobicContact CB-CB 3.69Å; C691-C703 WeakPolarHBondContact CB-SG 3.25Å; C691-C703 WeakPolarHBondContact SG-CA 3.34Å; C691-C703 WeakPolarHBondContact SG-CB 3.32Å; C691-C703 CovalentContact SG-SG 2.03Å; C691-C703 PolarHBondContact SG-SG 3.47Å; C691-D713 CarbonylContact C-O 3.42Å; C691-C714 HydrophobicContact CB-CB 4.48Å
692	S	87.4	Confident	85.2	Confident	29 Å²	29	61.2 Å²	61.2	20%	0.203	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	56.6	10.8	-175.4	-54.4	0	0	0	0	116.1	G684 I690 D713	G684-S692 PolarHBondContact O-N 2.73Å; I690-S692 PolarHBondContact O-N 3.02Å; S692-D713 VanDerWaalsContact CB-O 3.27Å; S692-D713 WeakPolarHBondContact CB-O 3.5Å; S692-D713 PolarHBondContact N-O 3.43Å; S692-D713 PolarHBondContact OG-O 2.03Å
693	G	87.7	Confident	85.3	Confident	40 Å²	40	61.9 Å²	61.9	41%	0.412	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	81.2	12.6	-173.3	0	0	0	0	0	114.1	I690 C691	I690-G693 WeakPolarHBondContact O-CA 3.03Å; I690-G693 PolarHBondContact O-N 3.35Å; C691-G693 PolarHBondContact O-N 2.89Å
694	H	88.9	Confident	85.6	Confident	58 Å²	58	61.3 Å²	61.3	27%	0.269	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	23.3	-171.7	-63.7	-38.3	0	0	0	113.1	C691 E706 W709 C714	C691-H694 PolarHBondContact O-N 3.43Å; H694-E706 PolarHBondContact O-N 2.85Å; H694-W709 HydrophobicContact CB-CB 4.19Å; H694-W709 HydrophobicContact CB-CD2 3.73Å; H694-W709 HydrophobicContact CB-CE3 4.31Å; H694-W709 HydrophobicContact CB-CG 3.64Å; H694-W709 AromaticContact CD2-CD2 3.67Å; H694-W709 AromaticContact CD2-CE2 3.45Å; H694-W709 VanDerWaalsContact CD2-CE2 3.45Å; H694-W709 AromaticContact CD2-CE3 3.71Å; H694-W709 AromaticContact CD2-CH2 3.38Å; H694-W709 WeakPolarHBondContact CD2-CH2 3.02Å; H694-W709 AromaticContact CD2-CZ2 3.33Å; H694-W709 WeakPolarHBondContact CD2-CZ2 3.46Å; H694-W709 AromaticContact CD2-CZ3 3.56Å; H694-W709 AromaticContact CE1-CE2 3.95Å; H694-W709 AromaticContact CE1-CZ2 3.59Å; H694-W709 AromaticContact CG-CD2 3.65Å; H694-W709 AromaticContact CG-CE2 3.4Å; H694-W709 AromaticContact CG-CZ2 3.72Å; H694-W709 AromaticContact CG-NE1 3.6Å; H694-W709 AromaticContact ND1-CE2 3.71Å; H694-W709 AromaticContact ND1-CZ2 3.85Å; H694-W709 AromaticContact ND1-NE1 3.66Å; H694-W709 AromaticContact NE2-CE2 3.81Å; H694-W709 AromaticContact NE2-CH2 3.36Å; H694-W709 WeakPolarHBondContact NE2-CH2 3.36Å; H694-W709 AromaticContact NE2-CZ2 3.24Å; H694-W709 WeakPolarHBondContact NE2-CZ2 3.32Å; H694-C714 HydrophobicContact CB-CB 4.2Å
695	G	89.4	Confident	86.2	Confident	11 Å²	11	61.4 Å²	61.4	11%	0.113	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	174.6	176.9	0	0	0	0	0	112.9	V704	G695-V704 CarbonylContact C-O 3.57Å; G695-V704 WeakPolarHBondContact CA-O 3.19Å
696	V	91.4	Very high	86.4	Confident	42 Å²	42	64.8 Å²	64.8	26%	0.255	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.8	177.9	179	0	0	0	0	108.6	I515 K532 Y536 V704	I515-V696 HydrophobicContact CD1-CG1 4.03Å; I515-V696 HydrophobicContact CG1-CG1 4.4Å; K532-V696 HydrophobicContact CD-CG1 4.15Å; K532-V696 HydrophobicContact CG-CG1 3.78Å; Y536-V696 HydrophobicContact CE1-CG1 3.9Å; V696-V704 PolarHBondContact N-O 2.86Å; V696-V704 PolarHBondContact O-N 2.9Å
697	C	91.6	Very high	86.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.9	177.3	-173.4	0	0	0	0	110.2	M533 Y536 C682 I690	M533-C697 HydrophobicContact CG-CB 3.97Å; M533-C697 PolarHBondContact N-O 2.87Å; M533-C697 HydrophobicContact SD-CB 3.63Å; M533-C697 PolarHBondContact SD-SG 2.85Å; Y536-C697 HydrophobicContact CE2-CB 4.46Å; Y536-C697 PolarHBondContact OH-N 3.13Å; C682-C697 HydrophobicContact CB-CB 3.75Å; C682-C697 WeakPolarHBondContact CB-SG 3.38Å; C682-C697 WeakPolarHBondContact SG-CA 3.36Å; C682-C697 WeakPolarHBondContact SG-CB 3.23Å; C682-C697 CovalentContact SG-SG 2.02Å; C682-C697 PolarHBondContact SG-SG 3.21Å; I690-C697 HydrophobicContact CG2-CB 3.77Å
698	S	91.6	Very high	86.9	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.014	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-82.4	166	176.7	71.9	0	0	0	0	112.5	H531 E700 L701 R702	H531-S698 CarbonylContact O-C 3.5Å; H531-S698 WeakPolarHBondContact O-CA 3.4Å; S698-E700 PolarHBondContact O-N 2.78Å; S698-E700 PolarHBondContact OG-N 3.01Å; S698-L701 PolarHBondContact O-N 3.21Å; S698-R702 PolarHBondContact N-O 2.94Å; S698-R702 PolarHBondContact OG-N 2.84Å; S698-R702 PolarHBondContact OG-O 3.04Å
699	N	88.6	Confident	87.4	Confident	62 Å²	62	52.7 Å²	52.7	33%	0.332	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.9	169.9	65.8	-36.6	0	0	0	114.3	H531 L701	H531-N699 WeakPolarHBondContact CE1-CB 3.48Å; H531-N699 PolarHBondContact NE2-ND2 3.23Å; H531-N699 PolarHBondContact O-N 3.44Å; H531-N699 PolarHBondContact O-OD1 3.36Å; N699-L701 PolarHBondContact O-N 2.92Å
700	E	87.3	Confident	87.3	Confident	99 Å²	99	53.4 Å²	53.4	46%	0.463	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	4.7	172.4	-62	-160.5	131.9	0	0	114.4	V530 S698 R702	V530-E700 HydrophobicContact CG1-CG 4.39Å; S698-E700 PolarHBondContact O-N 2.78Å; S698-E700 PolarHBondContact OG-N 3.01Å; E700-R702 VanDerWaalsContact C-N 3.28Å; E700-R702 HydrophobicContact CB-CG 4.36Å; E700-R702 PolarHBondContact O-N 2.86Å; E700-R702 IonicContact OE1-NH1 2.66Å; E700-R702 WeakPolarHBondContact OE2-CD 3.03Å; E700-R702 IonicContact OE2-CZ 3.54Å; E700-R702 IonicContact OE2-NE 2.98Å; E700-R702 IonicContact OE2-NH1 3.92Å; E700-R702 PolarHBondContact OE2-NH1 2.72Å
701	L	87.6	Confident	87.2	Confident	74 Å²	74	51.9 Å²	51.9	39%	0.387	29%	0.286	S	S	.	.	S	Bend	trans	59.9	35.6	-173.5	-51.6	176	0	0	0	113.2	S698 N699	S698-L701 PolarHBondContact O-N 3.21Å; N699-L701 PolarHBondContact O-N 2.92Å
702	R	89.1	Confident	87	Confident	158 Å²	158	58.6 Å²	58.6	60%	0.596	32%	0.322	S	S	*	.			trans	-114.4	144.6	175.8	-69.9	172.1	167	162	-7.7	110.8	C682 S698 E700	C682-R702 PolarHBondContact SG-N 2.03Å; C682-R702 PolarHBondContact SG-O 3.34Å; S698-R702 PolarHBondContact N-O 2.94Å; S698-R702 PolarHBondContact OG-N 2.84Å; S698-R702 PolarHBondContact OG-O 3.04Å; E700-R702 VanDerWaalsContact C-N 3.28Å; E700-R702 HydrophobicContact CB-CG 4.36Å; E700-R702 PolarHBondContact O-N 2.86Å; E700-R702 IonicContact OE1-NH1 2.66Å; E700-R702 WeakPolarHBondContact OE2-CD 3.03Å; E700-R702 IonicContact OE2-CZ 3.54Å; E700-R702 IonicContact OE2-NE 2.98Å; E700-R702 IonicContact OE2-NH1 3.92Å; E700-R702 PolarHBondContact OE2-NH1 2.72Å
703	C	89.9	Confident	87	Confident	19 Å²	19	59.7 Å²	59.7	13%	0.128	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.8	174.6	-72	0	0	0	0	111.7	C682 P683 C691 C705 D712 C714	C682-C703 VanDerWaalsContact CB-SG 3.51Å; P683-C703 PolarHBondContact O-SG 3.42Å; C691-C703 VanDerWaalsContact CA-SG 3.55Å; C691-C703 HydrophobicContact CB-CB 3.69Å; C691-C703 WeakPolarHBondContact CB-SG 3.25Å; C691-C703 WeakPolarHBondContact SG-CA 3.34Å; C691-C703 WeakPolarHBondContact SG-CB 3.32Å; C691-C703 CovalentContact SG-SG 2.03Å; C691-C703 PolarHBondContact SG-SG 3.47Å; C703-C705 PolarHBondContact O-N 3.19Å; C703-D712 WeakPolarHBondContact CB-O 3.39Å; C703-C714 VanDerWaalsContact CB-SG 3.5Å
704	V	89.2	Confident	87	Confident	54 Å²	54	57.8 Å²	57.8	33%	0.327	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	102.5	168.5	-175.6	0	0	0	0	108.2	I515 G695 V696	I515-V704 HydrophobicContact CD1-CG2 4.09Å; I515-V704 HydrophobicContact CG2-CB 4.35Å; I515-V704 HydrophobicContact CG2-CG1 3.97Å; I515-V704 HydrophobicContact CG2-CG2 4.36Å; G695-V704 CarbonylContact C-O 3.57Å; G695-V704 WeakPolarHBondContact CA-O 3.19Å; V696-V704 PolarHBondContact N-O 2.86Å; V696-V704 PolarHBondContact O-N 2.9Å
705	C	87.9	Confident	86.9	Confident	33 Å²	33	63 Å²	63	22%	0.223	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	149.8	-173.5	-53.5	0	0	0	0	114	C703 W709 G711 C714	C703-C705 PolarHBondContact O-N 3.19Å; C705-W709 HydrophobicContact CB-CB 4.05Å; C705-G711 PolarHBondContact SG-O 2.86Å; C705-C714 WeakPolarHBondContact CA-SG 3.29Å; C705-C714 HydrophobicContact CB-CB 3.86Å; C705-C714 WeakPolarHBondContact CB-SG 3.19Å; C705-C714 WeakPolarHBondContact SG-CA 3.37Å; C705-C714 WeakPolarHBondContact SG-CB 3.37Å; C705-C714 CovalentContact SG-SG 2.04Å; C705-C714 PolarHBondContact SG-SG 3.39Å
706	E	85.4	Confident	86.7	Confident	111 Å²	111	65.4 Å²	65.4	52%	0.519	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-68.8	161.1	169.8	-67.4	-172.6	161.2	0	0	112.2	H694 G708 W709	H694-E706 PolarHBondContact O-N 2.85Å; E706-G708 PolarHBondContact O-N 2.82Å; E706-G708 VanDerWaalsContact O-N 3.09Å; E706-W709 PolarHBondContact O-N 3.02Å
707	L	79.9	Confident	86.2	Confident	111 Å²	111	72.2 Å²	72.2	58%	0.581	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	116.8	-178.7	-73.3	172.1	0	0	0	111.3
708	G	78.1	Confident	85.1	Confident	17 Å²	17	73.3 Å²	73.3	18%	0.175	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	101	-0.2	-177.9	0	0	0	0	0	114.8	E706 R717 S718	E706-G708 PolarHBondContact O-N 2.82Å; E706-G708 VanDerWaalsContact O-N 3.09Å; G708-R717 CarbonylContact O-C 3.59Å; G708-R717 WeakPolarHBondContact O-CA 3.48Å; G708-R717 VanDerWaalsContact O-CG 3.27Å; G708-R717 WeakPolarHBondContact O-CG 3.21Å; G708-S718 PolarHBondContact O-N 2.62Å
709	W	85.6	Confident	83.6	Confident	71 Å²	71	78.1 Å²	78.1	27%	0.269	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	157.6	171.6	-61.1	97	0	0	0	111.4	H694 C705 E706 C714 Y715 S716	H694-W709 HydrophobicContact CB-CB 4.19Å; H694-W709 HydrophobicContact CB-CD2 3.73Å; H694-W709 HydrophobicContact CB-CE3 4.31Å; H694-W709 HydrophobicContact CB-CG 3.64Å; H694-W709 AromaticContact CD2-CD2 3.67Å; H694-W709 AromaticContact CD2-CE2 3.45Å; H694-W709 VanDerWaalsContact CD2-CE2 3.45Å; H694-W709 AromaticContact CD2-CE3 3.71Å; H694-W709 AromaticContact CD2-CH2 3.38Å; H694-W709 WeakPolarHBondContact CD2-CH2 3.02Å; H694-W709 AromaticContact CD2-CZ2 3.33Å; H694-W709 WeakPolarHBondContact CD2-CZ2 3.46Å; H694-W709 AromaticContact CD2-CZ3 3.56Å; H694-W709 AromaticContact CE1-CE2 3.95Å; H694-W709 AromaticContact CE1-CZ2 3.59Å; H694-W709 AromaticContact CG-CD2 3.65Å; H694-W709 AromaticContact CG-CE2 3.4Å; H694-W709 AromaticContact CG-CZ2 3.72Å; H694-W709 AromaticContact CG-NE1 3.6Å; H694-W709 AromaticContact ND1-CE2 3.71Å; H694-W709 AromaticContact ND1-CZ2 3.85Å; H694-W709 AromaticContact ND1-NE1 3.66Å; H694-W709 AromaticContact NE2-CE2 3.81Å; H694-W709 AromaticContact NE2-CH2 3.36Å; H694-W709 WeakPolarHBondContact NE2-CH2 3.36Å; H694-W709 AromaticContact NE2-CZ2 3.24Å; H694-W709 WeakPolarHBondContact NE2-CZ2 3.32Å; C705-W709 HydrophobicContact CB-CB 4.05Å; E706-W709 PolarHBondContact O-N 3.02Å; W709-C714 HydrophobicContact CB-CB 4.42Å; W709-C714 VanDerWaalsContact CE3-O 3.31Å; W709-Y715 WeakPolarHBondContact CZ3-O 3.46Å; W709-S716 CarbonylContact C-O 3.49Å; W709-S716 WeakPolarHBondContact CA-O 3.42Å
710	T	82.2	Confident	82.1	Confident	66 Å²	66	81.2 Å²	81.2	41%	0.405	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	173.8	-175.2	-164.5	0	0	0	0	111	S716	T710-S716 PolarHBondContact N-O 2.98Å; T710-S716 WeakPolarHBondContact O-CB 3.07Å; T710-S716 PolarHBondContact O-N 2.92Å; T710-S716 VanDerWaalsContact O-N 3.16Å; T710-S716 VanDerWaalsContact O-O 3.09Å
711	G	83.6	Confident	80.1	Confident	33 Å²	33	77.8 Å²	77.8	34%	0.34	40%	0.397	S	S	.	.	S	Bend	trans	86.8	158.5	-168.9	0	0	0	0	0	112.4	C705 D713 C714	C705-G711 PolarHBondContact SG-O 2.86Å; G711-D713 PolarHBondContact O-N 2.93Å; G711-D713 VanDerWaalsContact O-N 3.11Å; G711-C714 PolarHBondContact O-N 2.04Å
712	D	85.4	Confident	78.1	Confident	140 Å²	140	80.8 Å²	80.8	75%	0.749	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.4	-172.8	-56.7	-37.3	0	0	0	113.9	C703	C703-D712 WeakPolarHBondContact CB-O 3.39Å
713	D	86.2	Confident	76.1	Confident	52 Å²	52	79.5 Å²	79.5	28%	0.278	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	1.3	179.1	65.5	-5.3	0	0	0	113.5	P683 C691 S692 G711 Y715	P683-D713 HydrophobicContact CB-CB 4.15Å; C691-D713 CarbonylContact C-O 3.42Å; S692-D713 VanDerWaalsContact CB-O 3.27Å; S692-D713 WeakPolarHBondContact CB-O 3.5Å; S692-D713 PolarHBondContact N-O 3.43Å; S692-D713 PolarHBondContact OG-O 2.03Å; G711-D713 PolarHBondContact O-N 2.93Å; G711-D713 VanDerWaalsContact O-N 3.11Å; D713-Y715 PolarHBondContact O-N 2.97Å; D713-Y715 VanDerWaalsContact O-N 3.16Å; D713-Y715 VanDerWaalsContact OD1-CB 3.3Å; D713-Y715 WeakPolarHBondContact OD1-CB 3.17Å; D713-Y715 PolarHBondContact OD1-N 3.25Å; D713-Y715 WeakPolarHBondContact OD2-CB 3.39Å
714	C	88.6	Confident	74	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	44%	0.436	C	S	.	.	S	Bend	trans	53.1	21.2	-170.2	-53.5	0	0	0	0	115.9	C691 H694 C703 C705 W709 G711	C691-C714 HydrophobicContact CB-CB 4.48Å; H694-C714 HydrophobicContact CB-CB 4.2Å; C703-C714 VanDerWaalsContact CB-SG 3.5Å; C705-C714 WeakPolarHBondContact CA-SG 3.29Å; C705-C714 HydrophobicContact CB-CB 3.86Å; C705-C714 WeakPolarHBondContact CB-SG 3.19Å; C705-C714 WeakPolarHBondContact SG-CA 3.37Å; C705-C714 WeakPolarHBondContact SG-CB 3.37Å; C705-C714 CovalentContact SG-SG 2.04Å; C705-C714 PolarHBondContact SG-SG 3.39Å; W709-C714 HydrophobicContact CB-CB 4.42Å; W709-C714 VanDerWaalsContact CE3-O 3.31Å; G711-C714 PolarHBondContact O-N 2.04Å
715	Y	87.1	Confident	71.6	Confident	169 Å²	169	84.9 Å²	84.9	66%	0.663	45%	0.45	S	S	*	.			trans	-77	-27.2	178.4	-178.4	-102.1	0	0	0	113.1	W709 D713	W709-Y715 WeakPolarHBondContact CZ3-O 3.46Å; D713-Y715 PolarHBondContact O-N 2.97Å; D713-Y715 VanDerWaalsContact O-N 3.16Å; D713-Y715 VanDerWaalsContact OD1-CB 3.3Å; D713-Y715 WeakPolarHBondContact OD1-CB 3.17Å; D713-Y715 PolarHBondContact OD1-N 3.25Å; D713-Y715 WeakPolarHBondContact OD2-CB 3.39Å
716	S	85.6	Confident	69.1	Low	60 Å²	60	85.2 Å²	85.2	42%	0.42	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137	-175.2	-65.8	0	0	0	0	111.6	W709 T710	W709-S716 CarbonylContact C-O 3.49Å; W709-S716 WeakPolarHBondContact CA-O 3.42Å; T710-S716 PolarHBondContact N-O 2.98Å; T710-S716 WeakPolarHBondContact O-CB 3.07Å; T710-S716 PolarHBondContact O-N 2.92Å; T710-S716 VanDerWaalsContact O-N 3.16Å; T710-S716 VanDerWaalsContact O-O 3.09Å
717	R	79.6	Confident	66.8	Low	185 Å²	185	85.4 Å²	85.4	70%	0.698	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	125	175.6	-158.1	174.6	-171.9	157.4	4.8	110.2	G708	G708-R717 CarbonylContact O-C 3.59Å; G708-R717 WeakPolarHBondContact O-CA 3.48Å; G708-R717 VanDerWaalsContact O-CG 3.27Å; G708-R717 WeakPolarHBondContact O-CG 3.21Å
718	S	69.4	Low	64.8	Low	23 Å²	23	86 Å²	86	16%	0.161	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-66.3	128.2	-180	178.6	0	0	0	0	110.9	G708 F720 S721	G708-S718 PolarHBondContact O-N 2.62Å; S718-F720 PolarHBondContact O-N 2.85Å; S718-F720 VanDerWaalsContact O-N 3.1Å; S718-F720 PolarHBondContact OG-N 2.93Å; S718-S721 WeakPolarHBondContact O-CB 3.1Å; S718-S721 PolarHBondContact O-N 3.35Å; S718-S721 PolarHBondContact O-OG 2.69Å
719	P	60.1	Low	62.6	Low	104 Å²	104	88.3 Å²	88.3	68%	0.675	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.4	178.7	25.6	-33.8	0	0	0	112.9	S721	P719-S721 VanDerWaalsContact C-N 3.28Å; P719-S721 PolarHBondContact O-N 2.65Å
720	F	57.3	Low	60.3	Low	126 Å²	126	90 Å²	90	55%	0.553	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.8	176.6	-66.4	-82.8	0	0	0	114.2	S718 N722 L723 V724	S718-F720 PolarHBondContact O-N 2.85Å; S718-F720 VanDerWaalsContact O-N 3.1Å; S718-F720 PolarHBondContact OG-N 2.93Å; F720-N722 PolarHBondContact O-N 3.1Å; F720-L723 HydrophobicContact CD1-CD1 3.82Å; F720-L723 HydrophobicContact CE1-CD1 4.3Å; F720-L723 PolarHBondContact O-N 3.42Å; F720-V724 PolarHBondContact O-N 3.06Å
721	S	45.3	Very low	58.4	Low	27 Å²	27	91.5 Å²	91.5	19%	0.189	52%	0.524	C	S	.	.	H	α-helix	trans	-59.5	-20.7	177.3	63.6	0	0	0	0	113.6	S718 P719	S718-S721 WeakPolarHBondContact O-CB 3.1Å; S718-S721 PolarHBondContact O-N 3.35Å; S718-S721 PolarHBondContact O-OG 2.69Å; P719-S721 VanDerWaalsContact C-N 3.28Å; P719-S721 PolarHBondContact O-N 2.65Å
722	N	43.9	Very low	56.6	Low	138 Å²	138	94 Å²	94	74%	0.738	54%	0.536	S	S	*	.	H	α-helix	trans	-84.2	-10.3	175	-63.1	-30.2	0	0	0	114.2	F720	F720-N722 PolarHBondContact O-N 3.1Å
723	L	49	Very low	54.9	Low	130 Å²	130	89.4 Å²	89.4	68%	0.681	52%	0.523	S	S	*	.	H	α-helix	trans	-103.2	-28.5	-178.9	-83.8	158.8	0	0	0	112.9	F720 V725 G726	F720-L723 HydrophobicContact CD1-CD1 3.82Å; F720-L723 HydrophobicContact CE1-CD1 4.3Å; F720-L723 PolarHBondContact O-N 3.42Å; L723-V725 VanDerWaalsContact C-N 3.31Å; L723-G726 PolarHBondContact O-N 2.8Å
724	V	44.9	Very low	53.2	Low	85 Å²	85	92.2 Å²	92.2	52%	0.515	54%	0.537	S	S	.	.	H	α-helix	trans	-74.5	-23.9	174.3	-176.8	0	0	0	0	111.5	F720 G726	F720-V724 PolarHBondContact O-N 3.06Å; V724-G726 PolarHBondContact O-N 3.09Å
725	V	39.7	Very low	51.3	Low	102 Å²	102	96.5 Å²	96.5	62%	0.618	56%	0.563	S	S	*	*			trans	-78.9	65.2	160.1	-167.6	0	0	0	0	109.4	L723	L723-V725 VanDerWaalsContact C-N 3.31Å
726	G	34.6	Very low	49.6	Very low	39 Å²	39	90.5 Å²	90.5	40%	0.402	55%	0.545	S	S	.	.			trans	-53.2	140.7	148.9	0	0	0	0	0	107.7	L723 V724 T728	L723-G726 PolarHBondContact O-N 2.8Å; V724-G726 PolarHBondContact O-N 3.09Å; G726-T728 VanDerWaalsContact C-N 3.32Å; G726-T728 PolarHBondContact O-N 3.29Å
727	P	36.8	Very low	48.2	Very low	116 Å²	116	90.9 Å²	90.9	75%	0.753	55%	0.545	S	S	*	.			trans	-69	85.5	-162.3	26.6	-35.9	0	0	0	112.9	A729	P727-A729 PolarHBondContact O-N 3.41Å; P727-A729 VanDerWaalsContact O-N 3.12Å
728	T	37.8	Very low	47.1	Very low	123 Å²	123	87 Å²	87	76%	0.755	54%	0.538	S	S	*	.			trans	-78	40.5	153	52.6	0	0	0	0	110.5	G726 P730	G726-T728 VanDerWaalsContact C-N 3.32Å; G726-T728 PolarHBondContact O-N 3.29Å; T728-P730 WeakPolarHBondContact O-CD 3.26Å
729	A	32.8	Very low	46.7	Very low	66 Å²	66	91.5 Å²	91.5	55%	0.545	56%	0.56	S	S	.	*			trans	-52.5	119.5	139.2	0	0	0	0	0	105.4	P727 V731	P727-A729 PolarHBondContact O-N 3.41Å; P727-A729 VanDerWaalsContact O-N 3.12Å; A729-V731 PolarHBondContact O-N 3.03Å
730	P	36.2	Very low	46.9	Very low	106 Å²	106	91.3 Å²	91.3	69%	0.688	55%	0.552	S	S	*	*			trans	-58.6	120.1	173.4	24.5	-31.9	0	0	0	106.3	T728 S732	T728-P730 WeakPolarHBondContact O-CD 3.26Å; P730-S732 PolarHBondContact O-N 3.07Å; P730-S732 PolarHBondContact O-OG 2.75Å
731	V	42.6	Very low	47.4	Very low	97 Å²	97	90 Å²	90	59%	0.588	55%	0.549	S	S	*	.			trans	-74.8	63.5	172.8	-174	0	0	0	0	108.3	A729 G733 I734	A729-V731 PolarHBondContact O-N 3.03Å; V731-G733 PolarHBondContact O-N 3.01Å; V731-G733 VanDerWaalsContact O-N 3.11Å; V731-I734 HydrophobicContact CG1-CB 4.09Å; V731-I734 HydrophobicContact CG1-CD1 3.83Å; V731-I734 HydrophobicContact CG1-CG1 3.76Å
732	S	46.7	Very low	48.5	Very low	85 Å²	85	90.8 Å²	90.8	59%	0.594	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	17.1	168.8	53.5	0	0	0	0	112	P730 S736	P730-S732 PolarHBondContact O-N 3.07Å; P730-S732 PolarHBondContact O-OG 2.75Å; S732-S736 WeakPolarHBondContact O-CB 3.39Å; S732-S736 PolarHBondContact O-OG 2.71Å
733	G	48.6	Very low	49.9	Very low	45 Å²	45	86.8 Å²	86.8	46%	0.464	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-11.1	178.9	0	0	0	0	0	115.9	V731 S736 T737	V731-G733 PolarHBondContact O-N 3.01Å; V731-G733 VanDerWaalsContact O-N 3.11Å; G733-S736 WeakPolarHBondContact CA-OG 3.02Å; G733-T737 PolarHBondContact O-OG1 3.25Å
734	I	50.1	Low	51.4	Low	111 Å²	111	85 Å²	85	57%	0.569	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-28	-177.2	-56.5	-179.9	0	0	0	112.6	V731 T737 N738	V731-I734 HydrophobicContact CG1-CB 4.09Å; V731-I734 HydrophobicContact CG1-CD1 3.83Å; V731-I734 HydrophobicContact CG1-CG1 3.76Å; I734-T737 PolarHBondContact O-OG1 3.27Å; I734-N738 PolarHBondContact O-ND2 2.81Å
735	T	49.5	Very low	53	Low	89 Å²	89	84.4 Å²	84.4	55%	0.546	54%	0.535	S	S	.	.	H	α-helix	trans	-81.6	-33.6	169.3	48.9	0	0	0	0	112.1	N738 I739	T735-N738 PolarHBondContact O-N 2.03Å; T735-I739 WeakPolarHBondContact O-CB 3.18Å; T735-I739 WeakPolarHBondContact O-CD1 3.46Å; T735-I739 WeakPolarHBondContact O-CG1 3.4Å; T735-I739 PolarHBondContact O-N 2.82Å
736	S	50.8	Low	54.9	Low	43 Å²	43	81.3 Å²	81.3	30%	0.301	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-44.6	177.4	50.7	0	0	0	0	112.4	S732 G733 I739 I740	S732-S736 WeakPolarHBondContact O-CB 3.39Å; S732-S736 PolarHBondContact O-OG 2.71Å; G733-S736 WeakPolarHBondContact CA-OG 3.02Å; S736-I739 PolarHBondContact O-N 2.88Å; S736-I740 VanDerWaalsContact O-CB 3.31Å; S736-I740 WeakPolarHBondContact O-CB 3.46Å; S736-I740 WeakPolarHBondContact O-CD1 3.25Å; S736-I740 WeakPolarHBondContact O-CG1 3.44Å; S736-I740 PolarHBondContact O-N 2.92Å
737	T	56.5	Low	57.2	Low	68 Å²	68	82.7 Å²	82.7	42%	0.417	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-45.5	176.5	46.9	0	0	0	0	112	G733 I734 I740 I741	G733-T737 PolarHBondContact O-OG1 3.25Å; I734-T737 PolarHBondContact O-OG1 3.27Å; T737-I740 PolarHBondContact O-N 3.27Å; T737-I741 WeakPolarHBondContact O-CB 3.39Å; T737-I741 WeakPolarHBondContact O-CD1 3.32Å; T737-I741 WeakPolarHBondContact O-CG1 3.23Å; T737-I741 PolarHBondContact O-N 2.99Å
738	N	56.7	Low	59.6	Low	103 Å²	103	82.2 Å²	82.2	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-69.5	-34.1	178	-73.5	-54.9	0	0	0	113.4	I734 T735 G742	I734-N738 PolarHBondContact O-ND2 2.81Å; T735-N738 PolarHBondContact O-N 2.03Å; N738-G742 PolarHBondContact O-N 2.92Å
739	I	62	Low	61.9	Low	119 Å²	119	82 Å²	82	61%	0.61	51%	0.511	S	S	*	.	H	α-helix	trans	-71.1	-38.1	173.5	-69.1	165.9	0	0	0	110.8	T735 S736 G742 A743	T735-I739 WeakPolarHBondContact O-CB 3.18Å; T735-I739 WeakPolarHBondContact O-CD1 3.46Å; T735-I739 WeakPolarHBondContact O-CG1 3.4Å; T735-I739 PolarHBondContact O-N 2.82Å; S736-I739 PolarHBondContact O-N 2.88Å; I739-G742 PolarHBondContact O-N 3.05Å; I739-A743 VanDerWaalsContact O-CB 3.24Å; I739-A743 WeakPolarHBondContact O-CB 3.33Å; I739-A743 PolarHBondContact O-N 2.85Å
740	I	64.4	Low	64.4	Low	99 Å²	99	85.4 Å²	85.4	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-66.3	-44.3	174.4	-70.6	164	0	0	0	110.5	S736 T737 G742 A743 I744	S736-I740 VanDerWaalsContact O-CB 3.31Å; S736-I740 WeakPolarHBondContact O-CB 3.46Å; S736-I740 WeakPolarHBondContact O-CD1 3.25Å; S736-I740 WeakPolarHBondContact O-CG1 3.44Å; S736-I740 PolarHBondContact O-N 2.92Å; T737-I740 PolarHBondContact O-N 3.27Å; I740-G742 PolarHBondContact O-N 2.87Å; I740-A743 PolarHBondContact O-N 3.43Å; I740-I744 HydrophobicContact CG2-CD1 3.63Å; I740-I744 HydrophobicContact CG2-CG1 4.35Å; I740-I744 WeakPolarHBondContact O-CB 3.42Å; I740-I744 VanDerWaalsContact O-CG1 3.24Å; I740-I744 WeakPolarHBondContact O-CG1 3.03Å; I740-I744 PolarHBondContact O-N 2.88Å
741	I	67.3	Low	66.8	Low	98 Å²	98	85.3 Å²	85.3	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-43	174.3	-68.4	163	0	0	0	110.5	T737 I744 T745	T737-I741 WeakPolarHBondContact O-CB 3.39Å; T737-I741 WeakPolarHBondContact O-CD1 3.32Å; T737-I741 WeakPolarHBondContact O-CG1 3.23Å; T737-I741 PolarHBondContact O-N 2.99Å; I741-I744 PolarHBondContact O-N 2.96Å; I741-T745 VanDerWaalsContact O-CB 3.28Å; I741-T745 WeakPolarHBondContact O-CB 3.3Å; I741-T745 PolarHBondContact O-N 2.85Å; I741-T745 PolarHBondContact O-OG1 2.8Å
742	G	68.3	Low	69	Low	44 Å²	44	83.1 Å²	83.1	45%	0.454	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-42	174.8	0	0	0	0	0	113.1	N738 I739 I740 G746	N738-G742 PolarHBondContact O-N 2.92Å; I739-G742 PolarHBondContact O-N 3.05Å; I740-G742 PolarHBondContact O-N 2.87Å; G742-G746 PolarHBondContact O-N 3.03Å
743	A	73.5	Confident	71	Confident	55 Å²	55	84.2 Å²	84.2	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-42.4	176.5	0	0	0	0	0	112.1	I739 I740 S747	I739-A743 VanDerWaalsContact O-CB 3.24Å; I739-A743 WeakPolarHBondContact O-CB 3.33Å; I739-A743 PolarHBondContact O-N 2.85Å; I740-A743 PolarHBondContact O-N 3.43Å; A743-S747 VanDerWaalsContact O-CB 3.24Å; A743-S747 WeakPolarHBondContact O-CB 3.36Å; A743-S747 PolarHBondContact O-N 3.15Å; A743-S747 PolarHBondContact O-OG 3.21Å
744	I	79.6	Confident	72.9	Confident	93 Å²	93	85.6 Å²	85.6	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-64.8	-47.1	175.9	-70	167.2	0	0	0	110	I740 I741 G746 S747 I748	I740-I744 HydrophobicContact CG2-CD1 3.63Å; I740-I744 HydrophobicContact CG2-CG1 4.35Å; I740-I744 WeakPolarHBondContact O-CB 3.42Å; I740-I744 VanDerWaalsContact O-CG1 3.24Å; I740-I744 WeakPolarHBondContact O-CG1 3.03Å; I740-I744 PolarHBondContact O-N 2.88Å; I741-I744 PolarHBondContact O-N 2.96Å; I744-G746 PolarHBondContact O-N 3.44Å; I744-S747 PolarHBondContact O-N 2.62Å; I744-I748 HydrophobicContact CG2-CD1 3.69Å; I744-I748 HydrophobicContact CG2-CG1 4.43Å; I744-I748 WeakPolarHBondContact O-CB 3.36Å; I744-I748 VanDerWaalsContact O-CG1 3.27Å; I744-I748 WeakPolarHBondContact O-CG1 3.1Å; I744-I748 PolarHBondContact O-N 3.04Å
745	T	78.8	Confident	74.7	Confident	72 Å²	72	85.9 Å²	85.9	44%	0.442	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-41.7	179.2	-49.9	0	0	0	0	111.3	I741 I748 L749	I741-T745 VanDerWaalsContact O-CB 3.28Å; I741-T745 WeakPolarHBondContact O-CB 3.3Å; I741-T745 PolarHBondContact O-N 2.85Å; I741-T745 PolarHBondContact O-OG1 2.8Å; T745-I748 PolarHBondContact O-N 3.42Å; T745-L749 HydrophobicContact CG2-CD1 4.31Å; T745-L749 WeakPolarHBondContact O-CB 3.5Å; T745-L749 WeakPolarHBondContact O-CG 3.28Å; T745-L749 PolarHBondContact O-N 3.12Å
746	G	79.3	Confident	76.4	Confident	37 Å²	37	84.4 Å²	84.4	38%	0.381	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-39.9	172.9	0	0	0	0	0	112.8	G742 I744 L749 F750	G742-G746 PolarHBondContact O-N 3.03Å; I744-G746 PolarHBondContact O-N 3.44Å; G746-L749 PolarHBondContact O-N 3.13Å; G746-F750 VanDerWaalsContact O-CB 3.28Å; G746-F750 WeakPolarHBondContact O-CB 3.02Å; G746-F750 PolarHBondContact O-N 2.93Å
747	S	82.3	Confident	78.1	Confident	67 Å²	67	85.7 Å²	85.7	47%	0.469	50%	0.498	S	S	.	.	H	α-helix	trans	-66.7	-41.3	175.7	-61.1	0	0	0	0	112.2	A743 I744 F750 L751	A743-S747 VanDerWaalsContact O-CB 3.24Å; A743-S747 WeakPolarHBondContact O-CB 3.36Å; A743-S747 PolarHBondContact O-N 3.15Å; A743-S747 PolarHBondContact O-OG 3.21Å; I744-S747 PolarHBondContact O-N 2.62Å; S747-F750 PolarHBondContact O-N 3.17Å; S747-L751 WeakPolarHBondContact O-CB 3.43Å; S747-L751 WeakPolarHBondContact O-CG 3.34Å; S747-L751 PolarHBondContact O-N 3.35Å
748	I	87.1	Confident	79.4	Confident	107 Å²	107	86 Å²	86	55%	0.549	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-43.6	175.5	-69.5	166.6	0	0	0	110.4	I744 T745 L751 A752	I744-I748 HydrophobicContact CG2-CD1 3.69Å; I744-I748 HydrophobicContact CG2-CG1 4.43Å; I744-I748 WeakPolarHBondContact O-CB 3.36Å; I744-I748 VanDerWaalsContact O-CG1 3.27Å; I744-I748 WeakPolarHBondContact O-CG1 3.1Å; I744-I748 PolarHBondContact O-N 3.04Å; T745-I748 PolarHBondContact O-N 3.42Å; I748-L751 PolarHBondContact O-N 3.34Å; I748-A752 VanDerWaalsContact O-CB 3.24Å; I748-A752 WeakPolarHBondContact O-CB 3.41Å; I748-A752 PolarHBondContact O-N 2.02Å
749	L	86.1	Confident	80.7	Confident	118 Å²	118	83.9 Å²	83.9	62%	0.618	50%	0.497	S	S	*	.	H	α-helix	trans	-62.4	-42	174.1	-83	164.9	0	0	0	111.9	T745 G746 A752 L753	T745-L749 HydrophobicContact CG2-CD1 4.31Å; T745-L749 WeakPolarHBondContact O-CB 3.5Å; T745-L749 WeakPolarHBondContact O-CG 3.28Å; T745-L749 PolarHBondContact O-N 3.12Å; G746-L749 PolarHBondContact O-N 3.13Å; L749-A752 PolarHBondContact O-N 3.12Å; L749-L753 VanDerWaalsContact O-CB 3.3Å; L749-L753 WeakPolarHBondContact O-CB 3.16Å; L749-L753 PolarHBondContact O-N 2.88Å
750	F	86	Confident	81.5	Confident	137 Å²	137	87.1 Å²	87.1	60%	0.601	50%	0.501	S	S	*	.	H	α-helix	trans	-67.6	-41.3	178.1	-168.4	-110.8	0	0	0	112.1	G746 S747 L753 I754	G746-F750 VanDerWaalsContact O-CB 3.28Å; G746-F750 WeakPolarHBondContact O-CB 3.02Å; G746-F750 PolarHBondContact O-N 2.93Å; S747-F750 PolarHBondContact O-N 3.17Å; F750-L753 PolarHBondContact O-N 3.47Å; F750-I754 HydrophobicContact CD1-CD1 3.75Å; F750-I754 HydrophobicContact CE1-CD1 3.5Å; F750-I754 HydrophobicContact CE1-CG1 4.42Å; F750-I754 HydrophobicContact CZ-CD1 4.11Å; F750-I754 WeakPolarHBondContact O-CG1 3.46Å; F750-I754 PolarHBondContact O-N 3.48Å
751	L	87.6	Confident	82	Confident	104 Å²	104	85.8 Å²	85.8	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-40.6	172.2	-76.7	168.4	0	0	0	112	S747 I748 L753 I754 L755	S747-L751 WeakPolarHBondContact O-CB 3.43Å; S747-L751 WeakPolarHBondContact O-CG 3.34Å; S747-L751 PolarHBondContact O-N 3.35Å; I748-L751 PolarHBondContact O-N 3.34Å; L751-L753 VanDerWaalsContact C-N 3.29Å; L751-L753 PolarHBondContact O-N 3.32Å; L751-I754 PolarHBondContact O-N 2.82Å; L751-L755 WeakPolarHBondContact O-CB 3.32Å; L751-L755 VanDerWaalsContact O-CG 3.27Å; L751-L755 WeakPolarHBondContact O-CG 3.37Å; L751-L755 PolarHBondContact O-N 2.92Å
752	A	87.5	Confident	82.5	Confident	52 Å²	52	88.6 Å²	88.6	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-35.9	173.8	0	0	0	0	0	111.8	I748 L749 L755 A756	I748-A752 VanDerWaalsContact O-CB 3.24Å; I748-A752 WeakPolarHBondContact O-CB 3.41Å; I748-A752 PolarHBondContact O-N 2.02Å; L749-A752 PolarHBondContact O-N 3.12Å; A752-L755 PolarHBondContact O-N 3.47Å; A752-A756 VanDerWaalsContact O-CB 3.27Å; A752-A756 WeakPolarHBondContact O-CB 3.5Å; A752-A756 PolarHBondContact O-N 3.3Å
753	L	88.3	Confident	82.9	Confident	107 Å²	107	93.2 Å²	93.2	56%	0.56	51%	0.513	S	S	*	.	H	α-helix	trans	-71.9	-40.2	176	-155.6	156.4	0	0	0	111.2	L749 F750 L751 A756 V757	L749-L753 VanDerWaalsContact O-CB 3.3Å; L749-L753 WeakPolarHBondContact O-CB 3.16Å; L749-L753 PolarHBondContact O-N 2.88Å; F750-L753 PolarHBondContact O-N 3.47Å; L751-L753 VanDerWaalsContact C-N 3.29Å; L751-L753 PolarHBondContact O-N 3.32Å; L753-A756 PolarHBondContact O-N 2.98Å; L753-V757 HydrophobicContact CD2-CG2 3.9Å; L753-V757 WeakPolarHBondContact O-CB 3.18Å; L753-V757 VanDerWaalsContact O-CG2 3.29Å; L753-V757 WeakPolarHBondContact O-CG2 3.47Å; L753-V757 PolarHBondContact O-N 2.91Å
754	I	89.1	Confident	82.5	Confident	75 Å²	75	93.2 Å²	93.2	39%	0.385	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-41.6	170.1	-70.9	169.4	0	0	0	110.9	F750 L751 V757 T758	F750-I754 HydrophobicContact CD1-CD1 3.75Å; F750-I754 HydrophobicContact CE1-CD1 3.5Å; F750-I754 HydrophobicContact CE1-CG1 4.42Å; F750-I754 HydrophobicContact CZ-CD1 4.11Å; F750-I754 WeakPolarHBondContact O-CG1 3.46Å; F750-I754 PolarHBondContact O-N 3.48Å; L751-I754 PolarHBondContact O-N 2.82Å; I754-V757 PolarHBondContact O-N 2.78Å; I754-T758 HydrophobicContact CG2-CG2 4.21Å; I754-T758 VanDerWaalsContact O-CB 3.32Å; I754-T758 WeakPolarHBondContact O-CB 3.46Å; I754-T758 VanDerWaalsContact O-CG2 3.3Å; I754-T758 WeakPolarHBondContact O-CG2 3.31Å; I754-T758 PolarHBondContact O-N 3.21Å; I754-T758 PolarHBondContact O-OG1 2.93Å
755	L	89.2	Confident	81.9	Confident	117 Å²	117	95 Å²	95	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-67	-37.2	175.7	-73.2	171.8	0	0	0	111.7	L751 A752 T758 A759	L751-L755 WeakPolarHBondContact O-CB 3.32Å; L751-L755 VanDerWaalsContact O-CG 3.27Å; L751-L755 WeakPolarHBondContact O-CG 3.37Å; L751-L755 PolarHBondContact O-N 2.92Å; A752-L755 PolarHBondContact O-N 3.47Å; L755-T758 WeakPolarHBondContact CA-OG1 3.36Å; L755-T758 PolarHBondContact O-OG1 3.16Å; L755-A759 WeakPolarHBondContact O-CB 3.36Å; L755-A759 PolarHBondContact O-N 2.98Å
756	A	84.9	Confident	81.1	Confident	58 Å²	58	96.8 Å²	96.8	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-67.5	-42.7	173.6	0	0	0	0	0	111.9	A752 L753 W760	A752-A756 VanDerWaalsContact O-CB 3.27Å; A752-A756 WeakPolarHBondContact O-CB 3.5Å; A752-A756 PolarHBondContact O-N 3.3Å; L753-A756 PolarHBondContact O-N 2.98Å; A756-W760 WeakPolarHBondContact O-CB 3.44Å; A756-W760 PolarHBondContact O-N 3.47Å
757	V	85.8	Confident	80.2	Confident	70 Å²	70	102.5 Å²	102.5	42%	0.424	53%	0.528	S	S	.	.	H	α-helix	trans	-69.7	-41.1	177.1	169.5	0	0	0	0	111.3	L753 I754 W760 C761	L753-V757 HydrophobicContact CD2-CG2 3.9Å; L753-V757 WeakPolarHBondContact O-CB 3.18Å; L753-V757 VanDerWaalsContact O-CG2 3.29Å; L753-V757 WeakPolarHBondContact O-CG2 3.47Å; L753-V757 PolarHBondContact O-N 2.91Å; I754-V757 PolarHBondContact O-N 2.78Å; V757-W760 PolarHBondContact O-N 2.96Å; V757-C761 VanDerWaalsContact O-CB 3.29Å; V757-C761 WeakPolarHBondContact O-CB 3.47Å; V757-C761 PolarHBondContact O-N 3.5Å
758	T	83.9	Confident	78.9	Confident	74 Å²	74	108.1 Å²	108.1	45%	0.454	54%	0.538	S	S	.	.	H	α-helix	trans	-70.7	-35.1	175	53	0	0	0	0	111.8	I754 L755 Y762	I754-T758 HydrophobicContact CG2-CG2 4.21Å; I754-T758 VanDerWaalsContact O-CB 3.32Å; I754-T758 WeakPolarHBondContact O-CB 3.46Å; I754-T758 VanDerWaalsContact O-CG2 3.3Å; I754-T758 WeakPolarHBondContact O-CG2 3.31Å; I754-T758 PolarHBondContact O-N 3.21Å; I754-T758 PolarHBondContact O-OG1 2.93Å; L755-T758 WeakPolarHBondContact CA-OG1 3.36Å; L755-T758 PolarHBondContact O-OG1 3.16Å; T758-Y762 WeakPolarHBondContact O-CB 3.26Å; T758-Y762 PolarHBondContact O-N 2.95Å
759	A	83.1	Confident	77.2	Confident	58 Å²	58	111 Å²	111	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-67.2	-35.8	169.6	0	0	0	0	0	112.1	L755 K763	L755-A759 WeakPolarHBondContact O-CB 3.36Å; L755-A759 PolarHBondContact O-N 2.98Å; A759-K763 WeakPolarHBondContact O-CB 3.42Å; A759-K763 PolarHBondContact O-N 3.18Å
760	W	80.3	Confident	75.5	Confident	187 Å²	187	114.1 Å²	114.1	71%	0.708	55%	0.547	S	S	*	.	H	α-helix	trans	-71	-43.4	175	-172.9	58.3	0	0	0	111.7	A756 V757 K763 S764	A756-W760 WeakPolarHBondContact O-CB 3.44Å; A756-W760 PolarHBondContact O-N 3.47Å; V757-W760 PolarHBondContact O-N 2.96Å; W760-K763 PolarHBondContact O-N 2.94Å; W760-S764 WeakPolarHBondContact O-CB 3.36Å; W760-S764 PolarHBondContact O-N 3.46Å
761	C	74.2	Confident	73.9	Confident	72 Å²	72	110.9 Å²	110.9	49%	0.486	55%	0.546	S	S	.	.	H	α-helix	trans	-62.5	-40.1	170.2	-81.8	0	0	0	0	111.7	V757 S764 Y765	V757-C761 VanDerWaalsContact O-CB 3.29Å; V757-C761 WeakPolarHBondContact O-CB 3.47Å; V757-C761 PolarHBondContact O-N 3.5Å; C761-S764 PolarHBondContact O-N 3.45Å; C761-Y765 WeakPolarHBondContact O-CB 3.18Å; C761-Y765 PolarHBondContact O-N 3.32Å
762	Y	77.6	Confident	72	Confident	156 Å²	156	114.1 Å²	114.1	61%	0.612	56%	0.558	S	S	*	*	H	α-helix	trans	-68.7	-38.7	175.1	-175.1	-96.1	0	0	0	111.6	T758 S764 Y765 K766	T758-Y762 WeakPolarHBondContact O-CB 3.26Å; T758-Y762 PolarHBondContact O-N 2.95Å; Y762-S764 VanDerWaalsContact C-N 3.34Å; Y762-Y765 PolarHBondContact O-N 3.05Å; Y762-K766 HydrophobicContact CE1-CD 4.33Å; Y762-K766 WeakPolarHBondContact O-CB 3.35Å; Y762-K766 PolarHBondContact O-N 3.46Å
763	K	75.9	Confident	70.3	Confident	142 Å²	142	115.8 Å²	115.8	62%	0.617	57%	0.567	S	S	*	*	H	α-helix	trans	-66.4	-35.3	172.7	-171.9	174.1	-175.8	176.1	0	111.9	A759 W760 K767	A759-K763 WeakPolarHBondContact O-CB 3.42Å; A759-K763 PolarHBondContact O-N 3.18Å; W760-K763 PolarHBondContact O-N 2.94Å; K763-K767 WeakPolarHBondContact O-CB 3.37Å; K763-K767 PolarHBondContact O-N 3.36Å
764	S	66.4	Low	68.2	Low	54 Å²	54	118 Å²	118	38%	0.378	57%	0.574	S	S	.	*	H	α-helix	trans	-74.7	-40.4	175.8	-166.1	0	0	0	0	112	W760 C761 Y762 K767 R768	W760-S764 WeakPolarHBondContact O-CB 3.36Å; W760-S764 PolarHBondContact O-N 3.46Å; C761-S764 PolarHBondContact O-N 3.45Å; Y762-S764 VanDerWaalsContact C-N 3.34Å; S764-K767 PolarHBondContact O-N 2.82Å; S764-R768 PolarHBondContact O-N 2.87Å
765	Y	66.8	Low	66.1	Low	131 Å²	131	120.1 Å²	120.1	51%	0.514	59%	0.591	S	S	.	*	H	α-helix	trans	-66.8	-41.1	173.4	-175.3	-98.6	0	0	0	111.4	C761 Y762 R768 R769	C761-Y765 WeakPolarHBondContact O-CB 3.18Å; C761-Y765 PolarHBondContact O-N 3.32Å; Y762-Y765 PolarHBondContact O-N 3.05Å; Y765-R768 PolarHBondContact O-N 2.88Å; Y765-R769 PolarHBondContact O-N 3.47Å
766	K	62.2	Low	64.1	Low	109 Å²	109	123.5 Å²	123.5	47%	0.474	60%	0.603	S	S	.	*	H	α-helix	trans	-65.9	-39.5	171.7	-168.5	170.2	-177.9	175.4	0	111.4	Y762 R769 Y770	Y762-K766 HydrophobicContact CE1-CD 4.33Å; Y762-K766 WeakPolarHBondContact O-CB 3.35Å; Y762-K766 PolarHBondContact O-N 3.46Å; K766-R769 PolarHBondContact O-N 2.91Å; K766-Y770 HydrophobicContact CG-CD2 4.25Å; K766-Y770 HydrophobicContact CG-CE2 4.28Å; K766-Y770 WeakPolarHBondContact O-CD2 3.33Å; K766-Y770 PolarHBondContact O-N 3.22Å; K766-Y770 VanDerWaalsContact O-N 3.12Å
767	K	59.3	Low	62	Low	158 Å²	158	130.4 Å²	130.4	69%	0.687	62%	0.617	S	S	*	*	H	α-helix	trans	-61.4	-39	169.5	-91	-168.2	169.3	-167.8	0	112.6	K763 S764 A771	K763-K767 WeakPolarHBondContact O-CB 3.37Å; K763-K767 PolarHBondContact O-N 3.36Å; S764-K767 PolarHBondContact O-N 2.82Å; K767-A771 PolarHBondContact O-N 2.86Å
768	R	56.4	Low	59.7	Low	184 Å²	184	137.6 Å²	137.6	69%	0.694	64%	0.636	S	S	*	*	H	α-helix	trans	-68	-40.6	174.4	-79.3	-178.1	169.5	172.1	-3.4	112.5	S764 Y765 Y770 A771 E772	S764-R768 PolarHBondContact O-N 2.87Å; Y765-R768 PolarHBondContact O-N 2.88Å; R768-Y770 VanDerWaalsContact C-N 3.3Å; R768-Y770 PolarHBondContact O-N 3.3Å; R768-A771 PolarHBondContact O-N 3.09Å; R768-E772 PolarHBondContact O-N 2.72Å
769	R	51.3	Low	57.4	Low	167 Å²	167	143.6 Å²	143.6	63%	0.63	66%	0.656	S	S	*	*	H	α-helix	trans	-69	-20.7	176.3	-107.2	-175.1	175.5	-179.3	0.3	115.1	Y765 K766 S773	Y765-R769 PolarHBondContact O-N 3.47Å; K766-R769 PolarHBondContact O-N 2.91Å; R769-S773 PolarHBondContact O-OG 2.78Å
770	Y	49.8	Very low	55.1	Low	184 Å²	184	145.7 Å²	145.7	72%	0.722	67%	0.666	S	S	*	*	H	α-helix	trans	-84.6	-14.9	166.8	-88.3	-81.9	0	0	0	113.5	K766 R768	K766-Y770 HydrophobicContact CG-CD2 4.25Å; K766-Y770 HydrophobicContact CG-CE2 4.28Å; K766-Y770 WeakPolarHBondContact O-CD2 3.33Å; K766-Y770 PolarHBondContact O-N 3.22Å; K766-Y770 VanDerWaalsContact O-N 3.12Å; R768-Y770 VanDerWaalsContact C-N 3.3Å; R768-Y770 PolarHBondContact O-N 3.3Å
771	A	52.1	Low	52.9	Low	70 Å²	70	147.4 Å²	147.4	58%	0.579	67%	0.672	S	S	*	*	H	α-helix	trans	-92.5	-17.8	176.1	0	0	0	0	0	113.3	K767 R768	K767-A771 PolarHBondContact O-N 2.86Å; R768-A771 PolarHBondContact O-N 3.09Å
772	E	48.9	Very low	50.9	Low	171 Å²	171	151.9 Å²	151.9	80%	0.799	69%	0.686	S	S	*	*	S	Bend	trans	-102.2	11.3	-176.6	-150.6	166.7	-140.1	0	0	113.4	R768	R768-E772 PolarHBondContact O-N 2.72Å
773	S	51.5	Low	48.7	Very low	88 Å²	88	152 Å²	152	62%	0.615	70%	0.696	S	S	*	*	S	Bend	trans	-128.6	16.2	-179.7	50.2	0	0	0	0	115.4	R769	R769-S773 PolarHBondContact O-OG 2.78Å
774	E	43.8	Very low	47.1	Very low	152 Å²	152	150.9 Å²	150.9	71%	0.71	70%	0.703	S	S	*	*	S	Bend	trans	-138.3	2.9	166.5	-134.4	162.2	-152.3	0	0	117.1	H776 R777	E774-H776 PolarHBondContact O-N 2.93Å; E774-R777 PolarHBondContact O-N 2.94Å; E774-R777 VanDerWaalsContact O-N 3.16Å
775	V	44.6	Very low	45.9	Very low	120 Å²	120	154.6 Å²	154.6	73%	0.727	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	42.4	159.4	-161.8	0	0	0	0	111.3
776	H	48.5	Very low	44.2	Very low	189 Å²	189	151.7 Å²	151.7	88%	0.875	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	8.6	143.8	-136.4	71.1	0	0	0	111.8	E774	E774-H776 PolarHBondContact O-N 2.93Å
777	R	40.3	Very low	42.7	Very low	202 Å²	202	152.6 Å²	152.6	76%	0.762	75%	0.746	S	S	*	*	S	Bend	trans	-136.7	94.4	170.5	-77.3	-171.4	-178.6	176	3.3	113.7	E774	E774-R777 PolarHBondContact O-N 2.94Å; E774-R777 VanDerWaalsContact O-N 3.16Å
778	R	37.4	Very low	41.5	Very low	222 Å²	222	154.8 Å²	154.8	84%	0.838	75%	0.751	S	S	*	*			trans	65.2	85.4	141.8	-59.8	177.3	178.2	170.4	-1.7	117	C780	R778-C780 PolarHBondContact O-N 2.94Å; R778-C780 VanDerWaalsContact O-N 3.1Å
779	F	34.9	Very low	40.4	Very low	200 Å²	200	151.5 Å²	151.5	88%	0.877	75%	0.751	S	S	*	*			trans	-63.6	102	136.9	-117.5	-91.3	0	0	0	108.7
780	C	35.7	Very low	39.4	Very low	101 Å²	101	149.9 Å²	149.9	68%	0.682	76%	0.76	S	S	*	*			trans	-148.1	120.7	165	-93	0	0	0	0	107.8	R778	R778-C780 PolarHBondContact O-N 2.94Å; R778-C780 VanDerWaalsContact O-N 3.1Å
781	R	33.3	Very low	38.7	Very low	223 Å²	223	150.5 Å²	150.5	84%	0.842	77%	0.767	S	S	*	*			trans	71	145.1	-179.2	-56.9	177.9	176.8	172.3	-2.6	113.5
782	Q	31.8	Very low	38.5	Very low	167 Å²	167	153.3 Å²	153.3	78%	0.78	78%	0.779	S	S	*	*			cis	-158	147.3	-0.7	-122.7	159.1	-18.7	0	0	108.6
783	I	32.2	Very low	37.9	Very low	159 Å²	159	148.4 Å²	148.4	82%	0.815	77%	0.774	S	S	*	*			trans	-126.5	146.4	160.8	-71.8	-178	0	0	0	107.6
784	P	41.5	Very low	37.1	Very low	117 Å²	117	152.2 Å²	152.2	76%	0.76	79%	0.787	S	S	*	*			trans	-79.7	176.7	-163.8	-14.1	33.1	0	0	0	115.2
785	P	40.9	Very low	36.8	Very low	133 Å²	133	149 Å²	149	86%	0.864	79%	0.787	S	S	*	*			trans	-96.4	167.2	-156.8	38.3	-38.1	0	0	0	117
786	G	30.9	Very low	36.4	Very low	70 Å²	70	150.5 Å²	150.5	72%	0.722	79%	0.791	S	S	*	*			trans	115	130.3	167.9	0	0	0	0	0	113.1
787	D	31.4	Very low	35.9	Very low	128 Å²	128	146.1 Å²	146.1	68%	0.684	78%	0.782	S	S	*	*			cis	-166.8	140	-6.5	-126.9	-2.8	0	0	0	110.3
788	Y	34.8	Very low	35.6	Very low	204 Å²	204	145.1 Å²	145.1	80%	0.8	78%	0.783	S	S	*	*			trans	55.1	151.3	163	-54.1	-66.6	0	0	0	120.1
789	V	33.3	Very low	35.7	Very low	114 Å²	114	144.2 Å²	144.2	69%	0.691	78%	0.781	S	S	*	*			cis	-164.1	147.5	-9.4	114.8	0	0	0	0	113.8
790	T	30.8	Very low	35.7	Very low	133 Å²	133	138.8 Å²	138.8	82%	0.816	77%	0.768	S	S	*	*			trans	69	148.6	159.8	50.7	0	0	0	0	125.5
791	K	35	Very low	35.7	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	77%	0.772	S	S	*	*			trans	-97.6	-163.6	-177.2	-54.2	-179.4	168.3	-175.8	0	112.2
792	P	47.7	Very low	35.5	Very low	129 Å²	129	138.6 Å²	138.6	84%	0.838	77%	0.774	S	S	*	*			cis	-142	176.7	-4.6	38.6	-17.3	0	0	0	119.3
793	G	35.5	Very low	36.7	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	77%	0.772	S	S	*	*			trans	135.5	104.2	145.8	0	0	0	0	0	120.9
794	D	34.8	Very low	38.3	Very low	168 Å²	168	134.7 Å²	134.7	90%	0.898	77%	0.773	S	S	*	*			trans	20.1	160	131.9	-49.9	-18.4	0	0	0	122.7
795	A	37.7	Very low	37.7	Very low	86 Å²	86	132.8 Å²	132.8	71%	0.711	78%	0.775	S	S	*	*			cis	-172.6	162.9	-18.9	0	0	0	0	0	113.4
796	D	36.1	Very low	37.2	Very low	151 Å²	151	133.2 Å²	133.2	81%	0.807	78%	0.775	S	S	*	*			trans	57	118.8	144	-68.7	-8.1	0	0	0	129.6
797	S	38.6	Very low	37.2	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	77%	0.772	S	S	*	*				102.3	142.6	114.2	78	0	0	0	0	128.3
798	F	34.1	Very low	37.2	Very low	181 Å²	181	133.7 Å²	133.7	79%	0.794	77%	0.772	S	S	*	*			trans	93.2	134.1	137.5	-82.6	-53.2	0	0	0	129.2
799	Y	37.7	Very low	36.9	Very low	202 Å²	202	130.5 Å²	130.5	79%	0.792	77%	0.769	S	S	*	*			trans	66.7	160.8	157.5	-85	-114.6	0	0	0	122.7
800	S	37	Very low	36.8	Very low	87 Å²	87	131 Å²	131	61%	0.608	78%	0.777	S	S	*	*			cis	-174.9	157.3	-45.2	-95	0	0	0	0	116.4
801	D	35.4	Very low	36.6	Very low	143 Å²	143	128.2 Å²	128.2	77%	0.765	78%	0.776	S	S	*	*			trans	55.6	130.1	148.1	-69.3	-41.5	0	0	0	129.5
802	M	28.5	Very low	36.1	Very low	177 Å²	177	125.1 Å²	125.1	87%	0.872	78%	0.778	S	S	*	*			trans	81	156.5	136.9	-76.8	-146.9	175	0	0	125.7
803	P	57	Low	35.1	Very low	114 Å²	114	123.9 Å²	123.9	74%	0.74	77%	0.772	S	S	*	*			trans	-127.9	-136.1	-143.6	33.9	-8.9	0	0	0	117.2
804	P	64.8	Low	35	Very low	129 Å²	129	125.1 Å²	125.1	84%	0.838	77%	0.77	S	S	*	*				-118.7	179.7	-86	36.9	-20.1	0	0	0	116.6
805	G	30.1	Very low	34.8	Very low	78 Å²	78	125.7 Å²	125.7	80%	0.804	76%	0.764	S	S	*	*			trans	-165.8	171.1	176.9	0	0	0	0	0	117.8
806	V	31.1	Very low	34.4	Very low	141 Å²	141	128.9 Å²	128.9	86%	0.855	76%	0.762	S	S	*	*			trans	-113.3	156.9	-160.6	-169.6	0	0	0	0	114.2
807	S	30.3	Very low	34.2	Very low	96 Å²	96	131.7 Å²	131.7	67%	0.671	76%	0.761	S	S	*	*			trans	123.3	141	133.9	79.1	0	0	0	0	122.1
808	T	31	Very low	33.9	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	76%	0.761	S	S	*	*			trans	63.3	122.7	145.2	49.2	0	0	0	0	124.9
809	N	29.5	Very low	33.7	Very low	138 Å²	138	127.6 Å²	127.6	74%	0.738	76%	0.761	S	S	*	*				64.8	125.3	125.1	-60.6	-5.8	0	0	0	123.6
810	S	29.7	Very low	33.3	Very low	123 Å²	123	123.1 Å²	123.1	86%	0.86	76%	0.758	S	S	*	*			trans	64.9	138.9	131.1	68.8	0	0	0	0	121.3
811	G	26.3	Very low	32.9	Very low	76 Å²	76	126.7 Å²	126.7	78%	0.784	77%	0.77	S	S	*	*			trans	141.5	110.5	151.2	0	0	0	0	0	115.6
812	C	25.8	Very low	32.7	Very low	133 Å²	133	124 Å²	124	90%	0.899	76%	0.762	S	S	*	*			trans	-49.4	146.1	163.3	-70.1	0	0	0	0	112.9
813	S	27.1	Very low	32.8	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	76%	0.757	S	S	*	*				162.9	128.8	96.9	-164.5	0	0	0	0	114
814	S	32.9	Very low	31.4	Very low	93 Å²	93	124 Å²	124	65%	0.65	75%	0.753	S	S	*	*			trans	48.8	132.7	134.8	-55.8	0	0	0	0	123.7
815	K	30.9	Very low	29.6	Very low	179 Å²	179	126.9 Å²	126.9	78%	0.778	76%	0.755	S	S	*	*			trans	86.5	116	133	-79.1	169.3	-178.8	164.5	0	120.3
816	K	29.3	Very low	29.5	Very low	153 Å²	153	129.5 Å²	129.5	67%	0.665	75%	0.75	S	S	*	*				100.4	125.7	116.8	-85.5	-178.9	175.7	-177.6	0	119.5
817	R	31.7	Very low	29.3	Very low	210 Å²	210	127.8 Å²	127.8	79%	0.792	74%	0.742	S	S	*	*			trans	73.9	155.8	133.1	-72	-176.5	170.7	-173.5	-6	117.7
818	S	30.8	Very low	29.1	Very low	97 Å²	97	128.9 Å²	128.9	68%	0.678	75%	0.745	S	S	*	*			cis	-179.5	159.2	-27	-98.2	0	0	0	0	108.4
819	A	31.7	Very low	28.9	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	75%	0.75	S	S	*	*			trans	69.6	166.1	155.8	0	0	0	0	0	115.1
820	C	28.7	Very low	28.8	Very low	107 Å²	107	129.7 Å²	129.7	72%	0.723	75%	0.754	S	S	*	*			cis	-155.7	158.3	1	-155.4	0	0	0	0	110.3
821	L	28.1	Very low	28.6	Very low	162 Å²	162	133.4 Å²	133.4	85%	0.848	76%	0.755	S	S	*	*				144.7	150.5	129.7	-83.9	156	0	0	0	115.5
822	S	30.6	Very low	28.7	Very low	86 Å²	86	135.7 Å²	135.7	60%	0.601	75%	0.754	S	S	*	*			trans	-129	156.9	-155.4	45.1	0	0	0	0	112.5
823	H	32.5	Very low	29.2	Very low	168 Å²	168	135 Å²	135	78%	0.778	75%	0.748	S	S	*	*			trans	146	125.8	140.9	-92.9	-90.2	0	0	0	110
824	L	26.9	Very low	29	Very low	125 Å²	125	134.6 Å²	134.6	65%	0.654	75%	0.745	S	S	*	*			cis	100.1	98.2	17.6	-146.8	-174.3	0	0	0	114.6	I826	L824-I826 HydrophobicContact CD2-CD1 3.5Å; L824-I826 VanDerWaalsContact CD2-CD1 3.5Å; L824-I826 HydrophobicContact CD2-CG1 3.55Å
825	Q	26.2	Very low	28.6	Very low	189 Å²	189	139.4 Å²	139.4	88%	0.883	75%	0.754	S	S	*	*			trans	-163.4	115.3	154.1	-102.4	178.3	-30.1	0	0	105.7
826	I	29	Very low	28.7	Very low	133 Å²	133	136 Å²	136	68%	0.682	75%	0.751	S	S	*	*				77.7	99.6	52.1	-57.8	171.7	0	0	0	113.7	L824	L824-I826 HydrophobicContact CD2-CD1 3.5Å; L824-I826 VanDerWaalsContact CD2-CD1 3.5Å; L824-I826 HydrophobicContact CD2-CG1 3.55Å
827	C	26.1	Very low	28.5	Very low	104 Å²	104	133.2 Å²	133.2	70%	0.703	75%	0.75	S	S	*	*				-178.3	120.1	111.7	-111	0	0	0	0	113
828	T	27.4	Very low	28.2	Very low	120 Å²	120	131.1 Å²	131.1	74%	0.736	75%	0.753	S	S	*	*				45.8	140.7	126.7	63.9	0	0	0	0	120.6
829	L	25.7	Very low	28	Very low	150 Å²	150	131.6 Å²	131.6	79%	0.785	76%	0.757	S	S	*	*			cis	-136.7	141.3	25	-72.6	133.1	0	0	0	112.9
830	S	27.7	Very low	28	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	76%	0.757	S	S	*	*			trans	-168.8	127.8	152.8	-80.2	0	0	0	0	109.3
831	F	25.3	Very low	27.8	Very low	201 Å²	201	138.3 Å²	138.3	88%	0.882	77%	0.766	S	S	*	*			trans	-72.5	138.7	-179.1	-82.3	-97.3	0	0	0	112.3
832	T	29.1	Very low	27.7	Very low	124 Å²	124	138.7 Å²	138.7	76%	0.761	76%	0.762	S	S	*	*			trans	-131.7	173	164.9	55.7	0	0	0	0	105.8
833	P	34.7	Very low	27.5	Very low	120 Å²	120	140.2 Å²	140.2	78%	0.779	77%	0.772	S	S	*	*			cis	-126.2	-168.2	16.1	41.3	-20.6	0	0	0	111.9
834	S	24.8	Very low	27.3	Very low	94 Å²	94	138 Å²	138	66%	0.657	77%	0.77	S	S	*	*			cis	-159.8	143.9	25.5	46.4	0	0	0	0	113.4
835	F	24.6	Very low	27.2	Very low	193 Å²	193	140.5 Å²	140.5	85%	0.846	78%	0.776	S	S	*	*			trans	-147.1	110.1	158.6	-90.9	-71.4	0	0	0	109.2
836	P	31.1	Very low	27.2	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	77%	0.772	S	S	*	*			trans	-99.4	112.2	167.7	-0.9	22	0	0	0	111.8
837	S	25.1	Very low	27	Very low	93 Å²	93	137.3 Å²	137.3	65%	0.65	78%	0.776	S	S	*	*				50.2	126.9	120.9	59.7	0	0	0	0	123.1
838	I	25.6	Very low	27	Very low	166 Å²	166	143.2 Å²	143.2	85%	0.851	78%	0.784	S	S	*	*			trans	81.2	133.1	133.4	-64.1	165.2	0	0	0	116.3
839	S	27.6	Very low	26.9	Very low	108 Å²	108	142.8 Å²	142.8	76%	0.755	79%	0.786	S	S	*	*			cis	-133.3	150.1	15	50.4	0	0	0	0	113.8
840	Q	30.7	Very low	26.9	Very low	172 Å²	172	143.7 Å²	143.7	80%	0.804	79%	0.792	S	S	*	*			trans	-98.9	141.3	156.2	-75.2	-179.2	-19.5	0	0	108.8
841	N	25.5	Very low	26.8	Very low	172 Å²	172	142 Å²	142	92%	0.92	79%	0.792	S	S	*	*			trans	-125.7	86.6	154.3	-128.6	-11.3	0	0	0	107.4
842	F	26	Very low	27	Very low	170 Å²	170	140.5 Å²	140.5	75%	0.746	79%	0.793	S	S	*	*			trans	-121	116.5	173	-114.2	-62.5	0	0	0	108	V844	F842-V844 HydrophobicContact CD1-CG2 3.78Å; F842-V844 HydrophobicContact CE1-CG2 4.07Å
843	S	25.7	Very low	26.9	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	79%	0.793	S	S	*	*			trans	-112.9	93	164	42	0	0	0	0	108.4
844	V	28.4	Very low	26.6	Very low	120 Å²	120	142.3 Å²	142.3	73%	0.727	79%	0.794	S	S	*	*			trans	-90.5	140.3	170.6	167.2	0	0	0	0	109.9	F842	F842-V844 HydrophobicContact CD1-CG2 3.78Å; F842-V844 HydrophobicContact CE1-CG2 4.07Å
845	F	25.8	Very low	26.7	Very low	179 Å²	179	142.5 Å²	142.5	79%	0.785	80%	0.795	S	S	*	*			trans	-54.9	143.6	177.4	-86.9	-109.6	0	0	0	114.4	F847	F845-F847 HydrophobicContact CD1-CD2 4.16Å; F845-F847 AromaticContact CD1-CE2 3.74Å; F845-F847 HydrophobicContact CD1-CE2 3.74Å; F845-F847 HydrophobicContact CE1-CE2 4.19Å
846	G	24.7	Very low	26.8	Very low	77 Å²	77	144.2 Å²	144.2	79%	0.794	80%	0.796	S	S	*	*			trans	-139.8	99.1	158.5	0	0	0	0	0	110.3
847	F	25.6	Very low	26.6	Very low	177 Å²	177	143.9 Å²	143.9	78%	0.776	80%	0.796	S	S	*	*			trans	-58.7	158.2	165	-80.7	-99.1	0	0	0	109.4	F845	F845-F847 HydrophobicContact CD1-CD2 4.16Å; F845-F847 AromaticContact CD1-CE2 3.74Å; F845-F847 HydrophobicContact CD1-CE2 3.74Å; F845-F847 HydrophobicContact CE1-CE2 4.19Å
848	R	25.4	Very low	26.8	Very low	229 Å²	229	149 Å²	149	86%	0.864	81%	0.81	S	S	*	*				-179.3	134.6	51	-153.6	178.6	-156.6	-178.1	5.3	110.5
849	S	25.3	Very low	26.9	Very low	111 Å²	111	152.3 Å²	152.3	78%	0.776	81%	0.812	S	S	*	*			trans	172.3	114	136.4	56.6	0	0	0	0	114.8
850	N	26.7	Very low	27.1	Very low	169 Å²	169	154.1 Å²	154.1	90%	0.904	81%	0.812	S	S	*	*			trans	41.6	125.1	143.3	-57.3	-1.7	0	0	0	122.8
851	G	26.3	Very low	27.6	Very low	80 Å²	80	151.4 Å²	151.4	83%	0.825	81%	0.809	S	S	*	*			trans	-173	120.7	155.9	0	0	0	0	0	111.5
852	L	27.6	Very low	27.8	Very low	170 Å²	170	150 Å²	150	89%	0.89	80%	0.801	S	S	*	*			trans	-83.4	148.1	-178.7	-66.3	104.4	0	0	0	112.7
853	S	27.3	Very low	28	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	81%	0.806	S	S	*	*				-179.6	140.2	119.6	43	0	0	0	0	114.2
854	H	29.4	Very low	28.3	Very low	170 Å²	170	149.2 Å²	149.2	79%	0.787	80%	0.802	S	S	*	*			trans	-4.6	146	158.5	-53.7	-85.2	0	0	0	119.2
855	S	26.3	Very low	28.5	Very low	99 Å²	99	150.1 Å²	150.1	69%	0.692	80%	0.798	S	S	*	*				-170.4	145.3	57.8	-171.8	0	0	0	0	114
856	W	27.2	Very low	28.7	Very low	228 Å²	228	147.9 Å²	147.9	86%	0.864	79%	0.793	S	S	*	*			trans	22.7	141.2	144.8	-64.7	77	0	0	0	120.4
857	S	26.6	Very low	28.8	Very low	102 Å²	102	150.9 Å²	150.9	71%	0.713	80%	0.796	S	S	*	*			cis	-172.5	149.2	12.2	46.3	0	0	0	0	112.3
858	E	28.6	Very low	29	Very low	202 Å²	202	149 Å²	149	94%	0.944	79%	0.794	S	S	*	*			trans	-148.3	159.6	150.4	-138	166	-148.2	0	0	112
859	R	28	Very low	29.2	Very low	234 Å²	234	145.5 Å²	145.5	88%	0.883	79%	0.791	S	S	*	*			trans	-118.8	119.1	-152.8	-161.4	-174.2	-57.5	-163.4	3.4	112.1
860	I	32.5	Very low	29.2	Very low	146 Å²	146	145.4 Å²	145.4	75%	0.749	79%	0.789	S	S	*	*			trans	-83.1	152.1	167.3	-56.1	166.5	0	0	0	108.8
861	P	40.6	Very low	29.3	Very low	116 Å²	116	144.7 Å²	144.7	75%	0.753	78%	0.78	S	S	*	*				-139.9	163.1	118.8	38.4	-28	0	0	0	112.4
862	D	29.6	Very low	29.4	Very low	141 Å²	141	147.7 Å²	147.7	75%	0.754	78%	0.777	S	S	*	*			cis	-171.8	135.8	-38.4	-139.2	-16.7	0	0	0	105
863	A	30.1	Very low	29.4	Very low	103 Å²	103	143.3 Å²	143.3	85%	0.851	77%	0.774	S	S	*	*			trans	-153.7	122	172.9	0	0	0	0	0	110.9
864	K	32.5	Very low	29.3	Very low	169 Å²	169	149.7 Å²	149.7	74%	0.735	78%	0.781	S	S	*	*			trans	-125.8	140.1	-164.3	-111.7	-175.6	164.1	-178.1	0	113.2
865	H	31.6	Very low	29.9	Very low	140 Å²	140	146.6 Å²	146.6	65%	0.648	78%	0.776	S	S	*	*			trans	57.3	120.5	155.2	-61.6	-61.8	0	0	0	118.9
866	I	30.7	Very low	29.9	Very low	132 Å²	132	152.8 Å²	152.8	68%	0.677	78%	0.784	S	S	*	*				72.9	116.4	63.2	-66	177.4	0	0	0	113.2
867	T	27.8	Very low	29.9	Very low	139 Å²	139	146.1 Å²	146.1	85%	0.853	77%	0.772	S	S	*	*				-164.2	142.8	119.6	23.4	0	0	0	0	112.6
868	D	28.8	Very low	30	Very low	139 Å²	139	148.5 Å²	148.5	74%	0.743	78%	0.777	S	S	*	*			trans	-72.2	-178.1	-170.9	-58.4	-73.5	0	0	0	118.5
869	I	28.9	Very low	30	Very low	155 Å²	155	143.1 Å²	143.1	80%	0.795	76%	0.762	S	S	*	*			trans	116	115.7	137.4	-83.9	156.4	0	0	0	119.3
870	C	27	Very low	29.9	Very low	109 Å²	109	142.7 Å²	142.7	74%	0.736	76%	0.76	S	S	*	*			trans	63.4	152	150.2	-73.4	0	0	0	0	120.9
871	E	28.3	Very low	29.7	Very low	153 Å²	153	143.9 Å²	143.9	72%	0.715	76%	0.763	S	S	*	*			cis	-169.1	158.7	-26.5	-147.2	-174.9	-173.9	0	0	108.2
872	N	28.8	Very low	29.1	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	76%	0.763	S	S	*	*			trans	64.7	140.8	158.2	-61.5	-43.8	0	0	0	121.9
873	G	26.4	Very low	29	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	76%	0.764	S	S	*	*			trans	128.1	78.6	149.5	0	0	0	0	0	119.9
874	R	26	Very low	28.9	Very low	245 Å²	245	144 Å²	144	93%	0.925	76%	0.759	S	S	*	*			trans	-76.3	162.6	143	-105.8	-177.8	176.1	175.8	0	108
875	P	40.8	Very low	28.7	Very low	105 Å²	105	141.4 Å²	141.4	68%	0.682	76%	0.762	S	S	*	*			cis	-147.4	178	24.5	42.5	-22.4	0	0	0	118.5
876	R	26.4	Very low	28.5	Very low	228 Å²	228	138.3 Å²	138.3	86%	0.86	77%	0.768	S	S	*	*			trans	66.9	126.6	137.8	-86.7	176.5	-178.4	173.7	1.2	123.4
877	S	27.7	Very low	28.5	Very low	89 Å²	89	139.2 Å²	139.2	62%	0.622	77%	0.774	S	S	*	*				89.5	128.7	120	70.3	0	0	0	0	121.7
878	N	28.1	Very low	28.7	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	77%	0.77	S	S	*	*			trans	65.7	150.1	139.2	-60.1	7.4	0	0	0	117.6
879	S	29.1	Very low	28.8	Very low	90 Å²	90	144 Å²	144	63%	0.629	77%	0.771	S	S	*	*			cis	172.1	137.4	-18.7	53.3	0	0	0	0	105.7
880	W	27.3	Very low	29	Very low	225 Å²	225	146.9 Å²	146.9	85%	0.852	78%	0.778	S	S	*	*			trans	67	137.9	151.3	-80.8	60.6	0	0	0	122.3
881	Q	28.4	Very low	29.2	Very low	171 Å²	171	148.4 Å²	148.4	80%	0.799	78%	0.778	S	S	*	*			trans	82.1	141.5	147.2	-78.7	174	-11.4	0	0	123.8
882	G	26.6	Very low	29.5	Very low	73 Å²	73	148.9 Å²	148.9	75%	0.753	78%	0.778	S	S	*	*			trans	82.7	95.9	156	0	0	0	0	0	115.6
883	N	27.2	Very low	29.5	Very low	148 Å²	148	146 Å²	146	79%	0.791	78%	0.781	S	S	*	*			cis	61.6	96.2	40.8	-159.2	21.2	0	0	0	114.5
884	L	29.2	Very low	30	Very low	142 Å²	142	150.1 Å²	150.1	74%	0.743	78%	0.777	S	S	*	*				174.8	133.1	119.6	-117	91	0	0	0	115
885	S	27.1	Very low	30.2	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	77%	0.773	S	S	*	*			trans	56.5	136.7	140.7	70.8	0	0	0	0	122.8
886	G	29.1	Very low	29.6	Very low	75 Å²	75	151.6 Å²	151.6	77%	0.773	78%	0.78	S	S	*	*			trans	-159	-10.1	-179.9	0	0	0	0	0	121.6
887	N	30.6	Very low	29.8	Very low	151 Å²	151	152 Å²	152	81%	0.807	78%	0.781	S	S	*	*			trans	68.6	138.8	161.5	-102.6	-44.9	0	0	0	123.3
888	R	31.8	Very low	30.3	Very low	201 Å²	201	152.4 Å²	152.4	76%	0.758	79%	0.79	S	S	*	*			trans	87.7	98.9	142.1	-73.7	178.9	177	-170.5	-0.2	124.1
889	K	31.2	Very low	30.6	Very low	179 Å²	179	156 Å²	156	78%	0.778	79%	0.792	S	S	*	*				64.7	119.4	117.4	-69.3	-179	177.1	-177.2	0	121
890	K	32.8	Very low	31	Very low	214 Å²	214	156.6 Å²	156.6	93%	0.93	80%	0.796	S	S	*	*				-151.4	145	113.5	-113.2	172.9	-175.7	177.5	0	113.6
891	L	30.7	Very low	31.2	Very low	141 Å²	141	152 Å²	152	74%	0.738	79%	0.788	S	S	*	*			trans	-85.1	169.9	172.8	-100.5	78	0	0	0	110
892	K	35.2	Very low	31.5	Very low	164 Å²	164	147.9 Å²	147.9	71%	0.713	78%	0.778	S	S	*	*			cis	-172.2	145.5	-24.8	-135	175.5	-171	156.6	0	106.4
893	G	28.8	Very low	31.7	Very low	81 Å²	81	150.7 Å²	150.7	84%	0.835	78%	0.781	S	S	*	*			trans	-140.6	130.2	163.2	0	0	0	0	0	109.2
894	K	36.6	Very low	31.9	Very low	167 Å²	167	151.7 Å²	151.7	73%	0.726	78%	0.781	S	S	*	*			trans	-125.1	146.8	-169.7	-61.1	173.5	178.8	172.8	0	112
895	K	29.8	Very low	32	Very low	192 Å²	192	151.7 Å²	151.7	84%	0.835	79%	0.787	S	S	*	*				-148.9	114.5	122.7	-75.5	-156.3	177	173.4	0	108.3
896	F	27.8	Very low	32.1	Very low	189 Å²	189	154.1 Å²	154.1	83%	0.829	79%	0.79	S	S	*	*				67.9	132.6	111	-75	-80.3	0	0	0	115.7
897	R	30.3	Very low	32.1	Very low	237 Å²	237	155.5 Å²	155.5	89%	0.894	79%	0.788	S	S	*	*			cis	163.8	139.1	-38.4	-180	-177.3	-155.1	-175.3	6.5	106.5
898	A	38	Very low	32.8	Very low	97 Å²	97	154.5 Å²	154.5	80%	0.802	79%	0.79	S	S	*	*			trans	-116.6	166.4	-178.7	0	0	0	0	0	114.3
899	R	35.2	Very low	32.8	Very low	227 Å²	227	149.2 Å²	149.2	86%	0.857	79%	0.789	S	S	*	*			trans	-168.4	157	157.6	-121.1	-179.4	175.5	164.5	-0.7	107.4
900	S	36.7	Very low	32.6	Very low	102 Å²	102	150.6 Å²	150.6	71%	0.713	80%	0.795	S	S	*	*			cis	-169.9	168.6	24.5	38	0	0	0	0	108.9
901	N	31.4	Very low	32.6	Very low	128 Å²	128	145.6 Å²	145.6	68%	0.684	79%	0.787	S	S	*	*			cis	-156.4	-155.1	8.4	-135.8	42.9	0	0	0	114.2
902	S	34.5	Very low	33.2	Very low	85 Å²	85	144.1 Å²	144.1	59%	0.594	79%	0.786	S	S	*	*			trans	-59.5	171.2	172.3	54.6	0	0	0	0	117.7
903	T	31.5	Very low	32.9	Very low	131 Å²	131	142.1 Å²	142.1	80%	0.804	79%	0.788	S	S	*	*			cis	-158.3	170.9	36.4	-15.3	0	0	0	0	113.9
904	E	32.1	Very low	33	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	78%	0.784	S	S	*	*			trans	-86.8	161.4	-174.1	-52.9	161.5	127.9	0	0	115.1
905	T	31.3	Very low	32.7	Very low	141 Å²	141	140.4 Å²	140.4	87%	0.865	78%	0.784	S	S	*	*				172	174.6	115.8	34.7	0	0	0	0	114.8
906	L	28.1	Very low	32.7	Very low	164 Å²	164	137.9 Å²	137.9	86%	0.859	79%	0.785	S	S	*	*			trans	-83.8	171.6	-159	-76.4	106	0	0	0	118.8
907	S	30.8	Very low	32.7	Very low	104 Å²	104	132 Å²	132	73%	0.727	78%	0.778	S	S	*	*			trans	-43.2	173.8	165.9	-19	0	0	0	0	116.6
908	P	44.2	Very low	32.6	Very low	130 Å²	130	126.3 Å²	126.3	84%	0.844	77%	0.774	S	S	*	*			cis	-149.2	-164.1	41.5	42.8	-19.3	0	0	0	117.5
909	A	30.9	Very low	32.2	Very low	91 Å²	91	129.2 Å²	129.2	75%	0.752	78%	0.775	S	S	*	*			trans	-82.1	158.3	-171.6	0	0	0	0	0	116.8
910	K	27.9	Very low	31.9	Very low	208 Å²	208	122.9 Å²	122.9	90%	0.904	77%	0.771	S	S	*	*			trans	179.4	151.6	130.7	-101.4	170.5	-176.6	-178.1	0	112.8
911	S	32	Very low	31.6	Very low	109 Å²	109	123.5 Å²	123.5	76%	0.762	78%	0.775	S	S	*	*			trans	-74.2	160.7	163.5	48.1	0	0	0	0	111.2
912	P	43.6	Very low	31.6	Very low	109 Å²	109	122 Å²	122	71%	0.708	78%	0.775	S	S	*	*				-154.1	163.5	101.2	41.8	-24.3	0	0	0	117.7
913	T	29.8	Very low	31.4	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	79%	0.787	S	S	*	*			trans	24	130	146.7	60.4	0	0	0	0	123.6
914	S	29.9	Very low	31.3	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	79%	0.791	S	S	*	*			trans	6.1	129.9	140.2	60.7	0	0	0	0	120.9
915	S	30.6	Very low	31.1	Very low	104 Å²	104	136.8 Å²	136.8	73%	0.727	80%	0.797	S	S	*	*				175.7	136	104.5	58.5	0	0	0	0	113.5
916	T	30.3	Very low	32	Very low	139 Å²	139	134.5 Å²	134.5	85%	0.853	79%	0.785	S	S	*	*			trans	45.9	130.9	146.2	55.7	0	0	0	0	122.1
917	G	27.6	Very low	32.1	Very low	67 Å²	67	136.9 Å²	136.9	69%	0.691	78%	0.784	S	S	*	*			trans	128.8	71.2	137.7	0	0	0	0	0	119.5
918	S	28.4	Very low	32.8	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	78%	0.784	S	S	*	*				49.5	155.4	128.9	-48.6	0	0	0	0	124.1
919	I	29	Very low	31.9	Very low	159 Å²	159	139.8 Å²	139.8	82%	0.815	79%	0.786	S	S	*	*			trans	77.2	91.6	164.1	-44.7	-179.3	0	0	0	114.4
920	A	29.9	Very low	32.2	Very low	94 Å²	94	141.3 Å²	141.3	78%	0.777	79%	0.789	S	S	*	*				80	125.6	65.3	0	0	0	0	0	116.1
921	S	30.4	Very low	32.7	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	78%	0.784	S	S	*	*				164.2	142.4	107.5	-169.2	0	0	0	0	116.6
922	S	30.3	Very low	32.6	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	79%	0.79	S	S	*	*			trans	79.8	142.8	155.9	85.7	0	0	0	0	118.5
923	R	31.1	Very low	32.7	Very low	227 Å²	227	140.8 Å²	140.8	86%	0.857	79%	0.794	S	S	*	*			cis	-138.4	128.3	17.6	-67.3	174.8	175.6	-173	-3.6	111
924	R	30.4	Very low	32.8	Very low	236 Å²	236	142.9 Å²	142.9	89%	0.891	80%	0.8	S	S	*	*				68.3	119.5	90.2	-70.2	-163.9	-172.1	-162.6	3.8	117.9
925	Y	26.2	Very low	33.2	Very low	233 Å²	233	145.5 Å²	145.5	91%	0.914	81%	0.806	S	S	*	*			trans	-130.1	160.7	143.6	-91.4	-89.2	0	0	0	109.3
926	P	51.7	Low	33.3	Very low	93 Å²	93	147.9 Å²	147.9	60%	0.604	81%	0.806	S	S	*	*			trans	-134.3	167.9	-156.9	40.3	-22.6	0	0	0	119
927	Y	29.7	Very low	33.3	Very low	215 Å²	215	150.6 Å²	150.6	84%	0.843	80%	0.8	S	S	*	*			trans	84.4	153.8	158.1	-62.5	-60	0	0	0	119.1
928	P	44.3	Very low	33.4	Very low	112 Å²	112	156.3 Å²	156.3	73%	0.727	81%	0.806	S	S	*	*				-141.3	176.1	-73.3	35.3	-14.2	0	0	0	115.5
929	M	27.1	Very low	33.6	Very low	182 Å²	182	155 Å²	155	90%	0.897	80%	0.803	S	S	*	*			trans	-136.4	155.7	158.2	-92.4	-160.4	-76.7	0	0	112.4
930	P	35.8	Very low	33.6	Very low	124 Å²	124	154.4 Å²	154.4	81%	0.805	80%	0.801	S	S	*	*			trans	-88	167	-178.3	-1.7	23	0	0	0	113.8
931	P	39.3	Very low	33.6	Very low	124 Å²	124	159.7 Å²	159.7	81%	0.805	80%	0.801	S	S	*	*			trans	-104.4	163.3	-163.9	39.5	-35.2	0	0	0	116
932	L	29.5	Very low	33.4	Very low	169 Å²	169	161.8 Å²	161.8	89%	0.885	80%	0.798	S	S	*	*			trans	-104.7	145.1	159.1	-76.4	165.2	0	0	0	109.9
933	P	45.8	Very low	33.2	Very low	121 Å²	121	164 Å²	164	79%	0.786	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-96	167.7	-175.3	37.2	-35.4	0	0	0	115.3
934	D	32.5	Very low	33.1	Very low	166 Å²	166	156.7 Å²	156.7	89%	0.888	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.5	157.1	-163.8	-59	-76	0	0	0	118.7
935	D	38.1	Very low	33.1	Very low	163 Å²	163	156.6 Å²	156.6	87%	0.872	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70	134	163.8	-100.9	-43.3	0	0	0	113.3
936	Q	31.3	Very low	33.2	Very low	155 Å²	155	151.3 Å²	151.3	72%	0.724	78%	0.777	S	S	*	*			trans	-159.4	125.3	149.4	-132.2	-173	79.7	0	0	115.3
937	R	30.8	Very low	32.1	Very low	196 Å²	196	156 Å²	156	74%	0.74	78%	0.783	S	S	*	*			trans	114.2	117.7	143.4	-64.7	172.8	179.2	-166.7	-1.7	119.4
938	K	31.2	Very low	32.2	Very low	186 Å²	186	153.2 Å²	153.2	81%	0.809	78%	0.777	S	S	*	*				70.8	102.6	129.2	-68.6	-175.9	174.7	-175.1	0	120.1
939	A	30.9	Very low	31.6	Very low	90 Å²	90	153.7 Å²	153.7	74%	0.744	78%	0.778	S	S	*	*				83.9	149.1	111	0	0	0	0	0	121.2
940	N	29.2	Very low	31.8	Very low	146 Å²	146	149.8 Å²	149.8	78%	0.781	77%	0.769	S	S	*	*			trans	84.8	103.7	161.4	-75.6	-21.7	0	0	0	120.5
941	R	29.3	Very low	31.8	Very low	204 Å²	204	155.4 Å²	155.4	77%	0.77	79%	0.79	S	S	*	*				74.5	125.6	122.1	-83.5	-171.7	167	173.9	-3.5	120.1
942	Q	27.4	Very low	31.4	Very low	158 Å²	158	157 Å²	157	74%	0.738	79%	0.789	S	S	*	*			trans	70.5	154.5	135.3	-71.4	-177.8	-30.7	0	0	117.2
943	N	26.1	Very low	31.5	Very low	144 Å²	144	156.3 Å²	156.3	77%	0.77	78%	0.784	S	S	*	*			cis	-170.5	159.2	-32.2	-156.1	9.3	0	0	0	105.7
944	A	28.8	Very low	30.7	Very low	74 Å²	74	158.3 Å²	158.3	61%	0.612	78%	0.784	S	S	*	*			trans	72	126.9	168.4	0	0	0	0	0	115.3
945	R	29.8	Very low	30.6	Very low	234 Å²	234	157.8 Å²	157.8	88%	0.883	78%	0.778	S	S	*	*				79	145	88.4	-74.8	-173.8	-179	-179.4	-0.8	113.2
946	L	30	Very low	30.1	Very low	121 Å²	121	157.5 Å²	157.5	63%	0.634	77%	0.772	S	S	*	*			cis	-174.9	170.5	-19.7	-150.1	137.3	0	0	0	105.6
947	W	28.4	Very low	30.1	Very low	193 Å²	193	157.7 Å²	157.7	73%	0.731	78%	0.775	S	S	*	*			trans	78.7	121.8	175.4	-55.3	96.3	0	0	0	114
948	E	30.7	Very low	30	Very low	155 Å²	155	154.9 Å²	154.9	72%	0.724	78%	0.777	S	S	*	*				57.9	133	90.2	-64.4	-172.5	-174.9	0	0	112.2
949	T	31.1	Very low	29.9	Very low	122 Å²	122	152.5 Å²	152.5	75%	0.748	78%	0.775	S	S	*	*			cis	-149.1	165.2	47.6	49.1	0	0	0	0	114.5
950	S	31.1	Very low	29.9	Very low	100 Å²	100	157.8 Å²	157.8	70%	0.699	78%	0.778	S	S	*	*			trans	-23.6	140.7	157.4	55.1	0	0	0	0	118.1
951	I	36.5	Very low	29.9	Very low	242 Å²	242	158.8 Å²	158.8	100%	1.241	78%	0.777	S	S	*	*				-139.7	0	98.4	-89.9	158.9	0	0	0	107.5

Retrieved 951 of 951 residues in 3317.2 ms (Link to these results)

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