A0A068FL15_ARATH Loading...

alpha,alpha-trehalose-phosphate synthase (UDP-forming)

AlphaFold DB (Q0WUI9), UniProt , Accession A0A068FL15, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene n/a, Length 856 aa.

						>A0A068FL15_ARATH|A0A068FL15
MVSRSCANFLDLSSWDLLDFPQTPRTLPRVMTVPGIITDVDGDTTSEVTSTSGGSRERKIIVANMLPLQSKRDAETGKWCFNWDEDSLQLQLRDGFSSETEFLYVGSLNVDIETNEQEEVSQKLLEEFNCVATFLSQELQEMFYLGFCKHQLWPLFHYMLPMFPDHGDRFDRRLWQAYVSANKIFSDRVMEVINPEDDYVWIQDYHLMVLPTFLRKRFNRIKLGFFLHSPFPSSEIYRTLPVRDEILRGLLNCDLIGFHTFDYARHFLSCCSRMLGLDYESKRGHIGLDYFGRTVYIKILPVGVHMGRLESVLSLDSTAAKTKEIQEQFKGKKLVLGIDDMDIFKGISLKLIAMEHLFETYWHLKGKVVLVQIVNPARSSGKDVEEAKRETYETARRINERYGTSDYKPIVLIDRLVPRSEKTAYYAAADCCLVNAVRDGMNLVPYKYIVCRQGTRSNKAVVDSSPRTSTLVVSEFIGCSPSLSGAIRVNPWDVDAVAEAVNSALKMSETEKQLRHEKHYHYISTHDVGYWAKSFMQDLERACRDHYSKRCWGIGFGLGFRVLSLSPSFRKLSVEHIVPVYRKTQRRAIFLDYDGTLVPESSIVQDPSNEVVSVLKALCEDPNNTVFIVSGRGRESLSNWLSPCENLGIAAEHGYFIRWKSKDEWETCYSPTDTEWRSMVEPVMRSYMEATDGTSIEFKESALVWHHQDADPDFGSCQAKEMLDHLESVLANEPVVVKRGQHIVEVKPQGVSKGLAAEKVIREMVERGEPPEMVMCIGDDRSDEDMFESILSTVTNPELLVQPEVFACTVGRKPSKAKYFLDDEADVLKLLRGLGDSSSSLKPSSSHTQVAFESIV
					

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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	31.2	Very low	25.9	Very low	245 Å²	245	158.6 Å²	158.6	100%	1.207	86%	0.859	S	S	*	*				0	73.2	0	-57.2	178.5	-168	0	0	108.5
2	V	29.1	Very low	25.8	Very low	145 Å²	145	160.3 Å²	160.3	88%	0.879	87%	0.866	S	S	*	*			trans	-153.7	143.1	-163.7	173.8	0	0	0	0	106.1
3	S	28.9	Very low	25.9	Very low	85 Å²	85	156.8 Å²	156.8	59%	0.594	86%	0.861	S	S	*	*			cis	-133.5	166.6	-8.1	-164.7	0	0	0	0	107.7	S5	S3-S5 PolarHBondContact OG-N 3.05Å
4	R	23.6	Very low	25.6	Very low	253 Å²	253	153.2 Å²	153.2	96%	0.955	85%	0.852	S	S	*	*			cis	86.2	10.6	12.9	-93.4	-169.1	175.8	-122.4	-4.3	120.8
5	S	24	Very low	25.6	Very low	95 Å²	95	160.2 Å²	160.2	66%	0.664	86%	0.861	S	S	*	*			trans	-152.5	137.3	159.3	49.3	0	0	0	0	108.8	S3	S3-S5 PolarHBondContact OG-N 3.05Å
6	C	26.5	Very low	25.4	Very low	131 Å²	131	159.9 Å²	159.9	89%	0.885	86%	0.859	S	S	*	*			cis	-128.1	117	26.8	-60.9	0	0	0	0	113.7
7	A	24.3	Very low	25.5	Very low	91 Å²	91	159.9 Å²	159.9	75%	0.752	86%	0.858	S	S	*	*			trans	-142.2	94.5	162.8	0	0	0	0	0	107.9
8	N	23.5	Very low	25.6	Very low	160 Å²	160	160.3 Å²	160.3	86%	0.856	86%	0.859	S	S	*	*			trans	176.3	81.1	164.9	-95.5	-12.6	0	0	0	110.5
9	F	26.1	Very low	25.4	Very low	217 Å²	217	158.8 Å²	158.8	95%	0.952	85%	0.851	S	S	*	*	S	Bend	trans	-152.3	22.6	156.6	-100.2	-64.2	0	0	0	111.6
10	L	25	Very low	25.4	Very low	168 Å²	168	160.3 Å²	160.3	88%	0.88	85%	0.849	S	S	*	*	S	Bend	trans	-133.4	56.5	-177.6	-73.5	173.7	0	0	0	110.4
11	D	22.9	Very low	25.5	Very low	155 Å²	155	157.7 Å²	157.7	83%	0.829	84%	0.842	S	S	*	*			trans	-174.1	101.8	151.5	-107.4	-23.4	0	0	0	109.9
12	L	25.1	Very low	25.4	Very low	179 Å²	179	155.3 Å²	155.3	94%	0.937	83%	0.827	S	S	*	*	S	Bend	trans	-162.8	33	161.7	-118.9	179.8	0	0	0	114.9
13	S	26.8	Very low	25.3	Very low	115 Å²	115	154.5 Å²	154.5	80%	0.804	82%	0.823	S	S	*	*			trans	-162.2	71.9	162.5	65.4	0	0	0	0	112.3
14	S	22.2	Very low	25.3	Very low	106 Å²	106	156 Å²	156	74%	0.741	83%	0.831	S	S	*	*			trans	-75	135.6	147.9	50.2	0	0	0	0	108.3
15	W	24.2	Very low	25.6	Very low	258 Å²	258	155.6 Å²	155.6	98%	0.977	83%	0.829	S	S	*	*			trans	-161.2	130.1	152.1	-100.1	11.5	0	0	0	107.4
16	D	23.4	Very low	25.7	Very low	156 Å²	156	157.6 Å²	157.6	83%	0.834	84%	0.838	S	S	*	*			trans	-72.4	141.2	-179.5	-47.6	-88.4	0	0	0	111
17	L	26.3	Very low	25.8	Very low	160 Å²	160	159 Å²	159	84%	0.838	84%	0.836	S	S	*	*			trans	172.6	101	140.2	-97	160	0	0	0	111.5
18	L	28	Very low	25.9	Very low	166 Å²	166	160.4 Å²	160.4	87%	0.869	84%	0.837	S	S	*	*				168.1	116.3	117.4	-89.4	165.5	0	0	0	110.7
19	D	22.3	Very low	26.1	Very low	133 Å²	133	164.4 Å²	164.4	71%	0.711	84%	0.84	S	S	*	*			trans	-89.1	164.9	174.2	-86.5	-58.6	0	0	0	112.9
20	F	24.9	Very low	26.2	Very low	187 Å²	187	159.3 Å²	159.3	82%	0.82	83%	0.826	S	S	*	*			trans	76.4	158.8	160.1	-51.9	-61.7	0	0	0	118.9
21	P	26.9	Very low	26.3	Very low	106 Å²	106	159 Å²	159	69%	0.688	82%	0.822	S	S	*	*			cis	-118.7	160.8	-9.1	21.7	-0.4	0	0	0	114.5
22	Q	28.9	Very low	26.5	Very low	195 Å²	195	157.8 Å²	157.8	91%	0.911	82%	0.821	S	S	*	*			trans	-77.3	127.7	157.3	-66.8	179.1	-7.7	0	0	109.7
23	T	27.4	Very low	26.7	Very low	129 Å²	129	154 Å²	154	79%	0.791	81%	0.805	S	S	*	*			trans	-138.7	148.7	159.9	36.5	0	0	0	0	111.4
24	P	30.3	Very low	26.8	Very low	116 Å²	116	154.2 Å²	154.2	75%	0.753	80%	0.803	S	S	*	*			trans	-108.6	147.9	-160.8	38.4	-31.3	0	0	0	114.3
25	R	29	Very low	27.1	Very low	245 Å²	245	152.4 Å²	152.4	93%	0.925	80%	0.801	S	S	*	*			trans	-158.6	147.4	137.8	-109.7	155.2	-168	-172.8	3.3	112.4
26	T	25.6	Very low	27.1	Very low	136 Å²	136	147.7 Å²	147.7	83%	0.834	79%	0.794	S	S	*	*			trans	-70.3	123.3	-175.3	45.2	0	0	0	0	112.3
27	L	28.2	Very low	27.6	Very low	162 Å²	162	147.1 Å²	147.1	85%	0.848	79%	0.789	S	S	*	*			trans	-113.6	147	157.9	-72.7	171.2	0	0	0	109
28	P	26.7	Very low	27.6	Very low	119 Å²	119	144.8 Å²	144.8	77%	0.773	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-67.4	152.5	-172.2	26.7	-34.3	0	0	0	112.7	V30	P28-V30 PolarHBondContact O-N 2.67Å
29	R	28.5	Very low	27.5	Very low	245 Å²	245	144 Å²	144	93%	0.925	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-59.4	118	-175.7	-73.9	177.4	170.4	169.5	-4.5	111.9	M31	R29-M31 PolarHBondContact O-N 2.68Å
30	V	27.7	Very low	27.9	Very low	109 Å²	109	143.6 Å²	143.6	66%	0.661	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-61.8	120.2	161.1	176.2	0	0	0	0	108.6	P28 T32	P28-V30 PolarHBondContact O-N 2.67Å; V30-T32 PolarHBondContact O-N 3.29Å
31	M	27.3	Very low	28.1	Very low	161 Å²	161	142.5 Å²	142.5	79%	0.793	78%	0.783	S	S	*	*			trans	-77.4	100.6	173.3	-80.5	-173.4	62	0	0	110.7	R29 V33	R29-M31 PolarHBondContact O-N 2.68Å; M31-V33 HydrophobicContact CE-CG2 3.77Å; M31-V33 PolarHBondContact O-N 2.76Å
32	T	26.8	Very low	28.2	Very low	131 Å²	131	140.8 Å²	140.8	80%	0.804	78%	0.784	S	S	*	*			trans	-78.5	90.8	163.6	52.7	0	0	0	0	109.6	V30	V30-T32 PolarHBondContact O-N 3.29Å
33	V	30.1	Very low	28.1	Very low	100 Å²	100	139.5 Å²	139.5	61%	0.606	78%	0.784	S	S	*	*			trans	-131.4	122.5	171.6	-178.2	0	0	0	0	109.1	M31 G35	M31-V33 HydrophobicContact CE-CG2 3.77Å; M31-V33 PolarHBondContact O-N 2.76Å; V33-G35 PolarHBondContact O-N 2.69Å
34	P	27.5	Very low	28.2	Very low	118 Å²	118	139.4 Å²	139.4	77%	0.766	78%	0.784	S	S	*	*			trans	-72	110.1	168.3	29.5	-31	0	0	0	108.7	I36	P34-I36 PolarHBondContact O-N 2.88Å; P34-I36 VanDerWaalsContact O-N 3.12Å
35	G	28.6	Very low	28.1	Very low	68 Å²	68	141 Å²	141	70%	0.701	79%	0.791	S	S	*	*			trans	-64.5	110.7	-178.3	0	0	0	0	0	112.3	V33 I37	V33-G35 PolarHBondContact O-N 2.69Å; G35-I37 PolarHBondContact O-N 3.09Å
36	I	25.5	Very low	28	Very low	159 Å²	159	133.8 Å²	133.8	82%	0.815	78%	0.779	S	S	*	*			trans	-71.2	111.7	162.8	-61.7	172.5	0	0	0	106.7	P34	P34-I36 PolarHBondContact O-N 2.88Å; P34-I36 VanDerWaalsContact O-N 3.12Å
37	I	32.7	Very low	28.1	Very low	144 Å²	144	136.6 Å²	136.6	74%	0.738	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-86	123.5	165.5	-61.1	176	0	0	0	106.4	G35	G35-I37 PolarHBondContact O-N 3.09Å
38	T	27.1	Very low	28.2	Very low	111 Å²	111	134.9 Å²	134.9	68%	0.681	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-81.8	118.1	172	47.2	0	0	0	0	109.4	V40	T38-V40 PolarHBondContact O-N 2.93Å
39	D	26.1	Very low	28.1	Very low	149 Å²	149	135.3 Å²	135.3	80%	0.797	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.5	121.1	169.5	-60.7	-44	0	0	0	109.2
40	V	30.8	Very low	28.2	Very low	125 Å²	125	128.2 Å²	128.2	76%	0.758	77%	0.767	S	S	*	*			trans	-137.3	100.2	168.4	178.7	0	0	0	0	107.2	T38	T38-V40 PolarHBondContact O-N 2.93Å
41	D	28	Very low	28.1	Very low	165 Å²	165	129.8 Å²	129.8	88%	0.882	78%	0.777	S	S	*	*			trans	-63.8	137	166.5	-67.6	-60.3	0	0	0	109.7
42	G	29.7	Very low	28.2	Very low	69 Å²	69	126.9 Å²	126.9	71%	0.711	77%	0.772	S	S	*	*			trans	-173.5	89.6	-176.1	0	0	0	0	0	113.1	T44	G42-T44 PolarHBondContact O-N 2.95Å
43	D	26.7	Very low	28.4	Very low	168 Å²	168	124.2 Å²	124.2	90%	0.898	77%	0.771	S	S	*	*			trans	-58	120.1	166.6	-92.5	-46.4	0	0	0	110.7
44	T	29.6	Very low	28.5	Very low	128 Å²	128	122.8 Å²	122.8	79%	0.785	78%	0.776	S	S	*	*			trans	-161.5	111	147.8	-4.8	0	0	0	0	112	G42 S46	G42-T44 PolarHBondContact O-N 2.95Å; T44-S46 PolarHBondContact O-N 3.41Å
45	T	27.3	Very low	29.7	Very low	149 Å²	149	121.1 Å²	121.1	91%	0.914	77%	0.767	S	S	*	*			trans	-66.4	112.8	166.1	50	0	0	0	0	110
46	S	28.5	Very low	31.4	Very low	94 Å²	94	126 Å²	126	66%	0.657	76%	0.764	S	S	*	*			trans	-144.3	141.7	167.4	55.4	0	0	0	0	111	T44 V48	T44-S46 PolarHBondContact O-N 3.41Å; S46-V48 PolarHBondContact O-N 2.86Å
47	E	26.2	Very low	34	Very low	194 Å²	194	121.9 Å²	121.9	91%	0.907	74%	0.742	S	S	*	*			trans	-78.8	89.5	-169.8	-63.2	177.2	126.3	0	0	111.5	T49	E47-T49 PolarHBondContact O-N 2.61Å
48	V	31.7	Very low	36.9	Very low	127 Å²	127	117.5 Å²	117.5	77%	0.77	72%	0.716	S	S	*	*			trans	-77.5	103.6	172.2	-177.3	0	0	0	0	109.4	S46 S50	S46-V48 PolarHBondContact O-N 2.86Å; V48-S50 PolarHBondContact O-N 3.47Å
49	T	24.4	Very low	40.1	Very low	128 Å²	128	112.4 Å²	112.4	79%	0.785	68%	0.684	S	S	*	*			trans	-63.9	94.7	170.5	52.2	0	0	0	0	110.1	E47 T51	E47-T49 PolarHBondContact O-N 2.61Å; T49-T51 PolarHBondContact O-N 3.16Å; T49-T51 VanDerWaalsContact O-N 3.14Å
50	S	29.7	Very low	43.5	Very low	96 Å²	96	105.3 Å²	105.3	67%	0.671	65%	0.646	S	S	*	*			trans	-66.4	110.6	177.6	55.7	0	0	0	0	110.5	V48 S52	V48-S50 PolarHBondContact O-N 3.47Å; S50-S52 PolarHBondContact O-N 3.29Å
51	T	24.8	Very low	46.8	Very low	142 Å²	142	99.4 Å²	99.4	87%	0.871	61%	0.611	S	S	*	*			trans	-70.6	81.3	164.8	48.9	0	0	0	0	108.8	T49 G53	T49-T51 PolarHBondContact O-N 3.16Å; T49-T51 VanDerWaalsContact O-N 3.14Å; T51-G53 PolarHBondContact O-N 2.91Å
52	S	30.4	Very low	50.1	Low	100 Å²	100	91.6 Å²	91.6	70%	0.699	57%	0.569	S	S	*	*			trans	-69.9	90.1	-179.5	55.3	0	0	0	0	110.6	S50 G54	S50-S52 PolarHBondContact O-N 3.29Å; S52-G54 VanDerWaalsContact C-N 3.34Å; S52-G54 PolarHBondContact O-N 3.31Å
53	G	30.6	Very low	53.4	Low	75 Å²	75	88.5 Å²	88.5	77%	0.773	54%	0.537	S	S	*	.			trans	-58.8	103.3	152	0	0	0	0	0	107.2	T51 S55	T51-G53 PolarHBondContact O-N 2.91Å; G53-S55 PolarHBondContact O-N 3.04Å
54	G	33.7	Very low	56.7	Low	69 Å²	69	81 Å²	81	71%	0.711	50%	0.496	S	S	*	.			trans	-64.9	100.5	-171.7	0	0	0	0	0	111.2	S52 R56	S52-G54 VanDerWaalsContact C-N 3.34Å; S52-G54 PolarHBondContact O-N 3.31Å; G54-R56 PolarHBondContact O-N 2.86Å; G54-R56 VanDerWaalsContact O-N 3.08Å
55	S	50.8	Low	59.8	Low	83 Å²	83	78.2 Å²	78.2	58%	0.58	48%	0.475	S	S	*	.			trans	-57.9	112.9	168.4	-172.4	0	0	0	0	107.9	G53 E57	G53-S55 PolarHBondContact O-N 3.04Å; S55-E57 PolarHBondContact O-N 3.17Å
56	R	64.7	Low	63.1	Low	171 Å²	171	71.7 Å²	71.7	65%	0.645	44%	0.435	S	S	*	.			trans	-70.3	120.4	175.4	-77.2	-175.7	173.8	172.9	-4.1	107.8	G54 R58	G54-R56 PolarHBondContact O-N 2.86Å; G54-R56 VanDerWaalsContact O-N 3.08Å; R56-R58 PolarHBondContact O-N 2.84Å
57	E	81	Confident	66.3	Low	73 Å²	73	67.3 Å²	67.3	34%	0.341	40%	0.404	S	S	.	.			trans	-63.2	115.1	178.4	-169.6	-179.9	-128.2	0	0	109.5	S55 K59 T100 E101 Y199	S55-E57 PolarHBondContact O-N 3.17Å; E57-K59 VanDerWaalsContact OE2-CE 3.22Å; E57-K59 WeakPolarHBondContact OE2-CE 3.19Å; E57-K59 IonicContact OE2-NZ 2.94Å; E57-K59 PolarHBondContact OE2-NZ 2.96Å; E57-T100 WeakPolarHBondContact O-CG2 3.49Å; E57-E101 PolarHBondContact O-N 3.38Å; E57-E101 VanDerWaalsContact O-N 3.08Å; E57-Y199 HydrophobicContact CG-CD2 4.23Å; E57-Y199 HydrophobicContact CG-CE2 4.03Å; E57-Y199 VanDerWaalsContact OE1-CE2 3.27Å; E57-Y199 WeakPolarHBondContact OE1-CE2 3.3Å
58	R	92.9	Very high	69.6	Low	52 Å²	52	58.5 Å²	58.5	20%	0.196	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.2	-171.8	-175.6	170.8	75.2	152.9	10.4	111.3	R56 E101 V192 D198 Y199	R56-R58 PolarHBondContact O-N 2.84Å; R58-E101 CarbonylContact C-O 3.54Å; R58-E101 WeakPolarHBondContact CA-O 3.37Å; R58-E101 HydrophobicContact CB-CB 4.1Å; R58-E101 WeakPolarHBondContact CD-OE1 2.92Å; R58-E101 HydrophobicContact CG-CB 3.96Å; R58-E101 HydrophobicContact CG-CG 4.06Å; R58-E101 IonicContact NH1-OE1 3.45Å; R58-V192 PolarHBondContact NH2-O 3.38Å; R58-D198 WeakPolarHBondContact CB-OD1 3.45Å; R58-D198 IonicContact CZ-OD1 2.6Å; R58-D198 IonicContact CZ-OD2 3.91Å; R58-D198 IonicContact NE-OD1 2.69Å; R58-D198 PolarHBondContact NE-OD1 2.95Å; R58-D198 IonicContact NE-OD2 3.12Å; R58-D198 PolarHBondContact NE-OD2 2.91Å; R58-D198 IonicContact NH2-OD1 3.74Å; R58-D198 PolarHBondContact NH2-OD1 3.41Å; R58-D198 IonicContact NH2-OD2 2.86Å; R58-D198 PolarHBondContact NH2-OD2 3.27Å; R58-Y199 PolarHBondContact O-N 3.45Å
59	K	95.4	Very high	72.4	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.013	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116.1	-171.7	-74.5	156.4	-167.6	163.8	0	109.9	E57 F96 T100 E101 F102 L103 Y199 M536	E57-K59 VanDerWaalsContact OE2-CE 3.22Å; E57-K59 WeakPolarHBondContact OE2-CE 3.19Å; E57-K59 IonicContact OE2-NZ 2.94Å; E57-K59 PolarHBondContact OE2-NZ 2.96Å; K59-F96 HydrophobicContact CD-CE1 4.39Å; K59-T100 HydrophobicContact CD-CG2 3.69Å; K59-E101 PolarHBondContact N-O 3.02Å; K59-F102 HydrophobicContact CB-CD1 4.05Å; K59-F102 HydrophobicContact CB-CE1 3.77Å; K59-F102 HydrophobicContact CB-CZ 4.19Å; K59-F102 HydrophobicContact CD-CE1 4.26Å; K59-F102 HydrophobicContact CD-CZ 3.9Å; K59-F102 WeakPolarHBondContact O-CA 3.08Å; K59-L103 PolarHBondContact O-N 3.02Å; K59-L103 VanDerWaalsContact O-N 3.11Å; K59-Y199 WeakPolarHBondContact CA-O 3.35Å; K59-M536 HydrophobicContact CD-CE 3.9Å; K59-M536 HydrophobicContact CD-CG 4.17Å; K59-M536 HydrophobicContact CD-SD 4Å; K59-M536 HydrophobicContact CG-CE 4Å; K59-M536 HydrophobicContact CG-SD 4.13Å
60	I	97.5	Very high	75.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111	179.1	-58.3	-179.8	0	0	0	108.3	V62 L103 V105 V192 I193 D198 Y199 V200 W201	I60-V62 HydrophobicContact CG2-CG2 3.92Å; I60-L103 CarbonylContact C-O 3.57Å; I60-L103 WeakPolarHBondContact CA-O 3.47Å; I60-L103 HydrophobicContact CG1-CD2 4.37Å; I60-L103 HydrophobicContact CG2-CD2 4.02Å; I60-V105 HydrophobicContact CG2-CG2 3.81Å; I60-V192 HydrophobicContact CD1-CG2 4.43Å; I60-I193 HydrophobicContact CD1-CB 3.81Å; I60-I193 HydrophobicContact CD1-CD1 4.25Å; I60-I193 HydrophobicContact CD1-CG1 3.75Å; I60-D198 HydrophobicContact CD1-CB 4.26Å; I60-Y199 PolarHBondContact N-O 2.92Å; I60-V200 HydrophobicContact CB-CG1 4.45Å; I60-V200 HydrophobicContact CB-CG2 4.32Å; I60-V200 HydrophobicContact CD1-CG2 4.48Å; I60-V200 HydrophobicContact CG2-CG1 4.38Å; I60-V200 WeakPolarHBondContact O-CA 3.35Å; I60-W201 PolarHBondContact O-N 2.87Å
61	I	98.1	Very high	78.5	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.1	177.3	-52	-55.9	0	0	0	108.6	Q89 L92 F102 L103 Y104 V105 W201 Q203	I61-Q89 HydrophobicContact CG2-CB 4.29Å; I61-Q89 HydrophobicContact CG2-CG 4.22Å; I61-L92 HydrophobicContact CD1-CD1 3.98Å; I61-L92 HydrophobicContact CD1-CD2 4.46Å; I61-L92 HydrophobicContact CG1-CD1 4.25Å; I61-L92 HydrophobicContact CG2-CD2 4.42Å; I61-F102 HydrophobicContact CD1-CD1 4.32Å; I61-F102 HydrophobicContact CD1-CE1 4.2Å; I61-F102 HydrophobicContact CG1-CD1 3.93Å; I61-F102 HydrophobicContact CG1-CE1 4.29Å; I61-L103 PolarHBondContact N-O 2.89Å; I61-Y104 HydrophobicContact CB-CD1 3.77Å; I61-Y104 HydrophobicContact CB-CE1 3.96Å; I61-Y104 HydrophobicContact CG1-CD1 4.26Å; I61-Y104 HydrophobicContact CG1-CE1 3.96Å; I61-Y104 HydrophobicContact CG2-CD1 4.24Å; I61-Y104 HydrophobicContact CG2-CE1 4.39Å; I61-Y104 WeakPolarHBondContact O-CA 3.46Å; I61-V105 PolarHBondContact O-N 3.08Å; I61-W201 HydrophobicContact CD1-CB 3.98Å; I61-W201 HydrophobicContact CD1-CD2 4.5Å; I61-W201 HydrophobicContact CD1-CE3 3.98Å; I61-Q203 HydrophobicContact CG2-CG 4.13Å
62	V	98.5	Very high	81.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.6	-175.9	-166	0	0	0	0	109.2	I60 V105 V189 V200 W201 I202 Q203 L207 L210	I60-V62 HydrophobicContact CG2-CG2 3.92Å; V62-V105 WeakPolarHBondContact CA-O 3.16Å; V62-V105 HydrophobicContact CG1-CB 4.2Å; V62-V105 HydrophobicContact CG1-CG1 4.47Å; V62-V105 HydrophobicContact CG2-CB 4.39Å; V62-V189 HydrophobicContact CB-CG2 4.49Å; V62-V189 HydrophobicContact CG1-CG2 4.02Å; V62-V189 HydrophobicContact CG2-CG2 3.57Å; V62-V200 HydrophobicContact CG2-CG1 3.45Å; V62-V200 VanDerWaalsContact CG2-CG1 3.45Å; V62-W201 PolarHBondContact N-O 3.37Å; V62-I202 HydrophobicContact CB-CG1 4.29Å; V62-I202 HydrophobicContact CG2-CG1 4.44Å; V62-I202 CarbonylContact O-C 3.51Å; V62-I202 WeakPolarHBondContact O-CA 3.23Å; V62-Q203 PolarHBondContact O-N 2.95Å; V62-L207 HydrophobicContact CG1-CD1 3.86Å; V62-L210 HydrophobicContact CG1-CD1 3.93Å
63	A	97.8	Very high	84.2	Confident	5 Å²	5	48.4 Å²	48.4	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.7	-176.9	0	0	0	0	0	111	M65 Q89 V105 G106 Q203	A63-M65 PolarHBondContact O-N 2.91Å; A63-Q89 HydrophobicContact CB-CG 3.91Å; A63-V105 PolarHBondContact N-O 2.98Å; A63-G106 WeakPolarHBondContact O-CA 3.14Å; A63-Q203 HydrophobicContact CB-CB 4.03Å; A63-Q203 HydrophobicContact CB-CG 4.15Å
64	N	96.5	Very high	86.8	Confident	9 Å²	9	49.9 Å²	49.9	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	-38.8	178.6	-169.5	85.5	0	0	0	112.7	S107 F143 H206	N64-S107 WeakPolarHBondContact O-CB 3.35Å; N64-S107 PolarHBondContact O-N 3.28Å; N64-F143 WeakPolarHBondContact OD1-CE1 3.22Å; N64-F143 WeakPolarHBondContact OD1-CZ 3.42Å; N64-H206 HydrophobicContact CB-CB 3.89Å
65	M	95.4	Very high	89.2	Confident	70 Å²	70	55.7 Å²	55.7	35%	0.345	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142	178.9	-50.5	-54.6	-60.9	0	0	110.4	A63 S107 L108 N109	A63-M65 PolarHBondContact O-N 2.91Å; M65-S107 CarbonylContact C-O 3.03Å; M65-S107 WeakPolarHBondContact CA-O 3.42Å; M65-L108 VanDerWaalsContact CE-C 3.49Å; M65-L108 VanDerWaalsContact CE-O 3.24Å; M65-L108 WeakPolarHBondContact CE-O 3.28Å; M65-N109 HydrophobicContact CE-CB 4.08Å
66	L	96.9	Very high	90.8	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.063	28%	0.278	C	S	.	.			trans	-65.2	151.6	163.9	-74	172.2	0	0	0	110.7	L68 G106 S107 L108 L124 C130	L66-L68 HydrophobicContact CB-CB 4.44Å; L66-L68 HydrophobicContact CB-CD1 4.27Å; L66-L68 HydrophobicContact CB-CG 4.25Å; L66-L68 HydrophobicContact CD1-CD1 4.26Å; L66-L68 PolarHBondContact O-N 3.17Å; L66-G106 WeakPolarHBondContact CG-O 3.45Å; L66-S107 PolarHBondContact N-O 3.14Å; L66-L108 HydrophobicContact CD1-CD2 3.82Å; L66-L108 HydrophobicContact CD1-CG 4.4Å; L66-L124 HydrophobicContact CD1-CD1 4.48Å; L66-C130 HydrophobicContact CD1-CB 4.03Å; L66-C130 HydrophobicContact CD2-CB 3.93Å
67	P	95.7	Very high	91.6	Very high	3 Å²	3	50 Å²	50	2%	0.019	27%	0.265	C	S	.	.	S	Bend	trans	-75.9	45.7	177.1	35.2	-40.1	0	0	0	112.8	W83 D84 S87 Q89 L90 Y104	P67-W83 HydrophobicContact CG-CE3 4.18Å; P67-W83 HydrophobicContact CG-CZ3 3.78Å; P67-D84 PolarHBondContact O-N 2.92Å; P67-S87 WeakPolarHBondContact CB-OG 3.37Å; P67-Q89 HydrophobicContact CB-CB 4.35Å; P67-L90 HydrophobicContact CB-CB 4.01Å; P67-Y104 HydrophobicContact CG-CD1 3.95Å; P67-Y104 HydrophobicContact CG-CD2 4.22Å; P67-Y104 HydrophobicContact CG-CE1 4.32Å; P67-Y104 HydrophobicContact CG-CG 3.91Å
68	L	95.2	Very high	91.9	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.7	-169.7	-62	177.6	0	0	0	112.5	L66 N82 W83 L124 F128 C130	L66-L68 HydrophobicContact CB-CB 4.44Å; L66-L68 HydrophobicContact CB-CD1 4.27Å; L66-L68 HydrophobicContact CB-CG 4.25Å; L66-L68 HydrophobicContact CD1-CD1 4.26Å; L66-L68 PolarHBondContact O-N 3.17Å; L68-N82 CarbonylContact C-O 3.58Å; L68-N82 WeakPolarHBondContact CA-O 3.41Å; L68-W83 HydrophobicContact CD2-CD2 4.13Å; L68-W83 HydrophobicContact CD2-CE3 3.79Å; L68-W83 HydrophobicContact CD2-CZ3 4.2Å; L68-L124 HydrophobicContact CD1-CD2 3.45Å; L68-L124 VanDerWaalsContact CD1-CD2 3.45Å; L68-F128 HydrophobicContact CD1-CG 4.48Å; L68-F128 HydrophobicContact CD2-CB 4.45Å; L68-F128 HydrophobicContact CD2-CD1 3.55Å; L68-F128 HydrophobicContact CD2-CE1 4.03Å; L68-F128 HydrophobicContact CD2-CG 4.09Å; L68-C130 HydrophobicContact CD1-CB 4.13Å
69	Q	91.2	Very high	91.8	Very high	70 Å²	70	50.4 Å²	50.4	33%	0.327	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.4	166.6	-55.8	-168.2	3.5	0	0	109.6	N82 D84	Q69-N82 PolarHBondContact N-O 2.89Å; Q69-N82 PolarHBondContact O-N 2.9Å; Q69-N82 VanDerWaalsContact O-N 3.13Å; Q69-D84 HydrophobicContact CG-CB 3.84Å; Q69-D84 PolarHBondContact NE2-OD1 2.99Å
70	S	91.8	Very high	91.6	Very high	8 Å²	8	52.6 Å²	52.6	6%	0.056	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.7	177.2	-39.9	0	0	0	0	111.5	N109 V110	S70-N109 WeakPolarHBondContact CB-OD1 3.13Å; S70-N109 PolarHBondContact N-OD1 3.38Å; S70-N109 PolarHBondContact OG-OD1 2.92Å; S70-V110 VanDerWaalsContact CB-CG2 3.48Å
71	K	90.1	Very high	91.4	Very high	133 Å²	133	53.2 Å²	53.2	58%	0.578	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.8	170.4	-62.9	-179.6	-176	172.1	0	109.9	C80	K71-C80 PolarHBondContact N-O 3.05Å; K71-C80 PolarHBondContact O-N 3.44Å
72	R	88.8	Confident	91.2	Very high	111 Å²	111	57.8 Å²	57.8	42%	0.419	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.4	166.6	-149.6	171.9	-166	166.7	5.2	107.9	G77 W79 E113 E116	R72-G77 WeakPolarHBondContact CG-O 3.32Å; R72-G77 PolarHBondContact NE-O 3.13Å; R72-W79 HydrophobicContact CB-CD2 4.22Å; R72-W79 HydrophobicContact CB-CE3 3.92Å; R72-W79 HydrophobicContact CB-CH2 3.93Å; R72-W79 HydrophobicContact CB-CZ2 4.2Å; R72-W79 HydrophobicContact CB-CZ3 3.76Å; R72-W79 HydrophobicContact CG-CD2 4.08Å; R72-W79 HydrophobicContact CG-CE3 4.31Å; R72-W79 HydrophobicContact CG-CH2 4.33Å; R72-W79 HydrophobicContact CG-CZ2 4.08Å; R72-W79 HydrophobicContact CG-CZ3 4.43Å; R72-E113 IonicContact CZ-OE1 2.69Å; R72-E113 IonicContact NH1-OE1 2.77Å; R72-E113 PolarHBondContact NH1-OE1 2.82Å; R72-E113 IonicContact NH2-OE1 2.75Å; R72-E113 PolarHBondContact NH2-OE1 2.67Å; R72-E116 IonicContact CZ-OE1 2.83Å; R72-E116 IonicContact CZ-OE2 3.19Å; R72-E116 IonicContact NE-OE1 2.87Å; R72-E116 IonicContact NH2-OE1 2.78Å; R72-E116 PolarHBondContact NH2-OE1 3.04Å; R72-E116 IonicContact NH2-OE2 2.62Å; R72-E116 PolarHBondContact NH2-OE2 3.46Å; R72-E116 VanDerWaalsContact NH2-OE2 3.13Å
73	D	86.6	Confident	90.9	Very high	59 Å²	59	61.3 Å²	61.3	32%	0.316	32%	0.322	S	S	.	.			trans	-74.5	134.1	179.3	179.8	-92	0	0	0	110.4	E75 T76 G77 K78	D73-E75 PolarHBondContact OD1-N 2.67Å; D73-E75 VanDerWaalsContact OD1-N 3.09Å; D73-T76 WeakPolarHBondContact CB-OG1 3Å; D73-T76 VanDerWaalsContact CG-OG1 3.28Å; D73-T76 WeakPolarHBondContact OD1-CB 3.23Å; D73-T76 PolarHBondContact OD1-N 3.36Å; D73-T76 PolarHBondContact OD1-OG1 2.99Å; D73-G77 WeakPolarHBondContact O-CA 3.22Å; D73-G77 PolarHBondContact O-N 2.95Å; D73-K78 WeakPolarHBondContact CB-O 3.33Å; D73-K78 PolarHBondContact N-O 3.23Å
74	A	84.2	Confident	90.6	Very high	106 Å²	106	62.9 Å²	62.9	88%	0.876	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.1	-169.9	0	0	0	0	0	114.2
75	E	83.6	Confident	90.2	Very high	191 Å²	191	66.6 Å²	66.6	89%	0.893	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-36.2	-179.1	-62.3	-173.3	179.8	0	0	111.6	D73	D73-E75 PolarHBondContact OD1-N 2.67Å; D73-E75 VanDerWaalsContact OD1-N 3.09Å
76	T	84.4	Confident	89.8	Confident	99 Å²	99	66.8 Å²	66.8	61%	0.607	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-15.6	-176.1	64.7	0	0	0	0	114	D73 K78	D73-T76 WeakPolarHBondContact CB-OG1 3Å; D73-T76 VanDerWaalsContact CG-OG1 3.28Å; D73-T76 WeakPolarHBondContact OD1-CB 3.23Å; D73-T76 PolarHBondContact OD1-N 3.36Å; D73-T76 PolarHBondContact OD1-OG1 2.99Å; T76-K78 PolarHBondContact O-N 3.12Å; T76-K78 VanDerWaalsContact O-N 3.16Å
77	G	81.8	Confident	89.5	Confident	35 Å²	35	66.8 Å²	66.8	36%	0.361	35%	0.35	S	S	.	.			trans	71.9	-6.2	-175.4	0	0	0	0	0	115.3	R72 D73	R72-G77 WeakPolarHBondContact CG-O 3.32Å; R72-G77 PolarHBondContact NE-O 3.13Å; D73-G77 WeakPolarHBondContact O-CA 3.22Å; D73-G77 PolarHBondContact O-N 2.95Å
78	K	86.6	Confident	89.3	Confident	103 Å²	103	68.1 Å²	68.1	45%	0.448	36%	0.357	S	S	.	.			trans	-81.1	162	-176.2	-79.7	-174.3	172.3	-82.1	0	112.8	D73 T76 E119	D73-K78 WeakPolarHBondContact CB-O 3.33Å; D73-K78 PolarHBondContact N-O 3.23Å; T76-K78 PolarHBondContact O-N 3.12Å; T76-K78 VanDerWaalsContact O-N 3.16Å; K78-E119 IonicContact NZ-OE1 2.71Å; K78-E119 PolarHBondContact NZ-OE1 3.15Å; K78-E119 IonicContact NZ-OE2 3.42Å; K78-E119 PolarHBondContact NZ-OE2 3.18Å
79	W	90.7	Very high	89.2	Confident	30 Å²	30	69.6 Å²	69.6	11%	0.114	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.4	177.4	-67.6	100.1	0	0	0	112.9	R72 F81 V110 I112 E116 V120 K123	R72-W79 HydrophobicContact CB-CD2 4.22Å; R72-W79 HydrophobicContact CB-CE3 3.92Å; R72-W79 HydrophobicContact CB-CH2 3.93Å; R72-W79 HydrophobicContact CB-CZ2 4.2Å; R72-W79 HydrophobicContact CB-CZ3 3.76Å; R72-W79 HydrophobicContact CG-CD2 4.08Å; R72-W79 HydrophobicContact CG-CE3 4.31Å; R72-W79 HydrophobicContact CG-CH2 4.33Å; R72-W79 HydrophobicContact CG-CZ2 4.08Å; R72-W79 HydrophobicContact CG-CZ3 4.43Å; W79-F81 HydrophobicContact CB-CE1 4.39Å; W79-F81 HydrophobicContact CB-CE2 3.8Å; W79-F81 HydrophobicContact CB-CZ 3.59Å; W79-F81 HydrophobicContact CG-CZ 4.36Å; W79-V110 HydrophobicContact CE3-CG2 4.3Å; W79-V110 HydrophobicContact CH2-CB 4.07Å; W79-V110 HydrophobicContact CH2-CG1 4.42Å; W79-V110 HydrophobicContact CH2-CG2 4.01Å; W79-V110 HydrophobicContact CZ3-CB 4.06Å; W79-V110 HydrophobicContact CZ3-CG1 4.09Å; W79-V110 HydrophobicContact CZ3-CG2 3.73Å; W79-I112 HydrophobicContact CD2-CD1 3.65Å; W79-I112 HydrophobicContact CE3-CD1 4.12Å; W79-I112 HydrophobicContact CG-CD1 4.1Å; W79-I112 HydrophobicContact CH2-CD1 4.07Å; W79-I112 HydrophobicContact CZ2-CD1 3.6Å; W79-I112 HydrophobicContact CZ3-CD1 4.32Å; W79-E116 PolarHBondContact NE1-OE2 2.93Å; W79-V120 HydrophobicContact CB-CG2 4.36Å; W79-V120 HydrophobicContact CG-CG2 4.32Å; W79-K123 PolarHBondContact O-NZ 2.77Å
80	C	91.3	Very high	89.3	Confident	50 Å²	50	66.3 Å²	66.3	34%	0.338	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.1	176	-71	0	0	0	0	109.7	K71	K71-C80 PolarHBondContact N-O 3.05Å; K71-C80 PolarHBondContact O-N 3.44Å
81	F	93.7	Very high	89.3	Confident	12 Å²	12	66.8 Å²	66.8	5%	0.053	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.8	-177.7	-55.2	-74.4	0	0	0	109.8	W79 L108 V120 K123 L124 F128	W79-F81 HydrophobicContact CB-CE1 4.39Å; W79-F81 HydrophobicContact CB-CE2 3.8Å; W79-F81 HydrophobicContact CB-CZ 3.59Å; W79-F81 HydrophobicContact CG-CZ 4.36Å; F81-L108 HydrophobicContact CD1-CD2 4.42Å; F81-L108 HydrophobicContact CE1-CD1 4.09Å; F81-L108 HydrophobicContact CE1-CD2 4.09Å; F81-L108 HydrophobicContact CZ-CD1 4.44Å; F81-V120 HydrophobicContact CE2-CG1 4.22Å; F81-V120 HydrophobicContact CZ-CG1 3.71Å; F81-V120 HydrophobicContact CZ-CG2 4.34Å; F81-K123 HydrophobicContact CD2-CD 4.39Å; F81-K123 HydrophobicContact CE2-CD 4.37Å; F81-L124 HydrophobicContact CB-CD2 4.17Å; F81-L124 HydrophobicContact CD1-CD2 3.96Å; F81-L124 HydrophobicContact CD2-CD2 3.63Å; F81-L124 HydrophobicContact CD2-CG 4.26Å; F81-L124 HydrophobicContact CE1-CD2 4.27Å; F81-L124 HydrophobicContact CE2-CD2 3.96Å; F81-L124 HydrophobicContact CE2-CG 4.12Å; F81-L124 HydrophobicContact CG-CD2 3.64Å; F81-L124 HydrophobicContact CZ-CD1 4.32Å; F81-L124 HydrophobicContact CZ-CD2 4.27Å; F81-L124 HydrophobicContact CZ-CG 4.37Å; F81-F128 HydrophobicContact CB-CD2 4.46Å; F81-F128 HydrophobicContact CB-CE2 3.76Å; F81-F128 HydrophobicContact CB-CZ 3.83Å; F81-F128 WeakPolarHBondContact O-CZ 3.49Å
82	N	93.8	Very high	89.5	Confident	99 Å²	99	60.5 Å²	60.5	53%	0.529	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.8	172.7	-71.5	-96.4	0	0	0	109	L68 Q69 D84	L68-N82 CarbonylContact C-O 3.58Å; L68-N82 WeakPolarHBondContact CA-O 3.41Å; Q69-N82 PolarHBondContact N-O 2.89Å; Q69-N82 PolarHBondContact O-N 2.9Å; Q69-N82 VanDerWaalsContact O-N 3.13Å; N82-D84 PolarHBondContact O-N 3.31Å
83	W	93.7	Very high	89.7	Confident	73 Å²	73	59.8 Å²	59.8	28%	0.277	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	131.1	173	-70.1	108.8	0	0	0	111.9	P67 L68 E85 L90 Y104 F128	P67-W83 HydrophobicContact CG-CE3 4.18Å; P67-W83 HydrophobicContact CG-CZ3 3.78Å; L68-W83 HydrophobicContact CD2-CD2 4.13Å; L68-W83 HydrophobicContact CD2-CE3 3.79Å; L68-W83 HydrophobicContact CD2-CZ3 4.2Å; W83-E85 PolarHBondContact O-N 2.96Å; W83-L90 HydrophobicContact CB-CD2 3.77Å; W83-L90 HydrophobicContact CD2-CD1 4.17Å; W83-L90 HydrophobicContact CD2-CD2 4.28Å; W83-L90 HydrophobicContact CE3-CD1 3.66Å; W83-L90 HydrophobicContact CE3-CD2 3.98Å; W83-L90 HydrophobicContact CE3-CG 4.36Å; W83-L90 HydrophobicContact CG-CD2 4.26Å; W83-L90 HydrophobicContact CZ3-CD1 3.9Å; W83-Y104 HydrophobicContact CH2-CD2 4.1Å; W83-Y104 AromaticContact CH2-CE2 3.87Å; W83-Y104 HydrophobicContact CH2-CE2 3.87Å; W83-Y104 HydrophobicContact CZ3-CD2 4.12Å; W83-Y104 AromaticContact CZ3-CE2 3.91Å; W83-Y104 HydrophobicContact CZ3-CE2 3.91Å; W83-F128 HydrophobicContact CD2-CD1 4.03Å; W83-F128 AromaticContact CE2-CD1 3.56Å; W83-F128 HydrophobicContact CG-CD1 4.42Å; W83-F128 HydrophobicContact CG-CE1 4.46Å; W83-F128 HydrophobicContact CH2-CB 4.2Å; W83-F128 HydrophobicContact CH2-CD1 4.43Å; W83-F128 WeakPolarHBondContact CH2-O 3.33Å; W83-F128 HydrophobicContact CZ2-CB 4.05Å; W83-F128 AromaticContact CZ2-CD1 3.79Å; W83-F128 HydrophobicContact CZ2-CD1 3.79Å; W83-F128 HydrophobicContact CZ2-CG 4.4Å; W83-F128 AromaticContact NE1-CD1 3.62Å; W83-F128 AromaticContact NE1-CE1 3.86Å
84	D	91.2	Very high	89.8	Confident	38 Å²	38	60 Å²	60	20%	0.203	32%	0.321	C	S	.	.			trans	-83.1	96.2	170.5	-175	37.2	0	0	0	111	P67 Q69 N82 D86 S87 R419	P67-D84 PolarHBondContact O-N 2.92Å; Q69-D84 HydrophobicContact CG-CB 3.84Å; Q69-D84 PolarHBondContact NE2-OD1 2.99Å; N82-D84 PolarHBondContact O-N 3.31Å; D84-D86 PolarHBondContact O-N 3.19Å; D84-S87 WeakPolarHBondContact O-CB 3.37Å; D84-S87 PolarHBondContact O-N 2.85Å; D84-S87 PolarHBondContact OD2-N 2.67Å; D84-R419 IonicContact OD1-CZ 2.58Å; D84-R419 IonicContact OD1-NH2 3.45Å; D84-R419 PolarHBondContact OD1-NH2 3.34Å
85	E	88	Confident	90	Very high	87 Å²	87	55.9 Å²	55.9	41%	0.407	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.5	-175.7	-50.8	-66.5	-173.8	0	0	115.2	W83 L90 Q91 R308	W83-E85 PolarHBondContact O-N 2.96Å; E85-L90 WeakPolarHBondContact OE2-CD2 3.48Å; E85-Q91 PolarHBondContact O-NE2 2.91Å; E85-R308 PolarHBondContact O-NH1 2.75Å; E85-R308 IonicContact OE2-CZ 2.83Å; E85-R308 IonicContact OE2-NH1 2.71Å; E85-R308 PolarHBondContact OE2-NH1 3.4Å; E85-R308 IonicContact OE2-NH2 3.26Å
86	D	85.4	Confident	90.5	Very high	75 Å²	75	48.6 Å²	48.6	40%	0.401	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.6	171.5	-87.8	-54.3	0	0	0	113.5	D84 L88 Q91 R419 K447	D84-D86 PolarHBondContact O-N 3.19Å; D86-L88 PolarHBondContact O-N 3.4Å; D86-Q91 PolarHBondContact O-NE2 3.38Å; D86-R419 IonicContact OD2-CZ 3.54Å; D86-R419 IonicContact OD2-NE 3.45Å; D86-R419 PolarHBondContact OD2-NE 2.92Å; D86-R419 IonicContact OD2-NH2 3.22Å; D86-R419 PolarHBondContact OD2-NH2 3.33Å; D86-K447 IonicContact OD1-NZ 2.8Å
87	S	91.2	Very high	90.7	Very high	11 Å²	11	47.1 Å²	47.1	8%	0.077	25%	0.247	C	C	.	.			trans	-64.2	128	-176.9	172.3	0	0	0	0	111.9	P67 D84 Q89 L90 Q91	P67-S87 WeakPolarHBondContact CB-OG 3.37Å; D84-S87 WeakPolarHBondContact O-CB 3.37Å; D84-S87 PolarHBondContact O-N 2.85Å; D84-S87 PolarHBondContact OD2-N 2.67Å; S87-Q89 VanDerWaalsContact C-N 3.26Å; S87-Q89 PolarHBondContact O-N 2.83Å; S87-Q89 PolarHBondContact OG-N 3.28Å; S87-Q89 PolarHBondContact OG-OE1 3.28Å; S87-L90 PolarHBondContact O-N 2.97Å; S87-L90 PolarHBondContact OG-N 2.98Å; S87-Q91 VanDerWaalsContact O-CG 3.28Å; S87-Q91 WeakPolarHBondContact O-CG 3.33Å; S87-Q91 PolarHBondContact O-N 3.46Å
88	L	91.9	Very high	90.9	Very high	31 Å²	31	51.8 Å²	51.8	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-37	172.1	175.1	57.8	0	0	0	111.6	D86 L90 Q91 L92 H228 V302 V528 W531	D86-L88 PolarHBondContact O-N 3.4Å; L88-L90 VanDerWaalsContact C-N 3.27Å; L88-L90 PolarHBondContact O-N 2.72Å; L88-Q91 PolarHBondContact O-N 3.15Å; L88-L92 PolarHBondContact O-N 3.24Å; L88-H228 VanDerWaalsContact CD2-CE1 3.42Å; L88-H228 WeakPolarHBondContact CD2-CE1 3.25Å; L88-V302 HydrophobicContact CD1-CG2 3.6Å; L88-V302 HydrophobicContact CD2-CG2 4.08Å; L88-V528 HydrophobicContact CD1-CG2 3.44Å; L88-V528 VanDerWaalsContact CD1-CG2 3.44Å; L88-W531 HydrophobicContact CD1-CE3 4.38Å; L88-W531 HydrophobicContact CD1-CZ3 4Å; L88-W531 HydrophobicContact CD2-CH2 4.31Å; L88-W531 HydrophobicContact CG-CH2 4.5Å; L88-W531 HydrophobicContact CG-CZ3 4.33Å
89	Q	92.3	Very high	90.8	Very high	40 Å²	40	53.5 Å²	53.5	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-32.6	179.5	-64.4	73.4	18.6	0	0	111.7	I61 A63 P67 S87 L92 Y104 Q203	I61-Q89 HydrophobicContact CG2-CB 4.29Å; I61-Q89 HydrophobicContact CG2-CG 4.22Å; A63-Q89 HydrophobicContact CB-CG 3.91Å; P67-Q89 HydrophobicContact CB-CB 4.35Å; S87-Q89 VanDerWaalsContact C-N 3.26Å; S87-Q89 PolarHBondContact O-N 2.83Å; S87-Q89 PolarHBondContact OG-N 3.28Å; S87-Q89 PolarHBondContact OG-OE1 3.28Å; Q89-L92 WeakPolarHBondContact O-CG 3.43Å; Q89-Y104 VanDerWaalsContact O-CE1 3.24Å; Q89-Y104 WeakPolarHBondContact O-CE1 3.49Å; Q89-Q203 HydrophobicContact CG-CG 4.5Å
90	L	93.3	Very high	90.9	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-78.2	-44.5	170.9	-178.9	58	0	0	0	112.3	P67 W83 E85 S87 L88 L92 R93	P67-L90 HydrophobicContact CB-CB 4.01Å; W83-L90 HydrophobicContact CB-CD2 3.77Å; W83-L90 HydrophobicContact CD2-CD1 4.17Å; W83-L90 HydrophobicContact CD2-CD2 4.28Å; W83-L90 HydrophobicContact CE3-CD1 3.66Å; W83-L90 HydrophobicContact CE3-CD2 3.98Å; W83-L90 HydrophobicContact CE3-CG 4.36Å; W83-L90 HydrophobicContact CG-CD2 4.26Å; W83-L90 HydrophobicContact CZ3-CD1 3.9Å; E85-L90 WeakPolarHBondContact OE2-CD2 3.48Å; S87-L90 PolarHBondContact O-N 2.97Å; S87-L90 PolarHBondContact OG-N 2.98Å; L88-L90 VanDerWaalsContact C-N 3.27Å; L88-L90 PolarHBondContact O-N 2.72Å; L90-L92 VanDerWaalsContact C-N 3.26Å; L90-L92 PolarHBondContact O-N 2.94Å; L90-R93 WeakPolarHBondContact O-CB 3.31Å; L90-R93 PolarHBondContact O-N 3.44Å
91	Q	93.6	Very high	91	Very high	19 Å²	19	53.5 Å²	53.5	9%	0.089	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-27.8	-175.2	-74	175.2	28.6	0	0	113.7	E85 D86 S87 L88 R93 D94 H305 V528	E85-Q91 PolarHBondContact O-NE2 2.91Å; D86-Q91 PolarHBondContact O-NE2 3.38Å; S87-Q91 VanDerWaalsContact O-CG 3.28Å; S87-Q91 WeakPolarHBondContact O-CG 3.33Å; S87-Q91 PolarHBondContact O-N 3.46Å; L88-Q91 PolarHBondContact O-N 3.15Å; Q91-R93 VanDerWaalsContact C-N 3.26Å; Q91-R93 PolarHBondContact O-N 2.89Å; Q91-D94 PolarHBondContact O-N 3.13Å; Q91-H305 HydrophobicContact CB-CB 4.42Å; Q91-H305 HydrophobicContact CG-CB 4.14Å; Q91-V528 HydrophobicContact CB-CG1 4.17Å; Q91-V528 HydrophobicContact CB-CG2 4.12Å
92	L	93.1	Very high	91.1	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-66.7	-25.4	178.6	74.4	80.5	0	0	0	113.5	I61 L88 Q89 L90 D94 G95 F96 F102 W201 W531 A532	I61-L92 HydrophobicContact CD1-CD1 3.98Å; I61-L92 HydrophobicContact CD1-CD2 4.46Å; I61-L92 HydrophobicContact CG1-CD1 4.25Å; I61-L92 HydrophobicContact CG2-CD2 4.42Å; L88-L92 PolarHBondContact O-N 3.24Å; Q89-L92 WeakPolarHBondContact O-CG 3.43Å; L90-L92 VanDerWaalsContact C-N 3.26Å; L90-L92 PolarHBondContact O-N 2.94Å; L92-D94 PolarHBondContact O-N 3.05Å; L92-G95 PolarHBondContact O-N 3.16Å; L92-F96 HydrophobicContact CD1-CE2 4.36Å; L92-F96 WeakPolarHBondContact O-CD2 2.84Å; L92-F96 WeakPolarHBondContact O-CE2 3.44Å; L92-F102 HydrophobicContact CD1-CD1 4.36Å; L92-F102 HydrophobicContact CD1-CE1 3.7Å; L92-F102 HydrophobicContact CD1-CZ 4.44Å; L92-W201 HydrophobicContact CD1-CZ3 4.23Å; L92-W201 HydrophobicContact CD2-CZ3 4.17Å; L92-W531 HydrophobicContact CB-CE3 4.35Å; L92-W531 HydrophobicContact CB-CZ3 3.83Å; L92-W531 HydrophobicContact CD2-CH2 4.39Å; L92-W531 HydrophobicContact CD2-CZ3 3.96Å; L92-A532 HydrophobicContact CB-CB 3.73Å; L92-A532 WeakPolarHBondContact O-CB 3.38Å
93	R	92.9	Very high	91.2	Very high	96 Å²	96	49 Å²	49	36%	0.362	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.4	-38.1	177.4	-177	-164.2	65.6	-169.2	-4.8	111.4	L90 Q91 G95 F96 F102	L90-R93 WeakPolarHBondContact O-CB 3.31Å; L90-R93 PolarHBondContact O-N 3.44Å; Q91-R93 VanDerWaalsContact C-N 3.26Å; Q91-R93 PolarHBondContact O-N 2.89Å; R93-G95 PolarHBondContact O-N 2.94Å; R93-F96 PolarHBondContact O-N 2.73Å; R93-F102 HydrophobicContact CB-CD2 4.4Å; R93-F102 HydrophobicContact CB-CE2 4.47Å; R93-F102 HydrophobicContact CG-CD2 3.63Å; R93-F102 HydrophobicContact CG-CE2 3.9Å; R93-F102 HydrophobicContact CG-CG 4.06Å
94	D	89.9	Confident	91.4	Very high	64 Å²	64	45.9 Å²	45.9	34%	0.342	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-73.5	0.7	-172.2	-53.3	-27.7	0	0	0	112.4	Q91 L92 H305 R308	Q91-D94 PolarHBondContact O-N 3.13Å; L92-D94 PolarHBondContact O-N 3.05Å; D94-H305 IonicContact OD2-CD2 2.69Å; D94-H305 IonicContact OD2-NE2 3.92Å; D94-H305 PolarHBondContact OD2-NE2 2.93Å; D94-R308 IonicContact OD2-CZ 3.82Å; D94-R308 IonicContact OD2-NE 3.61Å; D94-R308 PolarHBondContact OD2-NE 2.93Å; D94-R308 IonicContact OD2-NH2 3.59Å; D94-R308 PolarHBondContact OD2-NH2 2.93Å
95	G	88.5	Confident	91.8	Very high	18 Å²	18	44.1 Å²	44.1	19%	0.186	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-86.8	-3.4	166.7	0	0	0	0	0	116	L92 R93 G529	L92-G95 PolarHBondContact O-N 3.16Å; R93-G95 PolarHBondContact O-N 2.94Å; G95-G529 VanDerWaalsContact CA-CA 3.45Å
96	F	93.1	Very high	92.2	Very high	39 Å²	39	40 Å²	40	17%	0.171	22%	0.217	C	C	.	.	S	Bend	trans	-115.5	176.5	-175.8	-61.9	-86.9	0	0	0	112.5	K59 L92 R93 T100 F102 A532 M536	K59-F96 HydrophobicContact CD-CE1 4.39Å; L92-F96 HydrophobicContact CD1-CE2 4.36Å; L92-F96 WeakPolarHBondContact O-CD2 2.84Å; L92-F96 WeakPolarHBondContact O-CE2 3.44Å; R93-F96 PolarHBondContact O-N 2.73Å; F96-T100 HydrophobicContact CB-CG2 4.28Å; F96-F102 HydrophobicContact CB-CE2 4.16Å; F96-F102 HydrophobicContact CB-CZ 4.34Å; F96-F102 HydrophobicContact CD2-CE1 4.37Å; F96-F102 HydrophobicContact CD2-CE2 4.01Å; F96-F102 AromaticContact CD2-CZ 3.39Å; F96-F102 HydrophobicContact CD2-CZ 3.39Å; F96-F102 HydrophobicContact CE2-CE1 4.34Å; F96-F102 AromaticContact CE2-CZ 3.71Å; F96-F102 HydrophobicContact CE2-CZ 3.71Å; F96-F102 HydrophobicContact CG-CE2 4.21Å; F96-F102 AromaticContact CG-CZ 3.88Å; F96-F102 HydrophobicContact CG-CZ 3.88Å; F96-F102 HydrophobicContact CZ-CZ 4.47Å; F96-A532 HydrophobicContact CE2-CB 3.7Å; F96-A532 HydrophobicContact CZ-CB 4.15Å; F96-A532 WeakPolarHBondContact CZ-O 3.26Å; F96-M536 HydrophobicContact CE1-CB 3.74Å; F96-M536 HydrophobicContact CE1-CG 3.89Å; F96-M536 HydrophobicContact CZ-CB 3.78Å; F96-M536 HydrophobicContact CZ-CG 4.17Å
97	S	89.2	Confident	92.7	Very high	67 Å²	67	36.7 Å²	36.7	47%	0.469	20%	0.2	S	C	.	.			trans	-72	152.6	173.2	66.5	0	0	0	0	111	E99 T100	S97-E99 PolarHBondContact O-N 2.95Å; S97-T100 WeakPolarHBondContact O-CB 3.47Å; S97-T100 PolarHBondContact O-N 3.24Å; S97-T100 PolarHBondContact O-OG1 3.42Å; S97-T100 PolarHBondContact OG-OG1 2.87Å
98	S	84.6	Confident	92.9	Very high	133 Å²	133	36.9 Å²	36.9	93%	0.93	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-4	172.5	53	0	0	0	0	114.5
99	E	86.4	Confident	92.6	Very high	139 Å²	139	39.5 Å²	39.5	65%	0.65	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-15.1	175.7	-59.4	176.9	154.4	0	0	112.5	S97 E101	S97-E99 PolarHBondContact O-N 2.95Å; E99-E101 PolarHBondContact O-N 2.99Å
100	T	91.5	Very high	92.5	Very high	20 Å²	20	39.8 Å²	39.8	12%	0.123	22%	0.218	C	C	.	.	S	Bend	trans	-74.1	122.3	178.1	-53.3	0	0	0	0	109.2	E57 K59 F96 S97 F102	E57-T100 WeakPolarHBondContact O-CG2 3.49Å; K59-T100 HydrophobicContact CD-CG2 3.69Å; F96-T100 HydrophobicContact CB-CG2 4.28Å; S97-T100 WeakPolarHBondContact O-CB 3.47Å; S97-T100 PolarHBondContact O-N 3.24Å; S97-T100 PolarHBondContact O-OG1 3.42Å; S97-T100 PolarHBondContact OG-OG1 2.87Å; T100-F102 HydrophobicContact CG2-CD2 4.08Å; T100-F102 HydrophobicContact CG2-CE2 3.37Å; T100-F102 HydrophobicContact CG2-CZ 3.93Å
101	E	93.9	Very high	92.2	Very high	60 Å²	60	44.7 Å²	44.7	28%	0.28	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.4	-179.3	-170.9	174.8	126.3	0	0	110.6	E57 R58 K59 E99	E57-E101 PolarHBondContact O-N 3.38Å; E57-E101 VanDerWaalsContact O-N 3.08Å; R58-E101 CarbonylContact C-O 3.54Å; R58-E101 WeakPolarHBondContact CA-O 3.37Å; R58-E101 HydrophobicContact CB-CB 4.1Å; R58-E101 WeakPolarHBondContact CD-OE1 2.92Å; R58-E101 HydrophobicContact CG-CB 3.96Å; R58-E101 HydrophobicContact CG-CG 4.06Å; R58-E101 IonicContact NH1-OE1 3.45Å; K59-E101 PolarHBondContact N-O 3.02Å; E99-E101 PolarHBondContact O-N 2.99Å
102	F	95.3	Very high	92.1	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.6	176	-77.7	-95.3	0	0	0	110.5	K59 I61 L92 R93 F96 T100 Y104 N129	K59-F102 HydrophobicContact CB-CD1 4.05Å; K59-F102 HydrophobicContact CB-CE1 3.77Å; K59-F102 HydrophobicContact CB-CZ 4.19Å; K59-F102 HydrophobicContact CD-CE1 4.26Å; K59-F102 HydrophobicContact CD-CZ 3.9Å; K59-F102 WeakPolarHBondContact O-CA 3.08Å; I61-F102 HydrophobicContact CD1-CD1 4.32Å; I61-F102 HydrophobicContact CD1-CE1 4.2Å; I61-F102 HydrophobicContact CG1-CD1 3.93Å; I61-F102 HydrophobicContact CG1-CE1 4.29Å; L92-F102 HydrophobicContact CD1-CD1 4.36Å; L92-F102 HydrophobicContact CD1-CE1 3.7Å; L92-F102 HydrophobicContact CD1-CZ 4.44Å; R93-F102 HydrophobicContact CB-CD2 4.4Å; R93-F102 HydrophobicContact CB-CE2 4.47Å; R93-F102 HydrophobicContact CG-CD2 3.63Å; R93-F102 HydrophobicContact CG-CE2 3.9Å; R93-F102 HydrophobicContact CG-CG 4.06Å; F96-F102 HydrophobicContact CB-CE2 4.16Å; F96-F102 HydrophobicContact CB-CZ 4.34Å; F96-F102 HydrophobicContact CD2-CE1 4.37Å; F96-F102 HydrophobicContact CD2-CE2 4.01Å; F96-F102 AromaticContact CD2-CZ 3.39Å; F96-F102 HydrophobicContact CD2-CZ 3.39Å; F96-F102 HydrophobicContact CE2-CE1 4.34Å; F96-F102 AromaticContact CE2-CZ 3.71Å; F96-F102 HydrophobicContact CE2-CZ 3.71Å; F96-F102 HydrophobicContact CG-CE2 4.21Å; F96-F102 AromaticContact CG-CZ 3.88Å; F96-F102 HydrophobicContact CG-CZ 3.88Å; F96-F102 HydrophobicContact CZ-CZ 4.47Å; T100-F102 HydrophobicContact CG2-CD2 4.08Å; T100-F102 HydrophobicContact CG2-CE2 3.37Å; T100-F102 HydrophobicContact CG2-CZ 3.93Å; F102-Y104 HydrophobicContact CB-CE2 4.17Å; F102-N129 VanDerWaalsContact O-CB 3.32Å; F102-N129 WeakPolarHBondContact O-CB 3.45Å; F102-N129 PolarHBondContact O-ND2 3.49Å
103	L	96.7	Very high	92	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.4	173.1	-178.1	152.2	0	0	0	108.3	K59 I60 I61 V105 L125 N129 V131 V192	K59-L103 PolarHBondContact O-N 3.02Å; K59-L103 VanDerWaalsContact O-N 3.11Å; I60-L103 CarbonylContact C-O 3.57Å; I60-L103 WeakPolarHBondContact CA-O 3.47Å; I60-L103 HydrophobicContact CG1-CD2 4.37Å; I60-L103 HydrophobicContact CG2-CD2 4.02Å; I61-L103 PolarHBondContact N-O 2.89Å; L103-V105 HydrophobicContact CD2-CG2 3.73Å; L103-L125 HydrophobicContact CD1-CD1 4.4Å; L103-N129 WeakPolarHBondContact CA-O 3.46Å; L103-V131 HydrophobicContact CD1-CG2 4.45Å; L103-V131 HydrophobicContact CD2-CG2 3.97Å; L103-V131 HydrophobicContact CG-CG2 4.45Å; L103-V192 HydrophobicContact CD1-CB 4.04Å; L103-V192 HydrophobicContact CD1-CG1 4.37Å; L103-V192 HydrophobicContact CD1-CG2 4.01Å; L103-V192 HydrophobicContact CD2-CG2 3.79Å
104	Y	98	Very high	91.9	Very high	6 Å²	6	49.6 Å²	49.6	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134	-176.7	-59.4	-81.4	0	0	0	110.7	I61 P67 W83 Q89 F102 N129 C130 V131	I61-Y104 HydrophobicContact CB-CD1 3.77Å; I61-Y104 HydrophobicContact CB-CE1 3.96Å; I61-Y104 HydrophobicContact CG1-CD1 4.26Å; I61-Y104 HydrophobicContact CG1-CE1 3.96Å; I61-Y104 HydrophobicContact CG2-CD1 4.24Å; I61-Y104 HydrophobicContact CG2-CE1 4.39Å; I61-Y104 WeakPolarHBondContact O-CA 3.46Å; P67-Y104 HydrophobicContact CG-CD1 3.95Å; P67-Y104 HydrophobicContact CG-CD2 4.22Å; P67-Y104 HydrophobicContact CG-CE1 4.32Å; P67-Y104 HydrophobicContact CG-CG 3.91Å; W83-Y104 HydrophobicContact CH2-CD2 4.1Å; W83-Y104 AromaticContact CH2-CE2 3.87Å; W83-Y104 HydrophobicContact CH2-CE2 3.87Å; W83-Y104 HydrophobicContact CZ3-CD2 4.12Å; W83-Y104 AromaticContact CZ3-CE2 3.91Å; W83-Y104 HydrophobicContact CZ3-CE2 3.91Å; Q89-Y104 VanDerWaalsContact O-CE1 3.24Å; Q89-Y104 WeakPolarHBondContact O-CE1 3.49Å; F102-Y104 HydrophobicContact CB-CE2 4.17Å; Y104-N129 PolarHBondContact N-O 3.49Å; Y104-C130 CarbonylContact O-C 3.55Å; Y104-C130 WeakPolarHBondContact O-CA 3.49Å; Y104-V131 PolarHBondContact O-N 3.08Å
105	V	98.3	Very high	92	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.2	172.8	-172.3	0	0	0	0	108.3	I60 I61 V62 A63 L103 V131 R188 V189	I60-V105 HydrophobicContact CG2-CG2 3.81Å; I61-V105 PolarHBondContact O-N 3.08Å; V62-V105 WeakPolarHBondContact CA-O 3.16Å; V62-V105 HydrophobicContact CG1-CB 4.2Å; V62-V105 HydrophobicContact CG1-CG1 4.47Å; V62-V105 HydrophobicContact CG2-CB 4.39Å; A63-V105 PolarHBondContact N-O 2.98Å; L103-V105 HydrophobicContact CD2-CG2 3.73Å; V105-V131 HydrophobicContact CG2-CB 4.22Å; V105-R188 HydrophobicContact CG1-CB 3.79Å; V105-V189 HydrophobicContact CB-CG2 4.22Å; V105-V189 HydrophobicContact CG1-CG2 4.12Å; V105-V189 HydrophobicContact CG2-CG2 4.01Å
106	G	97.7	Very high	92.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	168.3	-175.4	0	0	0	0	0	113.8	A63 L66 V131 T133	A63-G106 WeakPolarHBondContact O-CA 3.14Å; L66-G106 WeakPolarHBondContact CG-O 3.45Å; G106-V131 PolarHBondContact N-O 3.23Å; G106-T133 PolarHBondContact O-N 2.96Å
107	S	96.3	Very high	92.3	Very high	6 Å²	6	54 Å²	54	4%	0.042	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	157.9	169.3	-61	0	0	0	0	111.7	N64 M65 L66 T133 F185	N64-S107 WeakPolarHBondContact O-CB 3.35Å; N64-S107 PolarHBondContact O-N 3.28Å; M65-S107 CarbonylContact C-O 3.03Å; M65-S107 WeakPolarHBondContact CA-O 3.42Å; L66-S107 PolarHBondContact N-O 3.14Å; S107-T133 WeakPolarHBondContact CA-O 3.46Å; S107-T133 WeakPolarHBondContact CB-O 3.27Å; S107-T133 PolarHBondContact OG-O 2.93Å; S107-F185 WeakPolarHBondContact OG-CZ 3.32Å
108	L	93.5	Very high	92.5	Very high	15 Å²	15	58.6 Å²	58.6	8%	0.079	31%	0.313	C	S	.	.			trans	-83.1	159.9	173.6	-67.8	170	0	0	0	111.5	M65 L66 F81 V110 I112 V120 L124 F134	M65-L108 VanDerWaalsContact CE-C 3.49Å; M65-L108 VanDerWaalsContact CE-O 3.24Å; M65-L108 WeakPolarHBondContact CE-O 3.28Å; L66-L108 HydrophobicContact CD1-CD2 3.82Å; L66-L108 HydrophobicContact CD1-CG 4.4Å; F81-L108 HydrophobicContact CD1-CD2 4.42Å; F81-L108 HydrophobicContact CE1-CD1 4.09Å; F81-L108 HydrophobicContact CE1-CD2 4.09Å; F81-L108 HydrophobicContact CZ-CD1 4.44Å; L108-V110 HydrophobicContact CB-CG2 4.16Å; L108-V110 PolarHBondContact O-N 2.82Å; L108-I112 HydrophobicContact CD1-CD1 4.27Å; L108-I112 HydrophobicContact CD1-CG1 3.78Å; L108-V120 HydrophobicContact CD1-CG1 3.96Å; L108-L124 HydrophobicContact CD1-CD1 3.98Å; L108-L124 HydrophobicContact CD2-CD1 3.91Å; L108-L124 HydrophobicContact CG-CD1 4.33Å; L108-F134 HydrophobicContact CD1-CE1 4.13Å
109	N	86.9	Confident	92.9	Very high	87 Å²	87	57.5 Å²	57.5	47%	0.465	29%	0.293	S	S	.	.	S	Bend	trans	-80.3	14.8	175.8	73.8	-65.4	0	0	0	114	M65 S70	M65-N109 HydrophobicContact CE-CB 4.08Å; S70-N109 WeakPolarHBondContact CB-OD1 3.13Å; S70-N109 PolarHBondContact N-OD1 3.38Å; S70-N109 PolarHBondContact OG-OD1 2.92Å
110	V	89.1	Confident	93.3	Very high	45 Å²	45	51.1 Å²	51.1	27%	0.273	26%	0.263	S	S	.	.	S	Bend	trans	-146.7	153.1	-177.6	-66.3	0	0	0	0	108.4	S70 W79 L108 I112	S70-V110 VanDerWaalsContact CB-CG2 3.48Å; W79-V110 HydrophobicContact CE3-CG2 4.3Å; W79-V110 HydrophobicContact CH2-CB 4.07Å; W79-V110 HydrophobicContact CH2-CG1 4.42Å; W79-V110 HydrophobicContact CH2-CG2 4.01Å; W79-V110 HydrophobicContact CZ3-CB 4.06Å; W79-V110 HydrophobicContact CZ3-CG1 4.09Å; W79-V110 HydrophobicContact CZ3-CG2 3.73Å; L108-V110 HydrophobicContact CB-CG2 4.16Å; L108-V110 PolarHBondContact O-N 2.82Å; V110-I112 HydrophobicContact CG2-CD1 3.78Å; V110-I112 HydrophobicContact CG2-CG1 4.35Å
111	D	88.1	Confident	93.5	Very high	105 Å²	105	52 Å²	52	56%	0.561	27%	0.27	S	S	*	.			trans	-80.4	147.6	167.1	-165	11	0	0	0	110.3
112	I	90.6	Very high	93.6	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.282	C	S	.	.			trans	-130.5	121.4	-176.3	-58.7	-64.6	0	0	0	108.5	W79 L108 V110 E116 Q117 V120 F134	W79-I112 HydrophobicContact CD2-CD1 3.65Å; W79-I112 HydrophobicContact CE3-CD1 4.12Å; W79-I112 HydrophobicContact CG-CD1 4.1Å; W79-I112 HydrophobicContact CH2-CD1 4.07Å; W79-I112 HydrophobicContact CZ2-CD1 3.6Å; W79-I112 HydrophobicContact CZ3-CD1 4.32Å; L108-I112 HydrophobicContact CD1-CD1 4.27Å; L108-I112 HydrophobicContact CD1-CG1 3.78Å; V110-I112 HydrophobicContact CG2-CD1 3.78Å; V110-I112 HydrophobicContact CG2-CG1 4.35Å; I112-E116 HydrophobicContact CG2-CB 3.87Å; I112-Q117 HydrophobicContact CB-CG 4.21Å; I112-Q117 HydrophobicContact CG2-CG 3.78Å; I112-Q117 PolarHBondContact O-NE2 3.3Å; I112-V120 HydrophobicContact CG2-CB 4.39Å; I112-V120 HydrophobicContact CG2-CG2 4.05Å; I112-F134 HydrophobicContact CB-CD1 4.23Å; I112-F134 HydrophobicContact CB-CE1 3.86Å; I112-F134 HydrophobicContact CG1-CE1 3.93Å; I112-F134 HydrophobicContact CG2-CE1 4.21Å
113	E	90.9	Very high	93.6	Very high	97 Å²	97	56.7 Å²	56.7	45%	0.453	29%	0.291	S	S	.	.			trans	-57.7	138.1	-178.8	-57.3	171	-131	0	0	110.7	R72 N115 E116 Q117	R72-E113 IonicContact CZ-OE1 2.69Å; R72-E113 IonicContact NH1-OE1 2.77Å; R72-E113 PolarHBondContact NH1-OE1 2.82Å; R72-E113 IonicContact NH2-OE1 2.75Å; R72-E113 PolarHBondContact NH2-OE1 2.67Å; E113-N115 WeakPolarHBondContact CB-OD1 3.14Å; E113-N115 PolarHBondContact O-N 3.33Å; E113-E116 HydrophobicContact CB-CG 4.48Å; E113-E116 WeakPolarHBondContact O-CA 3.36Å; E113-E116 PolarHBondContact O-N 3.19Å; E113-Q117 PolarHBondContact O-N 3.41Å
114	T	91.5	Very high	93.5	Very high	120 Å²	120	56.3 Å²	56.3	74%	0.736	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.5	-168.7	-40.7	0	0	0	0	114.5
115	N	92.6	Very high	93.4	Very high	130 Å²	130	59.5 Å²	59.5	70%	0.695	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-25	173.5	56.5	-35.8	0	0	0	114.2	E113	E113-N115 WeakPolarHBondContact CB-OD1 3.14Å; E113-N115 PolarHBondContact O-N 3.33Å
116	E	92.7	Very high	93.2	Very high	40 Å²	40	66 Å²	66	19%	0.187	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-19	176.3	-62.9	-171.7	134.6	0	0	112.7	R72 W79 I112 E113 E118 E119 V120	R72-E116 IonicContact CZ-OE1 2.83Å; R72-E116 IonicContact CZ-OE2 3.19Å; R72-E116 IonicContact NE-OE1 2.87Å; R72-E116 IonicContact NH2-OE1 2.78Å; R72-E116 PolarHBondContact NH2-OE1 3.04Å; R72-E116 IonicContact NH2-OE2 2.62Å; R72-E116 PolarHBondContact NH2-OE2 3.46Å; R72-E116 VanDerWaalsContact NH2-OE2 3.13Å; W79-E116 PolarHBondContact NE1-OE2 2.93Å; I112-E116 HydrophobicContact CG2-CB 3.87Å; E113-E116 HydrophobicContact CB-CG 4.48Å; E113-E116 WeakPolarHBondContact O-CA 3.36Å; E113-E116 PolarHBondContact O-N 3.19Å; E116-E118 VanDerWaalsContact C-N 3.28Å; E116-E118 PolarHBondContact O-N 2.86Å; E116-E119 PolarHBondContact O-N 2.65Å; E116-V120 WeakPolarHBondContact O-CB 3.39Å; E116-V120 WeakPolarHBondContact O-CG2 3.17Å; E116-V120 PolarHBondContact O-N 3.14Å
117	Q	93.9	Very high	93.1	Very high	42 Å²	42	71.6 Å²	71.6	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	-57.9	-32.3	-172.4	-73.3	-177.9	13.2	0	0	114.3	I112 E113 S121 F134	I112-Q117 HydrophobicContact CB-CG 4.21Å; I112-Q117 HydrophobicContact CG2-CG 3.78Å; I112-Q117 PolarHBondContact O-NE2 3.3Å; E113-Q117 PolarHBondContact O-N 3.41Å; Q117-S121 VanDerWaalsContact O-CB 3.28Å; Q117-S121 WeakPolarHBondContact O-CB 3.26Å; Q117-S121 PolarHBondContact O-N 3.01Å; Q117-S121 PolarHBondContact O-OG 2.6Å; Q117-F134 HydrophobicContact CB-CD2 3.95Å; Q117-F134 HydrophobicContact CB-CE1 4.45Å; Q117-F134 HydrophobicContact CB-CE2 3.63Å; Q117-F134 HydrophobicContact CB-CG 4.49Å; Q117-F134 HydrophobicContact CB-CZ 3.9Å; Q117-F134 VanDerWaalsContact CD-CG 3.47Å; Q117-F134 HydrophobicContact CG-CD1 3.88Å; Q117-F134 HydrophobicContact CG-CD2 3.82Å; Q117-F134 HydrophobicContact CG-CE1 3.89Å; Q117-F134 HydrophobicContact CG-CE2 3.82Å; Q117-F134 HydrophobicContact CG-CG 3.85Å; Q117-F134 HydrophobicContact CG-CZ 3.85Å
118	E	93.9	Very high	93	Very high	165 Å²	165	72.2 Å²	72.2	77%	0.771	37%	0.365	S	S	*	.	H	α-helix	trans	-73.8	-46.6	178.4	-167.1	169.3	-162.4	0	0	111.9	E116 V120 S121 Q122	E116-E118 VanDerWaalsContact C-N 3.28Å; E116-E118 PolarHBondContact O-N 2.86Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 3.35Å; E118-S121 PolarHBondContact O-N 3.47Å; E118-Q122 PolarHBondContact O-N 3.49Å
119	E	93.9	Very high	93.1	Very high	109 Å²	109	74.6 Å²	74.6	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-43.7	174.1	-168.7	-169.5	139.4	0	0	110.7	K78 E116 K123	K78-E119 IonicContact NZ-OE1 2.71Å; K78-E119 PolarHBondContact NZ-OE1 3.15Å; K78-E119 IonicContact NZ-OE2 3.42Å; K78-E119 PolarHBondContact NZ-OE2 3.18Å; E116-E119 PolarHBondContact O-N 2.65Å; E119-K123 WeakPolarHBondContact O-CB 3.37Å; E119-K123 PolarHBondContact O-N 2.83Å
120	V	94.7	Very high	93.6	Very high	6 Å²	6	70.4 Å²	70.4	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-41.7	177.2	169	0	0	0	0	111.5	W79 F81 L108 I112 E116 E118 L124 F134	W79-V120 HydrophobicContact CB-CG2 4.36Å; W79-V120 HydrophobicContact CG-CG2 4.32Å; F81-V120 HydrophobicContact CE2-CG1 4.22Å; F81-V120 HydrophobicContact CZ-CG1 3.71Å; F81-V120 HydrophobicContact CZ-CG2 4.34Å; L108-V120 HydrophobicContact CD1-CG1 3.96Å; I112-V120 HydrophobicContact CG2-CB 4.39Å; I112-V120 HydrophobicContact CG2-CG2 4.05Å; E116-V120 WeakPolarHBondContact O-CB 3.39Å; E116-V120 WeakPolarHBondContact O-CG2 3.17Å; E116-V120 PolarHBondContact O-N 3.14Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 3.35Å; V120-L124 HydrophobicContact CG1-CD1 3.62Å; V120-L124 HydrophobicContact CG1-CG 4.26Å; V120-L124 VanDerWaalsContact O-CB 3.32Å; V120-L124 WeakPolarHBondContact O-CB 3.25Å; V120-L124 WeakPolarHBondContact O-CG 3.18Å; V120-L124 PolarHBondContact O-N 3.32Å; V120-F134 HydrophobicContact CG1-CE1 4.43Å; V120-F134 HydrophobicContact CG1-CZ 4.1Å
121	S	95.3	Very high	94	Very high	38 Å²	38	69 Å²	69	27%	0.266	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-47.3	177.9	-62.8	0	0	0	0	112.3	Q117 E118 L124 L125 F134	Q117-S121 VanDerWaalsContact O-CB 3.28Å; Q117-S121 WeakPolarHBondContact O-CB 3.26Å; Q117-S121 PolarHBondContact O-N 3.01Å; Q117-S121 PolarHBondContact O-OG 2.6Å; E118-S121 PolarHBondContact O-N 3.47Å; S121-L124 PolarHBondContact O-N 2.86Å; S121-L125 WeakPolarHBondContact O-CB 3.06Å; S121-L125 PolarHBondContact O-N 3.39Å; S121-F134 WeakPolarHBondContact OG-CE2 3.31Å
122	Q	95	Very high	94.5	Very high	115 Å²	115	64 Å²	64	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-48.7	179.2	-176.8	174.5	2.1	0	0	110.5	E118 L124 L125 E126	E118-Q122 PolarHBondContact O-N 3.49Å; Q122-L124 VanDerWaalsContact C-N 3.35Å; Q122-L124 PolarHBondContact O-N 3.35Å; Q122-L125 PolarHBondContact O-N 3.4Å; Q122-E126 HydrophobicContact CG-CG 4.31Å; Q122-E126 VanDerWaalsContact CG-OE1 3.26Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.45Å; Q122-E126 PolarHBondContact NE2-OE1 3.2Å; Q122-E126 WeakPolarHBondContact O-CB 3.1Å; Q122-E126 WeakPolarHBondContact O-CG 3.34Å; Q122-E126 PolarHBondContact O-N 3.14Å
123	K	95.1	Very high	94.8	Very high	54 Å²	54	64 Å²	64	24%	0.235	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-43.4	178.3	-174.7	176.6	-179.3	177.6	0	112.6	W79 F81 E119 E126 E127	W79-K123 PolarHBondContact O-NZ 2.77Å; F81-K123 HydrophobicContact CD2-CD 4.39Å; F81-K123 HydrophobicContact CE2-CD 4.37Å; E119-K123 WeakPolarHBondContact O-CB 3.37Å; E119-K123 PolarHBondContact O-N 2.83Å; K123-E126 PolarHBondContact O-N 2.8Å; K123-E127 WeakPolarHBondContact CE-OE1 3.4Å; K123-E127 WeakPolarHBondContact CE-OE2 3.45Å; K123-E127 HydrophobicContact CG-CG 4.2Å; K123-E127 VanDerWaalsContact O-CB 3.31Å; K123-E127 WeakPolarHBondContact O-CB 3.48Å; K123-E127 PolarHBondContact O-N 2.9Å
124	L	96.2	Very high	95	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-33.7	179.5	-73.3	174.2	0	0	0	112.9	L66 L68 F81 L108 V120 S121 Q122 F128 N129 C130 A132	L66-L124 HydrophobicContact CD1-CD1 4.48Å; L68-L124 HydrophobicContact CD1-CD2 3.45Å; L68-L124 VanDerWaalsContact CD1-CD2 3.45Å; F81-L124 HydrophobicContact CB-CD2 4.17Å; F81-L124 HydrophobicContact CD1-CD2 3.96Å; F81-L124 HydrophobicContact CD2-CD2 3.63Å; F81-L124 HydrophobicContact CD2-CG 4.26Å; F81-L124 HydrophobicContact CE1-CD2 4.27Å; F81-L124 HydrophobicContact CE2-CD2 3.96Å; F81-L124 HydrophobicContact CE2-CG 4.12Å; F81-L124 HydrophobicContact CG-CD2 3.64Å; F81-L124 HydrophobicContact CZ-CD1 4.32Å; F81-L124 HydrophobicContact CZ-CD2 4.27Å; F81-L124 HydrophobicContact CZ-CG 4.37Å; L108-L124 HydrophobicContact CD1-CD1 3.98Å; L108-L124 HydrophobicContact CD2-CD1 3.91Å; L108-L124 HydrophobicContact CG-CD1 4.33Å; V120-L124 HydrophobicContact CG1-CD1 3.62Å; V120-L124 HydrophobicContact CG1-CG 4.26Å; V120-L124 VanDerWaalsContact O-CB 3.32Å; V120-L124 WeakPolarHBondContact O-CB 3.25Å; V120-L124 WeakPolarHBondContact O-CG 3.18Å; V120-L124 PolarHBondContact O-N 3.32Å; S121-L124 PolarHBondContact O-N 2.86Å; Q122-L124 VanDerWaalsContact C-N 3.35Å; Q122-L124 PolarHBondContact O-N 3.35Å; L124-F128 HydrophobicContact CD2-CD2 4.07Å; L124-F128 CarbonylContact O-C 3.56Å; L124-F128 WeakPolarHBondContact O-CA 3.19Å; L124-F128 WeakPolarHBondContact O-CB 3.47Å; L124-F128 PolarHBondContact O-N 2.98Å; L124-F128 VanDerWaalsContact O-N 3.17Å; L124-N129 PolarHBondContact O-N 2.81Å; L124-C130 CarbonylContact C-O 3.6Å; L124-C130 VanDerWaalsContact C-O 3.23Å; L124-C130 HydrophobicContact CB-CB 4.15Å; L124-C130 VanDerWaalsContact CB-O 3.31Å; L124-C130 WeakPolarHBondContact CB-O 3.28Å; L124-C130 PolarHBondContact O-N 3.4Å; L124-A132 HydrophobicContact CD1-CB 3.98Å
125	L	95.3	Very high	95.2	Very high	73 Å²	73	55.9 Å²	55.9	38%	0.382	27%	0.274	S	S	.	.	H	α-helix	trans	-71	-46.8	174.1	-173.9	60.2	0	0	0	111.3	L103 S121 Q122 N129 C130 V131	L103-L125 HydrophobicContact CD1-CD1 4.4Å; S121-L125 WeakPolarHBondContact O-CB 3.06Å; S121-L125 PolarHBondContact O-N 3.39Å; Q122-L125 PolarHBondContact O-N 3.4Å; L125-N129 WeakPolarHBondContact O-CA 3.45Å; L125-N129 PolarHBondContact O-N 2.88Å; L125-N129 VanDerWaalsContact O-N 3.1Å; L125-C130 PolarHBondContact N-O 3.08Å; L125-V131 HydrophobicContact CD1-CG2 4.27Å
126	E	94.7	Very high	95.2	Very high	138 Å²	138	53.1 Å²	53.1	65%	0.645	27%	0.265	S	S	*	.	H	α-helix	trans	-73	-40.9	-176.2	-70.1	178.6	-175	0	0	114.1	Q122 K123	Q122-E126 HydrophobicContact CG-CG 4.31Å; Q122-E126 VanDerWaalsContact CG-OE1 3.26Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.45Å; Q122-E126 PolarHBondContact NE2-OE1 3.2Å; Q122-E126 WeakPolarHBondContact O-CB 3.1Å; Q122-E126 WeakPolarHBondContact O-CG 3.34Å; Q122-E126 PolarHBondContact O-N 3.14Å; K123-E126 PolarHBondContact O-N 2.8Å
127	E	94.9	Very high	95.2	Very high	116 Å²	116	57 Å²	57	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-90.1	-25.5	-178	-65.2	178.6	-179.2	0	0	113.2	K123	K123-E127 WeakPolarHBondContact CE-OE1 3.4Å; K123-E127 WeakPolarHBondContact CE-OE2 3.45Å; K123-E127 HydrophobicContact CG-CG 4.2Å; K123-E127 VanDerWaalsContact O-CB 3.31Å; K123-E127 WeakPolarHBondContact O-CB 3.48Å; K123-E127 PolarHBondContact O-N 2.9Å
128	F	94.7	Very high	95.2	Very high	20 Å²	20	61.9 Å²	61.9	9%	0.088	31%	0.306	C	S	.	.	H	α-helix	trans	-133.6	0.7	-168.5	-59.6	-90.8	0	0	0	115.8	L68 F81 W83 L124 C130	L68-F128 HydrophobicContact CD1-CG 4.48Å; L68-F128 HydrophobicContact CD2-CB 4.45Å; L68-F128 HydrophobicContact CD2-CD1 3.55Å; L68-F128 HydrophobicContact CD2-CE1 4.03Å; L68-F128 HydrophobicContact CD2-CG 4.09Å; F81-F128 HydrophobicContact CB-CD2 4.46Å; F81-F128 HydrophobicContact CB-CE2 3.76Å; F81-F128 HydrophobicContact CB-CZ 3.83Å; F81-F128 WeakPolarHBondContact O-CZ 3.49Å; W83-F128 HydrophobicContact CD2-CD1 4.03Å; W83-F128 AromaticContact CE2-CD1 3.56Å; W83-F128 HydrophobicContact CG-CD1 4.42Å; W83-F128 HydrophobicContact CG-CE1 4.46Å; W83-F128 HydrophobicContact CH2-CB 4.2Å; W83-F128 HydrophobicContact CH2-CD1 4.43Å; W83-F128 WeakPolarHBondContact CH2-O 3.33Å; W83-F128 HydrophobicContact CZ2-CB 4.05Å; W83-F128 AromaticContact CZ2-CD1 3.79Å; W83-F128 HydrophobicContact CZ2-CD1 3.79Å; W83-F128 HydrophobicContact CZ2-CG 4.4Å; W83-F128 AromaticContact NE1-CD1 3.62Å; W83-F128 AromaticContact NE1-CE1 3.86Å; L124-F128 HydrophobicContact CD2-CD2 4.07Å; L124-F128 CarbonylContact O-C 3.56Å; L124-F128 WeakPolarHBondContact O-CA 3.19Å; L124-F128 WeakPolarHBondContact O-CB 3.47Å; L124-F128 PolarHBondContact O-N 2.98Å; L124-F128 VanDerWaalsContact O-N 3.17Å; F128-C130 HydrophobicContact CB-CB 4.05Å; F128-C130 PolarHBondContact O-N 3.33Å; F128-C130 PolarHBondContact O-SG 3.45Å
129	N	95.5	Very high	95.3	Very high	64 Å²	64	55.3 Å²	55.3	34%	0.342	28%	0.276	S	S	.	.			trans	48.6	38.5	-168.5	-72.3	3.7	0	0	0	112.7	F102 L103 Y104 L124 L125	F102-N129 VanDerWaalsContact O-CB 3.32Å; F102-N129 WeakPolarHBondContact O-CB 3.45Å; F102-N129 PolarHBondContact O-ND2 3.49Å; L103-N129 WeakPolarHBondContact CA-O 3.46Å; Y104-N129 PolarHBondContact N-O 3.49Å; L124-N129 PolarHBondContact O-N 2.81Å; L125-N129 WeakPolarHBondContact O-CA 3.45Å; L125-N129 PolarHBondContact O-N 2.88Å; L125-N129 VanDerWaalsContact O-N 3.1Å
130	C	97.3	Very high	95.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.6	-175	-73.9	0	0	0	0	111.3	L66 L68 Y104 L124 L125 F128	L66-C130 HydrophobicContact CD1-CB 4.03Å; L66-C130 HydrophobicContact CD2-CB 3.93Å; L68-C130 HydrophobicContact CD1-CB 4.13Å; Y104-C130 CarbonylContact O-C 3.55Å; Y104-C130 WeakPolarHBondContact O-CA 3.49Å; L124-C130 CarbonylContact C-O 3.6Å; L124-C130 VanDerWaalsContact C-O 3.23Å; L124-C130 HydrophobicContact CB-CB 4.15Å; L124-C130 VanDerWaalsContact CB-O 3.31Å; L124-C130 WeakPolarHBondContact CB-O 3.28Å; L124-C130 PolarHBondContact O-N 3.4Å; L125-C130 PolarHBondContact N-O 3.08Å; F128-C130 HydrophobicContact CB-CB 4.05Å; F128-C130 PolarHBondContact O-N 3.33Å; F128-C130 PolarHBondContact O-SG 3.45Å
131	V	97.5	Very high	95.2	Very high	14 Å²	14	56.4 Å²	56.4	9%	0.085	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	112.2	173.8	-177.8	0	0	0	0	108.9	L103 Y104 V105 G106 L125 R188 V192	L103-V131 HydrophobicContact CD1-CG2 4.45Å; L103-V131 HydrophobicContact CD2-CG2 3.97Å; L103-V131 HydrophobicContact CG-CG2 4.45Å; Y104-V131 PolarHBondContact O-N 3.08Å; V105-V131 HydrophobicContact CG2-CB 4.22Å; G106-V131 PolarHBondContact N-O 3.23Å; L125-V131 HydrophobicContact CD1-CG2 4.27Å; V131-R188 HydrophobicContact CG1-CB 3.98Å; V131-R188 HydrophobicContact CG1-CG 4.46Å; V131-V192 HydrophobicContact CG2-CG1 3.76Å; V131-V192 HydrophobicContact CG2-CG2 4.24Å
132	A	97.3	Very high	95.2	Very high	2 Å²	2	57 Å²	57	2%	0.017	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.4	180	0	0	0	0	0	111.8	L124 F134	L124-A132 HydrophobicContact CD1-CB 3.98Å; A132-F134 HydrophobicContact CB-CD2 4.48Å; A132-F134 HydrophobicContact CB-CE1 3.94Å; A132-F134 HydrophobicContact CB-CE2 3.8Å; A132-F134 HydrophobicContact CB-CZ 3.49Å; A132-F134 VanDerWaalsContact CB-CZ 3.49Å
133	T	97.1	Very high	95.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	26%	0.255	C	S	.	.			trans	-100.5	91.2	170.7	-51.1	0	0	0	0	109	G106 S107 L135 I184 F185 R188	G106-T133 PolarHBondContact O-N 2.96Å; S107-T133 WeakPolarHBondContact CA-O 3.46Å; S107-T133 WeakPolarHBondContact CB-O 3.27Å; S107-T133 PolarHBondContact OG-O 2.93Å; T133-L135 HydrophobicContact CG2-CD2 4.37Å; T133-I184 HydrophobicContact CG2-CG2 3.9Å; T133-F185 HydrophobicContact CG2-CB 4.42Å; T133-F185 HydrophobicContact CG2-CD1 3.56Å; T133-F185 HydrophobicContact CG2-CD2 4.22Å; T133-F185 HydrophobicContact CG2-CE1 3.75Å; T133-F185 HydrophobicContact CG2-CE2 4.38Å; T133-F185 HydrophobicContact CG2-CG 3.79Å; T133-F185 HydrophobicContact CG2-CZ 4.15Å; T133-F185 WeakPolarHBondContact OG1-CD1 3.4Å; T133-R188 HydrophobicContact CG2-CG 4.15Å
134	F	96.3	Very high	95.1	Very high	28 Å²	28	51.2 Å²	51.2	12%	0.123	25%	0.252	C	S	.	.			trans	-73.4	137.2	170.9	-49.9	-71.6	0	0	0	110.4	L108 I112 Q117 V120 S121 A132	L108-F134 HydrophobicContact CD1-CE1 4.13Å; I112-F134 HydrophobicContact CB-CD1 4.23Å; I112-F134 HydrophobicContact CB-CE1 3.86Å; I112-F134 HydrophobicContact CG1-CE1 3.93Å; I112-F134 HydrophobicContact CG2-CE1 4.21Å; Q117-F134 HydrophobicContact CB-CD2 3.95Å; Q117-F134 HydrophobicContact CB-CE1 4.45Å; Q117-F134 HydrophobicContact CB-CE2 3.63Å; Q117-F134 HydrophobicContact CB-CG 4.49Å; Q117-F134 HydrophobicContact CB-CZ 3.9Å; Q117-F134 VanDerWaalsContact CD-CG 3.47Å; Q117-F134 HydrophobicContact CG-CD1 3.88Å; Q117-F134 HydrophobicContact CG-CD2 3.82Å; Q117-F134 HydrophobicContact CG-CE1 3.89Å; Q117-F134 HydrophobicContact CG-CE2 3.82Å; Q117-F134 HydrophobicContact CG-CG 3.85Å; Q117-F134 HydrophobicContact CG-CZ 3.85Å; V120-F134 HydrophobicContact CG1-CE1 4.43Å; V120-F134 HydrophobicContact CG1-CZ 4.1Å; S121-F134 WeakPolarHBondContact OG-CE2 3.31Å; A132-F134 HydrophobicContact CB-CD2 4.48Å; A132-F134 HydrophobicContact CB-CE1 3.94Å; A132-F134 HydrophobicContact CB-CE2 3.8Å; A132-F134 HydrophobicContact CB-CZ 3.49Å; A132-F134 VanDerWaalsContact CB-CZ 3.49Å
135	L	94.8	Very high	94.8	Very high	18 Å²	18	53.5 Å²	53.5	9%	0.094	26%	0.264	C	S	.	.			trans	-130.1	143.6	174.6	-60.8	172.7	0	0	0	106.1	T133 L139 Q140 F143 A181 I184 F185	T133-L135 HydrophobicContact CG2-CD2 4.37Å; L135-L139 HydrophobicContact CB-CD2 4.4Å; L135-L139 HydrophobicContact CD2-CD2 3.86Å; L135-Q140 HydrophobicContact CB-CB 4.29Å; L135-F143 HydrophobicContact CD1-CD1 3.96Å; L135-F143 HydrophobicContact CD1-CE1 4.23Å; L135-A181 HydrophobicContact CD1-CB 4.07Å; L135-A181 HydrophobicContact CD2-CB 4.25Å; L135-I184 HydrophobicContact CD2-CB 3.97Å; L135-I184 HydrophobicContact CD2-CD1 3.67Å; L135-I184 HydrophobicContact CD2-CG1 4.44Å; L135-I184 HydrophobicContact CD2-CG2 3.93Å; L135-F185 HydrophobicContact CD1-CE2 3.97Å; L135-F185 HydrophobicContact CD1-CZ 4.34Å
136	S	93.8	Very high	94.6	Very high	72 Å²	72	50.3 Å²	50.3	50%	0.503	25%	0.249	S	C	.	.			trans	-63.3	151.4	174.5	58.6	0	0	0	0	110.4	E138 L139 Q140	S136-E138 VanDerWaalsContact C-N 3.31Å; S136-E138 PolarHBondContact O-N 3.03Å; S136-L139 PolarHBondContact O-N 2.64Å; S136-L139 VanDerWaalsContact OG-CB 3.29Å; S136-L139 WeakPolarHBondContact OG-CB 3.33Å; S136-Q140 WeakPolarHBondContact O-CB 3.47Å; S136-Q140 PolarHBondContact O-N 3.2Å
137	Q	92.2	Very high	94.6	Very high	123 Å²	123	43.7 Å²	43.7	58%	0.575	22%	0.218	S	C	*	.	H	α-helix	trans	-51.5	-48.9	-178.3	-174.3	-173.6	-12.9	0	0	112.2	L139 Q140 E141	Q137-L139 PolarHBondContact O-N 3.2Å; Q137-Q140 PolarHBondContact O-N 3.11Å; Q137-E141 HydrophobicContact CG-CG 4.47Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.49Å; Q137-E141 PolarHBondContact NE2-OE1 2.93Å; Q137-E141 WeakPolarHBondContact O-CB 3.31Å; Q137-E141 WeakPolarHBondContact O-CG 3.48Å; Q137-E141 PolarHBondContact O-N 2.86Å
138	E	94.9	Very high	94.6	Very high	143 Å²	143	38.2 Å²	38.2	67%	0.668	19%	0.192	S	C	*	.	H	α-helix	trans	-56.7	-46.9	175.9	179.9	-178.5	-157.1	0	0	112.4	S136 Q140 E141 M142	S136-E138 VanDerWaalsContact C-N 3.31Å; S136-E138 PolarHBondContact O-N 3.03Å; E138-Q140 PolarHBondContact O-N 3.32Å; E138-E141 PolarHBondContact O-N 2.88Å; E138-M142 HydrophobicContact CG-SD 4.15Å; E138-M142 WeakPolarHBondContact O-CB 3.44Å; E138-M142 WeakPolarHBondContact O-CG 3.25Å; E138-M142 PolarHBondContact O-N 3.23Å
139	L	95.5	Very high	94.3	Very high	28 Å²	28	37.6 Å²	37.6	15%	0.147	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-41.6	179	178.8	60.3	0	0	0	111.2	L135 S136 Q137 F143 A177 I184	L135-L139 HydrophobicContact CB-CD2 4.4Å; L135-L139 HydrophobicContact CD2-CD2 3.86Å; S136-L139 PolarHBondContact O-N 2.64Å; S136-L139 VanDerWaalsContact OG-CB 3.29Å; S136-L139 WeakPolarHBondContact OG-CB 3.33Å; Q137-L139 PolarHBondContact O-N 3.2Å; L139-F143 WeakPolarHBondContact O-CB 3.44Å; L139-F143 PolarHBondContact O-N 3.24Å; L139-A177 HydrophobicContact CD1-CB 3.81Å; L139-I184 HydrophobicContact CD2-CD1 3.62Å
140	Q	93.6	Very high	93.9	Very high	46 Å²	46	37.3 Å²	37.3	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-40.8	178.4	178.7	65.6	-15.4	0	0	111.7	L135 S136 Q137 E138 Y144	L135-Q140 HydrophobicContact CB-CB 4.29Å; S136-Q140 WeakPolarHBondContact O-CB 3.47Å; S136-Q140 PolarHBondContact O-N 3.2Å; Q137-Q140 PolarHBondContact O-N 3.11Å; E138-Q140 PolarHBondContact O-N 3.32Å; Q140-Y144 VanDerWaalsContact O-CB 3.31Å; Q140-Y144 WeakPolarHBondContact O-CB 2.96Å; Q140-Y144 PolarHBondContact O-N 3.38Å
141	E	92.8	Very high	93.5	Very high	92 Å²	92	38.4 Å²	38.4	43%	0.43	19%	0.191	S	C	.	.	I	π-helix	trans	-64.8	-47.9	174.9	-73	176.5	-168.5	0	0	111.1	Q137 E138 F143 L145 G146	Q137-E141 HydrophobicContact CG-CG 4.47Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.49Å; Q137-E141 PolarHBondContact NE2-OE1 2.93Å; Q137-E141 WeakPolarHBondContact O-CB 3.31Å; Q137-E141 WeakPolarHBondContact O-CG 3.48Å; Q137-E141 PolarHBondContact O-N 2.86Å; E138-E141 PolarHBondContact O-N 2.88Å; E141-F143 PolarHBondContact O-N 3.26Å; E141-L145 HydrophobicContact CG-CD1 4.35Å; E141-L145 WeakPolarHBondContact O-CA 3.46Å; E141-L145 WeakPolarHBondContact O-CB 3.2Å; E141-L145 PolarHBondContact O-N 2.9Å; E141-G146 PolarHBondContact O-N 3.02Å
142	M	94.7	Very high	93.4	Very high	51 Å²	51	37.8 Å²	37.8	25%	0.251	19%	0.187	S	C	.	.	I	π-helix	trans	-65.2	-38.8	177.4	-69.8	178.9	68.7	0	0	113.3	E138 G146 F147 R173 L174 A177	E138-M142 HydrophobicContact CG-SD 4.15Å; E138-M142 WeakPolarHBondContact O-CB 3.44Å; E138-M142 WeakPolarHBondContact O-CG 3.25Å; E138-M142 PolarHBondContact O-N 3.23Å; M142-G146 WeakPolarHBondContact O-CA 3.22Å; M142-F147 PolarHBondContact O-N 3.36Å; M142-R173 HydrophobicContact CE-CB 3.71Å; M142-R173 WeakPolarHBondContact CE-O 3.34Å; M142-L174 HydrophobicContact CB-CD2 3.85Å; M142-L174 HydrophobicContact CE-CD2 4.15Å; M142-L174 HydrophobicContact CG-CD2 4.02Å; M142-A177 HydrophobicContact CB-CB 3.48Å; M142-A177 VanDerWaalsContact CB-CB 3.48Å; M142-A177 HydrophobicContact CE-CB 4.09Å; M142-A177 HydrophobicContact SD-CB 4.5Å
143	F	95.4	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-73.1	-58.9	179.2	162.9	-127.4	0	0	0	112.1	N64 L135 L139 E141 F147 C148 Y178 A181 F185 H206	N64-F143 WeakPolarHBondContact OD1-CE1 3.22Å; N64-F143 WeakPolarHBondContact OD1-CZ 3.42Å; L135-F143 HydrophobicContact CD1-CD1 3.96Å; L135-F143 HydrophobicContact CD1-CE1 4.23Å; L139-F143 WeakPolarHBondContact O-CB 3.44Å; L139-F143 PolarHBondContact O-N 3.24Å; E141-F143 PolarHBondContact O-N 3.26Å; F143-F147 PolarHBondContact O-N 2.91Å; F143-C148 VanDerWaalsContact CE2-SG 3.53Å; F143-C148 WeakPolarHBondContact O-CB 3.41Å; F143-C148 PolarHBondContact O-N 3.48Å; F143-C148 PolarHBondContact O-SG 2.96Å; F143-Y178 AromaticContact CD2-CD2 3.66Å; F143-Y178 HydrophobicContact CD2-CD2 3.66Å; F143-Y178 HydrophobicContact CD2-CE2 4.49Å; F143-Y178 HydrophobicContact CD2-CG 4.27Å; F143-Y178 AromaticContact CE2-CD2 3.55Å; F143-Y178 HydrophobicContact CE2-CD2 3.55Å; F143-Y178 AromaticContact CE2-CE2 3.95Å; F143-Y178 HydrophobicContact CE2-CE2 3.95Å; F143-Y178 HydrophobicContact CE2-CG 4.38Å; F143-A181 HydrophobicContact CB-CB 3.97Å; F143-A181 HydrophobicContact CD1-CB 3.6Å; F143-A181 HydrophobicContact CD2-CB 3.81Å; F143-A181 HydrophobicContact CE1-CB 3.98Å; F143-A181 HydrophobicContact CE2-CB 4.14Å; F143-A181 HydrophobicContact CG-CB 3.5Å; F143-A181 VanDerWaalsContact CG-CB 3.5Å; F143-A181 HydrophobicContact CZ-CB 4.22Å; F143-F185 AromaticContact CE1-CE2 3.75Å; F143-F185 HydrophobicContact CE1-CE2 3.75Å; F143-F185 HydrophobicContact CE1-CZ 4.43Å; F143-F185 HydrophobicContact CZ-CE2 4.04Å; F143-H206 WeakPolarHBondContact CE2-O 2.95Å; F143-H206 HydrophobicContact CZ-CB 4.18Å
144	Y	93.7	Very high	92.8	Very high	46 Å²	46	39.4 Å²	39.4	18%	0.18	20%	0.195	C	C	.	.	I	π-helix	trans	-84.4	-47.1	-169.1	176.9	-96	0	0	0	112.3	Q140 C148 K149 H206 R378	Q140-Y144 VanDerWaalsContact O-CB 3.31Å; Q140-Y144 WeakPolarHBondContact O-CB 2.96Å; Q140-Y144 PolarHBondContact O-N 3.38Å; Y144-C148 VanDerWaalsContact O-CB 3.28Å; Y144-C148 WeakPolarHBondContact O-CB 3.42Å; Y144-K149 HydrophobicContact CE1-CG 4.23Å; Y144-K149 HydrophobicContact CE2-CG 4.46Å; Y144-K149 WeakPolarHBondContact O-CB 3.35Å; Y144-K149 WeakPolarHBondContact O-CG 3.04Å; Y144-K149 PolarHBondContact O-N 3.36Å; Y144-K149 VanDerWaalsContact O-N 3.09Å; Y144-K149 VanDerWaalsContact OH-CE 3.28Å; Y144-K149 WeakPolarHBondContact OH-CE 3.29Å; Y144-H206 AromaticContact CD2-CD2 3.89Å; Y144-H206 AromaticContact CD2-NE2 3.98Å; Y144-H206 AromaticContact CE2-NE2 3.59Å; Y144-R378 PolarHBondContact OH-O 3.21Å
145	L	89.8	Confident	92.7	Very high	48 Å²	48	38.4 Å²	38.4	25%	0.251	19%	0.191	S	C	.	.	I	π-helix	trans	-76.3	-57.2	177.1	-59.5	177	0	0	0	109.8	E141 K149 H150	E141-L145 HydrophobicContact CG-CD1 4.35Å; E141-L145 WeakPolarHBondContact O-CA 3.46Å; E141-L145 WeakPolarHBondContact O-CB 3.2Å; E141-L145 PolarHBondContact O-N 2.9Å; L145-K149 CarbonylContact O-C 3.37Å; L145-K149 WeakPolarHBondContact O-CA 3.49Å; L145-K149 VanDerWaalsContact O-CB 3.29Å; L145-K149 WeakPolarHBondContact O-CB 3.18Å; L145-K149 PolarHBondContact O-N 2.96Å; L145-K149 VanDerWaalsContact O-N 3.12Å; L145-H150 PolarHBondContact O-N 3.33Å; L145-H150 PolarHBondContact O-ND1 2.7Å; L145-H150 VanDerWaalsContact O-ND1 3.16Å
146	G	91.1	Very high	92.7	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	19%	0.186	C	C	.	.	I	π-helix	trans	-59.3	-82.6	-179.2	0	0	0	0	0	113.9	E141 M142 H150 Q151	E141-G146 PolarHBondContact O-N 3.02Å; M142-G146 WeakPolarHBondContact O-CA 3.22Å; G146-H150 WeakPolarHBondContact O-CA 3.27Å; G146-H150 WeakPolarHBondContact O-CB 3.41Å; G146-H150 PolarHBondContact O-N 2.69Å; G146-Q151 PolarHBondContact O-N 3.36Å
147	F	93.9	Very high	92.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-67.8	-43	-170.8	-160.4	-96.6	0	0	0	113.2	M142 F143 Q151 L152 F170 L174 W175 Y178 V242	M142-F147 PolarHBondContact O-N 3.36Å; F143-F147 PolarHBondContact O-N 2.91Å; F147-Q151 HydrophobicContact CD2-CG 4.45Å; F147-Q151 HydrophobicContact CE2-CG 4.25Å; F147-Q151 VanDerWaalsContact CE2-OE1 3.29Å; F147-Q151 WeakPolarHBondContact O-CB 3.35Å; F147-L152 HydrophobicContact CD1-CD1 3.71Å; F147-L152 HydrophobicContact CD1-CG 3.81Å; F147-L152 HydrophobicContact CE1-CD1 3.64Å; F147-L152 HydrophobicContact CE1-CD2 3.86Å; F147-L152 HydrophobicContact CE1-CG 3.6Å; F147-L152 HydrophobicContact CZ-CD2 4.4Å; F147-L152 HydrophobicContact CZ-CG 4.44Å; F147-L152 PolarHBondContact O-N 2.91Å; F147-F170 AromaticContact CE2-CE2 3.98Å; F147-F170 HydrophobicContact CE2-CE2 3.98Å; F147-L174 HydrophobicContact CB-CB 4.14Å; F147-L174 HydrophobicContact CD2-CB 4.08Å; F147-W175 HydrophobicContact CD2-CB 4.29Å; F147-W175 AromaticContact CE1-CE3 3.76Å; F147-W175 HydrophobicContact CE1-CE3 3.76Å; F147-W175 HydrophobicContact CE1-CZ3 4Å; F147-W175 HydrophobicContact CE2-CB 3.91Å; F147-W175 AromaticContact CE2-CE3 3.9Å; F147-W175 HydrophobicContact CE2-CE3 3.9Å; F147-W175 HydrophobicContact CZ-CD2 4.34Å; F147-W175 AromaticContact CZ-CE3 3.4Å; F147-W175 HydrophobicContact CZ-CE3 3.4Å; F147-W175 AromaticContact CZ-CZ3 3.91Å; F147-W175 HydrophobicContact CZ-CZ3 3.91Å; F147-Y178 HydrophobicContact CB-CD2 4.36Å; F147-Y178 HydrophobicContact CD1-CD1 4.13Å; F147-Y178 AromaticContact CD1-CD2 3.31Å; F147-Y178 HydrophobicContact CD1-CD2 3.31Å; F147-Y178 AromaticContact CD1-CE2 3.91Å; F147-Y178 HydrophobicContact CD1-CE2 3.91Å; F147-Y178 AromaticContact CD1-CG 3.43Å; F147-Y178 HydrophobicContact CD1-CG 3.43Å; F147-Y178 VanDerWaalsContact CD1-CG 3.43Å; F147-Y178 HydrophobicContact CE1-CD1 4.07Å; F147-Y178 AromaticContact CE1-CD2 3.96Å; F147-Y178 HydrophobicContact CE1-CD2 3.96Å; F147-Y178 HydrophobicContact CE1-CE1 4.38Å; F147-Y178 HydrophobicContact CE1-CE2 4.26Å; F147-Y178 AromaticContact CE1-CG 3.84Å; F147-Y178 HydrophobicContact CE1-CG 3.84Å; F147-Y178 HydrophobicContact CG-CD2 4.17Å; F147-Y178 HydrophobicContact CG-CG 4.14Å; F147-V242 HydrophobicContact CZ-CG2 3.95Å
148	C	94.4	Very high	92.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-74	-44.1	-177.7	-72.3	0	0	0	0	113	F143 Y144 W153 Y205	F143-C148 VanDerWaalsContact CE2-SG 3.53Å; F143-C148 WeakPolarHBondContact O-CB 3.41Å; F143-C148 PolarHBondContact O-N 3.48Å; F143-C148 PolarHBondContact O-SG 2.96Å; Y144-C148 VanDerWaalsContact O-CB 3.28Å; Y144-C148 WeakPolarHBondContact O-CB 3.42Å; C148-W153 VanDerWaalsContact O-CB 3.27Å; C148-W153 WeakPolarHBondContact O-CB 3.3Å; C148-W153 PolarHBondContact O-N 2.89Å; C148-Y205 HydrophobicContact CB-CE2 3.85Å; C148-Y205 WeakPolarHBondContact O-CE2 3.47Å
149	K	89.9	Confident	92.4	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.03	13%	0.131	C	C	.	.	I	π-helix	trans	-100.7	-28.9	-173.5	-69.9	-62.6	-167.3	-169.9	0	116	Y144 L145 W153 P154 Y205	Y144-K149 HydrophobicContact CE1-CG 4.23Å; Y144-K149 HydrophobicContact CE2-CG 4.46Å; Y144-K149 WeakPolarHBondContact O-CB 3.35Å; Y144-K149 WeakPolarHBondContact O-CG 3.04Å; Y144-K149 PolarHBondContact O-N 3.36Å; Y144-K149 VanDerWaalsContact O-N 3.09Å; Y144-K149 VanDerWaalsContact OH-CE 3.28Å; Y144-K149 WeakPolarHBondContact OH-CE 3.29Å; L145-K149 CarbonylContact O-C 3.37Å; L145-K149 WeakPolarHBondContact O-CA 3.49Å; L145-K149 VanDerWaalsContact O-CB 3.29Å; L145-K149 WeakPolarHBondContact O-CB 3.18Å; L145-K149 PolarHBondContact O-N 2.96Å; L145-K149 VanDerWaalsContact O-N 3.12Å; K149-W153 HydrophobicContact CD-CB 4.09Å; K149-W153 HydrophobicContact CD-CD2 4.45Å; K149-W153 HydrophobicContact CD-CG 4.07Å; K149-P154 WeakPolarHBondContact O-CD 3.3Å; K149-Y205 VanDerWaalsContact CE-OH 3.25Å; K149-Y205 WeakPolarHBondContact CE-OH 3.27Å; K149-Y205 PolarHBondContact NZ-OH 2.98Å
150	H	86.7	Confident	91.8	Very high	58 Å²	58	29 Å²	29	27%	0.269	14%	0.137	S	C	.	.	I	π-helix	trans	-92.7	-16.6	174.3	-56.8	128.8	0	0	0	114	L145 G146 S380	L145-H150 PolarHBondContact O-N 3.33Å; L145-H150 PolarHBondContact O-ND1 2.7Å; L145-H150 VanDerWaalsContact O-ND1 3.16Å; G146-H150 WeakPolarHBondContact O-CA 3.27Å; G146-H150 WeakPolarHBondContact O-CB 3.41Å; G146-H150 PolarHBondContact O-N 2.69Å; H150-S380 PolarHBondContact NE2-O 3.21Å
151	Q	89.2	Confident	90.8	Very high	24 Å²	24	30 Å²	30	11%	0.112	15%	0.148	C	C	.	.	I	π-helix	trans	-119.7	-59.2	-177.8	-178.9	136.5	90.7	0	0	115.2	G146 F147 L155 L240	G146-Q151 PolarHBondContact O-N 3.36Å; F147-Q151 HydrophobicContact CD2-CG 4.45Å; F147-Q151 HydrophobicContact CE2-CG 4.25Å; F147-Q151 VanDerWaalsContact CE2-OE1 3.29Å; F147-Q151 WeakPolarHBondContact O-CB 3.35Å; Q151-L155 VanDerWaalsContact O-CB 3.32Å; Q151-L155 WeakPolarHBondContact O-CB 3.49Å; Q151-L155 PolarHBondContact O-N 2.99Å; Q151-L240 HydrophobicContact CG-CD1 4.27Å
152	L	93.7	Very high	89.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-69.4	-47.8	-178.4	-71.4	177.3	0	0	0	112.3	F147 L155 F156 Y178 Y205 M208 L240 I246	F147-L152 HydrophobicContact CD1-CD1 3.71Å; F147-L152 HydrophobicContact CD1-CG 3.81Å; F147-L152 HydrophobicContact CE1-CD1 3.64Å; F147-L152 HydrophobicContact CE1-CD2 3.86Å; F147-L152 HydrophobicContact CE1-CG 3.6Å; F147-L152 HydrophobicContact CZ-CD2 4.4Å; F147-L152 HydrophobicContact CZ-CG 4.44Å; F147-L152 PolarHBondContact O-N 2.91Å; L152-L155 PolarHBondContact O-N 2.96Å; L152-F156 HydrophobicContact CD2-CE1 4.19Å; L152-F156 HydrophobicContact CD2-CZ 4.46Å; L152-F156 WeakPolarHBondContact O-CB 3.39Å; L152-F156 WeakPolarHBondContact O-CD1 3.48Å; L152-F156 PolarHBondContact O-N 2.98Å; L152-Y178 HydrophobicContact CD1-CD2 4.37Å; L152-Y178 HydrophobicContact CD1-CE2 3.67Å; L152-Y205 HydrophobicContact CB-CD2 3.92Å; L152-Y205 HydrophobicContact CB-CE2 4.45Å; L152-Y205 HydrophobicContact CD1-CD2 3.98Å; L152-Y205 WeakPolarHBondContact CD1-O 3.43Å; L152-M208 HydrophobicContact CD1-CE 3.74Å; L152-M208 HydrophobicContact CD2-CE 3.9Å; L152-M208 HydrophobicContact CG-CE 4.47Å; L152-L240 HydrophobicContact CD2-CD2 4.14Å; L152-I246 HydrophobicContact CD2-CD1 4.19Å
153	W	92.6	Very high	88.4	Confident	22 Å²	22	36.3 Å²	36.3	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-47.6	-176	-177.9	-102.8	0	0	0	113.4	C148 K149 H157 Y205 D342 F344	C148-W153 VanDerWaalsContact O-CB 3.27Å; C148-W153 WeakPolarHBondContact O-CB 3.3Å; C148-W153 PolarHBondContact O-N 2.89Å; K149-W153 HydrophobicContact CD-CB 4.09Å; K149-W153 HydrophobicContact CD-CD2 4.45Å; K149-W153 HydrophobicContact CD-CG 4.07Å; W153-H157 AromaticContact CD2-CE1 3.67Å; W153-H157 AromaticContact CD2-ND1 3.83Å; W153-H157 AromaticContact CE2-CE1 3.75Å; W153-H157 AromaticContact CE3-CE1 3.55Å; W153-H157 AromaticContact CH2-CE1 3.66Å; W153-H157 AromaticContact CZ2-CE1 3.77Å; W153-H157 AromaticContact CZ3-CE1 3.56Å; W153-H157 PolarHBondContact O-N 2.78Å; W153-H157 PolarHBondContact O-ND1 3.01Å; W153-Y205 HydrophobicContact CE3-CD1 4.42Å; W153-Y205 AromaticContact CE3-CE1 3.5Å; W153-Y205 HydrophobicContact CE3-CE1 3.5Å; W153-Y205 AromaticContact CE3-CZ 3.62Å; W153-Y205 AromaticContact CZ3-CE1 3.76Å; W153-Y205 HydrophobicContact CZ3-CE1 3.76Å; W153-D342 WeakPolarHBondContact CZ2-OD2 3.37Å; W153-D342 PolarHBondContact NE1-OD2 3.37Å; W153-F344 AromaticContact CD1-CE2 3.96Å; W153-F344 AromaticContact NE1-CD2 3.75Å
154	P	90.6	Very high	86.7	Confident	15 Å²	15	40.7 Å²	40.7	10%	0.097	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-43.4	178.4	-20.7	35.3	0	0	0	112.2	K149 F156 H157 Y158 M159 F344	K149-P154 WeakPolarHBondContact O-CD 3.3Å; P154-F156 PolarHBondContact O-N 2.79Å; P154-H157 CarbonylContact O-C 3.55Å; P154-H157 VanDerWaalsContact O-C 3.25Å; P154-H157 WeakPolarHBondContact O-CA 3.21Å; P154-H157 PolarHBondContact O-N 3Å; P154-H157 VanDerWaalsContact O-N 3.07Å; P154-Y158 PolarHBondContact O-N 3.03Å; P154-Y158 VanDerWaalsContact O-N 3.1Å; P154-M159 CarbonylContact C-O 3.58Å; P154-M159 HydrophobicContact CB-CB 3.92Å; P154-M159 HydrophobicContact CB-CG 4.21Å; P154-M159 HydrophobicContact CB-SD 4.39Å; P154-M159 PolarHBondContact O-N 3.27Å; P154-F344 HydrophobicContact CB-CE2 4.47Å; P154-F344 HydrophobicContact CB-CZ 4.15Å
155	L	92.6	Very high	84.9	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-45.8	179.7	-177.6	72.1	0	0	0	112.1	Q151 L152 H157 Y158 L160 I236 T239 L240	Q151-L155 VanDerWaalsContact O-CB 3.32Å; Q151-L155 WeakPolarHBondContact O-CB 3.49Å; Q151-L155 PolarHBondContact O-N 2.99Å; L152-L155 PolarHBondContact O-N 2.96Å; L155-H157 PolarHBondContact O-N 2.64Å; L155-Y158 PolarHBondContact O-N 3.45Å; L155-L160 HydrophobicContact CD1-CD2 4.01Å; L155-I236 HydrophobicContact CD1-CG2 3.65Å; L155-I236 HydrophobicContact CG-CG2 4.24Å; L155-I236 WeakPolarHBondContact O-CG2 3.28Å; L155-T239 WeakPolarHBondContact CD1-OG1 3.32Å; L155-L240 HydrophobicContact CD2-CB 3.77Å; L155-L240 HydrophobicContact CD2-CD1 4.28Å; L155-L240 HydrophobicContact CD2-CD2 4.09Å; L155-L240 HydrophobicContact CD2-CG 4.27Å
156	F	95.3	Very high	83.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.2	-23.3	-180	-78.8	29.8	0	0	0	111.7	L152 P154 M208 L227 P230 F231 P232 Y237	L152-F156 HydrophobicContact CD2-CE1 4.19Å; L152-F156 HydrophobicContact CD2-CZ 4.46Å; L152-F156 WeakPolarHBondContact O-CB 3.39Å; L152-F156 WeakPolarHBondContact O-CD1 3.48Å; L152-F156 PolarHBondContact O-N 2.98Å; P154-F156 PolarHBondContact O-N 2.79Å; F156-M208 HydrophobicContact CE2-CE 4.29Å; F156-M208 HydrophobicContact CE2-SD 4.1Å; F156-M208 HydrophobicContact CZ-CE 3.86Å; F156-M208 HydrophobicContact CZ-SD 4.02Å; F156-L227 HydrophobicContact CD2-CD2 4.45Å; F156-L227 HydrophobicContact CE2-CD1 4.24Å; F156-L227 HydrophobicContact CE2-CD2 4.2Å; F156-P230 WeakPolarHBondContact CB-O 3.29Å; F156-P230 VanDerWaalsContact CD2-O 3.23Å; F156-P230 WeakPolarHBondContact CD2-O 3.47Å; F156-F231 HydrophobicContact CE2-CD2 4.45Å; F156-F231 HydrophobicContact CZ-CE2 4.42Å; F156-P232 HydrophobicContact CD1-CG 3.78Å; F156-P232 HydrophobicContact CE1-CG 4.18Å; F156-P232 HydrophobicContact CG-CG 4.27Å; F156-Y237 HydrophobicContact CE1-CD2 4.21Å; F156-Y237 HydrophobicContact CE1-CE2 4.04Å; F156-Y237 HydrophobicContact CZ-CE2 4.27Å
157	H	93.4	Very high	81.5	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.028	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	18.1	170.6	-63.4	84.5	0	0	0	113.8	W153 P154 L155 M159 P230 F344 R438	W153-H157 AromaticContact CD2-CE1 3.67Å; W153-H157 AromaticContact CD2-ND1 3.83Å; W153-H157 AromaticContact CE2-CE1 3.75Å; W153-H157 AromaticContact CE3-CE1 3.55Å; W153-H157 AromaticContact CH2-CE1 3.66Å; W153-H157 AromaticContact CZ2-CE1 3.77Å; W153-H157 AromaticContact CZ3-CE1 3.56Å; W153-H157 PolarHBondContact O-N 2.78Å; W153-H157 PolarHBondContact O-ND1 3.01Å; P154-H157 CarbonylContact O-C 3.55Å; P154-H157 VanDerWaalsContact O-C 3.25Å; P154-H157 WeakPolarHBondContact O-CA 3.21Å; P154-H157 PolarHBondContact O-N 3Å; P154-H157 VanDerWaalsContact O-N 3.07Å; L155-H157 PolarHBondContact O-N 2.64Å; H157-M159 VanDerWaalsContact C-N 3.31Å; H157-M159 PolarHBondContact O-N 3.25Å; H157-P230 VanDerWaalsContact NE2-CD 3.33Å; H157-P230 WeakPolarHBondContact NE2-CD 3.18Å; H157-F344 HydrophobicContact CB-CB 4.48Å; H157-F344 HydrophobicContact CB-CD1 3.49Å; H157-F344 VanDerWaalsContact CB-CD1 3.49Å; H157-F344 HydrophobicContact CB-CD2 3.72Å; H157-F344 HydrophobicContact CB-CE1 3.53Å; H157-F344 HydrophobicContact CB-CE2 3.77Å; H157-F344 HydrophobicContact CB-CG 3.61Å; H157-F344 HydrophobicContact CB-CZ 3.69Å; H157-F344 AromaticContact CG-CD2 3.91Å; H157-F344 AromaticContact CG-CG 3.95Å; H157-R438 HydrophobicContact CB-CB 4.45Å; H157-R438 PolarHBondContact CD2-O 3.23Å
158	Y	92.9	Very high	80	Confident	66 Å²	66	48.6 Å²	48.6	26%	0.259	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	18.8	171.9	-70.3	-126.9	0	0	0	115.1	P154 L155 P232 S233 I236 H266 R438	P154-Y158 PolarHBondContact O-N 3.03Å; P154-Y158 VanDerWaalsContact O-N 3.1Å; L155-Y158 PolarHBondContact O-N 3.45Å; Y158-P232 HydrophobicContact CD2-CB 4.25Å; Y158-P232 HydrophobicContact CE2-CB 3.84Å; Y158-S233 PolarHBondContact OH-N 3.42Å; Y158-I236 HydrophobicContact CD1-CG1 3.83Å; Y158-I236 HydrophobicContact CE1-CG1 4.08Å; Y158-I236 HydrophobicContact CG-CG1 4.38Å; Y158-H266 PolarHBondContact OH-CD2 3.2Å; Y158-H266 PolarHBondContact OH-NE2 2.69Å; Y158-R438 VanDerWaalsContact CD2-CD 3.43Å
159	M	88	Confident	79	Confident	58 Å²	58	58.5 Å²	58.5	29%	0.286	29%	0.289	S	S	.	.			trans	-89.7	115.9	167.6	-178.8	166.4	-73.2	0	0	109.9	P154 H157 I343 F344	P154-M159 CarbonylContact C-O 3.58Å; P154-M159 HydrophobicContact CB-CB 3.92Å; P154-M159 HydrophobicContact CB-CG 4.21Å; P154-M159 HydrophobicContact CB-SD 4.39Å; P154-M159 PolarHBondContact O-N 3.27Å; H157-M159 VanDerWaalsContact C-N 3.31Å; H157-M159 PolarHBondContact O-N 3.25Å; M159-I343 HydrophobicContact CE-CD1 3.64Å; M159-I343 HydrophobicContact CE-CG1 4.37Å; M159-I343 HydrophobicContact SD-CD1 3.66Å; M159-F344 HydrophobicContact CB-CE1 3.89Å; M159-F344 HydrophobicContact CB-CZ 3.72Å; M159-F344 HydrophobicContact CE-CE1 4.08Å; M159-F344 HydrophobicContact CE-CZ 4.18Å; M159-F344 HydrophobicContact SD-CZ 4.07Å
160	L	83.2	Confident	78.9	Confident	55 Å²	55	60.9 Å²	60.9	29%	0.288	30%	0.299	S	S	.	.			trans	-88.7	143.5	173.3	-66.8	176.9	0	0	0	110.3	L155 M162 I236 T239	L155-L160 HydrophobicContact CD1-CD2 4.01Å; L160-M162 HydrophobicContact CB-CG 3.97Å; L160-M162 HydrophobicContact CB-SD 4.21Å; L160-M162 PolarHBondContact O-N 3.32Å; L160-I236 HydrophobicContact CD1-CD1 3.99Å; L160-I236 HydrophobicContact CD2-CD1 4.05Å; L160-I236 HydrophobicContact CD2-CG2 4.13Å; L160-I236 HydrophobicContact CG-CD1 4.06Å; L160-T239 HydrophobicContact CD2-CG2 3.9Å; L160-T239 WeakPolarHBondContact CD2-OG1 3.34Å
161	P	73.7	Confident	79	Confident	67 Å²	67	59.9 Å²	59.9	44%	0.435	30%	0.296	S	S	.	.			trans	-74.3	67.5	176.8	32.4	-36.3	0	0	0	111.3	G167	P161-G167 VanDerWaalsContact CB-O 3.25Å; P161-G167 WeakPolarHBondContact CB-O 3.17Å
162	M	71.2	Confident	79.1	Confident	142 Å²	142	65.2 Å²	65.2	70%	0.7	32%	0.315	S	S	*	.			trans	-77.1	-26.6	-177.2	-65.6	-63.6	-68.5	0	0	112.7	L160	L160-M162 HydrophobicContact CB-CG 3.97Å; L160-M162 HydrophobicContact CB-SD 4.21Å; L160-M162 PolarHBondContact O-N 3.32Å
163	F	64.5	Low	79.2	Confident	134 Å²	134	72.7 Å²	72.7	59%	0.588	34%	0.343	S	S	*	.	S	Bend	trans	-132.5	142.8	-178	-58.8	-74.6	0	0	0	109.8	D165 H166	F163-D165 PolarHBondContact O-N 2.63Å; F163-H166 PolarHBondContact O-N 3.23Å
164	P	59.6	Low	79.4	Confident	93 Å²	93	73.1 Å²	73.1	60%	0.604	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.3	178.3	-23.3	34.2	0	0	0	114.8
165	D	57	Low	79.7	Confident	81 Å²	81	73 Å²	73	43%	0.433	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.2	178	-63.3	-75.4	0	0	0	113.9	F163 K382	F163-D165 PolarHBondContact O-N 2.63Å; D165-K382 HydrophobicContact CB-CD 4.3Å; D165-K382 IonicContact OD1-NZ 3.57Å; D165-K382 PolarHBondContact OD1-NZ 3.38Å
166	H	54.5	Low	79.9	Confident	64 Å²	64	77.9 Å²	77.9	30%	0.296	37%	0.367	S	S	.	.	S	Bend	trans	-132	60.8	-170	-59.3	-56.4	0	0	0	111.5	F163 D383 E386	F163-H166 PolarHBondContact O-N 3.23Å; H166-D383 IonicContact CE1-OD1 2.67Å; H166-D383 IonicContact CG-OD1 3.56Å; H166-D383 IonicContact ND1-OD1 2.67Å; H166-D383 PolarHBondContact ND1-OD1 2.85Å; H166-E386 IonicContact CE1-OE2 2.73Å
167	G	55.4	Low	80	Confident	16 Å²	16	78.1 Å²	78.1	17%	0.165	37%	0.369	C	S	.	.	S	Bend	trans	106.9	115.4	-176.4	0	0	0	0	0	112.4	P161	P161-G167 VanDerWaalsContact CB-O 3.25Å; P161-G167 WeakPolarHBondContact CB-O 3.17Å
168	D	61.2	Low	80.2	Confident	104 Å²	104	77.8 Å²	77.8	56%	0.556	37%	0.367	S	S	*	.			trans	-64.9	152.2	179.4	-93.6	-55.4	0	0	0	112.8
169	R	74.7	Confident	80.5	Confident	209 Å²	209	76.1 Å²	76.1	79%	0.789	36%	0.364	S	S	*	.			trans	-61.1	147.4	169.5	-64.9	-176.9	179.6	-174.1	0.2	109.6	D171	R169-D171 PolarHBondContact O-N 3.35Å
170	F	86.5	Confident	81	Confident	57 Å²	57	76 Å²	76	25%	0.25	37%	0.369	C	S	.	.			trans	-52.3	114.1	179.4	-179.9	-88.9	0	0	0	112.5	F147 R172 W175 L240 P241 V242	F147-F170 AromaticContact CE2-CE2 3.98Å; F147-F170 HydrophobicContact CE2-CE2 3.98Å; F170-R172 HydrophobicContact CE1-CB 4.36Å; F170-W175 HydrophobicContact CE2-CB 4.35Å; F170-W175 HydrophobicContact CZ-CB 3.81Å; F170-W175 HydrophobicContact CZ-CG 4.2Å; F170-L240 HydrophobicContact CD2-CD1 4.41Å; F170-L240 HydrophobicContact CE2-CD1 4.48Å; F170-P241 HydrophobicContact CB-CG 3.89Å; F170-P241 HydrophobicContact CD1-CB 4.19Å; F170-P241 HydrophobicContact CD1-CG 4.01Å; F170-P241 HydrophobicContact CD2-CB 4.26Å; F170-P241 HydrophobicContact CD2-CG 3.82Å; F170-P241 HydrophobicContact CE1-CB 4.29Å; F170-P241 HydrophobicContact CE2-CB 4.35Å; F170-P241 HydrophobicContact CE2-CG 4.4Å; F170-P241 HydrophobicContact CG-CB 4.19Å; F170-P241 HydrophobicContact CG-CG 3.62Å; F170-P241 HydrophobicContact CZ-CB 4.38Å; F170-V242 HydrophobicContact CE2-CG1 3.99Å; F170-V242 HydrophobicContact CE2-CG2 3.9Å; F170-V242 HydrophobicContact CZ-CG1 3.56Å; F170-V242 HydrophobicContact CZ-CG2 4.3Å
171	D	88.4	Confident	81.7	Confident	37 Å²	37	73.4 Å²	73.4	20%	0.198	36%	0.355	C	S	.	.			trans	-101.7	116.5	175.5	-173.4	-12.9	0	0	0	110.1	R169 R173 L174 W175	R169-D171 PolarHBondContact O-N 3.35Å; D171-R173 PolarHBondContact O-N 2.89Å; D171-R173 VanDerWaalsContact O-N 3.15Å; D171-R173 VanDerWaalsContact OD1-CB 3.23Å; D171-R173 WeakPolarHBondContact OD1-CB 3.25Å; D171-R173 VanDerWaalsContact OD1-CG 3.29Å; D171-R173 WeakPolarHBondContact OD1-CG 3.45Å; D171-R173 PolarHBondContact OD1-N 2.69Å; D171-R173 IonicContact OD1-NE 2.61Å; D171-R173 PolarHBondContact OD1-NE 2.72Å; D171-R173 VanDerWaalsContact OD1-NE 3.14Å; D171-R173 IonicContact OD2-CZ 2.78Å; D171-R173 IonicContact OD2-NE 2.69Å; D171-R173 PolarHBondContact OD2-NE 3.25Å; D171-R173 IonicContact OD2-NH2 2.64Å; D171-R173 PolarHBondContact OD2-NH2 2.96Å; D171-L174 HydrophobicContact CB-CB 4.37Å; D171-L174 HydrophobicContact CB-CD1 4.04Å; D171-L174 HydrophobicContact CB-CG 3.91Å; D171-L174 PolarHBondContact O-N 3.08Å; D171-L174 VanDerWaalsContact O-N 3.13Å; D171-W175 PolarHBondContact O-N 2.95Å
172	R	93.2	Very high	82.9	Confident	135 Å²	135	70.2 Å²	70.2	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-26	178.2	-165.4	67.1	168	172.7	-3.4	112.4	F170 Q176 E245	F170-R172 HydrophobicContact CE1-CB 4.36Å; R172-Q176 VanDerWaalsContact O-CG 3.29Å; R172-Q176 WeakPolarHBondContact O-CG 3.49Å; R172-Q176 PolarHBondContact O-N 2.82Å; R172-Q176 PolarHBondContact O-OE1 3.02Å; R172-E245 IonicContact NH1-OE1 3.46Å
173	R	95.6	Very high	84.1	Confident	158 Å²	158	68.2 Å²	68.2	60%	0.596	32%	0.322	S	S	*	.	H	α-helix	trans	-71.4	-40.7	177.4	-56	175	-63.7	169.1	4.7	111.8	M142 D171 W175 Q176 A177	M142-R173 HydrophobicContact CE-CB 3.71Å; M142-R173 WeakPolarHBondContact CE-O 3.34Å; D171-R173 PolarHBondContact O-N 2.89Å; D171-R173 VanDerWaalsContact O-N 3.15Å; D171-R173 VanDerWaalsContact OD1-CB 3.23Å; D171-R173 WeakPolarHBondContact OD1-CB 3.25Å; D171-R173 VanDerWaalsContact OD1-CG 3.29Å; D171-R173 WeakPolarHBondContact OD1-CG 3.45Å; D171-R173 PolarHBondContact OD1-N 2.69Å; D171-R173 IonicContact OD1-NE 2.61Å; D171-R173 PolarHBondContact OD1-NE 2.72Å; D171-R173 VanDerWaalsContact OD1-NE 3.14Å; D171-R173 IonicContact OD2-CZ 2.78Å; D171-R173 IonicContact OD2-NE 2.69Å; D171-R173 PolarHBondContact OD2-NE 3.25Å; D171-R173 IonicContact OD2-NH2 2.64Å; D171-R173 PolarHBondContact OD2-NH2 2.96Å; R173-W175 VanDerWaalsContact C-N 3.31Å; R173-W175 PolarHBondContact O-N 2.87Å; R173-Q176 WeakPolarHBondContact O-CB 3.35Å; R173-Q176 PolarHBondContact O-N 2.94Å; R173-A177 PolarHBondContact O-N 2.91Å
174	L	95.4	Very high	85.8	Confident	31 Å²	31	64.1 Å²	64.1	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-38.1	174.7	-61.4	-176.6	0	0	0	110.9	M142 F147 D171 A177 Y178	M142-L174 HydrophobicContact CB-CD2 3.85Å; M142-L174 HydrophobicContact CE-CD2 4.15Å; M142-L174 HydrophobicContact CG-CD2 4.02Å; F147-L174 HydrophobicContact CB-CB 4.14Å; F147-L174 HydrophobicContact CD2-CB 4.08Å; D171-L174 HydrophobicContact CB-CB 4.37Å; D171-L174 HydrophobicContact CB-CD1 4.04Å; D171-L174 HydrophobicContact CB-CG 3.91Å; D171-L174 PolarHBondContact O-N 3.08Å; D171-L174 VanDerWaalsContact O-N 3.13Å; L174-A177 PolarHBondContact O-N 3.05Å; L174-Y178 PolarHBondContact O-N 2.86Å
175	W	96.6	Very high	87.6	Confident	11 Å²	11	59.7 Å²	59.7	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-44.7	170.3	173.5	-122	0	0	0	112.5	F147 F170 D171 R173 A177 Y178 V179 V209 V242 E245 I246 L558	F147-W175 HydrophobicContact CD2-CB 4.29Å; F147-W175 AromaticContact CE1-CE3 3.76Å; F147-W175 HydrophobicContact CE1-CE3 3.76Å; F147-W175 HydrophobicContact CE1-CZ3 4Å; F147-W175 HydrophobicContact CE2-CB 3.91Å; F147-W175 AromaticContact CE2-CE3 3.9Å; F147-W175 HydrophobicContact CE2-CE3 3.9Å; F147-W175 HydrophobicContact CZ-CD2 4.34Å; F147-W175 AromaticContact CZ-CE3 3.4Å; F147-W175 HydrophobicContact CZ-CE3 3.4Å; F147-W175 AromaticContact CZ-CZ3 3.91Å; F147-W175 HydrophobicContact CZ-CZ3 3.91Å; F170-W175 HydrophobicContact CE2-CB 4.35Å; F170-W175 HydrophobicContact CZ-CB 3.81Å; F170-W175 HydrophobicContact CZ-CG 4.2Å; D171-W175 PolarHBondContact O-N 2.95Å; R173-W175 VanDerWaalsContact C-N 3.31Å; R173-W175 PolarHBondContact O-N 2.87Å; W175-A177 VanDerWaalsContact C-N 3.32Å; W175-A177 PolarHBondContact O-N 3.31Å; W175-Y178 AromaticContact CE3-CD1 3.78Å; W175-Y178 HydrophobicContact CE3-CD1 3.78Å; W175-Y178 HydrophobicContact CE3-CG 4.36Å; W175-Y178 HydrophobicContact CH2-CD1 4.45Å; W175-Y178 AromaticContact CZ3-CD1 3.45Å; W175-Y178 HydrophobicContact CZ3-CD1 3.45Å; W175-Y178 VanDerWaalsContact CZ3-CD1 3.45Å; W175-Y178 AromaticContact CZ3-CE1 3.79Å; W175-Y178 HydrophobicContact CZ3-CE1 3.79Å; W175-Y178 HydrophobicContact CZ3-CG 4.41Å; W175-Y178 PolarHBondContact O-N 2.91Å; W175-V179 HydrophobicContact CD2-CG2 3.77Å; W175-V179 HydrophobicContact CE3-CG2 3.96Å; W175-V179 HydrophobicContact CG-CG2 4.46Å; W175-V179 HydrophobicContact CH2-CG2 3.96Å; W175-V179 HydrophobicContact CZ2-CG2 3.7Å; W175-V179 HydrophobicContact CZ3-CG2 4.06Å; W175-V179 WeakPolarHBondContact O-CG2 3.48Å; W175-V179 PolarHBondContact O-N 2.81Å; W175-V209 HydrophobicContact CH2-CG1 3.86Å; W175-V209 HydrophobicContact CZ3-CG1 4.46Å; W175-V242 HydrophobicContact CD2-CB 4.14Å; W175-V242 HydrophobicContact CD2-CG1 3.92Å; W175-V242 HydrophobicContact CD2-CG2 3.93Å; W175-V242 HydrophobicContact CE3-CB 4.43Å; W175-V242 HydrophobicContact CE3-CG2 3.83Å; W175-V242 HydrophobicContact CG-CG1 4.01Å; W175-V242 HydrophobicContact CH2-CB 4.08Å; W175-V242 HydrophobicContact CH2-CG2 4.04Å; W175-V242 HydrophobicContact CZ2-CB 3.8Å; W175-V242 HydrophobicContact CZ2-CG1 4.08Å; W175-V242 HydrophobicContact CZ2-CG2 4.18Å; W175-V242 HydrophobicContact CZ3-CB 4.4Å; W175-V242 HydrophobicContact CZ3-CG2 3.88Å; W175-E245 HydrophobicContact CH2-CB 4.08Å; W175-E245 HydrophobicContact CZ2-CB 3.71Å; W175-E245 HydrophobicContact CZ2-CG 4.19Å; W175-I246 HydrophobicContact CH2-CD1 4.27Å; W175-I246 HydrophobicContact CH2-CG1 3.78Å; W175-I246 HydrophobicContact CZ3-CD1 4Å; W175-I246 HydrophobicContact CZ3-CG1 3.97Å; W175-L558 HydrophobicContact CH2-CD1 4.06Å; W175-L558 HydrophobicContact CZ2-CD1 3.53Å
176	Q	97.3	Very high	89.5	Confident	111 Å²	111	55.8 Å²	55.8	52%	0.519	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-39.7	175.4	-75	165.4	-38.2	0	0	112.2	R172 R173 S180	R172-Q176 VanDerWaalsContact O-CG 3.29Å; R172-Q176 WeakPolarHBondContact O-CG 3.49Å; R172-Q176 PolarHBondContact O-N 2.82Å; R172-Q176 PolarHBondContact O-OE1 3.02Å; R173-Q176 WeakPolarHBondContact O-CB 3.35Å; R173-Q176 PolarHBondContact O-N 2.94Å; Q176-S180 VanDerWaalsContact O-CB 3.28Å; Q176-S180 WeakPolarHBondContact O-CB 3.45Å; Q176-S180 PolarHBondContact O-N 3.43Å; Q176-S180 PolarHBondContact O-OG 2.87Å
177	A	97.9	Very high	91.6	Very high	5 Å²	5	55.4 Å²	55.4	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-47.3	171	0	0	0	0	0	112.1	L139 M142 R173 L174 W175 V179 S180 A181	L139-A177 HydrophobicContact CD1-CB 3.81Å; M142-A177 HydrophobicContact CB-CB 3.48Å; M142-A177 VanDerWaalsContact CB-CB 3.48Å; M142-A177 HydrophobicContact CE-CB 4.09Å; M142-A177 HydrophobicContact SD-CB 4.5Å; R173-A177 PolarHBondContact O-N 2.91Å; L174-A177 PolarHBondContact O-N 3.05Å; W175-A177 VanDerWaalsContact C-N 3.32Å; W175-A177 PolarHBondContact O-N 3.31Å; A177-V179 PolarHBondContact O-N 3.04Å; A177-S180 PolarHBondContact O-N 2.61Å; A177-S180 VanDerWaalsContact O-N 3.16Å; A177-A181 WeakPolarHBondContact O-CB 3.24Å; A177-A181 PolarHBondContact O-N 2.87Å
178	Y	98.3	Very high	93.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-46.5	177.5	179.5	-91	0	0	0	113	F143 F147 L152 L174 W175 S180 N182 Y205 H206 M208 V209	F143-Y178 AromaticContact CD2-CD2 3.66Å; F143-Y178 HydrophobicContact CD2-CD2 3.66Å; F143-Y178 HydrophobicContact CD2-CE2 4.49Å; F143-Y178 HydrophobicContact CD2-CG 4.27Å; F143-Y178 AromaticContact CE2-CD2 3.55Å; F143-Y178 HydrophobicContact CE2-CD2 3.55Å; F143-Y178 AromaticContact CE2-CE2 3.95Å; F143-Y178 HydrophobicContact CE2-CE2 3.95Å; F143-Y178 HydrophobicContact CE2-CG 4.38Å; F147-Y178 HydrophobicContact CB-CD2 4.36Å; F147-Y178 HydrophobicContact CD1-CD1 4.13Å; F147-Y178 AromaticContact CD1-CD2 3.31Å; F147-Y178 HydrophobicContact CD1-CD2 3.31Å; F147-Y178 AromaticContact CD1-CE2 3.91Å; F147-Y178 HydrophobicContact CD1-CE2 3.91Å; F147-Y178 AromaticContact CD1-CG 3.43Å; F147-Y178 HydrophobicContact CD1-CG 3.43Å; F147-Y178 VanDerWaalsContact CD1-CG 3.43Å; F147-Y178 HydrophobicContact CE1-CD1 4.07Å; F147-Y178 AromaticContact CE1-CD2 3.96Å; F147-Y178 HydrophobicContact CE1-CD2 3.96Å; F147-Y178 HydrophobicContact CE1-CE1 4.38Å; F147-Y178 HydrophobicContact CE1-CE2 4.26Å; F147-Y178 AromaticContact CE1-CG 3.84Å; F147-Y178 HydrophobicContact CE1-CG 3.84Å; F147-Y178 HydrophobicContact CG-CD2 4.17Å; F147-Y178 HydrophobicContact CG-CG 4.14Å; L152-Y178 HydrophobicContact CD1-CD2 4.37Å; L152-Y178 HydrophobicContact CD1-CE2 3.67Å; L174-Y178 PolarHBondContact O-N 2.86Å; W175-Y178 AromaticContact CE3-CD1 3.78Å; W175-Y178 HydrophobicContact CE3-CD1 3.78Å; W175-Y178 HydrophobicContact CE3-CG 4.36Å; W175-Y178 HydrophobicContact CH2-CD1 4.45Å; W175-Y178 AromaticContact CZ3-CD1 3.45Å; W175-Y178 HydrophobicContact CZ3-CD1 3.45Å; W175-Y178 VanDerWaalsContact CZ3-CD1 3.45Å; W175-Y178 AromaticContact CZ3-CE1 3.79Å; W175-Y178 HydrophobicContact CZ3-CE1 3.79Å; W175-Y178 HydrophobicContact CZ3-CG 4.41Å; W175-Y178 PolarHBondContact O-N 2.91Å; Y178-S180 VanDerWaalsContact C-N 3.32Å; Y178-S180 PolarHBondContact O-N 3.43Å; Y178-N182 WeakPolarHBondContact O-CB 3.24Å; Y178-N182 PolarHBondContact O-N 3.27Å; Y178-N182 PolarHBondContact O-ND2 3.44Å; Y178-Y205 PolarHBondContact OH-O 3.09Å; Y178-H206 WeakPolarHBondContact CE2-O 3.36Å; Y178-H206 PolarHBondContact OH-O 3.42Å; Y178-M208 WeakPolarHBondContact OH-CB 3.33Å; Y178-M208 PolarHBondContact OH-N 3.18Å; Y178-M208 VanDerWaalsContact OH-N 3.11Å; Y178-V209 HydrophobicContact CD1-CG2 4.15Å; Y178-V209 HydrophobicContact CE1-CG1 4.24Å; Y178-V209 HydrophobicContact CE1-CG2 3.79Å
179	V	98.2	Very high	95.4	Very high	30 Å²	30	52.9 Å²	52.9	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-37.2	176.5	175.7	0	0	0	0	111.1	W175 A177 K183 F213 L558	W175-V179 HydrophobicContact CD2-CG2 3.77Å; W175-V179 HydrophobicContact CE3-CG2 3.96Å; W175-V179 HydrophobicContact CG-CG2 4.46Å; W175-V179 HydrophobicContact CH2-CG2 3.96Å; W175-V179 HydrophobicContact CZ2-CG2 3.7Å; W175-V179 HydrophobicContact CZ3-CG2 4.06Å; W175-V179 WeakPolarHBondContact O-CG2 3.48Å; W175-V179 PolarHBondContact O-N 2.81Å; A177-V179 PolarHBondContact O-N 3.04Å; V179-K183 WeakPolarHBondContact O-CB 3.24Å; V179-K183 PolarHBondContact O-N 3.14Å; V179-F213 HydrophobicContact CG1-CZ 3.88Å; V179-L558 HydrophobicContact CG1-CD1 4.33Å; V179-L558 HydrophobicContact CG2-CD1 3.87Å
180	S	98.1	Very high	96.4	Very high	56 Å²	56	45.3 Å²	45.3	39%	0.392	21%	0.208	S	C	.	.	H	α-helix	trans	-71.3	-44	179.1	-58.6	0	0	0	0	112.4	Q176 A177 Y178 K183 I184	Q176-S180 VanDerWaalsContact O-CB 3.28Å; Q176-S180 WeakPolarHBondContact O-CB 3.45Å; Q176-S180 PolarHBondContact O-N 3.43Å; Q176-S180 PolarHBondContact O-OG 2.87Å; A177-S180 PolarHBondContact O-N 2.61Å; A177-S180 VanDerWaalsContact O-N 3.16Å; Y178-S180 VanDerWaalsContact C-N 3.32Å; Y178-S180 PolarHBondContact O-N 3.43Å; S180-K183 WeakPolarHBondContact O-CB 3.39Å; S180-K183 PolarHBondContact O-N 3.33Å; S180-I184 WeakPolarHBondContact O-CG1 3.3Å; S180-I184 PolarHBondContact O-N 2.85Å
181	A	98.3	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-49.3	172.8	0	0	0	0	0	111	L135 F143 A177 K183 I184 F185	L135-A181 HydrophobicContact CD1-CB 4.07Å; L135-A181 HydrophobicContact CD2-CB 4.25Å; F143-A181 HydrophobicContact CB-CB 3.97Å; F143-A181 HydrophobicContact CD1-CB 3.6Å; F143-A181 HydrophobicContact CD2-CB 3.81Å; F143-A181 HydrophobicContact CE1-CB 3.98Å; F143-A181 HydrophobicContact CE2-CB 4.14Å; F143-A181 HydrophobicContact CG-CB 3.5Å; F143-A181 VanDerWaalsContact CG-CB 3.5Å; F143-A181 HydrophobicContact CZ-CB 4.22Å; A177-A181 WeakPolarHBondContact O-CB 3.24Å; A177-A181 PolarHBondContact O-N 2.87Å; A181-K183 PolarHBondContact O-N 3.14Å; A181-I184 PolarHBondContact O-N 2.78Å; A181-F185 WeakPolarHBondContact O-CD2 3.35Å; A181-F185 PolarHBondContact O-N 3.02Å
182	N	98.5	Very high	97.1	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-36.5	175.8	-90.1	-113.7	0	0	0	112.4	Y178 S186 H206 L207 V209 L210 F213	Y178-N182 WeakPolarHBondContact O-CB 3.24Å; Y178-N182 PolarHBondContact O-N 3.27Å; Y178-N182 PolarHBondContact O-ND2 3.44Å; N182-S186 PolarHBondContact O-N 3.23Å; N182-H206 PolarHBondContact ND2-O 2.71Å; N182-L207 VanDerWaalsContact OD1-CA 3.23Å; N182-L207 WeakPolarHBondContact OD1-CA 3.45Å; N182-V209 HydrophobicContact CB-CG2 3.55Å; N182-V209 VanDerWaalsContact CG-CG2 3.46Å; N182-V209 WeakPolarHBondContact OD1-CG2 3.39Å; N182-V209 PolarHBondContact OD1-N 3.48Å; N182-L210 PolarHBondContact OD1-N 3.09Å; N182-F213 HydrophobicContact CB-CE2 4.06Å
183	K	97.9	Very high	97.2	Very high	100 Å²	100	42.5 Å²	42.5	44%	0.435	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-48.1	173.5	-169	-150.6	163.4	-142.8	0	111.4	V179 S180 A181 F185 S186 D187 F213	V179-K183 WeakPolarHBondContact O-CB 3.24Å; V179-K183 PolarHBondContact O-N 3.14Å; S180-K183 WeakPolarHBondContact O-CB 3.39Å; S180-K183 PolarHBondContact O-N 3.33Å; A181-K183 PolarHBondContact O-N 3.14Å; K183-F185 PolarHBondContact O-N 3.35Å; K183-S186 CarbonylContact O-C 3.53Å; K183-S186 WeakPolarHBondContact O-CA 3.24Å; K183-S186 WeakPolarHBondContact O-CB 3.24Å; K183-S186 PolarHBondContact O-N 3.38Å; K183-S186 PolarHBondContact O-OG 2.79Å; K183-D187 VanDerWaalsContact CE-OD2 3.26Å; K183-D187 WeakPolarHBondContact CE-OD2 3.42Å; K183-D187 IonicContact NZ-OD2 3.9Å; K183-D187 PolarHBondContact NZ-OD2 2.83Å; K183-D187 PolarHBondContact O-N 2.89Å; K183-F213 HydrophobicContact CB-CD2 4.21Å; K183-F213 HydrophobicContact CB-CE1 4.25Å; K183-F213 HydrophobicContact CB-CE2 3.83Å; K183-F213 HydrophobicContact CB-CZ 3.85Å; K183-F213 HydrophobicContact CG-CD1 4.27Å; K183-F213 HydrophobicContact CG-CE1 4.16Å; K183-F213 HydrophobicContact CG-CG 4.49Å; K183-F213 HydrophobicContact CG-CZ 4.28Å
184	I	98.2	Very high	97.1	Very high	48 Å²	48	37.8 Å²	37.8	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-41.7	179.8	-62.8	161.8	0	0	0	111.1	T133 L135 L139 S180 A181 S186 D187 R188	T133-I184 HydrophobicContact CG2-CG2 3.9Å; L135-I184 HydrophobicContact CD2-CB 3.97Å; L135-I184 HydrophobicContact CD2-CD1 3.67Å; L135-I184 HydrophobicContact CD2-CG1 4.44Å; L135-I184 HydrophobicContact CD2-CG2 3.93Å; L139-I184 HydrophobicContact CD2-CD1 3.62Å; S180-I184 WeakPolarHBondContact O-CG1 3.3Å; S180-I184 PolarHBondContact O-N 2.85Å; A181-I184 PolarHBondContact O-N 2.78Å; I184-S186 VanDerWaalsContact C-N 3.3Å; I184-S186 PolarHBondContact O-N 2.87Å; I184-D187 PolarHBondContact O-N 3Å; I184-R188 WeakPolarHBondContact O-CG 3.45Å; I184-R188 PolarHBondContact O-N 2.86Å
185	F	98.5	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-41.1	169.9	-79.1	-76.2	0	0	0	112	S107 T133 L135 F143 A181 K183 R188 V189 L207 L210	S107-F185 WeakPolarHBondContact OG-CZ 3.32Å; T133-F185 HydrophobicContact CG2-CB 4.42Å; T133-F185 HydrophobicContact CG2-CD1 3.56Å; T133-F185 HydrophobicContact CG2-CD2 4.22Å; T133-F185 HydrophobicContact CG2-CE1 3.75Å; T133-F185 HydrophobicContact CG2-CE2 4.38Å; T133-F185 HydrophobicContact CG2-CG 3.79Å; T133-F185 HydrophobicContact CG2-CZ 4.15Å; T133-F185 WeakPolarHBondContact OG1-CD1 3.4Å; L135-F185 HydrophobicContact CD1-CE2 3.97Å; L135-F185 HydrophobicContact CD1-CZ 4.34Å; F143-F185 AromaticContact CE1-CE2 3.75Å; F143-F185 HydrophobicContact CE1-CE2 3.75Å; F143-F185 HydrophobicContact CE1-CZ 4.43Å; F143-F185 HydrophobicContact CZ-CE2 4.04Å; A181-F185 WeakPolarHBondContact O-CD2 3.35Å; A181-F185 PolarHBondContact O-N 3.02Å; K183-F185 PolarHBondContact O-N 3.35Å; F185-R188 PolarHBondContact O-N 3Å; F185-V189 WeakPolarHBondContact O-CG2 3.06Å; F185-V189 PolarHBondContact O-N 3.2Å; F185-V189 VanDerWaalsContact O-N 3.1Å; F185-L207 HydrophobicContact CB-CD2 4.23Å; F185-L207 HydrophobicContact CD1-CD2 4.4Å; F185-L207 HydrophobicContact CD2-CD2 3.5Å; F185-L207 HydrophobicContact CE2-CD2 3.91Å; F185-L207 HydrophobicContact CG-CD2 3.81Å; F185-L210 HydrophobicContact CB-CD1 3.41Å; F185-L210 VanDerWaalsContact CB-CD1 3.41Å; F185-L210 HydrophobicContact CG-CD1 4.42Å
186	S	97.9	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-36.7	176.4	83	0	0	0	0	112.8	N182 K183 I184 R188 V189 M190 F213	N182-S186 PolarHBondContact O-N 3.23Å; K183-S186 CarbonylContact O-C 3.53Å; K183-S186 WeakPolarHBondContact O-CA 3.24Å; K183-S186 WeakPolarHBondContact O-CB 3.24Å; K183-S186 PolarHBondContact O-N 3.38Å; K183-S186 PolarHBondContact O-OG 2.79Å; I184-S186 VanDerWaalsContact C-N 3.3Å; I184-S186 PolarHBondContact O-N 2.87Å; S186-R188 VanDerWaalsContact C-N 3.34Å; S186-V189 PolarHBondContact O-N 3.37Å; S186-M190 WeakPolarHBondContact O-CE 3.45Å; S186-M190 VanDerWaalsContact O-CG 3.31Å; S186-M190 WeakPolarHBondContact O-CG 3.48Å; S186-M190 PolarHBondContact O-N 3Å; S186-M190 WeakPolarHBondContact OG-CE 3.29Å; S186-F213 WeakPolarHBondContact OG-CB 3.46Å
187	D	97.8	Very high	95.9	Very high	56 Å²	56	42.3 Å²	42.3	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-41.2	175.8	-66.4	-30.6	0	0	0	109.7	K183 I184 M190 E191	K183-D187 VanDerWaalsContact CE-OD2 3.26Å; K183-D187 WeakPolarHBondContact CE-OD2 3.42Å; K183-D187 IonicContact NZ-OD2 3.9Å; K183-D187 PolarHBondContact NZ-OD2 2.83Å; K183-D187 PolarHBondContact O-N 2.89Å; I184-D187 PolarHBondContact O-N 3Å; D187-M190 WeakPolarHBondContact O-CB 3.4Å; D187-M190 PolarHBondContact O-N 2.83Å; D187-M190 VanDerWaalsContact O-N 3.17Å; D187-M190 WeakPolarHBondContact OD1-CE 3.34Å; D187-E191 PolarHBondContact O-N 2.69Å
188	R	97.6	Very high	95.7	Very high	67 Å²	67	42.3 Å²	42.3	25%	0.253	22%	0.215	S	C	.	.	H	α-helix	trans	-66.4	-33.9	173.3	-64.9	-51.1	-177.8	-174.3	-2.2	114.9	V105 V131 T133 I184 F185 S186 M190 E191	V105-R188 HydrophobicContact CG1-CB 3.79Å; V131-R188 HydrophobicContact CG1-CB 3.98Å; V131-R188 HydrophobicContact CG1-CG 4.46Å; T133-R188 HydrophobicContact CG2-CG 4.15Å; I184-R188 WeakPolarHBondContact O-CG 3.45Å; I184-R188 PolarHBondContact O-N 2.86Å; F185-R188 PolarHBondContact O-N 3Å; S186-R188 VanDerWaalsContact C-N 3.34Å; R188-M190 VanDerWaalsContact C-N 3.34Å; R188-E191 WeakPolarHBondContact CD-OE2 3.42Å; R188-E191 IonicContact CZ-OE1 2.7Å; R188-E191 IonicContact CZ-OE2 2.8Å; R188-E191 IonicContact NE-OE2 3.34Å; R188-E191 IonicContact NH1-OE1 3.67Å; R188-E191 PolarHBondContact NH1-OE1 2.73Å; R188-E191 IonicContact NH1-OE2 3.71Å; R188-E191 PolarHBondContact NH1-OE2 2.8Å
189	V	97.7	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-40	170.1	173.9	0	0	0	0	110.6	V62 V105 F185 S186 E191 V192 I193 V200 L214	V62-V189 HydrophobicContact CB-CG2 4.49Å; V62-V189 HydrophobicContact CG1-CG2 4.02Å; V62-V189 HydrophobicContact CG2-CG2 3.57Å; V105-V189 HydrophobicContact CB-CG2 4.22Å; V105-V189 HydrophobicContact CG1-CG2 4.12Å; V105-V189 HydrophobicContact CG2-CG2 4.01Å; F185-V189 WeakPolarHBondContact O-CG2 3.06Å; F185-V189 PolarHBondContact O-N 3.2Å; F185-V189 VanDerWaalsContact O-N 3.1Å; S186-V189 PolarHBondContact O-N 3.37Å; V189-E191 PolarHBondContact O-N 3.09Å; V189-V192 PolarHBondContact O-N 3.07Å; V189-I193 HydrophobicContact CG1-CD1 4.3Å; V189-I193 WeakPolarHBondContact O-CB 3.33Å; V189-I193 VanDerWaalsContact O-CG2 3.31Å; V189-I193 WeakPolarHBondContact O-CG2 3.11Å; V189-I193 PolarHBondContact O-N 2.89Å; V189-V200 HydrophobicContact CG1-CG1 4.34Å; V189-V200 HydrophobicContact CG1-CG2 4.25Å; V189-L214 HydrophobicContact CB-CD2 3.95Å; V189-L214 HydrophobicContact CG1-CD1 4.03Å; V189-L214 HydrophobicContact CG1-CD2 3.79Å
190	M	96.2	Very high	95.7	Very high	49 Å²	49	42.1 Å²	42.1	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-16.2	-179.4	-73.3	-174.5	-87.8	0	0	114.3	S186 D187 R188 L214 R217 F218	S186-M190 WeakPolarHBondContact O-CE 3.45Å; S186-M190 VanDerWaalsContact O-CG 3.31Å; S186-M190 WeakPolarHBondContact O-CG 3.48Å; S186-M190 PolarHBondContact O-N 3Å; S186-M190 WeakPolarHBondContact OG-CE 3.29Å; D187-M190 WeakPolarHBondContact O-CB 3.4Å; D187-M190 PolarHBondContact O-N 2.83Å; D187-M190 VanDerWaalsContact O-N 3.17Å; D187-M190 WeakPolarHBondContact OD1-CE 3.34Å; R188-M190 VanDerWaalsContact C-N 3.34Å; M190-L214 HydrophobicContact CG-CD2 3.97Å; M190-R217 HydrophobicContact SD-CB 3.52Å; M190-R217 VanDerWaalsContact SD-CB 3.52Å; M190-R217 HydrophobicContact SD-CG 3.55Å; M190-R217 VanDerWaalsContact SD-CG 3.55Å; M190-F218 HydrophobicContact CG-CE2 4.09Å
191	E	94.9	Very high	95.7	Very high	116 Å²	116	39.5 Å²	39.5	54%	0.542	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-25.2	176	-75.4	170.9	166.8	0	0	113.9	D187 R188 V189	D187-E191 PolarHBondContact O-N 2.69Å; R188-E191 WeakPolarHBondContact CD-OE2 3.42Å; R188-E191 IonicContact CZ-OE1 2.7Å; R188-E191 IonicContact CZ-OE2 2.8Å; R188-E191 IonicContact NE-OE2 3.34Å; R188-E191 IonicContact NH1-OE1 3.67Å; R188-E191 PolarHBondContact NH1-OE1 2.73Å; R188-E191 IonicContact NH1-OE2 3.71Å; R188-E191 PolarHBondContact NH1-OE2 2.8Å; V189-E191 PolarHBondContact O-N 3.09Å
192	V	94.1	Very high	95.7	Very high	35 Å²	35	39.5 Å²	39.5	21%	0.212	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-13.6	-170.3	-65.6	0	0	0	0	115.2	R58 I60 L103 V131 V189	R58-V192 PolarHBondContact NH2-O 3.38Å; I60-V192 HydrophobicContact CD1-CG2 4.43Å; L103-V192 HydrophobicContact CD1-CB 4.04Å; L103-V192 HydrophobicContact CD1-CG1 4.37Å; L103-V192 HydrophobicContact CD1-CG2 4.01Å; L103-V192 HydrophobicContact CD2-CG2 3.79Å; V131-V192 HydrophobicContact CG2-CG1 3.76Å; V131-V192 HydrophobicContact CG2-CG2 4.24Å; V189-V192 PolarHBondContact O-N 3.07Å
193	I	95.5	Very high	95.7	Very high	20 Å²	20	39.7 Å²	39.7	10%	0.103	19%	0.194	C	C	.	.			trans	-78.3	136.9	-170.9	-167.5	174.7	0	0	0	114.2	I60 V189 P195 D198 V200 F218 I221	I60-I193 HydrophobicContact CD1-CB 3.81Å; I60-I193 HydrophobicContact CD1-CD1 4.25Å; I60-I193 HydrophobicContact CD1-CG1 3.75Å; V189-I193 HydrophobicContact CG1-CD1 4.3Å; V189-I193 WeakPolarHBondContact O-CB 3.33Å; V189-I193 VanDerWaalsContact O-CG2 3.31Å; V189-I193 WeakPolarHBondContact O-CG2 3.11Å; V189-I193 PolarHBondContact O-N 2.89Å; I193-P195 WeakPolarHBondContact O-CD 3.4Å; I193-D198 WeakPolarHBondContact CA-OD2 3.37Å; I193-D198 HydrophobicContact CD1-CB 4.46Å; I193-D198 HydrophobicContact CG1-CB 3.91Å; I193-D198 WeakPolarHBondContact CG1-OD2 3.32Å; I193-V200 HydrophobicContact CD1-CG2 3.45Å; I193-V200 VanDerWaalsContact CD1-CG2 3.45Å; I193-F218 HydrophobicContact CG2-CE2 3.84Å; I193-F218 HydrophobicContact CG2-CZ 4.44Å; I193-I221 HydrophobicContact CD1-CD1 3.26Å; I193-I221 HydrophobicContact CD1-CG1 3.79Å
194	N	94.1	Very high	95.6	Very high	58 Å²	58	36 Å²	36	31%	0.31	18%	0.179	S	C	.	.			trans	-92.7	105.1	156.6	174.3	-5.5	0	0	0	108.2	E196 D197 D198	N194-E196 PolarHBondContact O-N 3.45Å; N194-E196 PolarHBondContact OD1-N 3.29Å; N194-E196 VanDerWaalsContact OD1-N 3.13Å; N194-D197 PolarHBondContact ND2-OD2 2.87Å; N194-D197 PolarHBondContact O-N 2.79Å; N194-D197 PolarHBondContact OD1-N 3.39Å; N194-D198 PolarHBondContact N-OD2 3.05Å; N194-D198 VanDerWaalsContact O-CB 3.32Å; N194-D198 WeakPolarHBondContact O-CB 3.39Å; N194-D198 PolarHBondContact O-N 2.91Å
195	P	87.8	Confident	95.6	Very high	37 Å²	37	33.9 Å²	33.9	24%	0.24	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.4	-171.3	32.3	-38.4	0	0	0	114.4	I193 F218	I193-P195 WeakPolarHBondContact O-CD 3.4Å; P195-F218 HydrophobicContact CB-CB 4.13Å; P195-F218 HydrophobicContact CB-CD1 3.67Å; P195-F218 HydrophobicContact CB-CD2 4.01Å; P195-F218 HydrophobicContact CB-CE1 3.97Å; P195-F218 HydrophobicContact CB-CE2 4.27Å; P195-F218 HydrophobicContact CB-CG 3.68Å; P195-F218 HydrophobicContact CB-CZ 4.25Å; P195-F218 HydrophobicContact CG-CD1 3.82Å; P195-F218 HydrophobicContact CG-CE1 3.71Å; P195-F218 HydrophobicContact CG-CG 4.34Å; P195-F218 HydrophobicContact CG-CZ 4.13Å
196	E	85.6	Confident	95.6	Very high	139 Å²	139	34.7 Å²	34.7	65%	0.65	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-34	177.2	-56.8	-162.2	161.1	0	0	112.1	N194 K222 Y547	N194-E196 PolarHBondContact O-N 3.45Å; N194-E196 PolarHBondContact OD1-N 3.29Å; N194-E196 VanDerWaalsContact OD1-N 3.13Å; E196-K222 WeakPolarHBondContact O-CE 3.24Å; E196-K222 PolarHBondContact O-NZ 3.47Å; E196-Y547 PolarHBondContact O-OH 2.94Å
197	D	90.4	Very high	95.6	Very high	73 Å²	73	34.7 Å²	34.7	39%	0.39	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-45.2	-177.6	-70.2	-61.8	0	0	0	113.9	N194 K222	N194-D197 PolarHBondContact ND2-OD2 2.87Å; N194-D197 PolarHBondContact O-N 2.79Å; N194-D197 PolarHBondContact OD1-N 3.39Å; D197-K222 VanDerWaalsContact C-NZ 3.31Å; D197-K222 PolarHBondContact O-NZ 3.28Å
198	D	95.2	Very high	95.6	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.157	C	C	.	.			trans	-68.9	148.1	-167.2	-65.7	-24.4	0	0	0	113.7	R58 I60 I193 N194	R58-D198 WeakPolarHBondContact CB-OD1 3.45Å; R58-D198 IonicContact CZ-OD1 2.6Å; R58-D198 IonicContact CZ-OD2 3.91Å; R58-D198 IonicContact NE-OD1 2.69Å; R58-D198 PolarHBondContact NE-OD1 2.95Å; R58-D198 IonicContact NE-OD2 3.12Å; R58-D198 PolarHBondContact NE-OD2 2.91Å; R58-D198 IonicContact NH2-OD1 3.74Å; R58-D198 PolarHBondContact NH2-OD1 3.41Å; R58-D198 IonicContact NH2-OD2 2.86Å; R58-D198 PolarHBondContact NH2-OD2 3.27Å; I60-D198 HydrophobicContact CD1-CB 4.26Å; I193-D198 WeakPolarHBondContact CA-OD2 3.37Å; I193-D198 HydrophobicContact CD1-CB 4.46Å; I193-D198 HydrophobicContact CG1-CB 3.91Å; I193-D198 WeakPolarHBondContact CG1-OD2 3.32Å; N194-D198 PolarHBondContact N-OD2 3.05Å; N194-D198 VanDerWaalsContact O-CB 3.32Å; N194-D198 WeakPolarHBondContact O-CB 3.39Å; N194-D198 PolarHBondContact O-N 2.91Å
199	Y	96.5	Very high	95.7	Very high	27 Å²	27	28.8 Å²	28.8	11%	0.106	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.4	164.3	-64.5	-88.5	0	0	0	110.2	E57 R58 K59 I60 K222 M536 L539 E540	E57-Y199 HydrophobicContact CG-CD2 4.23Å; E57-Y199 HydrophobicContact CG-CE2 4.03Å; E57-Y199 VanDerWaalsContact OE1-CE2 3.27Å; E57-Y199 WeakPolarHBondContact OE1-CE2 3.3Å; R58-Y199 PolarHBondContact O-N 3.45Å; K59-Y199 WeakPolarHBondContact CA-O 3.35Å; I60-Y199 PolarHBondContact N-O 2.92Å; Y199-K222 HydrophobicContact CD1-CB 3.67Å; Y199-K222 HydrophobicContact CD1-CD 3.76Å; Y199-K222 HydrophobicContact CD1-CG 4.31Å; Y199-K222 HydrophobicContact CE1-CB 4.1Å; Y199-K222 HydrophobicContact CE1-CD 3.51Å; Y199-K222 HydrophobicContact CE1-CG 4.31Å; Y199-K222 HydrophobicContact CE2-CD 4.35Å; Y199-K222 HydrophobicContact CG-CB 4.4Å; Y199-K222 HydrophobicContact CG-CD 4.28Å; Y199-M536 HydrophobicContact CD1-SD 4.39Å; Y199-M536 HydrophobicContact CG-SD 4.1Å; Y199-L539 HydrophobicContact CD1-CD2 3.9Å; Y199-L539 HydrophobicContact CD1-CG 3.96Å; Y199-L539 HydrophobicContact CE1-CG 4.44Å; Y199-E540 HydrophobicContact CE1-CG 4.26Å
200	V	98.1	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.9	172.4	-169.5	0	0	0	0	109.5	I60 V62 V189 I193 I202 L214 I221 K222 L223 G224	I60-V200 HydrophobicContact CB-CG1 4.45Å; I60-V200 HydrophobicContact CB-CG2 4.32Å; I60-V200 HydrophobicContact CD1-CG2 4.48Å; I60-V200 HydrophobicContact CG2-CG1 4.38Å; I60-V200 WeakPolarHBondContact O-CA 3.35Å; V62-V200 HydrophobicContact CG2-CG1 3.45Å; V62-V200 VanDerWaalsContact CG2-CG1 3.45Å; V189-V200 HydrophobicContact CG1-CG1 4.34Å; V189-V200 HydrophobicContact CG1-CG2 4.25Å; I193-V200 HydrophobicContact CD1-CG2 3.45Å; I193-V200 VanDerWaalsContact CD1-CG2 3.45Å; V200-I202 HydrophobicContact CG1-CG1 4.09Å; V200-L214 HydrophobicContact CG1-CD1 4.1Å; V200-I221 HydrophobicContact CG2-CD1 3.88Å; V200-I221 HydrophobicContact CG2-CG1 4.25Å; V200-K222 PolarHBondContact N-O 2.92Å; V200-L223 HydrophobicContact CB-CD2 3.84Å; V200-L223 HydrophobicContact CG1-CD2 4.48Å; V200-L223 HydrophobicContact CG2-CD2 4.32Å; V200-G224 PolarHBondContact O-N 3.23Å
201	W	98.1	Very high	95.8	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	103.5	178.6	-171.4	7.7	0	0	0	111.2	I60 I61 V62 L92 Q203 G224 F226 W531 A532 F535 M536	I60-W201 PolarHBondContact O-N 2.87Å; I61-W201 HydrophobicContact CD1-CB 3.98Å; I61-W201 HydrophobicContact CD1-CD2 4.5Å; I61-W201 HydrophobicContact CD1-CE3 3.98Å; V62-W201 PolarHBondContact N-O 3.37Å; L92-W201 HydrophobicContact CD1-CZ3 4.23Å; L92-W201 HydrophobicContact CD2-CZ3 4.17Å; W201-Q203 PolarHBondContact O-NE2 2.8Å; W201-G224 WeakPolarHBondContact CA-O 3.41Å; W201-F226 HydrophobicContact CZ2-CB 4.35Å; W201-F226 HydrophobicContact CZ2-CD2 4.4Å; W201-W531 HydrophobicContact CH2-CD2 4.36Å; W201-W531 AromaticContact CH2-CE3 3.99Å; W201-W531 HydrophobicContact CH2-CE3 3.99Å; W201-W531 AromaticContact CH2-CH2 3.4Å; W201-W531 HydrophobicContact CH2-CH2 3.4Å; W201-W531 VanDerWaalsContact CH2-CH2 3.4Å; W201-W531 AromaticContact CH2-CZ2 3.8Å; W201-W531 HydrophobicContact CH2-CZ2 3.8Å; W201-W531 AromaticContact CH2-CZ3 3.51Å; W201-W531 HydrophobicContact CH2-CZ3 3.51Å; W201-W531 AromaticContact CZ2-CH2 3.4Å; W201-W531 HydrophobicContact CZ2-CH2 3.4Å; W201-W531 VanDerWaalsContact CZ2-CH2 3.4Å; W201-W531 AromaticContact CZ2-CZ2 3.5Å; W201-W531 HydrophobicContact CZ2-CZ2 3.5Å; W201-W531 VanDerWaalsContact CZ2-CZ2 3.5Å; W201-W531 HydrophobicContact CZ2-CZ3 4.02Å; W201-W531 HydrophobicContact CZ3-CH2 4.44Å; W201-W531 HydrophobicContact CZ3-CZ3 4.34Å; W201-A532 HydrophobicContact CH2-CB 4.46Å; W201-A532 HydrophobicContact CZ3-CB 4.33Å; W201-F535 AromaticContact CD1-CE1 3.5Å; W201-F535 VanDerWaalsContact CD1-CE1 3.5Å; W201-F535 AromaticContact CD2-CD1 3.71Å; W201-F535 HydrophobicContact CD2-CD1 3.71Å; W201-F535 AromaticContact CD2-CE1 3.78Å; W201-F535 HydrophobicContact CD2-CE1 3.78Å; W201-F535 AromaticContact CE2-CD1 3.28Å; W201-F535 AromaticContact CE2-CE1 3.37Å; W201-F535 AromaticContact CE2-CG 3.93Å; W201-F535 HydrophobicContact CE3-CD1 4.16Å; W201-F535 HydrophobicContact CG-CD1 4.29Å; W201-F535 AromaticContact CG-CE1 3.87Å; W201-F535 HydrophobicContact CG-CE1 3.87Å; W201-F535 HydrophobicContact CH2-CB 3.93Å; W201-F535 AromaticContact CH2-CD1 3.88Å; W201-F535 HydrophobicContact CH2-CD1 3.88Å; W201-F535 HydrophobicContact CH2-CG 4.04Å; W201-F535 HydrophobicContact CZ2-CB 3.94Å; W201-F535 AromaticContact CZ2-CD1 3.39Å; W201-F535 HydrophobicContact CZ2-CD1 3.39Å; W201-F535 HydrophobicContact CZ2-CD2 4.25Å; W201-F535 AromaticContact CZ2-CE1 3.93Å; W201-F535 HydrophobicContact CZ2-CE1 3.93Å; W201-F535 AromaticContact CZ2-CG 3.57Å; W201-F535 HydrophobicContact CZ2-CG 3.57Å; W201-F535 HydrophobicContact CZ3-CD1 4.23Å; W201-F535 AromaticContact NE1-CD1 3.65Å; W201-F535 AromaticContact NE1-CE1 3.2Å; W201-F535 AromaticContact NE1-CZ 3.56Å; W201-M536 HydrophobicContact CD2-CE 4.39Å; W201-M536 HydrophobicContact CE3-CE 3.68Å; W201-M536 HydrophobicContact CZ3-CE 4.32Å
202	I	98.7	Very high	95.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.1	-174.1	-54.7	162.3	0	0	0	109.9	V62 V200 L207 L210 P211 L214 G224 F225 F226	V62-I202 HydrophobicContact CB-CG1 4.29Å; V62-I202 HydrophobicContact CG2-CG1 4.44Å; V62-I202 CarbonylContact O-C 3.51Å; V62-I202 WeakPolarHBondContact O-CA 3.23Å; V200-I202 HydrophobicContact CG1-CG1 4.09Å; I202-L207 HydrophobicContact CG2-CB 3.55Å; I202-L207 HydrophobicContact CG2-CD1 4.17Å; I202-L210 HydrophobicContact CD1-CD2 3.52Å; I202-L210 HydrophobicContact CG1-CD2 3.96Å; I202-P211 HydrophobicContact CD1-CB 4.33Å; I202-P211 HydrophobicContact CD1-CG 3.74Å; I202-L214 HydrophobicContact CD1-CD1 4.41Å; I202-G224 PolarHBondContact N-O 2.91Å; I202-F225 HydrophobicContact CB-CD2 3.96Å; I202-F225 HydrophobicContact CG2-CD2 3.78Å; I202-F225 HydrophobicContact CG2-CE2 4.15Å; I202-F225 CarbonylContact O-C 3.56Å; I202-F225 WeakPolarHBondContact O-CA 3.49Å; I202-F226 PolarHBondContact O-N 2.69Å
203	Q	98.2	Very high	96	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.019	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.2	-173	-48.1	-56.2	-40.1	0	0	112.9	I61 V62 A63 Q89 W201	I61-Q203 HydrophobicContact CG2-CG 4.13Å; V62-Q203 PolarHBondContact O-N 2.95Å; A63-Q203 HydrophobicContact CB-CB 4.03Å; A63-Q203 HydrophobicContact CB-CG 4.15Å; Q89-Q203 HydrophobicContact CG-CG 4.5Å; W201-Q203 PolarHBondContact O-NE2 2.8Å
204	D	97.6	Very high	96.1	Very high	23 Å²	23	20.3 Å²	20.3	12%	0.123	10%	0.102	C	C	.	.	S	Bend	trans	67.4	171.3	162.2	-151	22.2	0	0	0	118.2	H206 L207 F225 F226 H228 S229	D204-H206 PolarHBondContact O-N 3.2Å; D204-H206 IonicContact OD2-CE1 2.81Å; D204-H206 IonicContact OD2-ND1 2.8Å; D204-L207 PolarHBondContact O-N 3.03Å; D204-L207 VanDerWaalsContact O-N 3.08Å; D204-F225 WeakPolarHBondContact O-CE2 3.06Å; D204-F225 WeakPolarHBondContact O-CZ 3.08Å; D204-F226 WeakPolarHBondContact CA-O 3.31Å; D204-F226 PolarHBondContact N-O 2.97Å; D204-H228 HydrophobicContact CB-CB 4.45Å; D204-H228 PolarHBondContact OD1-N 3.35Å; D204-S229 PolarHBondContact OD1-N 2.82Å; D204-S229 PolarHBondContact OD1-OG 3.49Å
205	Y	97.6	Very high	96.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.008	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-57.3	-14.6	-170.4	68	-89.7	0	0	0	115.4	C148 K149 L152 W153 Y178 L207 M208 S229	C148-Y205 HydrophobicContact CB-CE2 3.85Å; C148-Y205 WeakPolarHBondContact O-CE2 3.47Å; K149-Y205 VanDerWaalsContact CE-OH 3.25Å; K149-Y205 WeakPolarHBondContact CE-OH 3.27Å; K149-Y205 PolarHBondContact NZ-OH 2.98Å; L152-Y205 HydrophobicContact CB-CD2 3.92Å; L152-Y205 HydrophobicContact CB-CE2 4.45Å; L152-Y205 HydrophobicContact CD1-CD2 3.98Å; L152-Y205 WeakPolarHBondContact CD1-O 3.43Å; W153-Y205 HydrophobicContact CE3-CD1 4.42Å; W153-Y205 AromaticContact CE3-CE1 3.5Å; W153-Y205 HydrophobicContact CE3-CE1 3.5Å; W153-Y205 AromaticContact CE3-CZ 3.62Å; W153-Y205 AromaticContact CZ3-CE1 3.76Å; W153-Y205 HydrophobicContact CZ3-CE1 3.76Å; Y178-Y205 PolarHBondContact OH-O 3.09Å; Y205-L207 VanDerWaalsContact C-N 3.27Å; Y205-L207 PolarHBondContact O-N 3.48Å; Y205-M208 WeakPolarHBondContact O-CE 3.45Å; Y205-S229 WeakPolarHBondContact CD1-OG 3.36Å
206	H	98	Very high	96.3	Very high	17 Å²	17	21.2 Å²	21.2	8%	0.079	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-64.4	-29	175.1	-52.5	90.2	0	0	0	112.8	N64 F143 Y144 Y178 N182 D204	N64-H206 HydrophobicContact CB-CB 3.89Å; F143-H206 WeakPolarHBondContact CE2-O 2.95Å; F143-H206 HydrophobicContact CZ-CB 4.18Å; Y144-H206 AromaticContact CD2-CD2 3.89Å; Y144-H206 AromaticContact CD2-NE2 3.98Å; Y144-H206 AromaticContact CE2-NE2 3.59Å; Y178-H206 WeakPolarHBondContact CE2-O 3.36Å; Y178-H206 PolarHBondContact OH-O 3.42Å; N182-H206 PolarHBondContact ND2-O 2.71Å; D204-H206 PolarHBondContact O-N 3.2Å; D204-H206 IonicContact OD2-CE1 2.81Å; D204-H206 IonicContact OD2-ND1 2.8Å
207	L	98.5	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-125	30.2	-165.4	-60.7	178.2	0	0	0	114.2	V62 N182 F185 I202 D204 Y205 V209 L210	V62-L207 HydrophobicContact CG1-CD1 3.86Å; N182-L207 VanDerWaalsContact OD1-CA 3.23Å; N182-L207 WeakPolarHBondContact OD1-CA 3.45Å; F185-L207 HydrophobicContact CB-CD2 4.23Å; F185-L207 HydrophobicContact CD1-CD2 4.4Å; F185-L207 HydrophobicContact CD2-CD2 3.5Å; F185-L207 HydrophobicContact CE2-CD2 3.91Å; F185-L207 HydrophobicContact CG-CD2 3.81Å; I202-L207 HydrophobicContact CG2-CB 3.55Å; I202-L207 HydrophobicContact CG2-CD1 4.17Å; D204-L207 PolarHBondContact O-N 3.03Å; D204-L207 VanDerWaalsContact O-N 3.08Å; Y205-L207 VanDerWaalsContact C-N 3.27Å; Y205-L207 PolarHBondContact O-N 3.48Å; L207-V209 VanDerWaalsContact C-N 3.34Å; L207-V209 PolarHBondContact O-N 2.85Å; L207-L210 HydrophobicContact CB-CB 4.27Å; L207-L210 HydrophobicContact CB-CD1 4.38Å; L207-L210 HydrophobicContact CD1-CD1 4.34Å; L207-L210 HydrophobicContact CD2-CD1 4.01Å; L207-L210 HydrophobicContact CG-CD1 4.48Å; L207-L210 WeakPolarHBondContact O-CB 3.49Å; L207-L210 PolarHBondContact O-N 2.88Å
208	M	98.5	Very high	96.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-71.7	-20.5	-170.6	-61.1	-173.3	-72	0	0	114.9	L152 F156 Y178 Y205 P211 F225 L227 I246 G249 L250	L152-M208 HydrophobicContact CD1-CE 3.74Å; L152-M208 HydrophobicContact CD2-CE 3.9Å; L152-M208 HydrophobicContact CG-CE 4.47Å; F156-M208 HydrophobicContact CE2-CE 4.29Å; F156-M208 HydrophobicContact CE2-SD 4.1Å; F156-M208 HydrophobicContact CZ-CE 3.86Å; F156-M208 HydrophobicContact CZ-SD 4.02Å; Y178-M208 WeakPolarHBondContact OH-CB 3.33Å; Y178-M208 PolarHBondContact OH-N 3.18Å; Y178-M208 VanDerWaalsContact OH-N 3.11Å; Y205-M208 WeakPolarHBondContact O-CE 3.45Å; M208-P211 WeakPolarHBondContact O-CD 3.25Å; M208-F225 HydrophobicContact CG-CE2 4.12Å; M208-F225 HydrophobicContact CG-CZ 3.76Å; M208-L227 HydrophobicContact SD-CD1 4.48Å; M208-I246 HydrophobicContact CB-CG2 3.99Å; M208-I246 HydrophobicContact CE-CD1 4.07Å; M208-I246 HydrophobicContact CE-CG2 3.64Å; M208-I246 HydrophobicContact SD-CG2 3.75Å; M208-G249 CarbonylContact O-C 3.57Å; M208-L250 HydrophobicContact CB-CD2 3.95Å; M208-L250 HydrophobicContact CB-CG 4.24Å; M208-L250 HydrophobicContact CG-CD2 4.07Å; M208-L250 PolarHBondContact O-N 2.84Å; M208-L250 HydrophobicContact SD-CD1 4.32Å
209	V	98.1	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-100	-12	177.3	-60.7	0	0	0	0	113.5	W175 Y178 N182 L207 P211 T212 F213 I246 L558	W175-V209 HydrophobicContact CH2-CG1 3.86Å; W175-V209 HydrophobicContact CZ3-CG1 4.46Å; Y178-V209 HydrophobicContact CD1-CG2 4.15Å; Y178-V209 HydrophobicContact CE1-CG1 4.24Å; Y178-V209 HydrophobicContact CE1-CG2 3.79Å; N182-V209 HydrophobicContact CB-CG2 3.55Å; N182-V209 VanDerWaalsContact CG-CG2 3.46Å; N182-V209 WeakPolarHBondContact OD1-CG2 3.39Å; N182-V209 PolarHBondContact OD1-N 3.48Å; L207-V209 VanDerWaalsContact C-N 3.34Å; L207-V209 PolarHBondContact O-N 2.85Å; V209-P211 VanDerWaalsContact C-N 3.33Å; V209-T212 WeakPolarHBondContact O-CB 3.21Å; V209-T212 PolarHBondContact O-N 2.99Å; V209-T212 VanDerWaalsContact O-N 3.07Å; V209-T212 PolarHBondContact O-OG1 2.97Å; V209-F213 HydrophobicContact CG2-CE2 4.36Å; V209-I246 HydrophobicContact CG1-CG1 4.23Å; V209-L558 HydrophobicContact CB-CD2 4.01Å; V209-L558 HydrophobicContact CG1-CD1 4.29Å; V209-L558 HydrophobicContact CG1-CD2 4.45Å
210	L	98.2	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-49.5	-40.5	173	-166.9	150	0	0	0	114.6	V62 N182 F185 I202 L207 T212 F213 L214	V62-L210 HydrophobicContact CG1-CD1 3.93Å; N182-L210 PolarHBondContact OD1-N 3.09Å; F185-L210 HydrophobicContact CB-CD1 3.41Å; F185-L210 VanDerWaalsContact CB-CD1 3.41Å; F185-L210 HydrophobicContact CG-CD1 4.42Å; I202-L210 HydrophobicContact CD1-CD2 3.52Å; I202-L210 HydrophobicContact CG1-CD2 3.96Å; L207-L210 HydrophobicContact CB-CB 4.27Å; L207-L210 HydrophobicContact CB-CD1 4.38Å; L207-L210 HydrophobicContact CD1-CD1 4.34Å; L207-L210 HydrophobicContact CD2-CD1 4.01Å; L207-L210 HydrophobicContact CG-CD1 4.48Å; L207-L210 WeakPolarHBondContact O-CB 3.49Å; L207-L210 PolarHBondContact O-N 2.88Å; L210-T212 PolarHBondContact O-N 3.41Å; L210-T212 VanDerWaalsContact O-N 3.16Å; L210-F213 PolarHBondContact O-N 3.4Å; L210-F213 VanDerWaalsContact O-N 3.16Å; L210-L214 HydrophobicContact CD2-CD1 3.49Å; L210-L214 VanDerWaalsContact CD2-CD1 3.49Å; L210-L214 HydrophobicContact CD2-CG 3.81Å; L210-L214 PolarHBondContact O-N 3.49Å
211	P	98.1	Very high	96.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-55.4	-34.8	177.6	-23.2	30.9	0	0	0	113.1	I202 M208 V209 L214 R215 L223 G249 N252 C253	I202-P211 HydrophobicContact CD1-CB 4.33Å; I202-P211 HydrophobicContact CD1-CG 3.74Å; M208-P211 WeakPolarHBondContact O-CD 3.25Å; V209-P211 VanDerWaalsContact C-N 3.33Å; P211-L214 PolarHBondContact O-N 2.99Å; P211-R215 VanDerWaalsContact O-CB 3.24Å; P211-R215 WeakPolarHBondContact O-CB 3.29Å; P211-R215 PolarHBondContact O-N 2.98Å; P211-L223 HydrophobicContact CB-CD1 4.02Å; P211-G249 WeakPolarHBondContact CB-O 3.49Å; P211-N252 HydrophobicContact CB-CB 4.04Å; P211-C253 WeakPolarHBondContact CG-SG 3.48Å
212	T	96.9	Very high	96	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-42.9	-179.9	-46.1	0	0	0	0	112.1	V209 L210 K216 G249 L558 F560	V209-T212 WeakPolarHBondContact O-CB 3.21Å; V209-T212 PolarHBondContact O-N 2.99Å; V209-T212 VanDerWaalsContact O-N 3.07Å; V209-T212 PolarHBondContact O-OG1 2.97Å; L210-T212 PolarHBondContact O-N 3.41Å; L210-T212 VanDerWaalsContact O-N 3.16Å; T212-K216 WeakPolarHBondContact O-CB 3.48Å; T212-K216 PolarHBondContact O-N 3.41Å; T212-G249 WeakPolarHBondContact OG1-CA 3.5Å; T212-L558 HydrophobicContact CG2-CD2 4.4Å; T212-F560 HydrophobicContact CG2-CB 3.82Å; T212-F560 HydrophobicContact CG2-CD1 4.21Å; T212-F560 HydrophobicContact CG2-CG 4.47Å
213	F	96.8	Very high	95.9	Very high	41 Å²	41	27.1 Å²	27.1	18%	0.18	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-44.4	-179.8	-63.9	-60.4	0	0	0	111.2	V179 N182 K183 S186 V209 L210 K216 R217 L558	V179-F213 HydrophobicContact CG1-CZ 3.88Å; N182-F213 HydrophobicContact CB-CE2 4.06Å; K183-F213 HydrophobicContact CB-CD2 4.21Å; K183-F213 HydrophobicContact CB-CE1 4.25Å; K183-F213 HydrophobicContact CB-CE2 3.83Å; K183-F213 HydrophobicContact CB-CZ 3.85Å; K183-F213 HydrophobicContact CG-CD1 4.27Å; K183-F213 HydrophobicContact CG-CE1 4.16Å; K183-F213 HydrophobicContact CG-CG 4.49Å; K183-F213 HydrophobicContact CG-CZ 4.28Å; S186-F213 WeakPolarHBondContact OG-CB 3.46Å; V209-F213 HydrophobicContact CG2-CE2 4.36Å; L210-F213 PolarHBondContact O-N 3.4Å; L210-F213 VanDerWaalsContact O-N 3.16Å; F213-K216 PolarHBondContact O-N 3.07Å; F213-R217 PolarHBondContact O-N 3.36Å; F213-L558 HydrophobicContact CZ-CD2 4.23Å
214	L	96.7	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-48.9	175.5	-65.7	-173	0	0	0	112	V189 M190 V200 I202 L210 P211 K216 R217 F218 I221 L223	V189-L214 HydrophobicContact CB-CD2 3.95Å; V189-L214 HydrophobicContact CG1-CD1 4.03Å; V189-L214 HydrophobicContact CG1-CD2 3.79Å; M190-L214 HydrophobicContact CG-CD2 3.97Å; V200-L214 HydrophobicContact CG1-CD1 4.1Å; I202-L214 HydrophobicContact CD1-CD1 4.41Å; L210-L214 HydrophobicContact CD2-CD1 3.49Å; L210-L214 VanDerWaalsContact CD2-CD1 3.49Å; L210-L214 HydrophobicContact CD2-CG 3.81Å; L210-L214 PolarHBondContact O-N 3.49Å; P211-L214 PolarHBondContact O-N 2.99Å; L214-K216 PolarHBondContact O-N 2.81Å; L214-R217 PolarHBondContact O-N 3.24Å; L214-F218 PolarHBondContact O-N 3.34Å; L214-I221 HydrophobicContact CB-CD1 4.07Å; L214-I221 HydrophobicContact CD1-CD1 4.14Å; L214-L223 HydrophobicContact CB-CD1 4.38Å; L214-L223 HydrophobicContact CB-CD2 4.46Å; L214-L223 HydrophobicContact CD1-CD2 3.87Å
215	R	94.3	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-28.5	-179	-152.2	68.7	175.2	-125.7	20.3	112.4	P211 F218 N219 L223 N252 D254 H546 F560 V562	P211-R215 VanDerWaalsContact O-CB 3.24Å; P211-R215 WeakPolarHBondContact O-CB 3.29Å; P211-R215 PolarHBondContact O-N 2.98Å; R215-F218 CarbonylContact O-C 3.55Å; R215-N219 PolarHBondContact NE-O 3.04Å; R215-N219 PolarHBondContact O-N 2.77Å; R215-N219 PolarHBondContact O-OD1 2.87Å; R215-L223 HydrophobicContact CB-CD1 4.35Å; R215-N252 HydrophobicContact CB-CB 4.07Å; R215-N252 HydrophobicContact CG-CB 4.36Å; R215-N252 PolarHBondContact NH1-O 3.15Å; R215-D254 IonicContact CZ-OD1 3.13Å; R215-D254 VanDerWaalsContact CZ-OD1 3.22Å; R215-D254 IonicContact CZ-OD2 2.73Å; R215-D254 IonicContact NH1-OD1 3.29Å; R215-D254 PolarHBondContact NH1-OD1 2.75Å; R215-D254 IonicContact NH1-OD2 2.76Å; R215-D254 PolarHBondContact NH1-OD2 2.89Å; R215-D254 IonicContact NH2-OD1 2.7Å; R215-D254 PolarHBondContact NH2-OD1 3.42Å; R215-D254 IonicContact NH2-OD2 3.15Å; R215-D254 PolarHBondContact NH2-OD2 3.1Å; R215-H546 PolarHBondContact NH2-NE2 3.01Å; R215-H546 VanDerWaalsContact NH2-NE2 3.13Å; R215-F560 HydrophobicContact CB-CE1 4.21Å; R215-F560 HydrophobicContact CG-CE1 4.43Å; R215-V562 HydrophobicContact CG-CB 4.49Å; R215-V562 HydrophobicContact CG-CG2 3.58Å
216	K	93.5	Very high	96	Very high	113 Å²	113	25.8 Å²	25.8	49%	0.491	11%	0.108	S	C	.	.	H	α-helix	trans	-70.4	-29.4	172.4	-176.1	-179.5	-177.9	-170.5	0	113.7	T212 F213 L214 F560	T212-K216 WeakPolarHBondContact O-CB 3.48Å; T212-K216 PolarHBondContact O-N 3.41Å; F213-K216 PolarHBondContact O-N 3.07Å; L214-K216 PolarHBondContact O-N 2.81Å; K216-F560 VanDerWaalsContact CA-CE1 3.49Å; K216-F560 VanDerWaalsContact CA-CZ 3.49Å; K216-F560 HydrophobicContact CB-CD1 3.89Å; K216-F560 HydrophobicContact CB-CD2 4.19Å; K216-F560 HydrophobicContact CB-CE1 3.92Å; K216-F560 HydrophobicContact CB-CE2 4.18Å; K216-F560 HydrophobicContact CB-CG 4.05Å; K216-F560 HydrophobicContact CB-CZ 4.07Å; K216-F560 HydrophobicContact CD-CD2 4.44Å; K216-F560 HydrophobicContact CG-CD2 3.97Å; K216-F560 HydrophobicContact CG-CE2 4.03Å; K216-F560 HydrophobicContact CG-CG 4.24Å; K216-F560 HydrophobicContact CG-CZ 4.39Å
217	R	93.3	Very high	96	Very high	154 Å²	154	25.1 Å²	25.1	58%	0.581	11%	0.105	S	C	*	.	H	α-helix	trans	-81.7	-39	171.7	-172.4	63.5	169.8	142.8	-2.2	112	M190 F213 L214	M190-R217 HydrophobicContact SD-CB 3.52Å; M190-R217 VanDerWaalsContact SD-CB 3.52Å; M190-R217 HydrophobicContact SD-CG 3.55Å; M190-R217 VanDerWaalsContact SD-CG 3.55Å; F213-R217 PolarHBondContact O-N 3.36Å; L214-R217 PolarHBondContact O-N 3.24Å
218	F	92.6	Very high	95.9	Very high	50 Å²	50	26.5 Å²	26.5	22%	0.219	11%	0.111	C	C	.	.			trans	-136.6	93.6	-170.8	-56.6	-61.3	0	0	0	110.8	M190 I193 P195 L214 R215 R220 I221	M190-F218 HydrophobicContact CG-CE2 4.09Å; I193-F218 HydrophobicContact CG2-CE2 3.84Å; I193-F218 HydrophobicContact CG2-CZ 4.44Å; P195-F218 HydrophobicContact CB-CB 4.13Å; P195-F218 HydrophobicContact CB-CD1 3.67Å; P195-F218 HydrophobicContact CB-CD2 4.01Å; P195-F218 HydrophobicContact CB-CE1 3.97Å; P195-F218 HydrophobicContact CB-CE2 4.27Å; P195-F218 HydrophobicContact CB-CG 3.68Å; P195-F218 HydrophobicContact CB-CZ 4.25Å; P195-F218 HydrophobicContact CG-CD1 3.82Å; P195-F218 HydrophobicContact CG-CE1 3.71Å; P195-F218 HydrophobicContact CG-CG 4.34Å; P195-F218 HydrophobicContact CG-CZ 4.13Å; L214-F218 PolarHBondContact O-N 3.34Å; R215-F218 CarbonylContact O-C 3.55Å; F218-R220 PolarHBondContact O-N 3.49Å; F218-I221 HydrophobicContact CB-CB 3.83Å; F218-I221 HydrophobicContact CB-CG2 4.05Å; F218-I221 HydrophobicContact CD2-CD1 4.34Å; F218-I221 WeakPolarHBondContact O-CG2 3.25Å; F218-I221 PolarHBondContact O-N 2.8Å; F218-I221 VanDerWaalsContact O-N 3.15Å
219	N	89.9	Confident	95.8	Very high	47 Å²	47	26.6 Å²	26.6	25%	0.251	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.7	-174.6	-57.1	-8.4	0	0	0	114.8	R215 C551 G553 V562	R215-N219 PolarHBondContact NE-O 3.04Å; R215-N219 PolarHBondContact O-N 2.77Å; R215-N219 PolarHBondContact O-OD1 2.87Å; N219-C551 HydrophobicContact CB-CB 3.97Å; N219-C551 PolarHBondContact ND2-O 2.84Å; N219-G553 PolarHBondContact ND2-N 3.11Å; N219-V562 HydrophobicContact CB-CG1 4.38Å; N219-V562 HydrophobicContact CB-CG2 3.95Å
220	R	90	Very high	95.7	Very high	103 Å²	103	26.6 Å²	26.6	39%	0.389	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	4.5	-175.9	-76.7	177.6	164.7	172.8	-9.5	114.8	F218 H546 K549 C551	F218-R220 PolarHBondContact O-N 3.49Å; R220-H546 HydrophobicContact CG-CB 4.42Å; R220-H546 PolarHBondContact NE-O 2.87Å; R220-H546 PolarHBondContact NH2-O 2.8Å; R220-H546 PolarHBondContact O-CE1 3Å; R220-H546 PolarHBondContact O-ND1 2.85Å; R220-K549 PolarHBondContact NH2-O 3.46Å; R220-C551 HydrophobicContact CG-CB 4.11Å
221	I	93.9	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	11%	0.112	C	C	.	.			trans	-57.5	141	174.7	-171.9	179.3	0	0	0	111	I193 V200 L214 F218 L223 H546	I193-I221 HydrophobicContact CD1-CD1 3.26Å; I193-I221 HydrophobicContact CD1-CG1 3.79Å; V200-I221 HydrophobicContact CG2-CD1 3.88Å; V200-I221 HydrophobicContact CG2-CG1 4.25Å; L214-I221 HydrophobicContact CB-CD1 4.07Å; L214-I221 HydrophobicContact CD1-CD1 4.14Å; F218-I221 HydrophobicContact CB-CB 3.83Å; F218-I221 HydrophobicContact CB-CG2 4.05Å; F218-I221 HydrophobicContact CD2-CD1 4.34Å; F218-I221 WeakPolarHBondContact O-CG2 3.25Å; F218-I221 PolarHBondContact O-N 2.8Å; F218-I221 VanDerWaalsContact O-N 3.15Å; I221-L223 HydrophobicContact CD1-CD2 3.88Å; I221-L223 HydrophobicContact CG1-CD2 3.93Å; I221-L223 HydrophobicContact CG1-CG 4.48Å; I221-L223 HydrophobicContact CG2-CD1 3.99Å; I221-L223 HydrophobicContact CG2-CD2 4Å; I221-L223 HydrophobicContact CG2-CG 3.82Å; I221-L223 PolarHBondContact O-N 3.46Å; I221-H546 VanDerWaalsContact C-NE2 3.28Å; I221-H546 PolarHBondContact O-NE2 3.48Å
222	K	95.8	Very high	95.6	Very high	15 Å²	15	26.6 Å²	26.6	7%	0.065	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	103.9	-173.1	-54.3	174.1	-159	168.8	0	109.3	E196 D197 Y199 V200 C543 H546 Y547	E196-K222 WeakPolarHBondContact O-CE 3.24Å; E196-K222 PolarHBondContact O-NZ 3.47Å; D197-K222 VanDerWaalsContact C-NZ 3.31Å; D197-K222 PolarHBondContact O-NZ 3.28Å; Y199-K222 HydrophobicContact CD1-CB 3.67Å; Y199-K222 HydrophobicContact CD1-CD 3.76Å; Y199-K222 HydrophobicContact CD1-CG 4.31Å; Y199-K222 HydrophobicContact CE1-CB 4.1Å; Y199-K222 HydrophobicContact CE1-CD 3.51Å; Y199-K222 HydrophobicContact CE1-CG 4.31Å; Y199-K222 HydrophobicContact CE2-CD 4.35Å; Y199-K222 HydrophobicContact CG-CB 4.4Å; Y199-K222 HydrophobicContact CG-CD 4.28Å; V200-K222 PolarHBondContact N-O 2.92Å; K222-C543 HydrophobicContact CB-CB 4.34Å; K222-C543 VanDerWaalsContact CB-SG 3.55Å; K222-C543 HydrophobicContact CD-CB 4.41Å; K222-C543 HydrophobicContact CG-CB 4.03Å; K222-H546 VanDerWaalsContact CA-NE2 3.33Å; K222-H546 WeakPolarHBondContact CA-NE2 3.21Å; K222-Y547 WeakPolarHBondContact CE-OH 3.48Å
223	L	97.4	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112	-168.3	-65.8	-171.9	0	0	0	113.8	V200 P211 L214 R215 I221 C253 D254 L255	V200-L223 HydrophobicContact CB-CD2 3.84Å; V200-L223 HydrophobicContact CG1-CD2 4.48Å; V200-L223 HydrophobicContact CG2-CD2 4.32Å; P211-L223 HydrophobicContact CB-CD1 4.02Å; L214-L223 HydrophobicContact CB-CD1 4.38Å; L214-L223 HydrophobicContact CB-CD2 4.46Å; L214-L223 HydrophobicContact CD1-CD2 3.87Å; R215-L223 HydrophobicContact CB-CD1 4.35Å; I221-L223 HydrophobicContact CD1-CD2 3.88Å; I221-L223 HydrophobicContact CG1-CD2 3.93Å; I221-L223 HydrophobicContact CG1-CG 4.48Å; I221-L223 HydrophobicContact CG2-CD1 3.99Å; I221-L223 HydrophobicContact CG2-CD2 4Å; I221-L223 HydrophobicContact CG2-CG 3.82Å; I221-L223 PolarHBondContact O-N 3.46Å; L223-C253 HydrophobicContact CB-CB 4.32Å; L223-C253 WeakPolarHBondContact O-CB 3.16Å; L223-D254 PolarHBondContact N-OD2 3.01Å; L223-D254 PolarHBondContact O-N 2.99Å; L223-L255 PolarHBondContact O-N 3.48Å
224	G	98.3	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.5	163.5	0	0	0	0	0	111.8	V200 W201 I202 L255	V200-G224 PolarHBondContact O-N 3.23Å; W201-G224 WeakPolarHBondContact CA-O 3.41Å; I202-G224 PolarHBondContact N-O 2.91Å; G224-L255 WeakPolarHBondContact CA-O 3.45Å
225	F	98.8	Very high	94.8	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.3	166.5	178	-88.4	0	0	0	110.2	I202 D204 M208 L227 L250 C253 L255 I256 G257 F535	I202-F225 HydrophobicContact CB-CD2 3.96Å; I202-F225 HydrophobicContact CG2-CD2 3.78Å; I202-F225 HydrophobicContact CG2-CE2 4.15Å; I202-F225 CarbonylContact O-C 3.56Å; I202-F225 WeakPolarHBondContact O-CA 3.49Å; D204-F225 WeakPolarHBondContact O-CE2 3.06Å; D204-F225 WeakPolarHBondContact O-CZ 3.08Å; M208-F225 HydrophobicContact CG-CE2 4.12Å; M208-F225 HydrophobicContact CG-CZ 3.76Å; F225-L227 HydrophobicContact CE1-CB 3.95Å; F225-L227 HydrophobicContact CE1-CD1 4.02Å; F225-L227 HydrophobicContact CZ-CD1 4.04Å; F225-L250 HydrophobicContact CD1-CD2 3.53Å; F225-L250 HydrophobicContact CD2-CD2 3.94Å; F225-L250 HydrophobicContact CE1-CD2 3.52Å; F225-L250 HydrophobicContact CE2-CD2 3.95Å; F225-L250 HydrophobicContact CG-CD2 3.75Å; F225-L250 HydrophobicContact CZ-CD2 3.75Å; F225-C253 VanDerWaalsContact CB-SG 3.58Å; F225-L255 PolarHBondContact N-O 3.22Å; F225-I256 HydrophobicContact CD1-CG2 4.2Å; F225-I256 CarbonylContact O-C 3.57Å; F225-G257 PolarHBondContact O-N 2.8Å; F225-F535 WeakPolarHBondContact O-CZ 3.49Å
226	F	98.6	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130	171.4	-161.3	-70.7	0	0	0	111.8	W201 I202 D204 H228 H259 L300 W531 F535	W201-F226 HydrophobicContact CZ2-CB 4.35Å; W201-F226 HydrophobicContact CZ2-CD2 4.4Å; I202-F226 PolarHBondContact O-N 2.69Å; D204-F226 WeakPolarHBondContact CA-O 3.31Å; D204-F226 PolarHBondContact N-O 2.97Å; F226-H228 AromaticContact CD1-CE1 3.52Å; F226-H228 AromaticContact CD1-ND1 3.63Å; F226-H228 AromaticContact CE1-CE1 3.98Å; F226-H228 AromaticContact CE1-ND1 3.79Å; F226-H259 AromaticContact CE1-CE1 3.19Å; F226-H259 WeakPolarHBondContact CE1-CE1 3.41Å; F226-H259 AromaticContact CE1-CG 3.95Å; F226-H259 AromaticContact CE1-ND1 3.4Å; F226-H259 WeakPolarHBondContact CE1-ND1 3.34Å; F226-H259 AromaticContact CE1-NE2 3.67Å; F226-H259 AromaticContact CZ-CE1 3.61Å; F226-H259 AromaticContact CZ-ND1 3.41Å; F226-H259 WeakPolarHBondContact CZ-ND1 3.37Å; F226-L300 WeakPolarHBondContact CZ-O 3.49Å; F226-W531 HydrophobicContact CB-CZ2 4.49Å; F226-W531 HydrophobicContact CD1-CZ2 4.08Å; F226-W531 AromaticContact CD2-CZ2 3.85Å; F226-W531 HydrophobicContact CD2-CZ2 3.85Å; F226-W531 AromaticContact CD2-NE1 3.84Å; F226-W531 HydrophobicContact CE1-CZ2 4.41Å; F226-W531 HydrophobicContact CE2-CZ2 4.17Å; F226-W531 AromaticContact CE2-NE1 3.29Å; F226-W531 VanDerWaalsContact CE2-NE1 3.29Å; F226-W531 AromaticContact CG-CZ2 3.85Å; F226-W531 HydrophobicContact CG-CZ2 3.85Å; F226-W531 HydrophobicContact CZ-CZ2 4.46Å; F226-W531 AromaticContact CZ-NE1 3.52Å; F226-F535 AromaticContact CD2-CD2 3.79Å; F226-F535 HydrophobicContact CD2-CD2 3.79Å; F226-F535 AromaticContact CD2-CE2 3.87Å; F226-F535 HydrophobicContact CD2-CE2 3.87Å; F226-F535 HydrophobicContact CE2-CD2 4.35Å
227	L	98.3	Very high	94.9	Very high	2 Å²	2	26 Å²	26	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.4	175.9	-163.6	70.6	0	0	0	111.8	F156 M208 F225 S229 F231 G257 F258	F156-L227 HydrophobicContact CD2-CD2 4.45Å; F156-L227 HydrophobicContact CE2-CD1 4.24Å; F156-L227 HydrophobicContact CE2-CD2 4.2Å; M208-L227 HydrophobicContact SD-CD1 4.48Å; F225-L227 HydrophobicContact CE1-CB 3.95Å; F225-L227 HydrophobicContact CE1-CD1 4.02Å; F225-L227 HydrophobicContact CZ-CD1 4.04Å; L227-S229 WeakPolarHBondContact CD1-OG 3.38Å; L227-S229 WeakPolarHBondContact CG-O 3.45Å; L227-S229 WeakPolarHBondContact CG-OG 3.36Å; L227-F231 HydrophobicContact CD2-CB 3.92Å; L227-F231 HydrophobicContact CD2-CD2 3.85Å; L227-F231 HydrophobicContact CD2-CG 4.39Å; L227-G257 PolarHBondContact N-O 3.32Å; L227-F258 HydrophobicContact CB-CD1 4.04Å; L227-F258 HydrophobicContact CB-CE1 4.15Å; L227-F258 HydrophobicContact CD2-CD1 4.09Å; L227-F258 HydrophobicContact CD2-CE1 3.88Å
228	H	96.3	Very high	94.8	Very high	30 Å²	30	23.7 Å²	23.7	14%	0.139	11%	0.107	C	C	.	.			trans	-94	-25.1	177.8	-68.5	-55.2	0	0	0	113.5	L88 D204 F226 H259 G440 W531	L88-H228 VanDerWaalsContact CD2-CE1 3.42Å; L88-H228 WeakPolarHBondContact CD2-CE1 3.25Å; D204-H228 HydrophobicContact CB-CB 4.45Å; D204-H228 PolarHBondContact OD1-N 3.35Å; F226-H228 AromaticContact CD1-CE1 3.52Å; F226-H228 AromaticContact CD1-ND1 3.63Å; F226-H228 AromaticContact CE1-CE1 3.98Å; F226-H228 AromaticContact CE1-ND1 3.79Å; H228-H259 AromaticContact CG-NE2 3.89Å; H228-H259 AromaticContact ND1-CE1 3.43Å; H228-H259 PolarHBondContact ND1-CE1 2.89Å; H228-H259 AromaticContact ND1-NE2 3.02Å; H228-H259 PolarHBondContact ND1-NE2 3Å; H228-G440 CarbonylContact O-C 3.59Å; H228-G440 VanDerWaalsContact O-CA 3.31Å; H228-G440 WeakPolarHBondContact O-CA 3.2Å; H228-W531 AromaticContact CE1-CH2 3.97Å; H228-W531 AromaticContact CE1-CZ2 3.68Å
229	S	95.4	Very high	94.7	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.014	12%	0.116	C	C	.	.	S	Bend	trans	-71.9	163.5	165.7	48.2	0	0	0	0	112.3	D204 Y205 L227	D204-S229 PolarHBondContact OD1-N 2.82Å; D204-S229 PolarHBondContact OD1-OG 3.49Å; Y205-S229 WeakPolarHBondContact CD1-OG 3.36Å; L227-S229 WeakPolarHBondContact CD1-OG 3.38Å; L227-S229 WeakPolarHBondContact CG-O 3.45Å; L227-S229 WeakPolarHBondContact CG-OG 3.36Å
230	P	96.5	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-63	151.2	167	-12	26.2	0	0	0	110.6	F156 H157 Y263 R438	F156-P230 WeakPolarHBondContact CB-O 3.29Å; F156-P230 VanDerWaalsContact CD2-O 3.23Å; F156-P230 WeakPolarHBondContact CD2-O 3.47Å; H157-P230 VanDerWaalsContact NE2-CD 3.33Å; H157-P230 WeakPolarHBondContact NE2-CD 3.18Å; P230-Y263 HydrophobicContact CB-CD1 4.14Å; P230-Y263 HydrophobicContact CB-CE1 3.76Å; P230-Y263 HydrophobicContact CB-CE2 4.24Å; P230-R438 HydrophobicContact CG-CG 4.01Å
231	F	97.3	Very high	95	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-97.4	127.2	163	-162.4	-85.2	0	0	0	109.6	F156 L227 Y237 L247 F258 H266 F267 C270	F156-F231 HydrophobicContact CE2-CD2 4.45Å; F156-F231 HydrophobicContact CZ-CE2 4.42Å; L227-F231 HydrophobicContact CD2-CB 3.92Å; L227-F231 HydrophobicContact CD2-CD2 3.85Å; L227-F231 HydrophobicContact CD2-CG 4.39Å; F231-Y237 HydrophobicContact CE1-CD2 4.2Å; F231-Y237 HydrophobicContact CE1-CG 4.22Å; F231-Y237 HydrophobicContact CE2-CD2 4.45Å; F231-Y237 HydrophobicContact CE2-CE2 4.1Å; F231-Y237 HydrophobicContact CZ-CD1 4.26Å; F231-Y237 AromaticContact CZ-CD2 3.78Å; F231-Y237 HydrophobicContact CZ-CD2 3.78Å; F231-Y237 HydrophobicContact CZ-CE1 4.19Å; F231-Y237 AromaticContact CZ-CE2 3.68Å; F231-Y237 HydrophobicContact CZ-CE2 3.68Å; F231-Y237 HydrophobicContact CZ-CG 4.08Å; F231-Y237 AromaticContact CZ-CZ 3.9Å; F231-L247 HydrophobicContact CZ-CD2 4.13Å; F231-F258 HydrophobicContact CB-CD1 4.25Å; F231-F258 HydrophobicContact CB-CE1 3.95Å; F231-F258 HydrophobicContact CD2-CE1 4.06Å; F231-F258 HydrophobicContact CG-CE1 4.18Å; F231-H266 HydrophobicContact CD1-CB 3.98Å; F231-H266 PolarHBondContact O-CD2 3.14Å; F231-F267 HydrophobicContact CD1-CB 3.95Å; F231-F267 HydrophobicContact CD2-CB 4.44Å; F231-F267 HydrophobicContact CD2-CD2 4.38Å; F231-F267 HydrophobicContact CE1-CB 4.12Å; F231-F267 HydrophobicContact CE1-CD2 4.44Å; F231-F267 AromaticContact CE2-CD2 3.9Å; F231-F267 HydrophobicContact CE2-CD2 3.9Å; F231-F267 HydrophobicContact CG-CB 4.13Å; F231-F267 HydrophobicContact CZ-CB 4.42Å; F231-F267 AromaticContact CZ-CD2 3.94Å; F231-F267 HydrophobicContact CZ-CD2 3.94Å; F231-C270 HydrophobicContact CE1-CB 4.31Å
232	P	96.3	Very high	95.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-79	153.5	-175.4	31.5	-34.6	0	0	0	113.1	F156 Y158 I236 Y237	F156-P232 HydrophobicContact CD1-CG 3.78Å; F156-P232 HydrophobicContact CE1-CG 4.18Å; F156-P232 HydrophobicContact CG-CG 4.27Å; Y158-P232 HydrophobicContact CD2-CB 4.25Å; Y158-P232 HydrophobicContact CE2-CB 3.84Å; P232-I236 HydrophobicContact CB-CB 4.07Å; P232-I236 HydrophobicContact CB-CG2 3.85Å; P232-Y237 HydrophobicContact CG-CD2 3.93Å
233	S	94.5	Very high	95	Very high	25 Å²	25	24.3 Å²	24.3	18%	0.175	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-58.9	155.4	175.1	68.3	0	0	0	0	112.2	Y158 E235 I236 Y237	Y158-S233 PolarHBondContact OH-N 3.42Å; S233-E235 PolarHBondContact O-N 2.69Å; S233-E235 VanDerWaalsContact O-N 3.12Å; S233-I236 PolarHBondContact O-N 2.7Å; S233-Y237 WeakPolarHBondContact O-CB 3.49Å; S233-Y237 PolarHBondContact O-N 2.79Å
234	S	90.8	Very high	94.8	Very high	8 Å²	8	26.3 Å²	26.3	6%	0.056	13%	0.132	C	C	.	.	H	α-helix	trans	-59.2	-27.2	-175.9	39.8	0	0	0	0	114	R238 S269 C270 R273	S234-R238 VanDerWaalsContact O-CB 3.25Å; S234-R238 WeakPolarHBondContact O-CB 3.37Å; S234-R238 VanDerWaalsContact O-CG 3.29Å; S234-R238 WeakPolarHBondContact O-CG 3.31Å; S234-R238 PolarHBondContact O-N 2.78Å; S234-S269 PolarHBondContact OG-OG 3.12Å; S234-C270 VanDerWaalsContact CA-SG 3.51Å; S234-C270 VanDerWaalsContact CB-SG 3.59Å; S234-R273 PolarHBondContact OG-NH1 3.1Å
235	E	89.9	Confident	94.7	Very high	82 Å²	82	28.5 Å²	28.5	38%	0.383	14%	0.142	S	C	.	.	H	α-helix	trans	-68.5	-34	172.9	-68.4	-53.6	129.1	0	0	114.1	S233 R238 R273	S233-E235 PolarHBondContact O-N 2.69Å; S233-E235 VanDerWaalsContact O-N 3.12Å; E235-R238 IonicContact OE1-CZ 3.31Å; E235-R238 IonicContact OE1-NE 3.98Å; E235-R238 IonicContact OE1-NH2 3.58Å; E235-R238 IonicContact OE2-CZ 3.78Å; E235-R238 IonicContact OE2-NE 3.83Å; E235-R238 PolarHBondContact OE2-NE 2.97Å; E235-R238 IonicContact OE2-NH2 2.73Å; E235-R238 PolarHBondContact OE2-NH2 3.34Å; E235-R273 IonicContact OE1-CZ 2.93Å; E235-R273 VanDerWaalsContact OE1-CZ 3.26Å; E235-R273 IonicContact OE1-NH1 3.2Å; E235-R273 PolarHBondContact OE1-NH1 2.76Å; E235-R273 IonicContact OE1-NH2 3.16Å; E235-R273 PolarHBondContact OE1-NH2 3.4Å
236	I	93.9	Very high	94.6	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.138	14%	0.142	C	C	.	.	H	α-helix	trans	-82.8	-47.4	174.3	-61.7	-60.9	0	0	0	109.7	L155 Y158 L160 P232 S233 R238 T239	L155-I236 HydrophobicContact CD1-CG2 3.65Å; L155-I236 HydrophobicContact CG-CG2 4.24Å; L155-I236 WeakPolarHBondContact O-CG2 3.28Å; Y158-I236 HydrophobicContact CD1-CG1 3.83Å; Y158-I236 HydrophobicContact CE1-CG1 4.08Å; Y158-I236 HydrophobicContact CG-CG1 4.38Å; L160-I236 HydrophobicContact CD1-CD1 3.99Å; L160-I236 HydrophobicContact CD2-CD1 4.05Å; L160-I236 HydrophobicContact CD2-CG2 4.13Å; L160-I236 HydrophobicContact CG-CD1 4.06Å; P232-I236 HydrophobicContact CB-CB 4.07Å; P232-I236 HydrophobicContact CB-CG2 3.85Å; S233-I236 PolarHBondContact O-N 2.7Å; I236-R238 VanDerWaalsContact C-N 3.26Å; I236-R238 PolarHBondContact O-N 3.43Å; I236-T239 WeakPolarHBondContact O-CB 3.46Å; I236-T239 PolarHBondContact O-N 2.94Å; I236-T239 VanDerWaalsContact O-N 3.12Å; I236-T239 PolarHBondContact O-OG1 2.95Å
237	Y	94.8	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-33.4	-177.8	-167.9	-108.3	0	0	0	112.9	F156 F231 P232 S233 T239 L240 R243 I246 L247 C270 M274	F156-Y237 HydrophobicContact CE1-CD2 4.21Å; F156-Y237 HydrophobicContact CE1-CE2 4.04Å; F156-Y237 HydrophobicContact CZ-CE2 4.27Å; F231-Y237 HydrophobicContact CE1-CD2 4.2Å; F231-Y237 HydrophobicContact CE1-CG 4.22Å; F231-Y237 HydrophobicContact CE2-CD2 4.45Å; F231-Y237 HydrophobicContact CE2-CE2 4.1Å; F231-Y237 HydrophobicContact CZ-CD1 4.26Å; F231-Y237 AromaticContact CZ-CD2 3.78Å; F231-Y237 HydrophobicContact CZ-CD2 3.78Å; F231-Y237 HydrophobicContact CZ-CE1 4.19Å; F231-Y237 AromaticContact CZ-CE2 3.68Å; F231-Y237 HydrophobicContact CZ-CE2 3.68Å; F231-Y237 HydrophobicContact CZ-CG 4.08Å; F231-Y237 AromaticContact CZ-CZ 3.9Å; P232-Y237 HydrophobicContact CG-CD2 3.93Å; S233-Y237 WeakPolarHBondContact O-CB 3.49Å; S233-Y237 PolarHBondContact O-N 2.79Å; Y237-T239 PolarHBondContact O-N 2.99Å; Y237-L240 HydrophobicContact CE2-CD2 4.37Å; Y237-L240 WeakPolarHBondContact O-CB 3.21Å; Y237-L240 PolarHBondContact O-N 3.35Å; Y237-L240 VanDerWaalsContact O-N 3.14Å; Y237-R243 HydrophobicContact CD1-CB 4.09Å; Y237-R243 HydrophobicContact CE1-CB 3.6Å; Y237-R243 PolarHBondContact OH-O 2.94Å; Y237-R243 VanDerWaalsContact OH-O 3.12Å; Y237-I246 WeakPolarHBondContact OH-CB 3.21Å; Y237-I246 VanDerWaalsContact OH-CG2 3.29Å; Y237-I246 WeakPolarHBondContact OH-CG2 3.09Å; Y237-L247 HydrophobicContact CE1-CD1 3.88Å; Y237-L247 HydrophobicContact CE1-CD2 3.84Å; Y237-L247 HydrophobicContact CE1-CG 3.67Å; Y237-C270 HydrophobicContact CD1-CB 3.99Å; Y237-C270 HydrophobicContact CE1-CB 4.41Å; Y237-M274 HydrophobicContact CD1-CE 3.77Å; Y237-M274 HydrophobicContact CD1-SD 3.79Å; Y237-M274 HydrophobicContact CE1-SD 4.02Å
238	R	91.5	Very high	94.4	Very high	106 Å²	106	31.6 Å²	31.6	40%	0.4	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.6	178.9	73.7	-173.4	-178.4	131.6	-7.3	114.7	S234 E235 I236 L240 R243 M274	S234-R238 VanDerWaalsContact O-CB 3.25Å; S234-R238 WeakPolarHBondContact O-CB 3.37Å; S234-R238 VanDerWaalsContact O-CG 3.29Å; S234-R238 WeakPolarHBondContact O-CG 3.31Å; S234-R238 PolarHBondContact O-N 2.78Å; E235-R238 IonicContact OE1-CZ 3.31Å; E235-R238 IonicContact OE1-NE 3.98Å; E235-R238 IonicContact OE1-NH2 3.58Å; E235-R238 IonicContact OE2-CZ 3.78Å; E235-R238 IonicContact OE2-NE 3.83Å; E235-R238 PolarHBondContact OE2-NE 2.97Å; E235-R238 IonicContact OE2-NH2 2.73Å; E235-R238 PolarHBondContact OE2-NH2 3.34Å; I236-R238 VanDerWaalsContact C-N 3.26Å; I236-R238 PolarHBondContact O-N 3.43Å; R238-L240 PolarHBondContact O-N 3.32Å; R238-R243 PolarHBondContact O-NH1 3.06Å; R238-M274 HydrophobicContact CB-CE 3.46Å; R238-M274 VanDerWaalsContact CB-CE 3.46Å
239	T	91.5	Very high	94.5	Very high	68 Å²	68	30.1 Å²	30.1	42%	0.417	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.8	175.5	69.9	0	0	0	0	113.4	L155 L160 I236 Y237 P241	L155-T239 WeakPolarHBondContact CD1-OG1 3.32Å; L160-T239 HydrophobicContact CD2-CG2 3.9Å; L160-T239 WeakPolarHBondContact CD2-OG1 3.34Å; I236-T239 WeakPolarHBondContact O-CB 3.46Å; I236-T239 PolarHBondContact O-N 2.94Å; I236-T239 VanDerWaalsContact O-N 3.12Å; I236-T239 PolarHBondContact O-OG1 2.95Å; Y237-T239 PolarHBondContact O-N 2.99Å; T239-P241 WeakPolarHBondContact O-CD 3.28Å
240	L	92.6	Very high	94.6	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	15%	0.147	C	C	.	.	S	Bend	trans	-79.5	119.4	174.8	-173.1	60.7	0	0	0	110.9	Q151 L152 L155 F170 Y237 R238 V242 R243 I246	Q151-L240 HydrophobicContact CG-CD1 4.27Å; L152-L240 HydrophobicContact CD2-CD2 4.14Å; L155-L240 HydrophobicContact CD2-CB 3.77Å; L155-L240 HydrophobicContact CD2-CD1 4.28Å; L155-L240 HydrophobicContact CD2-CD2 4.09Å; L155-L240 HydrophobicContact CD2-CG 4.27Å; F170-L240 HydrophobicContact CD2-CD1 4.41Å; F170-L240 HydrophobicContact CE2-CD1 4.48Å; Y237-L240 HydrophobicContact CE2-CD2 4.37Å; Y237-L240 WeakPolarHBondContact O-CB 3.21Å; Y237-L240 PolarHBondContact O-N 3.35Å; Y237-L240 VanDerWaalsContact O-N 3.14Å; R238-L240 PolarHBondContact O-N 3.32Å; L240-V242 HydrophobicContact CD1-CG2 4.13Å; L240-V242 HydrophobicContact CD2-CG2 4.31Å; L240-V242 HydrophobicContact CG-CG2 3.98Å; L240-V242 PolarHBondContact O-N 3.04Å; L240-V242 VanDerWaalsContact O-N 3.09Å; L240-R243 HydrophobicContact CB-CB 4.42Å; L240-R243 WeakPolarHBondContact O-CB 3.29Å; L240-R243 WeakPolarHBondContact O-CD 3.47Å; L240-R243 WeakPolarHBondContact O-CG 3.34Å; L240-R243 PolarHBondContact O-N 3.16Å; L240-I246 HydrophobicContact CD2-CD1 3.75Å
241	P	92.6	Very high	94.6	Very high	74 Å²	74	30.1 Å²	30.1	48%	0.481	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.9	-178.4	-26.5	38.4	0	0	0	115.8	F170 T239	F170-P241 HydrophobicContact CB-CG 3.89Å; F170-P241 HydrophobicContact CD1-CB 4.19Å; F170-P241 HydrophobicContact CD1-CG 4.01Å; F170-P241 HydrophobicContact CD2-CB 4.26Å; F170-P241 HydrophobicContact CD2-CG 3.82Å; F170-P241 HydrophobicContact CE1-CB 4.29Å; F170-P241 HydrophobicContact CE2-CB 4.35Å; F170-P241 HydrophobicContact CE2-CG 4.4Å; F170-P241 HydrophobicContact CG-CB 4.19Å; F170-P241 HydrophobicContact CG-CG 3.62Å; F170-P241 HydrophobicContact CZ-CB 4.38Å; T239-P241 WeakPolarHBondContact O-CD 3.28Å
242	V	94.9	Very high	94.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	24.8	-179.4	-62.3	0	0	0	0	112.9	F147 F170 W175 L240 D244 E245 I246	F147-V242 HydrophobicContact CZ-CG2 3.95Å; F170-V242 HydrophobicContact CE2-CG1 3.99Å; F170-V242 HydrophobicContact CE2-CG2 3.9Å; F170-V242 HydrophobicContact CZ-CG1 3.56Å; F170-V242 HydrophobicContact CZ-CG2 4.3Å; W175-V242 HydrophobicContact CD2-CB 4.14Å; W175-V242 HydrophobicContact CD2-CG1 3.92Å; W175-V242 HydrophobicContact CD2-CG2 3.93Å; W175-V242 HydrophobicContact CE3-CB 4.43Å; W175-V242 HydrophobicContact CE3-CG2 3.83Å; W175-V242 HydrophobicContact CG-CG1 4.01Å; W175-V242 HydrophobicContact CH2-CB 4.08Å; W175-V242 HydrophobicContact CH2-CG2 4.04Å; W175-V242 HydrophobicContact CZ2-CB 3.8Å; W175-V242 HydrophobicContact CZ2-CG1 4.08Å; W175-V242 HydrophobicContact CZ2-CG2 4.18Å; W175-V242 HydrophobicContact CZ3-CB 4.4Å; W175-V242 HydrophobicContact CZ3-CG2 3.88Å; L240-V242 HydrophobicContact CD1-CG2 4.13Å; L240-V242 HydrophobicContact CD2-CG2 4.31Å; L240-V242 HydrophobicContact CG-CG2 3.98Å; L240-V242 PolarHBondContact O-N 3.04Å; L240-V242 VanDerWaalsContact O-N 3.09Å; V242-D244 VanDerWaalsContact C-N 3.28Å; V242-D244 PolarHBondContact O-N 2.95Å; V242-E245 VanDerWaalsContact CA-OE2 3.27Å; V242-E245 WeakPolarHBondContact CA-OE2 3.45Å; V242-E245 PolarHBondContact O-N 2.68Å; V242-I246 HydrophobicContact CG2-CD1 4.09Å; V242-I246 PolarHBondContact O-N 2.92Å
243	R	94.5	Very high	94.6	Very high	80 Å²	80	30.1 Å²	30.1	30%	0.302	15%	0.147	S	C	.	.	H	α-helix	trans	-52.3	-43.4	176.9	61.8	-167.1	-172.8	-130.2	-0.9	112.6	Y237 R238 L240 I246 L247 M274	Y237-R243 HydrophobicContact CD1-CB 4.09Å; Y237-R243 HydrophobicContact CE1-CB 3.6Å; Y237-R243 PolarHBondContact OH-O 2.94Å; Y237-R243 VanDerWaalsContact OH-O 3.12Å; R238-R243 PolarHBondContact O-NH1 3.06Å; L240-R243 HydrophobicContact CB-CB 4.42Å; L240-R243 WeakPolarHBondContact O-CB 3.29Å; L240-R243 WeakPolarHBondContact O-CD 3.47Å; L240-R243 WeakPolarHBondContact O-CG 3.34Å; L240-R243 PolarHBondContact O-N 3.16Å; R243-I246 PolarHBondContact O-N 2.78Å; R243-L247 WeakPolarHBondContact O-CG 3.27Å; R243-L247 PolarHBondContact O-N 2.83Å; R243-M274 HydrophobicContact CB-SD 4.17Å; R243-M274 HydrophobicContact CG-SD 4.07Å
244	D	93.4	Very high	94.7	Very high	43 Å²	43	29.1 Å²	29.1	23%	0.23	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-48	-178.3	-94.8	59.1	0	0	0	112	V242 I246 L247 R248	V242-D244 VanDerWaalsContact C-N 3.28Å; V242-D244 PolarHBondContact O-N 2.95Å; D244-I246 VanDerWaalsContact C-N 3.27Å; D244-I246 PolarHBondContact O-N 2.9Å; D244-L247 PolarHBondContact O-N 3.08Å; D244-R248 VanDerWaalsContact O-CB 3.29Å; D244-R248 WeakPolarHBondContact O-CB 3.19Å; D244-R248 WeakPolarHBondContact O-CD 3.36Å; D244-R248 WeakPolarHBondContact O-CG 3.27Å; D244-R248 PolarHBondContact O-N 3.14Å; D244-R248 IonicContact OD2-CZ 3.57Å; D244-R248 IonicContact OD2-NE 2.83Å; D244-R248 PolarHBondContact OD2-NE 2.83Å; D244-R248 IonicContact OD2-NH2 3.44Å; D244-R248 PolarHBondContact OD2-NH2 3.49Å
245	E	95.9	Very high	95	Very high	46 Å²	46	28.9 Å²	28.9	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-62.9	-34	178.7	-62.6	102.1	123.3	0	0	112.3	R172 W175 V242 G249 L558	R172-E245 IonicContact NH1-OE1 3.46Å; W175-E245 HydrophobicContact CH2-CB 4.08Å; W175-E245 HydrophobicContact CZ2-CB 3.71Å; W175-E245 HydrophobicContact CZ2-CG 4.19Å; V242-E245 VanDerWaalsContact CA-OE2 3.27Å; V242-E245 WeakPolarHBondContact CA-OE2 3.45Å; V242-E245 PolarHBondContact O-N 2.68Å; E245-G249 PolarHBondContact O-N 3.24Å; E245-L558 HydrophobicContact CB-CB 3.99Å; E245-L558 HydrophobicContact CB-CD1 3.88Å; E245-L558 HydrophobicContact CG-CB 4.03Å; E245-L558 HydrophobicContact CG-CD1 4.2Å
246	I	97.4	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-75.1	-44.1	177.9	-69	173.7	0	0	0	111.4	L152 W175 M208 V209 Y237 L240 V242 R243 D244 G249 L250	L152-I246 HydrophobicContact CD2-CD1 4.19Å; W175-I246 HydrophobicContact CH2-CD1 4.27Å; W175-I246 HydrophobicContact CH2-CG1 3.78Å; W175-I246 HydrophobicContact CZ3-CD1 4Å; W175-I246 HydrophobicContact CZ3-CG1 3.97Å; M208-I246 HydrophobicContact CB-CG2 3.99Å; M208-I246 HydrophobicContact CE-CD1 4.07Å; M208-I246 HydrophobicContact CE-CG2 3.64Å; M208-I246 HydrophobicContact SD-CG2 3.75Å; V209-I246 HydrophobicContact CG1-CG1 4.23Å; Y237-I246 WeakPolarHBondContact OH-CB 3.21Å; Y237-I246 VanDerWaalsContact OH-CG2 3.29Å; Y237-I246 WeakPolarHBondContact OH-CG2 3.09Å; L240-I246 HydrophobicContact CD2-CD1 3.75Å; V242-I246 HydrophobicContact CG2-CD1 4.09Å; V242-I246 PolarHBondContact O-N 2.92Å; R243-I246 PolarHBondContact O-N 2.78Å; D244-I246 VanDerWaalsContact C-N 3.27Å; D244-I246 PolarHBondContact O-N 2.9Å; I246-G249 WeakPolarHBondContact O-CA 3.38Å; I246-G249 PolarHBondContact O-N 3.33Å; I246-L250 PolarHBondContact O-N 3.27Å
247	L	97.2	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-46.7	174.1	-68.9	177.1	0	0	0	111.2	F231 Y237 R243 D244 G249 L250 L251 F267 C270 M274 L275	F231-L247 HydrophobicContact CZ-CD2 4.13Å; Y237-L247 HydrophobicContact CE1-CD1 3.88Å; Y237-L247 HydrophobicContact CE1-CD2 3.84Å; Y237-L247 HydrophobicContact CE1-CG 3.67Å; R243-L247 WeakPolarHBondContact O-CG 3.27Å; R243-L247 PolarHBondContact O-N 2.83Å; D244-L247 PolarHBondContact O-N 3.08Å; L247-G249 PolarHBondContact O-N 3.02Å; L247-L250 PolarHBondContact O-N 2.76Å; L247-L251 WeakPolarHBondContact O-CB 3.46Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 3.35Å; L247-F267 HydrophobicContact CD2-CD2 3.87Å; L247-F267 HydrophobicContact CD2-CE2 3.63Å; L247-C270 HydrophobicContact CD1-CB 4Å; L247-C270 HydrophobicContact CD2-CB 4.15Å; L247-M274 HydrophobicContact CD1-CB 4.22Å; L247-M274 HydrophobicContact CD1-SD 3.82Å; L247-L275 HydrophobicContact CB-CD1 3.7Å; L247-L275 HydrophobicContact CD1-CD1 4.06Å; L247-L275 HydrophobicContact CD1-CG 4.2Å
248	R	95.7	Very high	95.8	Very high	67 Å²	67	23.7 Å²	23.7	25%	0.253	11%	0.113	S	C	.	.	H	α-helix	trans	-63.8	-29.8	175.7	-65.6	170.2	-162.8	-82.6	3.9	111.8	D244 N252 L275	D244-R248 VanDerWaalsContact O-CB 3.29Å; D244-R248 WeakPolarHBondContact O-CB 3.19Å; D244-R248 WeakPolarHBondContact O-CD 3.36Å; D244-R248 WeakPolarHBondContact O-CG 3.27Å; D244-R248 PolarHBondContact O-N 3.14Å; D244-R248 IonicContact OD2-CZ 3.57Å; D244-R248 IonicContact OD2-NE 2.83Å; D244-R248 PolarHBondContact OD2-NE 2.83Å; D244-R248 IonicContact OD2-NH2 3.44Å; D244-R248 PolarHBondContact OD2-NH2 3.49Å; R248-N252 PolarHBondContact O-N 3.4Å; R248-N252 PolarHBondContact O-ND2 2.75Å; R248-L275 HydrophobicContact CG-CD1 4.38Å; R248-L275 HydrophobicContact CG-CD2 4.34Å; R248-L275 VanDerWaalsContact CZ-CD2 3.42Å
249	G	96.9	Very high	96	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-59.6	168.2	0	0	0	0	0	112.3	M208 P211 T212 E245 I246 L247 L251 N252	M208-G249 CarbonylContact O-C 3.57Å; P211-G249 WeakPolarHBondContact CB-O 3.49Å; T212-G249 WeakPolarHBondContact OG1-CA 3.5Å; E245-G249 PolarHBondContact O-N 3.24Å; I246-G249 WeakPolarHBondContact O-CA 3.38Å; I246-G249 PolarHBondContact O-N 3.33Å; L247-G249 PolarHBondContact O-N 3.02Å; G249-L251 VanDerWaalsContact C-N 3.3Å; G249-L251 PolarHBondContact O-N 2.99Å; G249-N252 WeakPolarHBondContact O-CB 3.49Å; G249-N252 PolarHBondContact O-N 2.81Å; G249-N252 VanDerWaalsContact O-N 3.1Å
250	L	98	Very high	96.2	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-61.3	-36.7	179	-65.1	173.7	0	0	0	112.5	M208 F225 I246 L247 N252 C253 I256 F267	M208-L250 HydrophobicContact CB-CD2 3.95Å; M208-L250 HydrophobicContact CB-CG 4.24Å; M208-L250 HydrophobicContact CG-CD2 4.07Å; M208-L250 PolarHBondContact O-N 2.84Å; M208-L250 HydrophobicContact SD-CD1 4.32Å; F225-L250 HydrophobicContact CD1-CD2 3.53Å; F225-L250 HydrophobicContact CD2-CD2 3.94Å; F225-L250 HydrophobicContact CE1-CD2 3.52Å; F225-L250 HydrophobicContact CE2-CD2 3.95Å; F225-L250 HydrophobicContact CG-CD2 3.75Å; F225-L250 HydrophobicContact CZ-CD2 3.75Å; I246-L250 PolarHBondContact O-N 3.27Å; L247-L250 PolarHBondContact O-N 2.76Å; L250-N252 PolarHBondContact O-N 3.09Å; L250-C253 VanDerWaalsContact O-CB 3.25Å; L250-C253 WeakPolarHBondContact O-CB 3.35Å; L250-C253 PolarHBondContact O-N 3.34Å; L250-I256 HydrophobicContact CB-CD1 4.12Å; L250-I256 WeakPolarHBondContact O-CD1 3.48Å; L250-F267 HydrophobicContact CB-CE2 4.14Å; L250-F267 HydrophobicContact CB-CZ 4.31Å; L250-F267 HydrophobicContact CD1-CD2 4.32Å; L250-F267 HydrophobicContact CD1-CE2 3.76Å
251	L	96.8	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.6	177.1	-68.4	168.6	0	0	0	114.5	L247 G249 C253 F267 L275 L277 L288 Y290 R293 V295	L247-L251 WeakPolarHBondContact O-CB 3.46Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 3.35Å; G249-L251 VanDerWaalsContact C-N 3.3Å; G249-L251 PolarHBondContact O-N 2.99Å; L251-C253 VanDerWaalsContact C-N 3.28Å; L251-F267 HydrophobicContact CD2-CZ 4.38Å; L251-L275 HydrophobicContact CD1-CD1 3.45Å; L251-L275 VanDerWaalsContact CD1-CD1 3.45Å; L251-L277 HydrophobicContact CD1-CD1 3.57Å; L251-L277 HydrophobicContact CD2-CD1 4.38Å; L251-L288 HydrophobicContact CD2-CD1 3.86Å; L251-Y290 HydrophobicContact CB-CD1 3.72Å; L251-Y290 HydrophobicContact CB-CE1 3.64Å; L251-Y290 HydrophobicContact CB-CE2 4.5Å; L251-Y290 HydrophobicContact CB-CG 4.2Å; L251-Y290 HydrophobicContact CD1-CD2 4.08Å; L251-Y290 HydrophobicContact CD1-CE2 3.94Å; L251-Y290 HydrophobicContact CD1-CG 4.44Å; L251-Y290 WeakPolarHBondContact O-CD1 3.48Å; L251-R293 PolarHBondContact O-NH2 2.75Å; L251-V295 HydrophobicContact CD2-CB 4.43Å; L251-V295 HydrophobicContact CD2-CG1 4.33Å; L251-V295 HydrophobicContact CD2-CG2 4.37Å
252	N	96.3	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7	166.9	-84.4	-82.6	0	0	0	113.2	P211 R215 R248 G249 L250 F560	P211-N252 HydrophobicContact CB-CB 4.04Å; R215-N252 HydrophobicContact CB-CB 4.07Å; R215-N252 HydrophobicContact CG-CB 4.36Å; R215-N252 PolarHBondContact NH1-O 3.15Å; R248-N252 PolarHBondContact O-N 3.4Å; R248-N252 PolarHBondContact O-ND2 2.75Å; G249-N252 WeakPolarHBondContact O-CB 3.49Å; G249-N252 PolarHBondContact O-N 2.81Å; G249-N252 VanDerWaalsContact O-N 3.1Å; L250-N252 PolarHBondContact O-N 3.09Å; N252-F560 PolarHBondContact ND2-O 2.97Å
253	C	97.4	Very high	96.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-73.7	173.4	166.7	-67.5	0	0	0	0	112.9	P211 L223 F225 L250 L251 I256 R293	P211-C253 WeakPolarHBondContact CG-SG 3.48Å; L223-C253 HydrophobicContact CB-CB 4.32Å; L223-C253 WeakPolarHBondContact O-CB 3.16Å; F225-C253 VanDerWaalsContact CB-SG 3.58Å; L250-C253 VanDerWaalsContact O-CB 3.25Å; L250-C253 WeakPolarHBondContact O-CB 3.35Å; L250-C253 PolarHBondContact O-N 3.34Å; L251-C253 VanDerWaalsContact C-N 3.28Å; C253-I256 HydrophobicContact CB-CG1 4.13Å; C253-R293 PolarHBondContact O-NH1 3.32Å
254	D	96	Very high	96.2	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	9%	0.086	C	C	.	.	S	Bend	trans	-110	-30.6	172	-51.1	-62.2	0	0	0	111.4	R215 L223 R293 Y296 L539 A542 H546	R215-D254 IonicContact CZ-OD1 3.13Å; R215-D254 VanDerWaalsContact CZ-OD1 3.22Å; R215-D254 IonicContact CZ-OD2 2.73Å; R215-D254 IonicContact NH1-OD1 3.29Å; R215-D254 PolarHBondContact NH1-OD1 2.75Å; R215-D254 IonicContact NH1-OD2 2.76Å; R215-D254 PolarHBondContact NH1-OD2 2.89Å; R215-D254 IonicContact NH2-OD1 2.7Å; R215-D254 PolarHBondContact NH2-OD1 3.42Å; R215-D254 IonicContact NH2-OD2 3.15Å; R215-D254 PolarHBondContact NH2-OD2 3.1Å; L223-D254 PolarHBondContact N-OD2 3.01Å; L223-D254 PolarHBondContact O-N 2.99Å; D254-R293 IonicContact OD1-NH1 3.9Å; D254-R293 PolarHBondContact OD1-NH1 3.44Å; D254-Y296 PolarHBondContact O-N 3.49Å; D254-L539 HydrophobicContact CB-CD1 4.41Å; D254-A542 HydrophobicContact CB-CB 4.19Å; D254-H546 IonicContact OD1-NE2 3.64Å; D254-H546 PolarHBondContact OD1-NE2 2.9Å; D254-H546 IonicContact OD2-NE2 3.51Å; D254-H546 PolarHBondContact OD2-NE2 2.91Å
255	L	97.8	Very high	96.2	Very high	3 Å²	3	21 Å²	21	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.4	170.1	-169.4	69.9	0	0	0	111.3	L223 G224 F225 Y296 K298 F535 D538 L539	L223-L255 PolarHBondContact O-N 3.48Å; G224-L255 WeakPolarHBondContact CA-O 3.45Å; F225-L255 PolarHBondContact N-O 3.22Å; L255-Y296 WeakPolarHBondContact CA-O 3.39Å; L255-K298 HydrophobicContact CD1-CB 4.06Å; L255-K298 HydrophobicContact CD2-CB 4.37Å; L255-K298 HydrophobicContact CG-CB 4.29Å; L255-F535 HydrophobicContact CB-CZ 4.28Å; L255-F535 HydrophobicContact CD2-CD1 4.2Å; L255-F535 HydrophobicContact CD2-CD2 3.77Å; L255-F535 HydrophobicContact CD2-CE1 3.97Å; L255-F535 HydrophobicContact CD2-CE2 3.52Å; L255-F535 HydrophobicContact CD2-CG 4.11Å; L255-F535 HydrophobicContact CD2-CZ 3.63Å; L255-F535 VanDerWaalsContact CD2-O 3.32Å; L255-F535 WeakPolarHBondContact CD2-O 3.26Å; L255-F535 HydrophobicContact CG-CE2 3.87Å; L255-F535 HydrophobicContact CG-CZ 3.97Å; L255-D538 HydrophobicContact CD1-CB 4.29Å; L255-D538 HydrophobicContact CD2-CB 3.83Å; L255-L539 HydrophobicContact CB-CB 4.41Å; L255-L539 HydrophobicContact CB-CD1 3.91Å; L255-L539 HydrophobicContact CD2-CB 4.01Å
256	I	98.6	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.1	175	-52.1	172.7	0	0	0	109.1	F225 L250 C253 F258 F267 V295 Y296 I297 K298	F225-I256 HydrophobicContact CD1-CG2 4.2Å; F225-I256 CarbonylContact O-C 3.57Å; L250-I256 HydrophobicContact CB-CD1 4.12Å; L250-I256 WeakPolarHBondContact O-CD1 3.48Å; C253-I256 HydrophobicContact CB-CG1 4.13Å; I256-F258 HydrophobicContact CB-CE2 4.36Å; I256-F258 HydrophobicContact CG2-CD2 4.39Å; I256-F258 HydrophobicContact CG2-CE2 3.51Å; I256-F258 HydrophobicContact CG2-CZ 3.66Å; I256-F267 HydrophobicContact CD1-CE1 3.78Å; I256-F267 HydrophobicContact CD1-CZ 3.57Å; I256-V295 HydrophobicContact CD1-CG1 3.61Å; I256-V295 HydrophobicContact CG1-CG1 3.94Å; I256-Y296 PolarHBondContact N-O 3.09Å; I256-I297 HydrophobicContact CB-CD1 3.93Å; I256-I297 HydrophobicContact CD1-CD1 4.09Å; I256-I297 HydrophobicContact CG1-CD1 4.38Å; I256-I297 WeakPolarHBondContact O-CA 3.38Å; I256-K298 PolarHBondContact O-N 3.02Å
257	G	98.2	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.1	-176.9	0	0	0	0	0	114.3	F225 L227 K298	F225-G257 PolarHBondContact O-N 2.8Å; L227-G257 PolarHBondContact N-O 3.32Å; G257-K298 CarbonylContact C-O 3.53Å; G257-K298 WeakPolarHBondContact CA-O 3.39Å
258	F	98	Very high	95.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.5	173.7	-60.8	-85.2	0	0	0	111.2	L227 F231 I256 A264 F267 I297 K298 I299 L300	L227-F258 HydrophobicContact CB-CD1 4.04Å; L227-F258 HydrophobicContact CB-CE1 4.15Å; L227-F258 HydrophobicContact CD2-CD1 4.09Å; L227-F258 HydrophobicContact CD2-CE1 3.88Å; F231-F258 HydrophobicContact CB-CD1 4.25Å; F231-F258 HydrophobicContact CB-CE1 3.95Å; F231-F258 HydrophobicContact CD2-CE1 4.06Å; F231-F258 HydrophobicContact CG-CE1 4.18Å; I256-F258 HydrophobicContact CB-CE2 4.36Å; I256-F258 HydrophobicContact CG2-CD2 4.39Å; I256-F258 HydrophobicContact CG2-CE2 3.51Å; I256-F258 HydrophobicContact CG2-CZ 3.66Å; F258-A264 HydrophobicContact CB-CB 4.23Å; F258-A264 HydrophobicContact CD2-CB 3.8Å; F258-A264 HydrophobicContact CG-CB 4.19Å; F258-F267 HydrophobicContact CE1-CB 4.05Å; F258-F267 HydrophobicContact CE1-CG 4.39Å; F258-F267 HydrophobicContact CE2-CB 4Å; F258-F267 AromaticContact CE2-CD1 3.94Å; F258-F267 HydrophobicContact CE2-CD1 3.94Å; F258-F267 AromaticContact CE2-CG 3.97Å; F258-F267 HydrophobicContact CE2-CG 3.97Å; F258-F267 HydrophobicContact CZ-CB 3.46Å; F258-F267 VanDerWaalsContact CZ-CB 3.46Å; F258-F267 AromaticContact CZ-CD1 3.87Å; F258-F267 HydrophobicContact CZ-CD1 3.87Å; F258-F267 AromaticContact CZ-CD2 3.86Å; F258-F267 HydrophobicContact CZ-CD2 3.86Å; F258-F267 AromaticContact CZ-CG 3.44Å; F258-F267 HydrophobicContact CZ-CG 3.44Å; F258-F267 VanDerWaalsContact CZ-CG 3.44Å; F258-I297 HydrophobicContact CD2-CG2 3.88Å; F258-I297 HydrophobicContact CE2-CG2 4Å; F258-K298 PolarHBondContact N-O 3.27Å; F258-I299 CarbonylContact O-C 3.56Å; F258-I299 WeakPolarHBondContact O-CA 3.42Å; F258-L300 PolarHBondContact O-N 2.8Å
259	H	97	Very high	95.6	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	9%	0.088	C	C	.	.	S	Bend	trans	-73.2	-31.8	178.6	-77	-39	0	0	0	115.4	F226 H228 Y263 L300 V302 M441	F226-H259 AromaticContact CE1-CE1 3.19Å; F226-H259 WeakPolarHBondContact CE1-CE1 3.41Å; F226-H259 AromaticContact CE1-CG 3.95Å; F226-H259 AromaticContact CE1-ND1 3.4Å; F226-H259 WeakPolarHBondContact CE1-ND1 3.34Å; F226-H259 AromaticContact CE1-NE2 3.67Å; F226-H259 AromaticContact CZ-CE1 3.61Å; F226-H259 AromaticContact CZ-ND1 3.41Å; F226-H259 WeakPolarHBondContact CZ-ND1 3.37Å; H228-H259 AromaticContact CG-NE2 3.89Å; H228-H259 AromaticContact ND1-CE1 3.43Å; H228-H259 PolarHBondContact ND1-CE1 2.89Å; H228-H259 AromaticContact ND1-NE2 3.02Å; H228-H259 PolarHBondContact ND1-NE2 3Å; H259-Y263 HydrophobicContact CB-CD2 4.31Å; H259-Y263 HydrophobicContact CB-CE2 4.24Å; H259-L300 PolarHBondContact ND1-O 2.7Å; H259-V302 WeakPolarHBondContact CE1-CG1 3.49Å; H259-V302 PolarHBondContact ND1-N 3.19Å; H259-M441 HydrophobicContact CB-CE 3.92Å; H259-M441 VanDerWaalsContact CD2-CB 3.41Å; H259-M441 WeakPolarHBondContact CD2-CB 3.44Å
260	T	94.5	Very high	95.4	Very high	14 Å²	14	18.6 Å²	18.6	9%	0.086	9%	0.088	C	C	.	.	S	Bend	trans	-132.9	159.9	-175.4	70.8	0	0	0	0	111.6	D262 Y263 A264	T260-D262 VanDerWaalsContact C-N 3.28Å; T260-D262 PolarHBondContact O-N 2.97Å; T260-Y263 HydrophobicContact CG2-CD2 4.26Å; T260-Y263 HydrophobicContact CG2-CE2 3.89Å; T260-Y263 PolarHBondContact O-N 3.1Å; T260-Y263 WeakPolarHBondContact OG1-CD1 3.42Å; T260-Y263 WeakPolarHBondContact OG1-CD2 3.4Å; T260-Y263 PolarHBondContact OG1-N 3.24Å; T260-A264 PolarHBondContact O-N 3.48Å
261	F	92.9	Very high	95.1	Very high	118 Å²	118	18.5 Å²	18.5	52%	0.518	9%	0.087	S	C	.	.	H	α-helix	trans	-60.8	-37	173.6	175.3	-101.9	0	0	0	111.8	A264 R265 I299	F261-A264 PolarHBondContact O-N 3.4Å; F261-R265 HydrophobicContact CE1-CB 4.34Å; F261-R265 HydrophobicContact CZ-CB 4.5Å; F261-R265 WeakPolarHBondContact O-CB 3.27Å; F261-R265 PolarHBondContact O-N 3.44Å; F261-I299 HydrophobicContact CB-CD1 4.16Å; F261-I299 HydrophobicContact CD2-CD1 3.7Å; F261-I299 HydrophobicContact CG-CD1 4.4Å
262	D	92.3	Very high	94.4	Very high	71 Å²	71	18.9 Å²	18.9	38%	0.38	9%	0.09	S	C	.	.	H	α-helix	trans	-65.7	-39.7	179.6	-71.1	-63.7	0	0	0	113.4	T260 R265 H266	T260-D262 VanDerWaalsContact C-N 3.28Å; T260-D262 PolarHBondContact O-N 2.97Å; D262-R265 PolarHBondContact O-N 3.4Å; D262-R265 IonicContact OD1-CZ 2.69Å; D262-R265 IonicContact OD1-NE 2.68Å; D262-R265 PolarHBondContact OD1-NE 2.73Å; D262-R265 VanDerWaalsContact OD1-NE 3.11Å; D262-R265 IonicContact OD1-NH2 3.2Å; D262-R265 PolarHBondContact OD1-NH2 3.34Å; D262-H266 WeakPolarHBondContact O-CB 3.32Å; D262-H266 PolarHBondContact O-CD2 3.48Å; D262-H266 PolarHBondContact O-N 3.42Å
263	Y	96.2	Very high	93.6	Very high	14 Å²	14	22.9 Å²	22.9	6%	0.055	11%	0.105	C	C	.	.	H	α-helix	trans	-66.1	-42.6	177	-53.9	-16.6	0	0	0	110.7	P230 H259 T260 H266 F267 D439 G440	P230-Y263 HydrophobicContact CB-CD1 4.14Å; P230-Y263 HydrophobicContact CB-CE1 3.76Å; P230-Y263 HydrophobicContact CB-CE2 4.24Å; H259-Y263 HydrophobicContact CB-CD2 4.31Å; H259-Y263 HydrophobicContact CB-CE2 4.24Å; T260-Y263 HydrophobicContact CG2-CD2 4.26Å; T260-Y263 HydrophobicContact CG2-CE2 3.89Å; T260-Y263 PolarHBondContact O-N 3.1Å; T260-Y263 WeakPolarHBondContact OG1-CD1 3.42Å; T260-Y263 WeakPolarHBondContact OG1-CD2 3.4Å; T260-Y263 PolarHBondContact OG1-N 3.24Å; Y263-H266 PolarHBondContact O-N 2.96Å; Y263-F267 PolarHBondContact O-N 3.28Å; Y263-D439 PolarHBondContact OH-O 2.89Å; Y263-D439 VanDerWaalsContact OH-O 3.1Å; Y263-G440 WeakPolarHBondContact CE2-O 3.4Å
264	A	95.1	Very high	92.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-45	173.6	0	0	0	0	0	112.3	F258 T260 F261 H266 F267 L268 I297 I299	F258-A264 HydrophobicContact CB-CB 4.23Å; F258-A264 HydrophobicContact CD2-CB 3.8Å; F258-A264 HydrophobicContact CG-CB 4.19Å; T260-A264 PolarHBondContact O-N 3.48Å; F261-A264 PolarHBondContact O-N 3.4Å; A264-H266 VanDerWaalsContact C-N 3.33Å; A264-H266 PolarHBondContact O-N 3.19Å; A264-F267 PolarHBondContact O-N 2.83Å; A264-L268 WeakPolarHBondContact O-CB 3.46Å; A264-L268 VanDerWaalsContact O-CG 3.22Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 2.71Å; A264-I297 HydrophobicContact CB-CG2 3.84Å; A264-I299 HydrophobicContact CB-CD1 3.89Å; A264-I299 HydrophobicContact CB-CG1 3.59Å
265	R	93.3	Very high	92.4	Very high	101 Å²	101	25.4 Å²	25.4	38%	0.381	12%	0.118	S	C	.	.	H	α-helix	trans	-61.2	-38.4	176	-179.5	179.8	65	85	-3.3	112.1	F261 D262 S269	F261-R265 HydrophobicContact CE1-CB 4.34Å; F261-R265 HydrophobicContact CZ-CB 4.5Å; F261-R265 WeakPolarHBondContact O-CB 3.27Å; F261-R265 PolarHBondContact O-N 3.44Å; D262-R265 PolarHBondContact O-N 3.4Å; D262-R265 IonicContact OD1-CZ 2.69Å; D262-R265 IonicContact OD1-NE 2.68Å; D262-R265 PolarHBondContact OD1-NE 2.73Å; D262-R265 VanDerWaalsContact OD1-NE 3.11Å; D262-R265 IonicContact OD1-NH2 3.2Å; D262-R265 PolarHBondContact OD1-NH2 3.34Å; R265-S269 VanDerWaalsContact O-CB 3.32Å; R265-S269 WeakPolarHBondContact O-CB 3.36Å; R265-S269 PolarHBondContact O-N 3.47Å
266	H	94.9	Very high	91.2	Very high	24 Å²	24	27.4 Å²	27.4	11%	0.111	14%	0.14	C	C	.	.	H	α-helix	trans	-68.8	-41.4	175.1	-71.1	-35.6	0	0	0	112.3	Y158 F231 D262 Y263 A264 S269 C270	Y158-H266 PolarHBondContact OH-CD2 3.2Å; Y158-H266 PolarHBondContact OH-NE2 2.69Å; F231-H266 HydrophobicContact CD1-CB 3.98Å; F231-H266 PolarHBondContact O-CD2 3.14Å; D262-H266 WeakPolarHBondContact O-CB 3.32Å; D262-H266 PolarHBondContact O-CD2 3.48Å; D262-H266 PolarHBondContact O-N 3.42Å; Y263-H266 PolarHBondContact O-N 2.96Å; A264-H266 VanDerWaalsContact C-N 3.33Å; A264-H266 PolarHBondContact O-N 3.19Å; H266-S269 WeakPolarHBondContact O-CB 3.35Å; H266-S269 PolarHBondContact O-N 2.71Å; H266-C270 PolarHBondContact O-N 2.98Å; H266-C270 PolarHBondContact O-SG 3.5Å
267	F	96.9	Very high	90.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-49	172	174.3	-99.7	0	0	0	111.8	F231 L247 L250 L251 I256 F258 Y263 A264 S269 C270 C271 L288 I297	F231-F267 HydrophobicContact CD1-CB 3.95Å; F231-F267 HydrophobicContact CD2-CB 4.44Å; F231-F267 HydrophobicContact CD2-CD2 4.38Å; F231-F267 HydrophobicContact CE1-CB 4.12Å; F231-F267 HydrophobicContact CE1-CD2 4.44Å; F231-F267 AromaticContact CE2-CD2 3.9Å; F231-F267 HydrophobicContact CE2-CD2 3.9Å; F231-F267 HydrophobicContact CG-CB 4.13Å; F231-F267 HydrophobicContact CZ-CB 4.42Å; F231-F267 AromaticContact CZ-CD2 3.94Å; F231-F267 HydrophobicContact CZ-CD2 3.94Å; L247-F267 HydrophobicContact CD2-CD2 3.87Å; L247-F267 HydrophobicContact CD2-CE2 3.63Å; L250-F267 HydrophobicContact CB-CE2 4.14Å; L250-F267 HydrophobicContact CB-CZ 4.31Å; L250-F267 HydrophobicContact CD1-CD2 4.32Å; L250-F267 HydrophobicContact CD1-CE2 3.76Å; L251-F267 HydrophobicContact CD2-CZ 4.38Å; I256-F267 HydrophobicContact CD1-CE1 3.78Å; I256-F267 HydrophobicContact CD1-CZ 3.57Å; F258-F267 HydrophobicContact CE1-CB 4.05Å; F258-F267 HydrophobicContact CE1-CG 4.39Å; F258-F267 HydrophobicContact CE2-CB 4Å; F258-F267 AromaticContact CE2-CD1 3.94Å; F258-F267 HydrophobicContact CE2-CD1 3.94Å; F258-F267 AromaticContact CE2-CG 3.97Å; F258-F267 HydrophobicContact CE2-CG 3.97Å; F258-F267 HydrophobicContact CZ-CB 3.46Å; F258-F267 VanDerWaalsContact CZ-CB 3.46Å; F258-F267 AromaticContact CZ-CD1 3.87Å; F258-F267 HydrophobicContact CZ-CD1 3.87Å; F258-F267 AromaticContact CZ-CD2 3.86Å; F258-F267 HydrophobicContact CZ-CD2 3.86Å; F258-F267 AromaticContact CZ-CG 3.44Å; F258-F267 HydrophobicContact CZ-CG 3.44Å; F258-F267 VanDerWaalsContact CZ-CG 3.44Å; Y263-F267 PolarHBondContact O-N 3.28Å; A264-F267 PolarHBondContact O-N 2.83Å; F267-S269 VanDerWaalsContact C-N 3.32Å; F267-S269 PolarHBondContact O-N 2.95Å; F267-C270 WeakPolarHBondContact O-CB 3.09Å; F267-C270 PolarHBondContact O-N 3Å; F267-C271 VanDerWaalsContact CZ-SG 3.55Å; F267-C271 PolarHBondContact O-N 3.1Å; F267-L288 HydrophobicContact CE1-CD1 3.99Å; F267-I297 HydrophobicContact CD1-CD1 4.03Å; F267-I297 HydrophobicContact CE1-CD1 3.73Å
268	L	91.7	Very high	89.3	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-40.8	176	-70.8	168.2	0	0	0	112.4	A264 C270 C271 S272 Y279 I286 L288 I297	A264-L268 WeakPolarHBondContact O-CB 3.46Å; A264-L268 VanDerWaalsContact O-CG 3.22Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 2.71Å; L268-C270 VanDerWaalsContact C-N 3.33Å; L268-C270 PolarHBondContact O-N 2.85Å; L268-C271 PolarHBondContact O-N 3Å; L268-S272 WeakPolarHBondContact O-CB 3.44Å; L268-S272 PolarHBondContact O-N 3.42Å; L268-Y279 HydrophobicContact CB-CD1 3.89Å; L268-Y279 HydrophobicContact CB-CE1 3.81Å; L268-Y279 HydrophobicContact CB-CG 4.39Å; L268-Y279 HydrophobicContact CD1-CD2 4.13Å; L268-Y279 HydrophobicContact CD1-CE2 4.24Å; L268-Y279 HydrophobicContact CD1-CG 4.36Å; L268-Y279 HydrophobicContact CD2-CD1 3.92Å; L268-Y279 HydrophobicContact CD2-CD2 4.29Å; L268-Y279 HydrophobicContact CD2-CG 3.72Å; L268-Y279 HydrophobicContact CG-CD1 4.36Å; L268-Y279 HydrophobicContact CG-CG 4.38Å; L268-I286 HydrophobicContact CD1-CD1 4.48Å; L268-I286 HydrophobicContact CD1-CG2 3.85Å; L268-I286 HydrophobicContact CD2-CG2 4.24Å; L268-L288 HydrophobicContact CD2-CD1 3.97Å; L268-L288 HydrophobicContact CD2-CD2 4.06Å; L268-L288 HydrophobicContact CD2-CG 3.93Å; L268-I297 HydrophobicContact CD2-CG1 3.99Å
269	S	88.7	Confident	88.5	Confident	33 Å²	33	37 Å²	37	23%	0.231	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-38.2	173	176.4	0	0	0	0	112.5	S234 R265 H266 F267 R273	S234-S269 PolarHBondContact OG-OG 3.12Å; R265-S269 VanDerWaalsContact O-CB 3.32Å; R265-S269 WeakPolarHBondContact O-CB 3.36Å; R265-S269 PolarHBondContact O-N 3.47Å; H266-S269 WeakPolarHBondContact O-CB 3.35Å; H266-S269 PolarHBondContact O-N 2.71Å; F267-S269 VanDerWaalsContact C-N 3.32Å; F267-S269 PolarHBondContact O-N 2.95Å; S269-R273 WeakPolarHBondContact O-CB 3.36Å; S269-R273 WeakPolarHBondContact O-CG 3.32Å; S269-R273 PolarHBondContact O-N 3.46Å
270	C	92.7	Very high	87.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-44.6	176.2	-62.7	0	0	0	0	111.7	F231 S234 Y237 L247 H266 F267 L268 S272 R273 M274	F231-C270 HydrophobicContact CE1-CB 4.31Å; S234-C270 VanDerWaalsContact CA-SG 3.51Å; S234-C270 VanDerWaalsContact CB-SG 3.59Å; Y237-C270 HydrophobicContact CD1-CB 3.99Å; Y237-C270 HydrophobicContact CE1-CB 4.41Å; L247-C270 HydrophobicContact CD1-CB 4Å; L247-C270 HydrophobicContact CD2-CB 4.15Å; H266-C270 PolarHBondContact O-N 2.98Å; H266-C270 PolarHBondContact O-SG 3.5Å; F267-C270 WeakPolarHBondContact O-CB 3.09Å; F267-C270 PolarHBondContact O-N 3Å; L268-C270 VanDerWaalsContact C-N 3.33Å; L268-C270 PolarHBondContact O-N 2.85Å; C270-S272 VanDerWaalsContact C-N 3.32Å; C270-S272 PolarHBondContact O-N 2.99Å; C270-R273 PolarHBondContact O-N 2.94Å; C270-M274 HydrophobicContact CB-SD 4.25Å; C270-M274 VanDerWaalsContact O-CB 3.26Å; C270-M274 WeakPolarHBondContact O-CB 3.35Å; C270-M274 WeakPolarHBondContact O-CG 3.47Å; C270-M274 PolarHBondContact O-N 3.18Å
271	C	91.9	Very high	86.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-41.6	173.6	-68.7	0	0	0	0	112.4	F267 L268 L275 G276 L277 L288	F267-C271 VanDerWaalsContact CZ-SG 3.55Å; F267-C271 PolarHBondContact O-N 3.1Å; L268-C271 PolarHBondContact O-N 3Å; C271-L275 CarbonylContact O-C 3.46Å; C271-L275 WeakPolarHBondContact O-CA 3.28Å; C271-L275 WeakPolarHBondContact O-CB 3.41Å; C271-L275 PolarHBondContact O-N 3.12Å; C271-L275 VanDerWaalsContact O-N 3.12Å; C271-G276 PolarHBondContact O-N 3.16Å; C271-L277 HydrophobicContact CB-CB 4.34Å; C271-L277 HydrophobicContact CB-CD1 4.37Å; C271-L277 PolarHBondContact O-N 3.28Å; C271-L277 VanDerWaalsContact O-N 3.15Å; C271-L288 HydrophobicContact CB-CD2 4Å
272	S	83.1	Confident	85.7	Confident	8 Å²	8	45.6 Å²	45.6	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-70.2	-44.2	179.5	-168.9	0	0	0	0	112.6	L268 C270 G276 L277 K720	L268-S272 WeakPolarHBondContact O-CB 3.44Å; L268-S272 PolarHBondContact O-N 3.42Å; C270-S272 VanDerWaalsContact C-N 3.32Å; C270-S272 PolarHBondContact O-N 2.99Å; S272-G276 WeakPolarHBondContact O-CA 3.29Å; S272-G276 PolarHBondContact O-N 2.95Å; S272-L277 WeakPolarHBondContact CA-O 3.35Å; S272-L277 WeakPolarHBondContact CB-O 3.46Å; S272-K720 PolarHBondContact OG-NZ 2.79Å
273	R	78	Confident	84.7	Confident	83 Å²	83	53.2 Å²	53.2	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-76.4	-44.3	-179.3	-68	176.5	77.9	-160.9	4.6	113.5	S234 E235 S269 C270	S234-R273 PolarHBondContact OG-NH1 3.1Å; E235-R273 IonicContact OE1-CZ 2.93Å; E235-R273 VanDerWaalsContact OE1-CZ 3.26Å; E235-R273 IonicContact OE1-NH1 3.2Å; E235-R273 PolarHBondContact OE1-NH1 2.76Å; E235-R273 IonicContact OE1-NH2 3.16Å; E235-R273 PolarHBondContact OE1-NH2 3.4Å; S269-R273 WeakPolarHBondContact O-CB 3.36Å; S269-R273 WeakPolarHBondContact O-CG 3.32Å; S269-R273 PolarHBondContact O-N 3.46Å; C270-R273 PolarHBondContact O-N 2.94Å
274	M	84.2	Confident	83.8	Confident	29 Å²	29	56 Å²	56	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-90.6	-28.2	-172	-57.9	175	176.7	0	0	113.9	Y237 R238 R243 L247 C270	Y237-M274 HydrophobicContact CD1-CE 3.77Å; Y237-M274 HydrophobicContact CD1-SD 3.79Å; Y237-M274 HydrophobicContact CE1-SD 4.02Å; R238-M274 HydrophobicContact CB-CE 3.46Å; R238-M274 VanDerWaalsContact CB-CE 3.46Å; R243-M274 HydrophobicContact CB-SD 4.17Å; R243-M274 HydrophobicContact CG-SD 4.07Å; L247-M274 HydrophobicContact CD1-CB 4.22Å; L247-M274 HydrophobicContact CD1-SD 3.82Å; C270-M274 HydrophobicContact CB-SD 4.25Å; C270-M274 VanDerWaalsContact O-CB 3.26Å; C270-M274 WeakPolarHBondContact O-CB 3.35Å; C270-M274 WeakPolarHBondContact O-CG 3.47Å; C270-M274 PolarHBondContact O-N 3.18Å
275	L	84.1	Confident	83.3	Confident	28 Å²	28	58 Å²	58	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-118	0.2	-174.1	-54.7	179.5	0	0	0	113.2	L247 R248 L251 C271 L277	L247-L275 HydrophobicContact CB-CD1 3.7Å; L247-L275 HydrophobicContact CD1-CD1 4.06Å; L247-L275 HydrophobicContact CD1-CG 4.2Å; R248-L275 HydrophobicContact CG-CD1 4.38Å; R248-L275 HydrophobicContact CG-CD2 4.34Å; R248-L275 VanDerWaalsContact CZ-CD2 3.42Å; L251-L275 HydrophobicContact CD1-CD1 3.45Å; L251-L275 VanDerWaalsContact CD1-CD1 3.45Å; C271-L275 CarbonylContact O-C 3.46Å; C271-L275 WeakPolarHBondContact O-CA 3.28Å; C271-L275 WeakPolarHBondContact O-CB 3.41Å; C271-L275 PolarHBondContact O-N 3.12Å; C271-L275 VanDerWaalsContact O-N 3.12Å; L275-L277 HydrophobicContact CB-CD1 3.96Å; L275-L277 HydrophobicContact CB-CG 3.85Å; L275-L277 HydrophobicContact CD1-CD1 4.15Å; L275-L277 PolarHBondContact O-N 3.06Å
276	G	73.8	Confident	83.2	Confident	46 Å²	46	54.7 Å²	54.7	47%	0.474	29%	0.287	S	S	.	.			trans	66.5	19.7	-178.6	0	0	0	0	0	114.5	C271 S272	C271-G276 PolarHBondContact O-N 3.16Å; S272-G276 WeakPolarHBondContact O-CA 3.29Å; S272-G276 PolarHBondContact O-N 2.95Å
277	L	82.4	Confident	83	Confident	24 Å²	24	54 Å²	54	13%	0.126	29%	0.286	C	S	.	.			trans	-89.8	119.8	-172.5	-58.7	177.3	0	0	0	112.3	L251 C271 S272 L275 L288 Y290	L251-L277 HydrophobicContact CD1-CD1 3.57Å; L251-L277 HydrophobicContact CD2-CD1 4.38Å; C271-L277 HydrophobicContact CB-CB 4.34Å; C271-L277 HydrophobicContact CB-CD1 4.37Å; C271-L277 PolarHBondContact O-N 3.28Å; C271-L277 VanDerWaalsContact O-N 3.15Å; S272-L277 WeakPolarHBondContact CA-O 3.35Å; S272-L277 WeakPolarHBondContact CB-O 3.46Å; L275-L277 HydrophobicContact CB-CD1 3.96Å; L275-L277 HydrophobicContact CB-CG 3.85Å; L275-L277 HydrophobicContact CD1-CD1 4.15Å; L275-L277 PolarHBondContact O-N 3.06Å; L277-L288 HydrophobicContact CB-CD2 3.9Å; L277-Y290 HydrophobicContact CD1-CD2 3.73Å; L277-Y290 HydrophobicContact CD1-CE2 4.22Å; L277-Y290 HydrophobicContact CD2-CD2 4.07Å
278	D	73	Confident	82.7	Confident	74 Å²	74	54 Å²	54	40%	0.396	29%	0.286	S	S	.	.			trans	-76.5	150.8	168.4	-66.8	-36.2	0	0	0	111.1	R781	D278-R781 IonicContact OD2-NH1 2.77Å
279	Y	82.7	Confident	82.3	Confident	102 Å²	102	58 Å²	58	40%	0.4	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.3	176.3	62.6	-93.4	0	0	0	110.8	L268 I286 G287	L268-Y279 HydrophobicContact CB-CD1 3.89Å; L268-Y279 HydrophobicContact CB-CE1 3.81Å; L268-Y279 HydrophobicContact CB-CG 4.39Å; L268-Y279 HydrophobicContact CD1-CD2 4.13Å; L268-Y279 HydrophobicContact CD1-CE2 4.24Å; L268-Y279 HydrophobicContact CD1-CG 4.36Å; L268-Y279 HydrophobicContact CD2-CD1 3.92Å; L268-Y279 HydrophobicContact CD2-CD2 4.29Å; L268-Y279 HydrophobicContact CD2-CG 3.72Å; L268-Y279 HydrophobicContact CG-CD1 4.36Å; L268-Y279 HydrophobicContact CG-CG 4.38Å; Y279-I286 HydrophobicContact CD2-CG2 4.15Å; Y279-G287 WeakPolarHBondContact CA-O 3.43Å
280	E	77.7	Confident	82.3	Confident	99 Å²	99	56.6 Å²	56.6	46%	0.463	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148	-174.2	-65.8	177.6	172.8	0	0	111.3	K282 I286 G287	E280-K282 HydrophobicContact CB-CG 4.45Å; E280-K282 PolarHBondContact O-N 3.47Å; E280-K282 WeakPolarHBondContact OE2-CE 3.29Å; E280-K282 IonicContact OE2-NZ 3.73Å; E280-K282 PolarHBondContact OE2-NZ 2.89Å; E280-I286 WeakPolarHBondContact O-CA 3.32Å; E280-G287 PolarHBondContact N-O 3.42Å; E280-G287 PolarHBondContact O-N 3.24Å
281	S	78.2	Confident	82	Confident	91 Å²	91	59.6 Å²	59.6	64%	0.636	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	88.5	173.2	-164.2	0	0	0	0	110.5	H285	S281-H285 CarbonylContact C-O 3.58Å; S281-H285 WeakPolarHBondContact CA-O 3.46Å
282	K	68.5	Low	81.5	Confident	125 Å²	125	59.9 Å²	59.9	54%	0.543	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	110.5	-178.6	-83	167.7	162.7	150.4	0	110.2	E280 G284 H285	E280-K282 HydrophobicContact CB-CG 4.45Å; E280-K282 PolarHBondContact O-N 3.47Å; E280-K282 WeakPolarHBondContact OE2-CE 3.29Å; E280-K282 IonicContact OE2-NZ 3.73Å; E280-K282 PolarHBondContact OE2-NZ 2.89Å; K282-G284 VanDerWaalsContact C-N 3.34Å; K282-G284 PolarHBondContact O-N 2.86Å; K282-H285 PolarHBondContact N-O 2.98Å; K282-H285 PolarHBondContact O-N 3.38Å; K282-H285 VanDerWaalsContact O-N 3.12Å
283	R	72.1	Confident	81.8	Confident	232 Å²	232	60 Å²	60	88%	0.875	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	47.3	179.2	-57.2	178.8	179.9	170.4	0.1	112.5	H285	R283-H285 VanDerWaalsContact C-N 3.25Å; R283-H285 PolarHBondContact O-N 3.18Å; R283-H285 PolarHBondContact O-ND1 3.12Å
284	G	77.1	Confident	82.4	Confident	71 Å²	71	57.7 Å²	57.7	73%	0.732	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	7.6	179.5	0	0	0	0	0	115.5	K282	K282-G284 VanDerWaalsContact C-N 3.34Å; K282-G284 PolarHBondContact O-N 2.86Å
285	H	84.2	Confident	82.9	Confident	45 Å²	45	56.3 Å²	56.3	21%	0.208	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.6	176.7	-61	52.2	0	0	0	108.1	S281 K282 R283 Y296 D538 R541	S281-H285 CarbonylContact C-O 3.58Å; S281-H285 WeakPolarHBondContact CA-O 3.46Å; K282-H285 PolarHBondContact N-O 2.98Å; K282-H285 PolarHBondContact O-N 3.38Å; K282-H285 VanDerWaalsContact O-N 3.12Å; R283-H285 VanDerWaalsContact C-N 3.25Å; R283-H285 PolarHBondContact O-N 3.18Å; R283-H285 PolarHBondContact O-ND1 3.12Å; H285-Y296 HydrophobicContact CB-CD1 4.15Å; H285-Y296 HydrophobicContact CB-CE1 4.32Å; H285-D538 IonicContact NE2-OD1 3.8Å; H285-R541 PolarHBondContact CE1-NH1 2.98Å; H285-R541 PolarHBondContact NE2-NH1 3.32Å
286	I	90.5	Very high	83.5	Confident	31 Å²	31	57 Å²	57	16%	0.159	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.7	175.4	-56.6	169.5	0	0	0	108	L268 Y279 E280 Y296 I297 I299	L268-I286 HydrophobicContact CD1-CD1 4.48Å; L268-I286 HydrophobicContact CD1-CG2 3.85Å; L268-I286 HydrophobicContact CD2-CG2 4.24Å; Y279-I286 HydrophobicContact CD2-CG2 4.15Å; E280-I286 WeakPolarHBondContact O-CA 3.32Å; I286-Y296 WeakPolarHBondContact O-CA 3.45Å; I286-I297 HydrophobicContact CB-CB 4.3Å; I286-I297 HydrophobicContact CG2-CB 4.43Å; I286-I297 HydrophobicContact CG2-CG1 4.43Å; I286-I297 PolarHBondContact O-N 3.25Å; I286-I299 HydrophobicContact CD1-CD1 4.41Å
287	G	91	Very high	84.6	Confident	8 Å²	8	55.4 Å²	55.4	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141	175.9	0	0	0	0	0	112.3	Y279 E280 V295	Y279-G287 WeakPolarHBondContact CA-O 3.43Å; E280-G287 PolarHBondContact N-O 3.42Å; E280-G287 PolarHBondContact O-N 3.24Å; G287-V295 WeakPolarHBondContact CA-O 3.4Å
288	L	90.2	Very high	85.3	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140	164.4	-66.3	144.4	0	0	0	108.1	L251 F267 L268 C271 L277 T294 V295 I297	L251-L288 HydrophobicContact CD2-CD1 3.86Å; F267-L288 HydrophobicContact CE1-CD1 3.99Å; L268-L288 HydrophobicContact CD2-CD1 3.97Å; L268-L288 HydrophobicContact CD2-CD2 4.06Å; L268-L288 HydrophobicContact CD2-CG 3.93Å; C271-L288 HydrophobicContact CB-CD2 4Å; L277-L288 HydrophobicContact CB-CD2 3.9Å; L288-T294 CarbonylContact O-C 3.57Å; L288-T294 WeakPolarHBondContact O-CA 3.23Å; L288-V295 PolarHBondContact N-O 3.29Å; L288-V295 PolarHBondContact O-N 3.14Å; L288-I297 HydrophobicContact CD1-CD1 4.13Å; L288-I297 HydrophobicContact CD1-CG1 4.48Å
289	D	85.3	Confident	86.3	Confident	88 Å²	88	54.9 Å²	54.9	47%	0.471	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.2	157.7	-162.1	-69.1	0	0	0	108.8	F291 G292	D289-F291 PolarHBondContact OD1-N 2.99Å; D289-G292 WeakPolarHBondContact OD1-CA 3.37Å; D289-G292 PolarHBondContact OD1-N 3.07Å
290	Y	88.7	Confident	86.9	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	94.1	174.3	-172.4	-118.3	0	0	0	109.3	L251 L277 R293 R561	L251-Y290 HydrophobicContact CB-CD1 3.72Å; L251-Y290 HydrophobicContact CB-CE1 3.64Å; L251-Y290 HydrophobicContact CB-CE2 4.5Å; L251-Y290 HydrophobicContact CB-CG 4.2Å; L251-Y290 HydrophobicContact CD1-CD2 4.08Å; L251-Y290 HydrophobicContact CD1-CE2 3.94Å; L251-Y290 HydrophobicContact CD1-CG 4.44Å; L251-Y290 WeakPolarHBondContact O-CD1 3.48Å; L277-Y290 HydrophobicContact CD1-CD2 3.73Å; L277-Y290 HydrophobicContact CD1-CE2 4.22Å; L277-Y290 HydrophobicContact CD2-CD2 4.07Å; Y290-R293 PolarHBondContact N-O 3.33Å; Y290-R293 PolarHBondContact O-N 3.5Å; Y290-R561 HydrophobicContact CE1-CB 3.89Å
291	F	86.2	Confident	87.7	Confident	64 Å²	64	47.2 Å²	47.2	28%	0.281	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	44	-178.1	-63.8	-95.6	0	0	0	113.1	D289 R293 I554 R561 L563 S564	D289-F291 PolarHBondContact OD1-N 2.99Å; F291-R293 VanDerWaalsContact C-N 3.28Å; F291-R293 PolarHBondContact O-N 2.68Å; F291-I554 HydrophobicContact CD1-CD1 4.43Å; F291-R561 HydrophobicContact CD2-CG 4.41Å; F291-R561 VanDerWaalsContact CE2-CD 3.47Å; F291-L563 HydrophobicContact CB-CD1 4.21Å; F291-L563 WeakPolarHBondContact O-CA 3.34Å; F291-S564 PolarHBondContact O-N 2.94Å
292	G	80.8	Confident	88.6	Confident	6 Å²	6	43.1 Å²	43.1	6%	0.062	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	1.6	175.3	0	0	0	0	0	114.6	D289 K549	D289-G292 WeakPolarHBondContact OD1-CA 3.37Å; D289-G292 PolarHBondContact OD1-N 3.07Å; G292-K549 PolarHBondContact O-NZ 3.37Å
293	R	89.3	Confident	89.8	Confident	9 Å²	9	37.2 Å²	37.2	3%	0.034	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138.2	163.1	-62.7	-169.2	-61.5	113.4	12.3	109.4	L251 C253 D254 Y290 F291 V562 S564	L251-R293 PolarHBondContact O-NH2 2.75Å; C253-R293 PolarHBondContact O-NH1 3.32Å; D254-R293 IonicContact OD1-NH1 3.9Å; D254-R293 PolarHBondContact OD1-NH1 3.44Å; Y290-R293 PolarHBondContact N-O 3.33Å; Y290-R293 PolarHBondContact O-N 3.5Å; F291-R293 VanDerWaalsContact C-N 3.28Å; F291-R293 PolarHBondContact O-N 2.68Å; R293-V562 PolarHBondContact NE-O 3.28Å; R293-S564 VanDerWaalsContact CG-CB 3.43Å
294	T	90.5	Very high	90.9	Very high	36 Å²	36	26.3 Å²	26.3	22%	0.221	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.5	166.2	-49.2	0	0	0	0	108.8	L288 Y296	L288-T294 CarbonylContact O-C 3.57Å; L288-T294 WeakPolarHBondContact O-CA 3.23Å; T294-Y296 HydrophobicContact CG2-CD1 4.17Å; T294-Y296 HydrophobicContact CG2-CD2 4.06Å; T294-Y296 HydrophobicContact CG2-CE1 3.84Å; T294-Y296 HydrophobicContact CG2-CE2 3.72Å; T294-Y296 HydrophobicContact CG2-CG 4.29Å
295	V	94.7	Very high	91.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	110	170.2	-176.2	0	0	0	0	107.4	L251 I256 G287 L288	L251-V295 HydrophobicContact CD2-CB 4.43Å; L251-V295 HydrophobicContact CD2-CG1 4.33Å; L251-V295 HydrophobicContact CD2-CG2 4.37Å; I256-V295 HydrophobicContact CD1-CG1 3.61Å; I256-V295 HydrophobicContact CG1-CG1 3.94Å; G287-V295 WeakPolarHBondContact CA-O 3.4Å; L288-V295 PolarHBondContact N-O 3.29Å; L288-V295 PolarHBondContact O-N 3.14Å
296	Y	96.3	Very high	92.1	Very high	43 Å²	43	23.4 Å²	23.4	17%	0.169	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	144.4	-175.5	-70.3	-86.4	0	0	0	111.6	D254 L255 I256 H285 I286 T294 A542	D254-Y296 PolarHBondContact O-N 3.49Å; L255-Y296 WeakPolarHBondContact CA-O 3.39Å; I256-Y296 PolarHBondContact N-O 3.09Å; H285-Y296 HydrophobicContact CB-CD1 4.15Å; H285-Y296 HydrophobicContact CB-CE1 4.32Å; I286-Y296 WeakPolarHBondContact O-CA 3.45Å; T294-Y296 HydrophobicContact CG2-CD1 4.17Å; T294-Y296 HydrophobicContact CG2-CD2 4.06Å; T294-Y296 HydrophobicContact CG2-CE1 3.84Å; T294-Y296 HydrophobicContact CG2-CE2 3.72Å; T294-Y296 HydrophobicContact CG2-CG 4.29Å; Y296-A542 HydrophobicContact CD2-CB 3.57Å; Y296-A542 HydrophobicContact CE2-CB 4.05Å; Y296-A542 HydrophobicContact CG-CB 4.42Å
297	I	97.1	Very high	92.1	Very high	12 Å²	12	23.6 Å²	23.6	6%	0.062	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.5	176.9	-50.4	-57.2	0	0	0	110	I256 F258 A264 F267 L268 I286 L288	I256-I297 HydrophobicContact CB-CD1 3.93Å; I256-I297 HydrophobicContact CD1-CD1 4.09Å; I256-I297 HydrophobicContact CG1-CD1 4.38Å; I256-I297 WeakPolarHBondContact O-CA 3.38Å; F258-I297 HydrophobicContact CD2-CG2 3.88Å; F258-I297 HydrophobicContact CE2-CG2 4Å; A264-I297 HydrophobicContact CB-CG2 3.84Å; F267-I297 HydrophobicContact CD1-CD1 4.03Å; F267-I297 HydrophobicContact CE1-CD1 3.73Å; L268-I297 HydrophobicContact CD2-CG1 3.99Å; I286-I297 HydrophobicContact CB-CB 4.3Å; I286-I297 HydrophobicContact CG2-CB 4.43Å; I286-I297 HydrophobicContact CG2-CG1 4.43Å; I286-I297 PolarHBondContact O-N 3.25Å; L288-I297 HydrophobicContact CD1-CD1 4.13Å; L288-I297 HydrophobicContact CD1-CG1 4.48Å
298	K	96.3	Very high	92.1	Very high	29 Å²	29	25.2 Å²	25.2	13%	0.126	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.3	174.9	-178.4	62.9	163.2	-162.6	0	110.2	L255 I256 G257 F258 L300 S534 F535 D538	L255-K298 HydrophobicContact CD1-CB 4.06Å; L255-K298 HydrophobicContact CD2-CB 4.37Å; L255-K298 HydrophobicContact CG-CB 4.29Å; I256-K298 PolarHBondContact O-N 3.02Å; G257-K298 CarbonylContact C-O 3.53Å; G257-K298 WeakPolarHBondContact CA-O 3.39Å; F258-K298 PolarHBondContact N-O 3.27Å; K298-L300 HydrophobicContact CG-CB 4.15Å; K298-S534 PolarHBondContact NZ-OG 3.36Å; K298-F535 HydrophobicContact CB-CD2 4.33Å; K298-F535 HydrophobicContact CB-CE2 4.45Å; K298-F535 HydrophobicContact CG-CD2 4.14Å; K298-D538 VanDerWaalsContact CD-OD2 3.28Å; K298-D538 WeakPolarHBondContact CD-OD2 3.46Å; K298-D538 VanDerWaalsContact CE-OD2 3.29Å; K298-D538 WeakPolarHBondContact CE-OD2 3.29Å; K298-D538 IonicContact NZ-OD2 2.63Å; K298-D538 PolarHBondContact NZ-OD2 2.87Å
299	I	95.5	Very high	92.1	Very high	57 Å²	57	26 Å²	26	29%	0.292	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119	167.2	-64.3	151.6	0	0	0	107.2	F258 F261 A264 I286	F258-I299 CarbonylContact O-C 3.56Å; F258-I299 WeakPolarHBondContact O-CA 3.42Å; F261-I299 HydrophobicContact CB-CD1 4.16Å; F261-I299 HydrophobicContact CD2-CD1 3.7Å; F261-I299 HydrophobicContact CG-CD1 4.4Å; A264-I299 HydrophobicContact CB-CD1 3.89Å; A264-I299 HydrophobicContact CB-CG1 3.59Å; I286-I299 HydrophobicContact CD1-CD1 4.41Å
300	L	94.7	Very high	92.4	Very high	13 Å²	13	25 Å²	25	7%	0.068	13%	0.131	C	C	.	.			trans	-155.7	110.7	-179.6	-157.5	62	0	0	0	111.7	F226 F258 H259 K298 V302 Y530 W531	F226-L300 WeakPolarHBondContact CZ-O 3.49Å; F258-L300 PolarHBondContact O-N 2.8Å; H259-L300 PolarHBondContact ND1-O 2.7Å; K298-L300 HydrophobicContact CG-CB 4.15Å; L300-V302 PolarHBondContact O-N 2.89Å; L300-Y530 HydrophobicContact CD1-CE1 4.06Å; L300-W531 HydrophobicContact CD2-CB 4.37Å; L300-W531 HydrophobicContact CD2-CG 4.26Å; L300-W531 WeakPolarHBondContact CD2-O 3.44Å
301	P	95.4	Very high	92.5	Very high	28 Å²	28	27.8 Å²	27.8	18%	0.182	15%	0.151	C	C	.	.			trans	-55.4	135.5	166	-26.5	36.3	0	0	0	110.7	M441	P301-M441 HydrophobicContact CB-CE 3.73Å
302	V	95.7	Very high	92.8	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.024	15%	0.146	C	C	.	.			trans	-82	137.6	170.3	66.1	0	0	0	0	110.2	L88 H259 L300 M441 L443 V528 W531	L88-V302 HydrophobicContact CD1-CG2 3.6Å; L88-V302 HydrophobicContact CD2-CG2 4.08Å; H259-V302 WeakPolarHBondContact CE1-CG1 3.49Å; H259-V302 PolarHBondContact ND1-N 3.19Å; L300-V302 PolarHBondContact O-N 2.89Å; V302-M441 HydrophobicContact CG1-CB 4.36Å; V302-M441 HydrophobicContact CG1-CG 3.87Å; V302-L443 HydrophobicContact CG1-CD1 4.49Å; V302-L443 HydrophobicContact CG1-CD2 4.33Å; V302-L443 WeakPolarHBondContact O-CD2 3.44Å; V302-V528 HydrophobicContact CG2-CG2 4.36Å; V302-W531 HydrophobicContact CB-CD2 4Å; V302-W531 HydrophobicContact CB-CG 3.93Å; V302-W531 HydrophobicContact CG2-CB 4.31Å; V302-W531 HydrophobicContact CG2-CD2 3.56Å; V302-W531 HydrophobicContact CG2-CE3 3.79Å; V302-W531 HydrophobicContact CG2-CG 3.79Å; V302-W531 HydrophobicContact CG2-CZ2 4.48Å; V302-W531 HydrophobicContact CG2-CZ3 4.33Å
303	G	94.5	Very high	93.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	14%	0.144	C	C	.	.			trans	-84.3	-164.6	176.6	0	0	0	0	0	113.9	H526	G303-H526 VanDerWaalsContact CA-O 3.24Å; G303-H526 WeakPolarHBondContact CA-O 3.2Å
304	V	95.3	Very high	93.3	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	16%	0.161	C	C	.	.			trans	-117.6	156.5	167	-69.2	0	0	0	0	109.5	M306 L309 L443 Y446 K447 V450 I523 D527 V528	V304-M306 HydrophobicContact CG2-SD 4.45Å; V304-M306 PolarHBondContact O-N 3.09Å; V304-L309 HydrophobicContact CB-CD1 3.92Å; V304-L309 HydrophobicContact CG2-CD1 3.72Å; V304-L443 HydrophobicContact CG1-CB 4.02Å; V304-L443 HydrophobicContact CG1-CD1 4.27Å; V304-L443 HydrophobicContact CG1-CD2 4.16Å; V304-L443 HydrophobicContact CG1-CG 4.38Å; V304-Y446 HydrophobicContact CG1-CD1 4.2Å; V304-Y446 HydrophobicContact CG1-CG 4.45Å; V304-Y446 HydrophobicContact CG2-CD1 4.47Å; V304-K447 HydrophobicContact CG1-CG 4.05Å; V304-V450 HydrophobicContact CG2-CG2 4.19Å; V304-I523 HydrophobicContact CG2-CG2 3.78Å; V304-D527 WeakPolarHBondContact O-CB 3.38Å; V304-V528 PolarHBondContact O-N 2.86Å
305	H	94.4	Very high	93.4	Very high	36 Å²	36	30.4 Å²	30.4	17%	0.167	17%	0.17	C	C	.	.			trans	-77.1	105.9	171.7	-166.2	-42.4	0	0	0	111.2	Q91 D94 G307 R308 L309 V528	Q91-H305 HydrophobicContact CB-CB 4.42Å; Q91-H305 HydrophobicContact CG-CB 4.14Å; D94-H305 IonicContact OD2-CD2 2.69Å; D94-H305 IonicContact OD2-NE2 3.92Å; D94-H305 PolarHBondContact OD2-NE2 2.93Å; H305-G307 PolarHBondContact ND1-N 2.85Å; H305-R308 HydrophobicContact CB-CB 4.12Å; H305-R308 HydrophobicContact CB-CG 4.15Å; H305-R308 WeakPolarHBondContact CD2-CD 3.27Å; H305-R308 PolarHBondContact CD2-NE 3.12Å; H305-R308 VanDerWaalsContact CG-CD 3.49Å; H305-R308 PolarHBondContact ND1-N 2.96Å; H305-R308 PolarHBondContact O-N 3.49Å; H305-L309 PolarHBondContact O-N 3.5Å; H305-V528 HydrophobicContact CB-CG1 3.73Å
306	M	92.5	Very high	93.3	Very high	19 Å²	19	37.3 Å²	37.3	9%	0.094	21%	0.207	C	C	.	.	H	α-helix	trans	-54.3	-60.3	-179.2	-64.2	-62.6	-69.2	0	0	112.6	V304 R308 L309 E310 V450 Y520 I523 D527	V304-M306 HydrophobicContact CG2-SD 4.45Å; V304-M306 PolarHBondContact O-N 3.09Å; M306-R308 VanDerWaalsContact C-N 3.28Å; M306-R308 PolarHBondContact O-N 3.43Å; M306-R308 VanDerWaalsContact O-N 3.16Å; M306-L309 PolarHBondContact O-N 3.07Å; M306-E310 WeakPolarHBondContact O-CG 3.44Å; M306-E310 PolarHBondContact O-N 2.84Å; M306-V450 HydrophobicContact CE-CG1 4.12Å; M306-V450 HydrophobicContact CE-CG2 3.9Å; M306-V450 HydrophobicContact SD-CG1 4.33Å; M306-V450 HydrophobicContact SD-CG2 3.56Å; M306-V450 VanDerWaalsContact SD-CG2 3.56Å; M306-Y520 HydrophobicContact CE-CE2 3.61Å; M306-Y520 WeakPolarHBondContact CE-OH 3.47Å; M306-I523 HydrophobicContact SD-CG2 3.88Å; M306-D527 HydrophobicContact CG-CB 4.1Å
307	G	90.1	Very high	93.2	Very high	36 Å²	36	38.4 Å²	38.4	37%	0.371	22%	0.222	S	C	.	.	H	α-helix	trans	-58.8	-29.9	-176.2	0	0	0	0	0	115.7	H305 S311	H305-G307 PolarHBondContact ND1-N 2.85Å; G307-S311 WeakPolarHBondContact O-CB 3.44Å; G307-S311 PolarHBondContact O-N 2.84Å; G307-S311 PolarHBondContact O-OG 3.27Å
308	R	90.2	Very high	93	Very high	41 Å²	41	37.9 Å²	37.9	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-74.3	-34.5	175.8	-67.9	174.9	-176.4	-122.3	-7.1	112.5	E85 D94 H305 M306 S311 V312	E85-R308 PolarHBondContact O-NH1 2.75Å; E85-R308 IonicContact OE2-CZ 2.83Å; E85-R308 IonicContact OE2-NH1 2.71Å; E85-R308 PolarHBondContact OE2-NH1 3.4Å; E85-R308 IonicContact OE2-NH2 3.26Å; D94-R308 IonicContact OD2-CZ 3.82Å; D94-R308 IonicContact OD2-NE 3.61Å; D94-R308 PolarHBondContact OD2-NE 2.93Å; D94-R308 IonicContact OD2-NH2 3.59Å; D94-R308 PolarHBondContact OD2-NH2 2.93Å; H305-R308 HydrophobicContact CB-CB 4.12Å; H305-R308 HydrophobicContact CB-CG 4.15Å; H305-R308 WeakPolarHBondContact CD2-CD 3.27Å; H305-R308 PolarHBondContact CD2-NE 3.12Å; H305-R308 VanDerWaalsContact CG-CD 3.49Å; H305-R308 PolarHBondContact ND1-N 2.96Å; H305-R308 PolarHBondContact O-N 3.49Å; M306-R308 VanDerWaalsContact C-N 3.28Å; M306-R308 PolarHBondContact O-N 3.43Å; M306-R308 VanDerWaalsContact O-N 3.16Å; R308-S311 PolarHBondContact O-OG 3.13Å; R308-S311 VanDerWaalsContact O-OG 3.12Å; R308-V312 WeakPolarHBondContact O-CG2 3.42Å; R308-V312 PolarHBondContact O-N 3.15Å
309	L	91.5	Very high	92.7	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-42.1	172.7	-67	171.5	0	0	0	110.9	V304 H305 M306 L313 K447 V450	V304-L309 HydrophobicContact CB-CD1 3.92Å; V304-L309 HydrophobicContact CG2-CD1 3.72Å; H305-L309 PolarHBondContact O-N 3.5Å; M306-L309 PolarHBondContact O-N 3.07Å; L309-L313 VanDerWaalsContact O-CB 3.23Å; L309-L313 WeakPolarHBondContact O-CB 3.3Å; L309-L313 PolarHBondContact O-N 3.49Å; L309-K447 HydrophobicContact CD1-CG 4.11Å; L309-K447 HydrophobicContact CD2-CB 4.39Å; L309-K447 HydrophobicContact CD2-CD 4.25Å; L309-K447 HydrophobicContact CD2-CG 3.98Å; L309-V450 HydrophobicContact CB-CG1 3.84Å; L309-V450 HydrophobicContact CD1-CB 3.95Å; L309-V450 HydrophobicContact CD1-CG1 3.97Å; L309-V450 HydrophobicContact CD1-CG2 4.17Å
310	E	91.3	Very high	92.6	Very high	67 Å²	67	37.4 Å²	37.4	31%	0.313	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-41.4	176.5	-69.9	179.3	-172.1	0	0	112.4	M306 L313 S314 T455	M306-E310 WeakPolarHBondContact O-CG 3.44Å; M306-E310 PolarHBondContact O-N 2.84Å; E310-L313 PolarHBondContact O-N 3.25Å; E310-S314 WeakPolarHBondContact O-CB 3.22Å; E310-S314 PolarHBondContact O-N 2.88Å; E310-T455 HydrophobicContact CB-CG2 3.8Å; E310-T455 HydrophobicContact CG-CG2 4.14Å; E310-T455 WeakPolarHBondContact O-CG2 3.43Å
311	S	91.4	Very high	92.6	Very high	61 Å²	61	38.8 Å²	38.8	43%	0.427	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-47.4	177.9	69.8	0	0	0	0	111.8	G307 R308 L313 S314 L315	G307-S311 WeakPolarHBondContact O-CB 3.44Å; G307-S311 PolarHBondContact O-N 2.84Å; G307-S311 PolarHBondContact O-OG 3.27Å; R308-S311 PolarHBondContact O-OG 3.13Å; R308-S311 VanDerWaalsContact O-OG 3.12Å; S311-L313 VanDerWaalsContact C-N 3.28Å; S311-L313 PolarHBondContact O-N 2.85Å; S311-S314 PolarHBondContact O-N 3.23Å; S311-S314 VanDerWaalsContact O-N 3.11Å; S311-S314 PolarHBondContact O-OG 3.43Å; S311-L315 PolarHBondContact O-N 3.03Å
312	V	91.8	Very high	92.6	Very high	28 Å²	28	37.9 Å²	37.9	17%	0.17	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-37.7	174.5	173.7	0	0	0	0	111.5	R308 S314 L315 T318 R419 T423	R308-V312 WeakPolarHBondContact O-CG2 3.42Å; R308-V312 PolarHBondContact O-N 3.15Å; V312-S314 VanDerWaalsContact C-N 3.32Å; V312-S314 PolarHBondContact O-N 2.96Å; V312-L315 PolarHBondContact O-N 3.42Å; V312-T318 WeakPolarHBondContact O-CB 3.34Å; V312-T318 PolarHBondContact O-OG1 2.86Å; V312-R419 HydrophobicContact CG1-CB 4.17Å; V312-T423 HydrophobicContact CG1-CG2 4.23Å; V312-T423 WeakPolarHBondContact CG1-OG1 3.42Å
313	L	90.4	Very high	92.5	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-37.2	176	-173.3	60.3	0	0	0	111.7	L309 E310 S311 L315 T318 T423 A427 T455 N458	L309-L313 VanDerWaalsContact O-CB 3.23Å; L309-L313 WeakPolarHBondContact O-CB 3.3Å; L309-L313 PolarHBondContact O-N 3.49Å; E310-L313 PolarHBondContact O-N 3.25Å; S311-L313 VanDerWaalsContact C-N 3.28Å; S311-L313 PolarHBondContact O-N 2.85Å; L313-L315 VanDerWaalsContact C-N 3.25Å; L313-L315 PolarHBondContact O-N 3.27Å; L313-T318 HydrophobicContact CD1-CG2 4.19Å; L313-T423 HydrophobicContact CB-CG2 3.85Å; L313-T423 HydrophobicContact CD1-CG2 3.59Å; L313-T423 HydrophobicContact CG-CG2 4.3Å; L313-A427 HydrophobicContact CD1-CB 4.15Å; L313-T455 HydrophobicContact CB-CG2 4.45Å; L313-T455 HydrophobicContact CD2-CG2 4.3Å; L313-N458 PolarHBondContact O-ND2 3.4Å
314	S	90	Very high	92.5	Very high	54 Å²	54	48.3 Å²	48.3	38%	0.378	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.4	-179.8	74.7	0	0	0	0	115.9	E310 S311 V312	E310-S314 WeakPolarHBondContact O-CB 3.22Å; E310-S314 PolarHBondContact O-N 2.88Å; S311-S314 PolarHBondContact O-N 3.23Å; S311-S314 VanDerWaalsContact O-N 3.11Å; S311-S314 PolarHBondContact O-OG 3.43Å; V312-S314 VanDerWaalsContact C-N 3.32Å; V312-S314 PolarHBondContact O-N 2.96Å
315	L	92.7	Very high	92.5	Very high	81 Å²	81	48.2 Å²	48.2	42%	0.424	27%	0.274	S	S	.	.	S	Bend	trans	-71.2	137.2	178.3	-60.5	174.3	0	0	0	112	S311 V312 L313 S317 T318 A319	S311-L315 PolarHBondContact O-N 3.03Å; V312-L315 PolarHBondContact O-N 3.42Å; L313-L315 VanDerWaalsContact C-N 3.25Å; L313-L315 PolarHBondContact O-N 3.27Å; L315-S317 PolarHBondContact O-N 2.77Å; L315-T318 WeakPolarHBondContact O-CA 3.47Å; L315-T318 WeakPolarHBondContact O-CB 3.49Å; L315-T318 PolarHBondContact O-N 3.02Å; L315-A319 PolarHBondContact O-N 2.98Å
316	D	92.1	Very high	92.5	Very high	145 Å²	145	50.6 Å²	50.6	78%	0.775	29%	0.285	S	S	*	.	H	α-helix	trans	-56.8	-34.1	175.8	-70.6	-49.1	0	0	0	112.9	A319 A320	D316-A319 PolarHBondContact O-N 2.81Å; D316-A320 VanDerWaalsContact O-CB 3.28Å; D316-A320 WeakPolarHBondContact O-CB 3.29Å; D316-A320 PolarHBondContact O-N 3.09Å
317	S	93.6	Very high	92.6	Very high	67 Å²	67	55.3 Å²	55.3	47%	0.469	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-37.1	175.5	57.6	0	0	0	0	112.5	L315 K321	L315-S317 PolarHBondContact O-N 2.77Å; S317-K321 VanDerWaalsContact O-CB 3.31Å; S317-K321 WeakPolarHBondContact O-CB 3.25Å; S317-K321 PolarHBondContact O-N 2.94Å
318	T	93.6	Very high	92.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68.6	-44	172.5	-55.2	0	0	0	0	111	V312 L313 L315 K321 T322 S420 T423 A424	V312-T318 WeakPolarHBondContact O-CB 3.34Å; V312-T318 PolarHBondContact O-OG1 2.86Å; L313-T318 HydrophobicContact CD1-CG2 4.19Å; L315-T318 WeakPolarHBondContact O-CA 3.47Å; L315-T318 WeakPolarHBondContact O-CB 3.49Å; L315-T318 PolarHBondContact O-N 3.02Å; T318-K321 PolarHBondContact O-N 2.73Å; T318-T322 WeakPolarHBondContact O-CB 3.49Å; T318-T322 PolarHBondContact O-N 3.28Å; T318-T322 PolarHBondContact O-OG1 3.4Å; T318-S420 WeakPolarHBondContact OG1-CA 3.26Å; T318-S420 WeakPolarHBondContact OG1-CB 3.16Å; T318-T423 HydrophobicContact CG2-CG2 3.69Å; T318-A424 HydrophobicContact CG2-CB 4.38Å
319	A	90.5	Very high	93	Very high	14 Å²	14	57.5 Å²	57.5	12%	0.116	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-41.1	177.7	0	0	0	0	0	112.4	L315 D316 K323 A460	L315-A319 PolarHBondContact O-N 2.98Å; D316-A319 PolarHBondContact O-N 2.81Å; A319-K323 PolarHBondContact O-N 3.19Å; A319-A460 HydrophobicContact CB-CB 4.49Å
320	A	93.5	Very high	93.1	Very high	62 Å²	62	62.9 Å²	62.9	51%	0.512	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-48	173.8	0	0	0	0	0	111.7	D316 T322 K323 E324	D316-A320 VanDerWaalsContact O-CB 3.28Å; D316-A320 WeakPolarHBondContact O-CB 3.29Å; D316-A320 PolarHBondContact O-N 3.09Å; A320-T322 VanDerWaalsContact C-N 3.3Å; A320-T322 PolarHBondContact O-N 3.43Å; A320-K323 PolarHBondContact O-N 3.11Å; A320-E324 PolarHBondContact O-N 2.83Å
321	K	94.9	Very high	93.1	Very high	42 Å²	42	63.4 Å²	63.4	18%	0.183	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-32.9	178.7	-169.3	52.6	163.9	-176.1	0	112.7	S317 T318 E324 I325 E421 A424	S317-K321 VanDerWaalsContact O-CB 3.31Å; S317-K321 WeakPolarHBondContact O-CB 3.25Å; S317-K321 PolarHBondContact O-N 2.94Å; T318-K321 PolarHBondContact O-N 2.73Å; K321-E324 HydrophobicContact CD-CB 4.29Å; K321-E324 WeakPolarHBondContact CD-OE2 3.39Å; K321-E324 IonicContact NZ-OE1 3.99Å; K321-E324 PolarHBondContact NZ-OE1 3.36Å; K321-E324 IonicContact NZ-OE2 2.79Å; K321-E324 PolarHBondContact NZ-OE2 2.99Å; K321-E324 WeakPolarHBondContact O-CB 3.44Å; K321-E324 PolarHBondContact O-N 3.18Å; K321-I325 HydrophobicContact CD-CD1 4.44Å; K321-I325 HydrophobicContact CG-CD1 4.07Å; K321-I325 WeakPolarHBondContact O-CD1 3.41Å; K321-I325 VanDerWaalsContact O-CG1 3.29Å; K321-I325 WeakPolarHBondContact O-CG1 3.46Å; K321-I325 PolarHBondContact O-N 3.45Å; K321-E421 WeakPolarHBondContact CE-OE1 3.3Å; K321-E421 HydrophobicContact CG-CB 4.27Å; K321-E421 HydrophobicContact CG-CG 4.07Å; K321-E421 IonicContact NZ-OE1 2.64Å; K321-A424 HydrophobicContact CB-CB 3.91Å; K321-A424 HydrophobicContact CG-CB 3.89Å
322	T	94	Very high	93.3	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-44.1	174.4	-54.5	0	0	0	0	110.8	T318 A320 I325 Q326 A424 A427	T318-T322 WeakPolarHBondContact O-CB 3.49Å; T318-T322 PolarHBondContact O-N 3.28Å; T318-T322 PolarHBondContact O-OG1 3.4Å; A320-T322 VanDerWaalsContact C-N 3.3Å; A320-T322 PolarHBondContact O-N 3.43Å; T322-I325 PolarHBondContact O-N 3.07Å; T322-Q326 WeakPolarHBondContact O-CB 3.41Å; T322-Q326 VanDerWaalsContact O-CG 3.25Å; T322-Q326 WeakPolarHBondContact O-CG 3.48Å; T322-Q326 PolarHBondContact O-N 3.37Å; T322-A424 WeakPolarHBondContact OG1-CA 3.3Å; T322-A424 WeakPolarHBondContact OG1-CB 3.17Å; T322-A427 HydrophobicContact CG2-CB 4.14Å
323	K	93.4	Very high	93.5	Very high	123 Å²	123	65.7 Å²	65.7	54%	0.535	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-39.3	175.4	-70.1	176.5	178.7	179.7	0	112.7	A319 A320 Q326 E327	A319-K323 PolarHBondContact O-N 3.19Å; A320-K323 PolarHBondContact O-N 3.11Å; K323-Q326 PolarHBondContact O-N 3.48Å; K323-E327 PolarHBondContact O-N 3.5Å
324	E	95.8	Very high	93.9	Very high	101 Å²	101	65.7 Å²	65.7	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-58.2	-48.7	174.9	-166.5	-156	125.9	0	0	111.1	A320 K321 E327 Q328	A320-E324 PolarHBondContact O-N 2.83Å; K321-E324 HydrophobicContact CD-CB 4.29Å; K321-E324 WeakPolarHBondContact CD-OE2 3.39Å; K321-E324 IonicContact NZ-OE1 3.99Å; K321-E324 PolarHBondContact NZ-OE1 3.36Å; K321-E324 IonicContact NZ-OE2 2.79Å; K321-E324 PolarHBondContact NZ-OE2 2.99Å; K321-E324 WeakPolarHBondContact O-CB 3.44Å; K321-E324 PolarHBondContact O-N 3.18Å; E324-E327 PolarHBondContact O-N 2.68Å; E324-Q328 VanDerWaalsContact O-CB 3.32Å; E324-Q328 WeakPolarHBondContact O-CB 3.46Å; E324-Q328 PolarHBondContact O-N 3.07Å
325	I	95.1	Very high	94.3	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-41.8	177.4	-67	163.4	0	0	0	111	K321 T322 E327 Q328 F329 L334 A424 Y425 A428	K321-I325 HydrophobicContact CD-CD1 4.44Å; K321-I325 HydrophobicContact CG-CD1 4.07Å; K321-I325 WeakPolarHBondContact O-CD1 3.41Å; K321-I325 VanDerWaalsContact O-CG1 3.29Å; K321-I325 WeakPolarHBondContact O-CG1 3.46Å; K321-I325 PolarHBondContact O-N 3.45Å; T322-I325 PolarHBondContact O-N 3.07Å; I325-E327 PolarHBondContact O-N 2.63Å; I325-Q328 PolarHBondContact O-N 3.21Å; I325-F329 HydrophobicContact CG2-CD2 3.85Å; I325-F329 HydrophobicContact CG2-CE2 4.16Å; I325-F329 VanDerWaalsContact O-CD2 3.3Å; I325-F329 WeakPolarHBondContact O-CD2 3.45Å; I325-F329 PolarHBondContact O-N 3.09Å; I325-L334 HydrophobicContact CG2-CD2 3.98Å; I325-A424 HydrophobicContact CD1-CB 3.83Å; I325-Y425 HydrophobicContact CD1-CD1 3.76Å; I325-Y425 HydrophobicContact CD1-CD2 3.89Å; I325-Y425 HydrophobicContact CD1-CE1 3.72Å; I325-Y425 HydrophobicContact CD1-CE2 3.86Å; I325-Y425 HydrophobicContact CD1-CG 3.83Å; I325-Y425 HydrophobicContact CG1-CD1 4.36Å; I325-Y425 HydrophobicContact CG1-CE1 3.93Å; I325-Y425 HydrophobicContact CG2-CD1 4.08Å; I325-Y425 HydrophobicContact CG2-CE1 4.02Å; I325-A428 HydrophobicContact CB-CB 4.39Å; I325-A428 HydrophobicContact CG2-CB 3.64Å
326	Q	93.6	Very high	94.5	Very high	86 Å²	86	59.2 Å²	59.2	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-63.4	-38.1	177.5	-76	170.3	-22.2	0	0	113.1	T322 K323 K330 A428	T322-Q326 WeakPolarHBondContact O-CB 3.41Å; T322-Q326 VanDerWaalsContact O-CG 3.25Å; T322-Q326 WeakPolarHBondContact O-CG 3.48Å; T322-Q326 PolarHBondContact O-N 3.37Å; K323-Q326 PolarHBondContact O-N 3.48Å; Q326-K330 WeakPolarHBondContact O-CA 3.48Å; Q326-K330 PolarHBondContact O-N 2.79Å; Q326-A428 HydrophobicContact CG-CB 4.46Å
327	E	95	Very high	94.8	Very high	118 Å²	118	52.3 Å²	52.3	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-75.3	-38.2	175.4	-165	66.8	-155.9	0	0	111.4	K323 E324 I325 F329 K330	K323-E327 PolarHBondContact O-N 3.5Å; E324-E327 PolarHBondContact O-N 2.68Å; I325-E327 PolarHBondContact O-N 2.63Å; E327-F329 VanDerWaalsContact C-N 3.34Å; E327-F329 PolarHBondContact O-N 2.87Å; E327-K330 VanDerWaalsContact CD-CD 3.5Å; E327-K330 VanDerWaalsContact O-CB 3.25Å; E327-K330 WeakPolarHBondContact O-CB 3.42Å; E327-K330 PolarHBondContact O-N 3.48Å; E327-K330 VanDerWaalsContact OE1-CD 3.22Å; E327-K330 WeakPolarHBondContact OE1-CD 3.31Å; E327-K330 IonicContact OE1-NZ 2.69Å; E327-K330 PolarHBondContact OE1-NZ 3.17Å; E327-K330 WeakPolarHBondContact OE2-CD 3.33Å; E327-K330 IonicContact OE2-NZ 3.25Å; E327-K330 PolarHBondContact OE2-NZ 3.19Å
328	Q	94.7	Very high	95	Very high	103 Å²	103	49.3 Å²	49.3	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-59.8	-40.4	176.2	-177.9	-177.3	7.1	0	0	112.8	E324 I325	E324-Q328 VanDerWaalsContact O-CB 3.32Å; E324-Q328 WeakPolarHBondContact O-CB 3.46Å; E324-Q328 PolarHBondContact O-N 3.07Å; I325-Q328 PolarHBondContact O-N 3.21Å
329	F	94.4	Very high	95.1	Very high	20 Å²	20	49.5 Å²	49.5	9%	0.088	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	21.4	-179.4	-59.4	-68.9	0	0	0	113.1	I325 E327 G331 K332 L334 V369 V371 V411 Y425	I325-F329 HydrophobicContact CG2-CD2 3.85Å; I325-F329 HydrophobicContact CG2-CE2 4.16Å; I325-F329 VanDerWaalsContact O-CD2 3.3Å; I325-F329 WeakPolarHBondContact O-CD2 3.45Å; I325-F329 PolarHBondContact O-N 3.09Å; E327-F329 VanDerWaalsContact C-N 3.34Å; E327-F329 PolarHBondContact O-N 2.87Å; F329-G331 PolarHBondContact O-N 3.25Å; F329-K332 WeakPolarHBondContact O-CA 3.48Å; F329-K332 WeakPolarHBondContact O-CB 3.36Å; F329-K332 PolarHBondContact O-N 3.23Å; F329-L334 HydrophobicContact CD2-CD1 4.5Å; F329-L334 HydrophobicContact CD2-CD2 4.4Å; F329-V369 HydrophobicContact CD1-CB 4.33Å; F329-V369 HydrophobicContact CD1-CG1 4.27Å; F329-V369 HydrophobicContact CD1-CG2 4.24Å; F329-V369 HydrophobicContact CE1-CB 4.45Å; F329-V369 HydrophobicContact CE1-CG1 3.88Å; F329-V371 HydrophobicContact CE1-CG2 4.46Å; F329-V371 HydrophobicContact CE2-CG2 4.11Å; F329-V371 HydrophobicContact CZ-CG2 3.81Å; F329-V411 HydrophobicContact CE1-CG2 4.39Å; F329-Y425 HydrophobicContact CE2-CE1 4.45Å
330	K	93.3	Very high	95.2	Very high	132 Å²	132	50 Å²	50	57%	0.574	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	132	-178.9	-167.7	167.6	-171	162.9	0	112.5	Q326 E327 K332	Q326-K330 WeakPolarHBondContact O-CA 3.48Å; Q326-K330 PolarHBondContact O-N 2.79Å; E327-K330 VanDerWaalsContact CD-CD 3.5Å; E327-K330 VanDerWaalsContact O-CB 3.25Å; E327-K330 WeakPolarHBondContact O-CB 3.42Å; E327-K330 PolarHBondContact O-N 3.48Å; E327-K330 VanDerWaalsContact OE1-CD 3.22Å; E327-K330 WeakPolarHBondContact OE1-CD 3.31Å; E327-K330 IonicContact OE1-NZ 2.69Å; E327-K330 PolarHBondContact OE1-NZ 3.17Å; E327-K330 WeakPolarHBondContact OE2-CD 3.33Å; E327-K330 IonicContact OE2-NZ 3.25Å; E327-K330 PolarHBondContact OE2-NZ 3.19Å; K330-K332 PolarHBondContact O-N 2.97Å
331	G	92.2	Very high	95.2	Very high	79 Å²	79	47.5 Å²	47.5	81%	0.814	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	-2	-175.4	0	0	0	0	0	115	F329	F329-G331 PolarHBondContact O-N 3.25Å
332	K	95.1	Very high	95	Very high	56 Å²	56	46.2 Å²	46.2	24%	0.243	23%	0.233	C	C	.	.	S	Bend	trans	-107.9	156.1	175.1	-60	163.4	-179.3	167.1	0	108.8	F329 K330 K367 V369 D406 Y407	F329-K332 WeakPolarHBondContact O-CA 3.48Å; F329-K332 WeakPolarHBondContact O-CB 3.36Å; F329-K332 PolarHBondContact O-N 3.23Å; K330-K332 PolarHBondContact O-N 2.97Å; K332-K367 CarbonylContact C-O 3.51Å; K332-K367 VanDerWaalsContact CA-O 3.31Å; K332-K367 WeakPolarHBondContact CA-O 3.49Å; K332-V369 HydrophobicContact CB-CG2 4.47Å; K332-V369 HydrophobicContact CD-CG2 4.23Å; K332-D406 PolarHBondContact NZ-O 3.42Å; K332-Y407 HydrophobicContact CD-CD2 4.3Å
333	K	95.9	Very high	94.8	Very high	80 Å²	80	47.9 Å²	47.9	35%	0.348	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.5	174	-74.2	-66.6	-177	-172.3	0	109.6	K367 V368 V369 D430 L505	K333-K367 PolarHBondContact N-O 3.47Å; K333-V368 HydrophobicContact CB-CG2 4.4Å; K333-V368 WeakPolarHBondContact O-CA 3.35Å; K333-V369 PolarHBondContact O-N 2.69Å; K333-D430 WeakPolarHBondContact CA-OD2 3.23Å; K333-D430 HydrophobicContact CD-CB 4.11Å; K333-D430 WeakPolarHBondContact CD-OD1 3.34Å; K333-D430 VanDerWaalsContact CD-OD2 3.25Å; K333-D430 WeakPolarHBondContact CD-OD2 3.36Å; K333-D430 WeakPolarHBondContact CE-OD1 3.49Å; K333-D430 IonicContact NZ-OD1 3.98Å; K333-D430 PolarHBondContact NZ-OD1 3.41Å; K333-L505 HydrophobicContact CB-CD2 3.98Å; K333-L505 HydrophobicContact CG-CD2 4.43Å
334	L	97.5	Very high	94.7	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110	-172.9	177.4	58.3	0	0	0	110.5	I325 F329 V371 A428 A429 D430 C431	I325-L334 HydrophobicContact CG2-CD2 3.98Å; F329-L334 HydrophobicContact CD2-CD1 4.5Å; F329-L334 HydrophobicContact CD2-CD2 4.4Å; L334-V371 HydrophobicContact CD1-CB 3.95Å; L334-V371 HydrophobicContact CD1-CG2 3.48Å; L334-V371 VanDerWaalsContact CD1-CG2 3.48Å; L334-A428 HydrophobicContact CD2-CB 4.03Å; L334-A429 HydrophobicContact CD2-CB 4.17Å; L334-A429 HydrophobicContact CG-CB 4Å; L334-D430 PolarHBondContact N-OD2 2.77Å; L334-D430 PolarHBondContact O-N 3.04Å; L334-C431 PolarHBondContact O-N 2.89Å
335	V	98.5	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.5	165.1	-172	0	0	0	0	107.9	V368 V369 L370 V371 C431 L433 V501 L505	V335-V368 HydrophobicContact CG2-CG1 3.9Å; V335-V369 PolarHBondContact N-O 3.36Å; V335-L370 HydrophobicContact CB-CD1 4.14Å; V335-L370 HydrophobicContact CG1-CD1 3.9Å; V335-L370 WeakPolarHBondContact O-CA 3.33Å; V335-V371 PolarHBondContact O-N 3.4Å; V335-C431 CarbonylContact C-O 3.47Å; V335-C431 WeakPolarHBondContact CA-O 3.41Å; V335-L433 HydrophobicContact CG1-CB 3.81Å; V335-L433 HydrophobicContact CG1-CD2 4.2Å; V335-V501 HydrophobicContact CG2-CG1 4.2Å; V335-L505 HydrophobicContact CG2-CD1 4.23Å; V335-L505 HydrophobicContact CG2-CD2 4.37Å
336	L	98.6	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.5	-178.4	179.2	64.1	0	0	0	111.3	I338 V371 Y426 A429 C431 C432 L433	L336-I338 HydrophobicContact CD1-CD1 4.15Å; L336-I338 HydrophobicContact CD1-CG1 3.81Å; L336-I338 HydrophobicContact CD2-CD1 4.11Å; L336-I338 HydrophobicContact CD2-CG1 4.32Å; L336-I338 HydrophobicContact CG-CD1 4.31Å; L336-I338 HydrophobicContact CG-CG1 3.99Å; L336-V371 WeakPolarHBondContact CA-O 3.35Å; L336-V371 HydrophobicContact CD1-CB 4.4Å; L336-V371 HydrophobicContact CD1-CG1 4.26Å; L336-Y426 HydrophobicContact CD2-CD1 3.68Å; L336-Y426 HydrophobicContact CD2-CE1 4.26Å; L336-Y426 HydrophobicContact CD2-CG 4.43Å; L336-A429 HydrophobicContact CB-CB 3.59Å; L336-A429 HydrophobicContact CD2-CB 4.07Å; L336-A429 HydrophobicContact CG-CB 4.48Å; L336-C431 PolarHBondContact N-O 3.26Å; L336-C432 CarbonylContact O-C 3.59Å; L336-C432 WeakPolarHBondContact O-CA 3.21Å; L336-C432 PolarHBondContact O-SG 3.02Å; L336-L433 PolarHBondContact O-N 2.89Å
337	G	98.1	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.3	160.6	0	0	0	0	0	110.1	V371 Q372 I373	G337-V371 PolarHBondContact N-O 2.83Å; G337-Q372 WeakPolarHBondContact O-CA 3.46Å; G337-I373 PolarHBondContact O-N 3.02Å
338	I	97.4	Very high	94.8	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	113.1	172.2	-56.2	-171.1	0	0	0	106.4	L336 I373 Y426 V444	L336-I338 HydrophobicContact CD1-CD1 4.15Å; L336-I338 HydrophobicContact CD1-CG1 3.81Å; L336-I338 HydrophobicContact CD2-CD1 4.11Å; L336-I338 HydrophobicContact CD2-CG1 4.32Å; L336-I338 HydrophobicContact CG-CD1 4.31Å; L336-I338 HydrophobicContact CG-CG1 3.99Å; I338-I373 HydrophobicContact CB-CB 4.42Å; I338-I373 HydrophobicContact CD1-CD1 3.84Å; I338-I373 HydrophobicContact CD1-CG1 4.47Å; I338-I373 HydrophobicContact CG1-CB 4.03Å; I338-I373 HydrophobicContact CG1-CD1 4.04Å; I338-I373 HydrophobicContact CG1-CG1 4.12Å; I338-I373 HydrophobicContact CG2-CB 4.25Å; I338-Y426 HydrophobicContact CD1-CD1 4.25Å; I338-Y426 HydrophobicContact CD1-CE1 3.7Å; I338-Y426 HydrophobicContact CD1-CE2 4.26Å; I338-Y426 HydrophobicContact CG1-CE1 4.5Å; I338-V444 HydrophobicContact CB-CG1 3.99Å; I338-V444 WeakPolarHBondContact O-CG2 3.33Å
339	D	95.5	Very high	94.9	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.1	-171.8	-56.7	-93.4	0	0	0	110.1	K345 I347 K350 Q372 I373 N375	D339-K345 HydrophobicContact CB-CB 3.94Å; D339-K345 HydrophobicContact CB-CG 4.24Å; D339-I347 HydrophobicContact CB-CD1 3.96Å; D339-I347 HydrophobicContact CB-CG1 4.11Å; D339-K350 IonicContact OD1-NZ 3.82Å; D339-K350 IonicContact OD2-NZ 2.69Å; D339-K350 PolarHBondContact OD2-NZ 2.85Å; D339-Q372 PolarHBondContact OD2-NE2 3.47Å; D339-Q372 PolarHBondContact OD2-OE1 2.89Å; D339-I373 PolarHBondContact N-O 3.24Å; D339-I373 VanDerWaalsContact N-O 3.14Å; D339-N375 PolarHBondContact O-N 2.77Å
340	D	92.6	Very high	95	Very high	24 Å²	24	25.5 Å²	25.5	13%	0.128	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	146.1	169.2	-57.9	-11.4	0	0	0	109.1	D342 K345 N375 R378	D340-D342 VanDerWaalsContact C-N 3.35Å; D340-D342 PolarHBondContact O-N 3.43Å; D340-K345 WeakPolarHBondContact O-CG 3.25Å; D340-N375 WeakPolarHBondContact OD1-CB 3.47Å; D340-N375 PolarHBondContact OD1-ND2 2.73Å; D340-R378 IonicContact OD2-CZ 2.58Å; D340-R378 IonicContact OD2-NE 2.98Å; D340-R378 PolarHBondContact OD2-NE 3.42Å; D340-R378 IonicContact OD2-NH2 3.97Å; D340-R378 PolarHBondContact OD2-NH2 2.85Å
341	M	93.6	Very high	95.2	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.049	12%	0.115	C	C	.	.	S	Bend	trans	-69.2	93.4	173.7	-178.2	50.9	62.8	0	0	110.3	I347 V374 N375 A377 V384 A387 K388 T391 Y392	M341-I347 HydrophobicContact CE-CD1 4.16Å; M341-V374 HydrophobicContact CB-CG1 3.83Å; M341-V374 HydrophobicContact CE-CG1 3.66Å; M341-V374 HydrophobicContact CE-CG2 4.41Å; M341-N375 PolarHBondContact N-O 2.91Å; M341-A377 HydrophobicContact CB-CB 4.13Å; M341-A377 HydrophobicContact CG-CB 4.42Å; M341-A377 WeakPolarHBondContact O-CA 3.34Å; M341-A377 VanDerWaalsContact O-CB 3.24Å; M341-A377 WeakPolarHBondContact O-CB 3.46Å; M341-V384 HydrophobicContact CG-CG1 4.19Å; M341-A387 HydrophobicContact SD-CB 4.37Å; M341-K388 HydrophobicContact CE-CB 4.32Å; M341-K388 HydrophobicContact CE-CG 4.36Å; M341-K388 HydrophobicContact CG-CB 4.32Å; M341-K388 HydrophobicContact SD-CB 3.9Å; M341-K388 HydrophobicContact SD-CG 4.47Å; M341-T391 HydrophobicContact CE-CG2 4.46Å; M341-Y392 HydrophobicContact CE-CE2 4.45Å
342	D	90.6	Very high	95.5	Very high	15 Å²	15	17.7 Å²	17.7	8%	0.08	9%	0.088	C	C	.	.	S	Bend	trans	-157.4	135.5	-174.3	179.1	-41.4	0	0	0	108.1	W153 D340 F344 K345	W153-D342 WeakPolarHBondContact CZ2-OD2 3.37Å; W153-D342 PolarHBondContact NE1-OD2 3.37Å; D340-D342 VanDerWaalsContact C-N 3.35Å; D340-D342 PolarHBondContact O-N 3.43Å; D342-F344 PolarHBondContact O-N 2.7Å; D342-F344 VanDerWaalsContact O-N 3.14Å; D342-F344 WeakPolarHBondContact OD1-CB 3.28Å; D342-F344 WeakPolarHBondContact OD1-CD2 3.35Å; D342-F344 PolarHBondContact OD1-N 3.11Å; D342-K345 HydrophobicContact CB-CG 4.18Å; D342-K345 PolarHBondContact O-N 3.43Å
343	I	89.7	Confident	95.6	Very high	44 Å²	44	15.2 Å²	15.2	23%	0.226	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-50.5	-36.2	179.8	62.2	-160.3	0	0	0	113.2	M159 K345 G346 D383 A387	M159-I343 HydrophobicContact CE-CD1 3.64Å; M159-I343 HydrophobicContact CE-CG1 4.37Å; M159-I343 HydrophobicContact SD-CD1 3.66Å; I343-K345 PolarHBondContact O-N 3.27Å; I343-G346 PolarHBondContact O-N 2.84Å; I343-D383 HydrophobicContact CD1-CB 3.89Å; I343-D383 HydrophobicContact CG2-CB 3.76Å; I343-D383 VanDerWaalsContact CG2-O 3.24Å; I343-D383 WeakPolarHBondContact CG2-O 3.39Å; I343-A387 HydrophobicContact CG2-CB 3.91Å
344	F	92.6	Very high	95.7	Very high	8 Å²	8	11.4 Å²	11.4	4%	0.035	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-73.2	-9.2	-176.2	-58.2	-62	0	0	0	113.5	W153 P154 H157 M159 D342 A436 V437 R438	W153-F344 AromaticContact CD1-CE2 3.96Å; W153-F344 AromaticContact NE1-CD2 3.75Å; P154-F344 HydrophobicContact CB-CE2 4.47Å; P154-F344 HydrophobicContact CB-CZ 4.15Å; H157-F344 HydrophobicContact CB-CB 4.48Å; H157-F344 HydrophobicContact CB-CD1 3.49Å; H157-F344 VanDerWaalsContact CB-CD1 3.49Å; H157-F344 HydrophobicContact CB-CD2 3.72Å; H157-F344 HydrophobicContact CB-CE1 3.53Å; H157-F344 HydrophobicContact CB-CE2 3.77Å; H157-F344 HydrophobicContact CB-CG 3.61Å; H157-F344 HydrophobicContact CB-CZ 3.69Å; H157-F344 AromaticContact CG-CD2 3.91Å; H157-F344 AromaticContact CG-CG 3.95Å; M159-F344 HydrophobicContact CB-CE1 3.89Å; M159-F344 HydrophobicContact CB-CZ 3.72Å; M159-F344 HydrophobicContact CE-CE1 4.08Å; M159-F344 HydrophobicContact CE-CZ 4.18Å; M159-F344 HydrophobicContact SD-CZ 4.07Å; D342-F344 PolarHBondContact O-N 2.7Å; D342-F344 VanDerWaalsContact O-N 3.14Å; D342-F344 WeakPolarHBondContact OD1-CB 3.28Å; D342-F344 WeakPolarHBondContact OD1-CD2 3.35Å; D342-F344 PolarHBondContact OD1-N 3.11Å; F344-A436 CarbonylContact O-C 3.58Å; F344-A436 WeakPolarHBondContact O-CB 3.36Å; F344-V437 HydrophobicContact CB-CG2 4.38Å; F344-V437 HydrophobicContact CD1-CG2 4.34Å; F344-V437 VanDerWaalsContact O-CG2 3.27Å; F344-V437 WeakPolarHBondContact O-CG2 3.42Å; F344-V437 PolarHBondContact O-N 3.1Å; F344-R438 PolarHBondContact O-N 3.41Å
345	K	94.2	Very high	95.7	Very high	11 Å²	11	11.7 Å²	11.7	5%	0.048	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-86.1	-6.6	176.8	-53.5	-50.9	178.5	-164.5	0	114.4	D339 D340 D342 I343 I347 A436 D439	D339-K345 HydrophobicContact CB-CB 3.94Å; D339-K345 HydrophobicContact CB-CG 4.24Å; D340-K345 WeakPolarHBondContact O-CG 3.25Å; D342-K345 HydrophobicContact CB-CG 4.18Å; D342-K345 PolarHBondContact O-N 3.43Å; I343-K345 PolarHBondContact O-N 3.27Å; K345-I347 HydrophobicContact CB-CG1 4.09Å; K345-I347 PolarHBondContact O-N 3.43Å; K345-A436 HydrophobicContact CD-CB 4.2Å; K345-D439 IonicContact NZ-OD1 3.67Å; K345-D439 PolarHBondContact NZ-OD1 3.37Å; K345-D439 IonicContact NZ-OD2 3.95Å; K345-D439 PolarHBondContact NZ-OD2 3.16Å
346	G	93.9	Very high	95.7	Very high	4 Å²	4	13.6 Å²	13.6	4%	0.041	7%	0.071	C	C	.	.			trans	60.5	30.5	170.7	0	0	0	0	0	114.4	I343 S348 L349 K350	I343-G346 PolarHBondContact O-N 2.84Å; G346-S348 VanDerWaalsContact C-N 3.32Å; G346-S348 PolarHBondContact O-N 3.14Å; G346-L349 WeakPolarHBondContact O-CB 3.31Å; G346-L349 PolarHBondContact O-N 3.08Å; G346-K350 PolarHBondContact O-N 2.83Å
347	I	96.6	Very high	95.6	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-61.6	-40.9	-173.8	-55.1	176.8	0	0	0	110.7	D339 M341 K345 K350 L351 Q372 T391	D339-I347 HydrophobicContact CB-CD1 3.96Å; D339-I347 HydrophobicContact CB-CG1 4.11Å; M341-I347 HydrophobicContact CE-CD1 4.16Å; K345-I347 HydrophobicContact CB-CG1 4.09Å; K345-I347 PolarHBondContact O-N 3.43Å; I347-K350 VanDerWaalsContact O-CB 3.24Å; I347-K350 WeakPolarHBondContact O-CB 3.49Å; I347-K350 PolarHBondContact O-N 3.19Å; I347-L351 WeakPolarHBondContact O-CG 3.47Å; I347-L351 PolarHBondContact O-N 3.34Å; I347-L351 VanDerWaalsContact O-N 3.08Å; I347-Q372 HydrophobicContact CG2-CG 3.98Å; I347-T391 HydrophobicContact CG2-CG2 3.72Å
348	S	95.5	Very high	95.6	Very high	15 Å²	15	13.6 Å²	13.6	11%	0.105	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-48.6	174.4	46	0	0	0	0	112.7	G346 K350 L351 I352 E390	G346-S348 VanDerWaalsContact C-N 3.32Å; G346-S348 PolarHBondContact O-N 3.14Å; S348-K350 PolarHBondContact O-N 2.97Å; S348-L351 WeakPolarHBondContact O-CA 3.28Å; S348-L351 WeakPolarHBondContact O-CB 3.29Å; S348-L351 PolarHBondContact O-N 3.16Å; S348-I352 VanDerWaalsContact O-CG1 3.31Å; S348-I352 WeakPolarHBondContact O-CG1 3.08Å; S348-I352 PolarHBondContact O-N 2.96Å; S348-E390 WeakPolarHBondContact CB-OE1 3.23Å; S348-E390 WeakPolarHBondContact CB-OE2 3.48Å; S348-E390 VanDerWaalsContact OG-CD 3.28Å; S348-E390 PolarHBondContact OG-OE2 2.73Å
349	L	96.4	Very high	95.5	Very high	39 Å²	39	17.6 Å²	17.6	20%	0.204	9%	0.09	C	C	.	.	H	α-helix	trans	-54	-39.1	172.7	-64	169.9	0	0	0	111.8	G346 L351 I352 A353 V437	G346-L349 WeakPolarHBondContact O-CB 3.31Å; G346-L349 PolarHBondContact O-N 3.08Å; L349-L351 PolarHBondContact O-N 3.31Å; L349-I352 PolarHBondContact O-N 3.17Å; L349-A353 WeakPolarHBondContact O-CB 3.48Å; L349-A353 PolarHBondContact O-N 3.35Å; L349-V437 HydrophobicContact CD1-CG1 3.54Å
350	K	97.6	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-43.3	175.2	-160.3	-174.5	-59.4	-172.5	0	112.2	D339 G346 I347 S348 M354 L370 Q372 L433 N435	D339-K350 IonicContact OD1-NZ 3.82Å; D339-K350 IonicContact OD2-NZ 2.69Å; D339-K350 PolarHBondContact OD2-NZ 2.85Å; G346-K350 PolarHBondContact O-N 2.83Å; I347-K350 VanDerWaalsContact O-CB 3.24Å; I347-K350 WeakPolarHBondContact O-CB 3.49Å; I347-K350 PolarHBondContact O-N 3.19Å; S348-K350 PolarHBondContact O-N 2.97Å; K350-M354 WeakPolarHBondContact O-CG 3.21Å; K350-M354 PolarHBondContact O-N 3Å; K350-M354 VanDerWaalsContact O-N 3.13Å; K350-L370 HydrophobicContact CD-CD2 4.22Å; K350-L370 HydrophobicContact CG-CD2 4.36Å; K350-Q372 VanDerWaalsContact CD-OE1 3.3Å; K350-L433 HydrophobicContact CD-CB 4.49Å; K350-L433 HydrophobicContact CD-CD2 3.87Å; K350-L433 HydrophobicContact CD-CG 3.86Å; K350-L433 WeakPolarHBondContact CE-O 3.29Å; K350-L433 HydrophobicContact CG-CD2 3.42Å; K350-L433 VanDerWaalsContact CG-CD2 3.42Å; K350-L433 HydrophobicContact CG-CG 3.75Å; K350-L433 PolarHBondContact NZ-O 3.46Å; K350-N435 WeakPolarHBondContact CA-ND2 3.22Å; K350-N435 VanDerWaalsContact CB-OD1 3.24Å; K350-N435 WeakPolarHBondContact CB-OD1 3.36Å; K350-N435 WeakPolarHBondContact CE-OD1 3.39Å; K350-N435 VanDerWaalsContact CG-OD1 3.24Å; K350-N435 WeakPolarHBondContact CG-OD1 3.34Å; K350-N435 PolarHBondContact N-ND2 3.29Å
351	L	98.1	Very high	95.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.9	-40.3	177.8	-62.4	-174.7	0	0	0	111.8	I347 S348 L349 M354 E355 L370 T391 T394 A395 I398 I410	I347-L351 WeakPolarHBondContact O-CG 3.47Å; I347-L351 PolarHBondContact O-N 3.34Å; I347-L351 VanDerWaalsContact O-N 3.08Å; S348-L351 WeakPolarHBondContact O-CA 3.28Å; S348-L351 WeakPolarHBondContact O-CB 3.29Å; S348-L351 PolarHBondContact O-N 3.16Å; L349-L351 PolarHBondContact O-N 3.31Å; L351-M354 CarbonylContact O-C 3.5Å; L351-M354 WeakPolarHBondContact O-CB 3.2Å; L351-M354 PolarHBondContact O-N 3.28Å; L351-M354 VanDerWaalsContact O-N 3.16Å; L351-E355 PolarHBondContact O-N 2.99Å; L351-L370 HydrophobicContact CD2-CD2 3.73Å; L351-T391 HydrophobicContact CD1-CG2 4.06Å; L351-T391 VanDerWaalsContact CD1-O 3.22Å; L351-T391 WeakPolarHBondContact CD1-O 3.26Å; L351-T394 HydrophobicContact CB-CG2 3.62Å; L351-T394 HydrophobicContact CD1-CG2 4.21Å; L351-A395 HydrophobicContact CD1-CB 3.82Å; L351-I398 HydrophobicContact CB-CD1 3.95Å; L351-I398 WeakPolarHBondContact O-CD1 3.2Å; L351-I410 HydrophobicContact CD2-CD1 4.18Å; L351-I410 HydrophobicContact CD2-CG1 4.48Å; L351-I410 HydrophobicContact CD2-CG2 3.53Å
352	I	97.6	Very high	95.7	Very high	47 Å²	47	30 Å²	30	24%	0.241	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-41.7	177	-63.8	163.6	0	0	0	110.5	S348 L349 M354 E355 H356 T394 V494	S348-I352 VanDerWaalsContact O-CG1 3.31Å; S348-I352 WeakPolarHBondContact O-CG1 3.08Å; S348-I352 PolarHBondContact O-N 2.96Å; L349-I352 PolarHBondContact O-N 3.17Å; I352-M354 VanDerWaalsContact C-N 3.34Å; I352-M354 PolarHBondContact O-N 3.46Å; I352-E355 WeakPolarHBondContact O-CA 3.44Å; I352-E355 VanDerWaalsContact O-CB 3.31Å; I352-E355 WeakPolarHBondContact O-CB 3.27Å; I352-E355 PolarHBondContact O-N 3.02Å; I352-H356 PolarHBondContact O-N 3.32Å; I352-T394 HydrophobicContact CG1-CG2 4.17Å; I352-V494 HydrophobicContact CG2-CG1 3.86Å; I352-V494 HydrophobicContact CG2-CG2 4.03Å
353	A	97.8	Very high	95.9	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-35.2	172.9	0	0	0	0	0	113.1	L349 E355 L357 V494 V497 A498	L349-A353 WeakPolarHBondContact O-CB 3.48Å; L349-A353 PolarHBondContact O-N 3.35Å; A353-E355 VanDerWaalsContact C-N 3.33Å; A353-L357 WeakPolarHBondContact O-CB 3.44Å; A353-L357 PolarHBondContact O-N 3.02Å; A353-V494 HydrophobicContact CB-CG1 4.4Å; A353-V497 HydrophobicContact CB-CB 3.67Å; A353-V497 HydrophobicContact CB-CG1 3.42Å; A353-V497 VanDerWaalsContact CB-CG1 3.42Å; A353-A498 WeakPolarHBondContact O-CB 3.25Å
354	M	97.9	Very high	96.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-32.5	169.7	-71.2	-59.6	-58	0	0	112.4	K350 L351 I352 L357 F358 V368 L370 I410 V501	K350-M354 WeakPolarHBondContact O-CG 3.21Å; K350-M354 PolarHBondContact O-N 3Å; K350-M354 VanDerWaalsContact O-N 3.13Å; L351-M354 CarbonylContact O-C 3.5Å; L351-M354 WeakPolarHBondContact O-CB 3.2Å; L351-M354 PolarHBondContact O-N 3.28Å; L351-M354 VanDerWaalsContact O-N 3.16Å; I352-M354 VanDerWaalsContact C-N 3.34Å; I352-M354 PolarHBondContact O-N 3.46Å; M354-L357 HydrophobicContact CE-CD2 3.53Å; M354-L357 WeakPolarHBondContact O-CB 3.34Å; M354-L357 HydrophobicContact SD-CD2 3.86Å; M354-F358 HydrophobicContact CB-CE2 4.49Å; M354-F358 HydrophobicContact CE-CE2 3.99Å; M354-F358 HydrophobicContact CE-CZ 3.84Å; M354-F358 WeakPolarHBondContact O-CD2 3.21Å; M354-F358 WeakPolarHBondContact O-CE2 3.48Å; M354-F358 PolarHBondContact O-N 3.31Å; M354-V368 HydrophobicContact CE-CG1 4.04Å; M354-L370 HydrophobicContact CE-CB 4.18Å; M354-L370 HydrophobicContact CG-CB 4.2Å; M354-L370 HydrophobicContact CG-CD2 3.75Å; M354-L370 HydrophobicContact SD-CB 4.46Å; M354-I410 HydrophobicContact CB-CD1 3.88Å; M354-I410 HydrophobicContact CG-CD1 4.31Å; M354-V501 HydrophobicContact SD-CG1 4.19Å
355	E	97.4	Very high	96.1	Very high	11 Å²	11	34.5 Å²	34.5	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-51	172.9	-162.3	175.9	-168.1	0	0	111.3	L351 I352 A353 L357 F358 E359 R397 I398 R401 Y402	L351-E355 PolarHBondContact O-N 2.99Å; I352-E355 WeakPolarHBondContact O-CA 3.44Å; I352-E355 VanDerWaalsContact O-CB 3.31Å; I352-E355 WeakPolarHBondContact O-CB 3.27Å; I352-E355 PolarHBondContact O-N 3.02Å; A353-E355 VanDerWaalsContact C-N 3.33Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 3.04Å; E355-F358 PolarHBondContact O-N 2.91Å; E355-E359 PolarHBondContact O-N 2.93Å; E355-R397 IonicContact OE1-CZ 3.51Å; E355-R397 IonicContact OE1-NH1 3.86Å; E355-R397 PolarHBondContact OE1-NH1 2.97Å; E355-R397 IonicContact OE2-CZ 3.02Å; E355-R397 IonicContact OE2-NH1 2.88Å; E355-R397 PolarHBondContact OE2-NH1 3.26Å; E355-R397 IonicContact OE2-NH2 3.75Å; E355-R397 PolarHBondContact OE2-NH2 2.87Å; E355-I398 HydrophobicContact CB-CD1 3.95Å; E355-I398 HydrophobicContact CB-CG1 3.9Å; E355-I398 HydrophobicContact CG-CG1 3.94Å; E355-R401 IonicContact OE1-CZ 3.09Å; E355-R401 IonicContact OE1-NH1 2.76Å; E355-R401 PolarHBondContact OE1-NH1 3.3Å; E355-Y402 HydrophobicContact CG-CE2 3.76Å
356	H	97.4	Very high	96	Very high	41 Å²	41	35.5 Å²	35.5	19%	0.19	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-40.8	176.8	-174.2	108.9	0	0	0	111.5	I352 F358 E359 T360 V494 D495 A498	I352-H356 PolarHBondContact O-N 3.32Å; H356-F358 VanDerWaalsContact C-N 3.25Å; H356-F358 PolarHBondContact O-N 3.24Å; H356-E359 PolarHBondContact O-N 2.98Å; H356-E359 VanDerWaalsContact O-N 3.08Å; H356-T360 PolarHBondContact CD2-OG1 2.7Å; H356-T360 PolarHBondContact NE2-OG1 3.11Å; H356-T360 PolarHBondContact O-N 3.12Å; H356-V494 HydrophobicContact CB-CG1 3.93Å; H356-D495 VanDerWaalsContact CE1-CG 3.43Å; H356-D495 IonicContact CE1-OD1 3.76Å; H356-D495 PolarHBondContact CE1-OD1 2.94Å; H356-D495 IonicContact CE1-OD2 3.85Å; H356-D495 IonicContact CG-OD1 3.02Å; H356-D495 IonicContact ND1-OD1 3.71Å; H356-D495 PolarHBondContact ND1-OD1 3.18Å; H356-D495 IonicContact NE2-OD1 2.69Å; H356-A498 HydrophobicContact CB-CB 4.25Å
357	L	97.7	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-52.7	-43.7	173.2	-179.1	84.1	0	0	0	111.5	A353 M354 E355 Y361 L364 V368 A498 V501 N502	A353-L357 WeakPolarHBondContact O-CB 3.44Å; A353-L357 PolarHBondContact O-N 3.02Å; M354-L357 HydrophobicContact CE-CD2 3.53Å; M354-L357 WeakPolarHBondContact O-CB 3.34Å; M354-L357 HydrophobicContact SD-CD2 3.86Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 3.04Å; L357-Y361 HydrophobicContact CD1-CD2 3.95Å; L357-Y361 WeakPolarHBondContact O-CA 3.45Å; L357-Y361 WeakPolarHBondContact O-CB 3.35Å; L357-Y361 PolarHBondContact O-N 3.21Å; L357-L364 HydrophobicContact CD1-CD1 3.93Å; L357-L364 HydrophobicContact CD2-CD1 4.28Å; L357-L364 HydrophobicContact CG-CD1 4.02Å; L357-V368 HydrophobicContact CD2-CG1 4.5Å; L357-A498 HydrophobicContact CB-CB 4.18Å; L357-A498 WeakPolarHBondContact CD1-O 3.37Å; L357-V501 HydrophobicContact CD1-CB 4.28Å; L357-V501 HydrophobicContact CD1-CG1 4.2Å; L357-V501 HydrophobicContact CD2-CG1 3.86Å; L357-N502 HydrophobicContact CD1-CB 3.69Å
358	F	97.2	Very high	96.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-75.8	-29	177.8	-64.6	-54.2	0	0	0	113.1	M354 E355 H356 K365 V368 I398 Y402 Y407 P409	M354-F358 HydrophobicContact CB-CE2 4.49Å; M354-F358 HydrophobicContact CE-CE2 3.99Å; M354-F358 HydrophobicContact CE-CZ 3.84Å; M354-F358 WeakPolarHBondContact O-CD2 3.21Å; M354-F358 WeakPolarHBondContact O-CE2 3.48Å; M354-F358 PolarHBondContact O-N 3.31Å; E355-F358 PolarHBondContact O-N 2.91Å; H356-F358 VanDerWaalsContact C-N 3.25Å; H356-F358 PolarHBondContact O-N 3.24Å; F358-K365 HydrophobicContact CB-CG 4.31Å; F358-K365 HydrophobicContact CD1-CG 4.05Å; F358-K365 WeakPolarHBondContact O-CE 3.47Å; F358-K365 PolarHBondContact O-NZ 3.05Å; F358-V368 HydrophobicContact CE1-CB 4.18Å; F358-V368 HydrophobicContact CZ-CB 4.49Å; F358-I398 HydrophobicContact CD2-CG2 4.37Å; F358-Y402 HydrophobicContact CB-CD1 4.34Å; F358-Y402 HydrophobicContact CB-CD2 4.37Å; F358-Y402 HydrophobicContact CB-CE1 4.5Å; F358-Y402 HydrophobicContact CB-CG 4.26Å; F358-Y407 WeakPolarHBondContact CE1-OH 3.27Å; F358-Y407 WeakPolarHBondContact CZ-OH 3.18Å; F358-P409 HydrophobicContact CD2-CB 4.42Å; F358-P409 HydrophobicContact CE2-CB 3.59Å; F358-P409 HydrophobicContact CZ-CB 3.76Å
359	E	96.1	Very high	96.3	Very high	87 Å²	87	39.9 Å²	39.9	41%	0.407	19%	0.191	S	C	.	.	H	α-helix	trans	-65.9	-59.8	172.1	-71.8	-174.5	153.5	0	0	111.2	E355 H356 R401 Y402	E355-E359 PolarHBondContact O-N 2.93Å; H356-E359 PolarHBondContact O-N 2.98Å; H356-E359 VanDerWaalsContact O-N 3.08Å; E359-R401 IonicContact OE1-CZ 2.66Å; E359-R401 IonicContact OE1-NH1 2.68Å; E359-R401 PolarHBondContact OE1-NH1 2.96Å; E359-R401 IonicContact OE1-NH2 2.67Å; E359-R401 PolarHBondContact OE1-NH2 3.17Å; E359-Y402 WeakPolarHBondContact CG-OH 3.38Å; E359-Y402 PolarHBondContact OE1-OH 3.26Å
360	T	96.7	Very high	96.4	Very high	71 Å²	71	38 Å²	38	44%	0.436	18%	0.181	S	C	.	.	H	α-helix	trans	-71.9	-37.9	-173.4	-64.9	0	0	0	0	112.7	H356	H356-T360 PolarHBondContact CD2-OG1 2.7Å; H356-T360 PolarHBondContact NE2-OG1 3.11Å; H356-T360 PolarHBondContact O-N 3.12Å
361	Y	96.2	Very high	96.4	Very high	44 Å²	44	38 Å²	38	17%	0.173	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	58.3	-178.6	-54.3	-69	0	0	0	111.9	L357 H363 L364 N502	L357-Y361 HydrophobicContact CD1-CD2 3.95Å; L357-Y361 WeakPolarHBondContact O-CA 3.45Å; L357-Y361 WeakPolarHBondContact O-CB 3.35Å; L357-Y361 PolarHBondContact O-N 3.21Å; Y361-H363 WeakPolarHBondContact CB-CE1 3.47Å; Y361-H363 AromaticContact CD1-CE1 3Å; Y361-H363 WeakPolarHBondContact CD1-CE1 3.45Å; Y361-H363 AromaticContact CG-CE1 3.52Å; Y361-H363 PolarHBondContact O-N 3.34Å; Y361-L364 WeakPolarHBondContact O-CB 3.21Å; Y361-L364 WeakPolarHBondContact O-CG 3.25Å; Y361-L364 PolarHBondContact O-N 3.41Å; Y361-N502 HydrophobicContact CD2-CB 3.79Å; Y361-N502 HydrophobicContact CE2-CB 3.61Å; Y361-N502 HydrophobicContact CG-CB 4.42Å; Y361-N502 VanDerWaalsContact CZ-ND2 3.25Å; Y361-N502 PolarHBondContact OH-ND2 3.23Å
362	W	93.2	Very high	96.5	Very high	182 Å²	182	38 Å²	38	69%	0.689	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-47.3	-29.7	-175.8	70.4	-93.6	0	0	0	115.3	L364 K365	W362-L364 PolarHBondContact O-N 3.37Å; W362-K365 WeakPolarHBondContact O-CB 3.38Å; W362-K365 WeakPolarHBondContact O-CG 3.43Å; W362-K365 PolarHBondContact O-N 3.12Å; W362-K365 VanDerWaalsContact O-N 3.14Å
363	H	93.6	Very high	96.5	Very high	70 Å²	70	35.8 Å²	35.8	32%	0.324	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-68.2	-7.2	178.2	63.1	-88.8	0	0	0	114.4	Y361 K367 K506	Y361-H363 WeakPolarHBondContact CB-CE1 3.47Å; Y361-H363 AromaticContact CD1-CE1 3Å; Y361-H363 WeakPolarHBondContact CD1-CE1 3.45Å; Y361-H363 AromaticContact CG-CE1 3.52Å; Y361-H363 PolarHBondContact O-N 3.34Å; H363-K367 WeakPolarHBondContact O-CD 3.45Å; H363-K367 WeakPolarHBondContact O-CE 3.36Å; H363-K367 PolarHBondContact O-NZ 3.43Å; H363-K506 WeakPolarHBondContact NE2-CE 3.43Å; H363-K506 PolarHBondContact NE2-NZ 3.27Å; H363-K506 VanDerWaalsContact NE2-NZ 3.15Å
364	L	94.3	Very high	96.4	Very high	17 Å²	17	35.7 Å²	35.7	9%	0.089	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-88.4	-13.9	173.1	-61.4	-177.4	0	0	0	113.4	L357 Y361 W362 K367 V368	L357-L364 HydrophobicContact CD1-CD1 3.93Å; L357-L364 HydrophobicContact CD2-CD1 4.28Å; L357-L364 HydrophobicContact CG-CD1 4.02Å; Y361-L364 WeakPolarHBondContact O-CB 3.21Å; Y361-L364 WeakPolarHBondContact O-CG 3.25Å; Y361-L364 PolarHBondContact O-N 3.41Å; W362-L364 PolarHBondContact O-N 3.37Å; L364-K367 WeakPolarHBondContact O-CA 3.42Å; L364-K367 WeakPolarHBondContact O-CB 3.32Å; L364-K367 PolarHBondContact O-N 3.11Å; L364-V368 HydrophobicContact CB-CG2 3.85Å; L364-V368 HydrophobicContact CD1-CG2 4.41Å; L364-V368 HydrophobicContact CD2-CG2 4.06Å; L364-V368 HydrophobicContact CG-CG2 4.32Å; L364-V368 PolarHBondContact O-N 3.26Å; L364-V368 VanDerWaalsContact O-N 3.12Å
365	K	92.4	Very high	96.1	Very high	75 Å²	75	36.8 Å²	36.8	33%	0.326	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	140.2	173.3	-66.9	171.7	-174.1	163.9	0	110.2	F358 W362 K367 Y402	F358-K365 HydrophobicContact CB-CG 4.31Å; F358-K365 HydrophobicContact CD1-CG 4.05Å; F358-K365 WeakPolarHBondContact O-CE 3.47Å; F358-K365 PolarHBondContact O-NZ 3.05Å; W362-K365 WeakPolarHBondContact O-CB 3.38Å; W362-K365 WeakPolarHBondContact O-CG 3.43Å; W362-K365 PolarHBondContact O-N 3.12Å; W362-K365 VanDerWaalsContact O-N 3.14Å; K365-K367 PolarHBondContact O-N 2.84Å; K365-K367 VanDerWaalsContact O-N 3.13Å; K365-Y402 HydrophobicContact CD-CD1 4.02Å
366	G	93	Very high	95.8	Very high	33 Å²	33	40.1 Å²	40.1	34%	0.34	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	-14.2	-172.2	0	0	0	0	0	115	Y407	G366-Y407 PolarHBondContact N-OH 2.92Å
367	K	95.9	Very high	95.2	Very high	113 Å²	113	40.1 Å²	40.1	49%	0.491	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-15.9	-172	-59.1	178.2	-165.9	152.2	0	114.9	K332 K333 H363 L364 K365	K332-K367 CarbonylContact C-O 3.51Å; K332-K367 VanDerWaalsContact CA-O 3.31Å; K332-K367 WeakPolarHBondContact CA-O 3.49Å; K333-K367 PolarHBondContact N-O 3.47Å; H363-K367 WeakPolarHBondContact O-CD 3.45Å; H363-K367 WeakPolarHBondContact O-CE 3.36Å; H363-K367 PolarHBondContact O-NZ 3.43Å; L364-K367 WeakPolarHBondContact O-CA 3.42Å; L364-K367 WeakPolarHBondContact O-CB 3.32Å; L364-K367 PolarHBondContact O-N 3.11Å; K365-K367 PolarHBondContact O-N 2.84Å; K365-K367 VanDerWaalsContact O-N 3.13Å
368	V	97.6	Very high	94.4	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.9	180	-176.8	0	0	0	0	109.7	K333 V335 M354 L357 F358 L364 Y407 L505	K333-V368 HydrophobicContact CB-CG2 4.4Å; K333-V368 WeakPolarHBondContact O-CA 3.35Å; V335-V368 HydrophobicContact CG2-CG1 3.9Å; M354-V368 HydrophobicContact CE-CG1 4.04Å; L357-V368 HydrophobicContact CD2-CG1 4.5Å; F358-V368 HydrophobicContact CE1-CB 4.18Å; F358-V368 HydrophobicContact CZ-CB 4.49Å; L364-V368 HydrophobicContact CB-CG2 3.85Å; L364-V368 HydrophobicContact CD1-CG2 4.41Å; L364-V368 HydrophobicContact CD2-CG2 4.06Å; L364-V368 HydrophobicContact CG-CG2 4.32Å; L364-V368 PolarHBondContact O-N 3.26Å; L364-V368 VanDerWaalsContact O-N 3.12Å; V368-Y407 VanDerWaalsContact O-CE2 3.28Å; V368-Y407 WeakPolarHBondContact O-CE2 3.32Å; V368-Y407 PolarHBondContact O-OH 2.99Å; V368-L505 HydrophobicContact CB-CD1 4.42Å; V368-L505 HydrophobicContact CG1-CD1 3.69Å; V368-L505 HydrophobicContact CG2-CD1 3.75Å
369	V	98.1	Very high	93.5	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.6	175.4	178.8	0	0	0	0	109.1	F329 K332 K333 V335 V371 Y407 P409 V411	F329-V369 HydrophobicContact CD1-CB 4.33Å; F329-V369 HydrophobicContact CD1-CG1 4.27Å; F329-V369 HydrophobicContact CD1-CG2 4.24Å; F329-V369 HydrophobicContact CE1-CB 4.45Å; F329-V369 HydrophobicContact CE1-CG1 3.88Å; K332-V369 HydrophobicContact CB-CG2 4.47Å; K332-V369 HydrophobicContact CD-CG2 4.23Å; K333-V369 PolarHBondContact O-N 2.69Å; V335-V369 PolarHBondContact N-O 3.36Å; V369-V371 HydrophobicContact CG1-CG2 4.48Å; V369-Y407 HydrophobicContact CG2-CD2 4.14Å; V369-Y407 HydrophobicContact CG2-CE2 3.74Å; V369-P409 WeakPolarHBondContact CA-O 3.4Å; V369-V411 HydrophobicContact CG1-CG2 3.84Å
370	L	98.5	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.5	162.3	173.1	62.4	0	0	0	108.9	V335 K350 L351 M354 Q372 P409 I410 V411	V335-L370 HydrophobicContact CB-CD1 4.14Å; V335-L370 HydrophobicContact CG1-CD1 3.9Å; V335-L370 WeakPolarHBondContact O-CA 3.33Å; K350-L370 HydrophobicContact CD-CD2 4.22Å; K350-L370 HydrophobicContact CG-CD2 4.36Å; L351-L370 HydrophobicContact CD2-CD2 3.73Å; M354-L370 HydrophobicContact CE-CB 4.18Å; M354-L370 HydrophobicContact CG-CB 4.2Å; M354-L370 HydrophobicContact CG-CD2 3.75Å; M354-L370 HydrophobicContact SD-CB 4.46Å; L370-Q372 HydrophobicContact CG-CB 4.37Å; L370-P409 PolarHBondContact N-O 3.41Å; L370-I410 HydrophobicContact CB-CD1 4.03Å; L370-I410 HydrophobicContact CD2-CD1 4.32Å; L370-V411 PolarHBondContact O-N 2.94Å
371	V	98.5	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.5	158.5	173.1	0	0	0	0	107.4	F329 L334 V335 L336 G337 V369 I373 V411 I413 Y425	F329-V371 HydrophobicContact CE1-CG2 4.46Å; F329-V371 HydrophobicContact CE2-CG2 4.11Å; F329-V371 HydrophobicContact CZ-CG2 3.81Å; L334-V371 HydrophobicContact CD1-CB 3.95Å; L334-V371 HydrophobicContact CD1-CG2 3.48Å; L334-V371 VanDerWaalsContact CD1-CG2 3.48Å; V335-V371 PolarHBondContact O-N 3.4Å; L336-V371 WeakPolarHBondContact CA-O 3.35Å; L336-V371 HydrophobicContact CD1-CB 4.4Å; L336-V371 HydrophobicContact CD1-CG1 4.26Å; G337-V371 PolarHBondContact N-O 2.83Å; V369-V371 HydrophobicContact CG1-CG2 4.48Å; V371-I373 HydrophobicContact CG1-CG1 4.14Å; V371-V411 WeakPolarHBondContact CA-O 3.07Å; V371-V411 HydrophobicContact CG2-CB 4.04Å; V371-V411 HydrophobicContact CG2-CG1 4.33Å; V371-I413 HydrophobicContact CG1-CD1 3.74Å; V371-I413 HydrophobicContact CG1-CG1 4.29Å; V371-Y425 HydrophobicContact CG1-CD1 4.11Å; V371-Y425 HydrophobicContact CG1-CE1 3.91Å; V371-Y425 HydrophobicContact CG2-CE1 4.23Å
372	Q	98.4	Very high	90.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.1	172.8	175.5	65.9	55.5	0	0	108.5	G337 D339 I347 K350 L370 V374 V411 L412 I413	G337-Q372 WeakPolarHBondContact O-CA 3.46Å; D339-Q372 PolarHBondContact OD2-NE2 3.47Å; D339-Q372 PolarHBondContact OD2-OE1 2.89Å; I347-Q372 HydrophobicContact CG2-CG 3.98Å; K350-Q372 VanDerWaalsContact CD-OE1 3.3Å; L370-Q372 HydrophobicContact CG-CB 4.37Å; Q372-V374 HydrophobicContact CG-CG2 4.28Å; Q372-V411 PolarHBondContact N-O 3.35Å; Q372-L412 HydrophobicContact CB-CD2 4.07Å; Q372-L412 HydrophobicContact CG-CD2 4.03Å; Q372-L412 WeakPolarHBondContact O-CA 3.37Å; Q372-I413 PolarHBondContact O-N 3.29Å
373	I	98.1	Very high	90.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.4	170.8	-51.6	-173.8	0	0	0	108	G337 I338 D339 V371 I413 V417 Y425	G337-I373 PolarHBondContact O-N 3.02Å; I338-I373 HydrophobicContact CB-CB 4.42Å; I338-I373 HydrophobicContact CD1-CD1 3.84Å; I338-I373 HydrophobicContact CD1-CG1 4.47Å; I338-I373 HydrophobicContact CG1-CB 4.03Å; I338-I373 HydrophobicContact CG1-CD1 4.04Å; I338-I373 HydrophobicContact CG1-CG1 4.12Å; I338-I373 HydrophobicContact CG2-CB 4.25Å; D339-I373 PolarHBondContact N-O 3.24Å; D339-I373 VanDerWaalsContact N-O 3.14Å; V371-I373 HydrophobicContact CG1-CG1 4.14Å; I373-I413 HydrophobicContact CG1-CB 4.33Å; I373-I413 HydrophobicContact CG1-CD1 4.35Å; I373-V417 HydrophobicContact CD1-CG1 4.4Å; I373-V417 HydrophobicContact CG2-CB 4.31Å; I373-V417 HydrophobicContact CG2-CG2 3.65Å; I373-Y425 HydrophobicContact CD1-CD2 3.72Å; I373-Y425 HydrophobicContact CD1-CE2 4.26Å; I373-Y425 HydrophobicContact CD1-CG 4.15Å
374	V	96.1	Very high	89.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.9	176.9	178.7	0	0	0	0	107.5	M341 Q372 L412 I413	M341-V374 HydrophobicContact CB-CG1 3.83Å; M341-V374 HydrophobicContact CE-CG1 3.66Å; M341-V374 HydrophobicContact CE-CG2 4.41Å; Q372-V374 HydrophobicContact CG-CG2 4.28Å; V374-L412 HydrophobicContact CG2-CD2 4.18Å; V374-I413 PolarHBondContact N-O 3.31Å
375	N	92.5	Very high	89.6	Confident	24 Å²	24	43.3 Å²	43.3	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	151.6	167.5	-49.9	-49	0	0	0	109.1	D339 D340 M341 K422	D339-N375 PolarHBondContact O-N 2.77Å; D340-N375 WeakPolarHBondContact OD1-CB 3.47Å; D340-N375 PolarHBondContact OD1-ND2 2.73Å; M341-N375 PolarHBondContact N-O 2.91Å; N375-K422 PolarHBondContact OD1-NZ 3.07Å
376	P	89.4	Confident	89.4	Confident	81 Å²	81	43 Å²	43	53%	0.526	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-52.4	146.1	175.6	-27.1	35.4	0	0	0	113.1
377	A	86.8	Confident	89.2	Confident	40 Å²	40	42 Å²	42	33%	0.331	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-62.2	146.3	174.4	0	0	0	0	0	111.2	M341 S379 V384	M341-A377 HydrophobicContact CB-CB 4.13Å; M341-A377 HydrophobicContact CG-CB 4.42Å; M341-A377 WeakPolarHBondContact O-CA 3.34Å; M341-A377 VanDerWaalsContact O-CB 3.24Å; M341-A377 WeakPolarHBondContact O-CB 3.46Å; A377-S379 VanDerWaalsContact C-N 3.31Å; A377-S379 WeakPolarHBondContact CB-O 3.39Å; A377-V384 HydrophobicContact CB-CG1 3.48Å; A377-V384 VanDerWaalsContact CB-CG1 3.48Å
378	R	79.8	Confident	89.1	Confident	134 Å²	134	39.9 Å²	39.9	51%	0.506	22%	0.215	S	C	.	.	S	Bend	trans	-87.1	0.1	179.9	-57	-169.3	-170.4	-162.4	7	114.1	Y144 D340	Y144-R378 PolarHBondContact OH-O 3.21Å; D340-R378 IonicContact OD2-CZ 2.58Å; D340-R378 IonicContact OD2-NE 2.98Å; D340-R378 PolarHBondContact OD2-NE 3.42Å; D340-R378 IonicContact OD2-NH2 3.97Å; D340-R378 PolarHBondContact OD2-NH2 2.85Å
379	S	78.2	Confident	89	Confident	22 Å²	22	45.7 Å²	45.7	15%	0.154	24%	0.237	C	C	.	.	S	Bend	trans	-162.5	163.8	-178.8	46.8	0	0	0	0	109.5	A377	A377-S379 VanDerWaalsContact C-N 3.31Å; A377-S379 WeakPolarHBondContact CB-O 3.39Å
380	S	75.3	Confident	88.8	Confident	76 Å²	76	49 Å²	49	53%	0.531	25%	0.252	S	S	.	.			trans	-102.7	154.5	167.9	50.3	0	0	0	0	110.8	H150	H150-S380 PolarHBondContact NE2-O 3.21Å
381	G	78.1	Confident	88.7	Confident	28 Å²	28	49.1 Å²	49.1	29%	0.289	25%	0.253	S	S	.	.	S	Bend	trans	165.6	166.3	-180	0	0	0	0	0	111.9	D383 V384 E385	G381-D383 VanDerWaalsContact C-N 3.32Å; G381-D383 PolarHBondContact O-N 3.44Å; G381-V384 PolarHBondContact O-N 3.48Å; G381-E385 PolarHBondContact O-N 2.94Å
382	K	79.2	Confident	88.5	Confident	127 Å²	127	52.3 Å²	52.3	55%	0.552	27%	0.265	S	S	*	.	H	α-helix	trans	-58.3	-45.9	178	-68.8	-179.1	179.6	168.1	0	111.2	D165 V384 E385 E386	D165-K382 HydrophobicContact CB-CD 4.3Å; D165-K382 IonicContact OD1-NZ 3.57Å; D165-K382 PolarHBondContact OD1-NZ 3.38Å; K382-V384 VanDerWaalsContact C-N 3.26Å; K382-V384 PolarHBondContact O-N 2.94Å; K382-E385 PolarHBondContact O-N 3.17Å; K382-E386 WeakPolarHBondContact O-CB 3.42Å; K382-E386 PolarHBondContact O-N 2.96Å
383	D	80.9	Confident	88.5	Confident	28 Å²	28	57.1 Å²	57.1	15%	0.15	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-38.3	-178.7	-46.7	-61.8	0	0	0	112.7	H166 I343 G381 A387	H166-D383 IonicContact CE1-OD1 2.67Å; H166-D383 IonicContact CG-OD1 3.56Å; H166-D383 IonicContact ND1-OD1 2.67Å; H166-D383 PolarHBondContact ND1-OD1 2.85Å; I343-D383 HydrophobicContact CD1-CB 3.89Å; I343-D383 HydrophobicContact CG2-CB 3.76Å; I343-D383 VanDerWaalsContact CG2-O 3.24Å; I343-D383 WeakPolarHBondContact CG2-O 3.39Å; G381-D383 VanDerWaalsContact C-N 3.32Å; G381-D383 PolarHBondContact O-N 3.44Å; D383-A387 PolarHBondContact O-N 2.8Å
384	V	85.8	Confident	88.4	Confident	14 Å²	14	57.6 Å²	57.6	9%	0.085	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-46.5	178.9	177.2	0	0	0	0	110.9	M341 A377 G381 K382 E386 K388	M341-V384 HydrophobicContact CG-CG1 4.19Å; A377-V384 HydrophobicContact CB-CG1 3.48Å; A377-V384 VanDerWaalsContact CB-CG1 3.48Å; G381-V384 PolarHBondContact O-N 3.48Å; K382-V384 VanDerWaalsContact C-N 3.26Å; K382-V384 PolarHBondContact O-N 2.94Å; V384-E386 VanDerWaalsContact C-N 3.31Å; V384-E386 PolarHBondContact O-N 3.25Å; V384-K388 VanDerWaalsContact O-CB 3.24Å; V384-K388 WeakPolarHBondContact O-CB 3.45Å; V384-K388 PolarHBondContact O-N 2.84Å
385	E	89	Confident	88.5	Confident	109 Å²	109	57.7 Å²	57.7	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-70.7	-27.3	177.5	-68	-58.4	139.6	0	0	112.3	G381 K382 R389	G381-E385 PolarHBondContact O-N 2.94Å; K382-E385 PolarHBondContact O-N 3.17Å; E385-R389 VanDerWaalsContact O-CB 3.29Å; E385-R389 WeakPolarHBondContact O-CB 3.49Å; E385-R389 PolarHBondContact O-N 3.16Å
386	E	87.8	Confident	88.7	Confident	69 Å²	69	63.6 Å²	63.6	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-69.9	-51.9	173.1	-178.3	135.8	-104.8	0	0	112.2	H166 K382 V384 K388 R389 E390	H166-E386 IonicContact CE1-OE2 2.73Å; K382-E386 WeakPolarHBondContact O-CB 3.42Å; K382-E386 PolarHBondContact O-N 2.96Å; V384-E386 VanDerWaalsContact C-N 3.31Å; V384-E386 PolarHBondContact O-N 3.25Å; E386-K388 PolarHBondContact O-N 3.04Å; E386-R389 WeakPolarHBondContact O-CB 3.41Å; E386-R389 PolarHBondContact O-N 2.86Å; E386-R389 VanDerWaalsContact O-N 3.15Å; E386-R389 IonicContact OE1-CZ 3.13Å; E386-R389 VanDerWaalsContact OE1-CZ 3.25Å; E386-R389 IonicContact OE1-NH1 3.26Å; E386-R389 PolarHBondContact OE1-NH1 2.85Å; E386-R389 IonicContact OE1-NH2 2.77Å; E386-R389 PolarHBondContact OE1-NH2 2.68Å; E386-E390 WeakPolarHBondContact O-CB 3.38Å; E386-E390 PolarHBondContact O-N 3.45Å
387	A	90.2	Very high	89.1	Confident	13 Å²	13	64.7 Å²	64.7	11%	0.107	31%	0.306	C	S	.	.	H	α-helix	trans	-61.6	-32.4	174.3	0	0	0	0	0	112.3	M341 I343 D383 T391	M341-A387 HydrophobicContact SD-CB 4.37Å; I343-A387 HydrophobicContact CG2-CB 3.91Å; D383-A387 PolarHBondContact O-N 2.8Å; A387-T391 WeakPolarHBondContact O-CB 3.48Å; A387-T391 PolarHBondContact O-N 2.98Å; A387-T391 PolarHBondContact O-OG1 2.84Å
388	K	93.3	Very high	89.6	Confident	68 Å²	68	62.8 Å²	62.8	30%	0.296	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-51.9	171.2	-168.2	178.7	-176.4	-179.4	0	111.2	M341 V384 E386 E390 T391 Y392	M341-K388 HydrophobicContact CE-CB 4.32Å; M341-K388 HydrophobicContact CE-CG 4.36Å; M341-K388 HydrophobicContact CG-CB 4.32Å; M341-K388 HydrophobicContact SD-CB 3.9Å; M341-K388 HydrophobicContact SD-CG 4.47Å; V384-K388 VanDerWaalsContact O-CB 3.24Å; V384-K388 WeakPolarHBondContact O-CB 3.45Å; V384-K388 PolarHBondContact O-N 2.84Å; E386-K388 PolarHBondContact O-N 3.04Å; K388-E390 PolarHBondContact O-N 2.95Å; K388-T391 PolarHBondContact O-N 3.13Å; K388-Y392 HydrophobicContact CG-CD2 4.22Å; K388-Y392 HydrophobicContact CG-CE2 3.7Å; K388-Y392 WeakPolarHBondContact O-CD2 3.49Å; K388-Y392 PolarHBondContact O-N 2.87Å; K388-Y392 VanDerWaalsContact O-N 3.14Å
389	R	94.2	Very high	90.4	Very high	123 Å²	123	57.6 Å²	57.6	46%	0.464	27%	0.272	S	S	.	.	H	α-helix	trans	-54	-54.6	176.7	-173.7	-170.9	76	-131.5	-5.8	111.1	E385 E386 T391 Y392 E393	E385-R389 VanDerWaalsContact O-CB 3.29Å; E385-R389 WeakPolarHBondContact O-CB 3.49Å; E385-R389 PolarHBondContact O-N 3.16Å; E386-R389 WeakPolarHBondContact O-CB 3.41Å; E386-R389 PolarHBondContact O-N 2.86Å; E386-R389 VanDerWaalsContact O-N 3.15Å; E386-R389 IonicContact OE1-CZ 3.13Å; E386-R389 VanDerWaalsContact OE1-CZ 3.25Å; E386-R389 IonicContact OE1-NH1 3.26Å; E386-R389 PolarHBondContact OE1-NH1 2.85Å; E386-R389 IonicContact OE1-NH2 2.77Å; E386-R389 PolarHBondContact OE1-NH2 2.68Å; R389-T391 VanDerWaalsContact C-N 3.33Å; R389-T391 PolarHBondContact O-N 2.92Å; R389-Y392 PolarHBondContact O-N 3.27Å; R389-E393 HydrophobicContact CG-CG 4.45Å; R389-E393 WeakPolarHBondContact CG-OE1 3.29Å; R389-E393 IonicContact NE-OE2 3.58Å; R389-E393 WeakPolarHBondContact O-CB 3.34Å; R389-E393 WeakPolarHBondContact O-CG 3.44Å; R389-E393 PolarHBondContact O-N 2.99Å
390	E	94.5	Very high	91.3	Very high	73 Å²	73	63.5 Å²	63.5	34%	0.341	30%	0.298	S	S	.	.	H	α-helix	trans	-57.5	-43.8	-179.2	-170	-168	-166.7	0	0	112	S348 E386 K388 Y392 T394	S348-E390 WeakPolarHBondContact CB-OE1 3.23Å; S348-E390 WeakPolarHBondContact CB-OE2 3.48Å; S348-E390 VanDerWaalsContact OG-CD 3.28Å; S348-E390 PolarHBondContact OG-OE2 2.73Å; E386-E390 WeakPolarHBondContact O-CB 3.38Å; E386-E390 PolarHBondContact O-N 3.45Å; K388-E390 PolarHBondContact O-N 2.95Å; E390-Y392 PolarHBondContact O-N 2.71Å; E390-T394 WeakPolarHBondContact O-CB 3.44Å; E390-T394 PolarHBondContact O-N 2.76Å; E390-T394 PolarHBondContact O-OG1 3.13Å
391	T	95.8	Very high	92.3	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-44.5	178	-67.6	0	0	0	0	111.8	M341 I347 L351 A387 K388 R389 A395 L412	M341-T391 HydrophobicContact CE-CG2 4.46Å; I347-T391 HydrophobicContact CG2-CG2 3.72Å; L351-T391 HydrophobicContact CD1-CG2 4.06Å; L351-T391 VanDerWaalsContact CD1-O 3.22Å; L351-T391 WeakPolarHBondContact CD1-O 3.26Å; A387-T391 WeakPolarHBondContact O-CB 3.48Å; A387-T391 PolarHBondContact O-N 2.98Å; A387-T391 PolarHBondContact O-OG1 2.84Å; K388-T391 PolarHBondContact O-N 3.13Å; R389-T391 VanDerWaalsContact C-N 3.33Å; R389-T391 PolarHBondContact O-N 2.92Å; T391-A395 WeakPolarHBondContact O-CB 3.37Å; T391-A395 PolarHBondContact O-N 3.16Å; T391-L412 HydrophobicContact CG2-CD1 4.32Å; T391-L412 HydrophobicContact CG2-CD2 3.92Å
392	Y	96.1	Very high	93.1	Very high	67 Å²	67	66.2 Å²	66.2	26%	0.263	29%	0.287	S	S	.	.	H	α-helix	trans	-81	-35.3	-173.3	-73.4	-131.6	0	0	0	111.3	M341 K388 R389 E390 R396 L412 D414	M341-Y392 HydrophobicContact CE-CE2 4.45Å; K388-Y392 HydrophobicContact CG-CD2 4.22Å; K388-Y392 HydrophobicContact CG-CE2 3.7Å; K388-Y392 WeakPolarHBondContact O-CD2 3.49Å; K388-Y392 PolarHBondContact O-N 2.87Å; K388-Y392 VanDerWaalsContact O-N 3.14Å; R389-Y392 PolarHBondContact O-N 3.27Å; E390-Y392 PolarHBondContact O-N 2.71Å; Y392-R396 VanDerWaalsContact O-CB 3.25Å; Y392-R396 WeakPolarHBondContact O-CB 3.27Å; Y392-R396 PolarHBondContact O-N 2.7Å; Y392-L412 HydrophobicContact CD2-CD1 4.22Å; Y392-L412 HydrophobicContact CG-CD1 4.21Å; Y392-D414 VanDerWaalsContact OH-CB 3.29Å; Y392-D414 WeakPolarHBondContact OH-CB 3.44Å; Y392-D414 PolarHBondContact OH-OD2 3.07Å
393	E	97.2	Very high	93.9	Very high	101 Å²	101	61.4 Å²	61.4	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-45.7	173.2	-71.7	174.3	172.9	0	0	110.8	R389 R396 R397	R389-E393 HydrophobicContact CG-CG 4.45Å; R389-E393 WeakPolarHBondContact CG-OE1 3.29Å; R389-E393 IonicContact NE-OE2 3.58Å; R389-E393 WeakPolarHBondContact O-CB 3.34Å; R389-E393 WeakPolarHBondContact O-CG 3.44Å; R389-E393 PolarHBondContact O-N 2.99Å; E393-R396 PolarHBondContact O-N 2.79Å; E393-R397 VanDerWaalsContact O-CB 3.28Å; E393-R397 WeakPolarHBondContact O-CB 3.16Å; E393-R397 PolarHBondContact O-N 3.46Å
394	T	97.1	Very high	94.4	Very high	11 Å²	11	64.1 Å²	64.1	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-46.3	175.9	-63	0	0	0	0	111.8	L351 I352 E390 R396 R397 I398	L351-T394 HydrophobicContact CB-CG2 3.62Å; L351-T394 HydrophobicContact CD1-CG2 4.21Å; I352-T394 HydrophobicContact CG1-CG2 4.17Å; E390-T394 WeakPolarHBondContact O-CB 3.44Å; E390-T394 PolarHBondContact O-N 2.76Å; E390-T394 PolarHBondContact O-OG1 3.13Å; T394-R396 VanDerWaalsContact C-N 3.28Å; T394-R396 PolarHBondContact O-N 2.76Å; T394-R397 PolarHBondContact O-N 2.87Å; T394-I398 HydrophobicContact CG2-CD1 3.71Å; T394-I398 HydrophobicContact CG2-CG1 4.39Å; T394-I398 VanDerWaalsContact O-CG1 3.27Å; T394-I398 WeakPolarHBondContact O-CG1 3.39Å; T394-I398 PolarHBondContact O-N 2.84Å
395	A	97.4	Very high	94.5	Very high	3 Å²	3	69.7 Å²	69.7	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-37.3	175.7	0	0	0	0	0	112.3	L351 T391 N399 I410 L412	L351-A395 HydrophobicContact CD1-CB 3.82Å; T391-A395 WeakPolarHBondContact O-CB 3.37Å; T391-A395 PolarHBondContact O-N 3.16Å; A395-N399 WeakPolarHBondContact O-CB 3.35Å; A395-N399 VanDerWaalsContact O-CG 3.25Å; A395-N399 PolarHBondContact O-N 2.69Å; A395-N399 PolarHBondContact O-ND2 2.8Å; A395-I410 HydrophobicContact CB-CG2 3.86Å; A395-L412 HydrophobicContact CB-CD1 3.4Å; A395-L412 VanDerWaalsContact CB-CD1 3.4Å; A395-L412 HydrophobicContact CB-CG 3.92Å
396	R	97.1	Very high	94.6	Very high	148 Å²	148	70 Å²	70	56%	0.558	34%	0.336	S	S	*	.	H	α-helix	trans	-64.9	-52.9	175.2	-169	-168.9	-50.8	170.9	8.1	110.7	Y392 E393 T394 I398 N399 E400	Y392-R396 VanDerWaalsContact O-CB 3.25Å; Y392-R396 WeakPolarHBondContact O-CB 3.27Å; Y392-R396 PolarHBondContact O-N 2.7Å; E393-R396 PolarHBondContact O-N 2.79Å; T394-R396 VanDerWaalsContact C-N 3.28Å; T394-R396 PolarHBondContact O-N 2.76Å; R396-I398 VanDerWaalsContact C-N 3.33Å; R396-I398 PolarHBondContact O-N 3.41Å; R396-N399 PolarHBondContact O-N 3.11Å; R396-E400 VanDerWaalsContact CD-OE1 3.32Å; R396-E400 WeakPolarHBondContact CD-OE1 3.37Å; R396-E400 HydrophobicContact CG-CG 4.33Å; R396-E400 VanDerWaalsContact CG-OE1 3.22Å; R396-E400 WeakPolarHBondContact CG-OE1 3.32Å; R396-E400 WeakPolarHBondContact O-CG 3.48Å; R396-E400 PolarHBondContact O-N 2.85Å
397	R	97.4	Very high	94.9	Very high	103 Å²	103	67 Å²	67	39%	0.389	32%	0.322	S	S	.	.	H	α-helix	trans	-53.2	-44.9	179.6	-173	169.7	65.4	74.3	7.1	112.6	E355 E393 T394 R401	E355-R397 IonicContact OE1-CZ 3.51Å; E355-R397 IonicContact OE1-NH1 3.86Å; E355-R397 PolarHBondContact OE1-NH1 2.97Å; E355-R397 IonicContact OE2-CZ 3.02Å; E355-R397 IonicContact OE2-NH1 2.88Å; E355-R397 PolarHBondContact OE2-NH1 3.26Å; E355-R397 IonicContact OE2-NH2 3.75Å; E355-R397 PolarHBondContact OE2-NH2 2.87Å; E393-R397 VanDerWaalsContact O-CB 3.28Å; E393-R397 WeakPolarHBondContact O-CB 3.16Å; E393-R397 PolarHBondContact O-N 3.46Å; T394-R397 PolarHBondContact O-N 2.87Å; R397-R401 WeakPolarHBondContact O-CB 3.2Å; R397-R401 PolarHBondContact O-N 2.92Å; R397-R401 VanDerWaalsContact O-N 3.09Å
398	I	97.3	Very high	95.2	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-41.8	177.2	-61.8	164.8	0	0	0	111.3	L351 E355 F358 T394 R396 R401 Y402 P409 I410	L351-I398 HydrophobicContact CB-CD1 3.95Å; L351-I398 WeakPolarHBondContact O-CD1 3.2Å; E355-I398 HydrophobicContact CB-CD1 3.95Å; E355-I398 HydrophobicContact CB-CG1 3.9Å; E355-I398 HydrophobicContact CG-CG1 3.94Å; F358-I398 HydrophobicContact CD2-CG2 4.37Å; T394-I398 HydrophobicContact CG2-CD1 3.71Å; T394-I398 HydrophobicContact CG2-CG1 4.39Å; T394-I398 VanDerWaalsContact O-CG1 3.27Å; T394-I398 WeakPolarHBondContact O-CG1 3.39Å; T394-I398 PolarHBondContact O-N 2.84Å; R396-I398 VanDerWaalsContact C-N 3.33Å; R396-I398 PolarHBondContact O-N 3.41Å; I398-R401 PolarHBondContact O-N 2.98Å; I398-Y402 HydrophobicContact CG2-CD2 4.03Å; I398-Y402 WeakPolarHBondContact O-CB 3.24Å; I398-Y402 PolarHBondContact O-N 3.06Å; I398-P409 HydrophobicContact CG2-CG 4.24Å; I398-I410 HydrophobicContact CB-CG1 3.96Å; I398-I410 HydrophobicContact CD1-CG1 4.2Å; I398-I410 HydrophobicContact CG2-CD1 4.13Å; I398-I410 HydrophobicContact CG2-CG1 3.57Å
399	N	97.5	Very high	95.3	Very high	26 Å²	26	68.8 Å²	68.8	14%	0.139	33%	0.327	C	S	.	.	H	α-helix	trans	-68.7	-36.4	179.1	-75.8	-47.6	0	0	0	112.9	A395 R396 G403 K408 P409 I410	A395-N399 WeakPolarHBondContact O-CB 3.35Å; A395-N399 VanDerWaalsContact O-CG 3.25Å; A395-N399 PolarHBondContact O-N 2.69Å; A395-N399 PolarHBondContact O-ND2 2.8Å; R396-N399 PolarHBondContact O-N 3.11Å; N399-G403 VanDerWaalsContact O-CA 3.23Å; N399-G403 WeakPolarHBondContact O-CA 3.34Å; N399-G403 PolarHBondContact O-N 2.84Å; N399-K408 HydrophobicContact CB-CG 4.4Å; N399-K408 WeakPolarHBondContact ND2-CE 3.29Å; N399-K408 WeakPolarHBondContact OD1-CG 3.34Å; N399-P409 WeakPolarHBondContact OD1-CD 3.42Å; N399-P409 WeakPolarHBondContact OD1-CG 3.4Å; N399-I410 PolarHBondContact ND2-O 3.26Å; N399-I410 PolarHBondContact OD1-N 2.79Å; N399-I410 PolarHBondContact OD1-O 3.5Å
400	E	96.6	Very high	95.5	Very high	146 Å²	146	62.9 Å²	62.9	68%	0.682	31%	0.305	S	S	*	.	H	α-helix	trans	-69.5	-34.2	175	-71.9	168.7	172.6	0	0	112	R396	R396-E400 VanDerWaalsContact CD-OE1 3.32Å; R396-E400 WeakPolarHBondContact CD-OE1 3.37Å; R396-E400 HydrophobicContact CG-CG 4.33Å; R396-E400 VanDerWaalsContact CG-OE1 3.22Å; R396-E400 WeakPolarHBondContact CG-OE1 3.32Å; R396-E400 WeakPolarHBondContact O-CG 3.48Å; R396-E400 PolarHBondContact O-N 2.85Å
401	R	96.1	Very high	95.7	Very high	134 Å²	134	60.7 Å²	60.7	51%	0.506	30%	0.297	S	S	.	.	H	α-helix	trans	-86.6	-26.8	-176	-168.9	173.2	179.3	-143	-7.3	114.6	E355 E359 R397 I398	E355-R401 IonicContact OE1-CZ 3.09Å; E355-R401 IonicContact OE1-NH1 2.76Å; E355-R401 PolarHBondContact OE1-NH1 3.3Å; E359-R401 IonicContact OE1-CZ 2.66Å; E359-R401 IonicContact OE1-NH1 2.68Å; E359-R401 PolarHBondContact OE1-NH1 2.96Å; E359-R401 IonicContact OE1-NH2 2.67Å; E359-R401 PolarHBondContact OE1-NH2 3.17Å; R397-R401 WeakPolarHBondContact O-CB 3.2Å; R397-R401 PolarHBondContact O-N 2.92Å; R397-R401 VanDerWaalsContact O-N 3.09Å; I398-R401 PolarHBondContact O-N 2.98Å
402	Y	95.8	Very high	95.7	Very high	26 Å²	26	62.6 Å²	62.6	10%	0.102	31%	0.307	C	S	.	.	H	α-helix	trans	-130.3	-4.4	-174	-58.8	-64.5	0	0	0	115.3	E355 F358 E359 K365 I398 Y407	E355-Y402 HydrophobicContact CG-CE2 3.76Å; F358-Y402 HydrophobicContact CB-CD1 4.34Å; F358-Y402 HydrophobicContact CB-CD2 4.37Å; F358-Y402 HydrophobicContact CB-CE1 4.5Å; F358-Y402 HydrophobicContact CB-CG 4.26Å; E359-Y402 WeakPolarHBondContact CG-OH 3.38Å; E359-Y402 PolarHBondContact OE1-OH 3.26Å; K365-Y402 HydrophobicContact CD-CD1 4.02Å; I398-Y402 HydrophobicContact CG2-CD2 4.03Å; I398-Y402 WeakPolarHBondContact O-CB 3.24Å; I398-Y402 PolarHBondContact O-N 3.06Å; Y402-Y407 WeakPolarHBondContact O-CE1 3.36Å
403	G	94.2	Very high	95.8	Very high	26 Å²	26	60.2 Å²	60.2	27%	0.268	30%	0.298	S	S	.	.			trans	-84.8	169.8	176	0	0	0	0	0	114.2	N399 Y407	N399-G403 VanDerWaalsContact O-CA 3.23Å; N399-G403 WeakPolarHBondContact O-CA 3.34Å; N399-G403 PolarHBondContact O-N 2.84Å; G403-Y407 CarbonylContact C-O 3.55Å; G403-Y407 WeakPolarHBondContact CA-O 3.47Å
404	T	92.6	Very high	95.6	Very high	85 Å²	85	59.4 Å²	59.4	52%	0.521	30%	0.297	S	S	.	.			trans	-134	179.7	168.2	63.4	0	0	0	0	108.6	D406 Y407	T404-D406 WeakPolarHBondContact CB-OD1 3.28Å; T404-D406 PolarHBondContact O-N 2.89Å; T404-D406 PolarHBondContact OG1-N 3.4Å; T404-D406 PolarHBondContact OG1-OD1 3.29Å; T404-Y407 PolarHBondContact N-O 3.05Å; T404-Y407 PolarHBondContact O-N 3.41Å; T404-Y407 WeakPolarHBondContact OG1-CB 3.38Å; T404-Y407 PolarHBondContact OG1-N 2.86Å; T404-Y407 VanDerWaalsContact OG1-N 3.16Å
405	S	88.4	Confident	95.4	Very high	131 Å²	131	64.3 Å²	64.3	92%	0.916	31%	0.314	S	S	*	.	S	Bend	trans	-59.5	-22.6	174.9	44.3	0	0	0	0	114.6
406	D	89.8	Confident	95	Very high	116 Å²	116	71 Å²	71	62%	0.62	35%	0.349	S	S	*	.	S	Bend	trans	-117.2	-3.8	-175.7	68.4	-64.8	0	0	0	113.9	K332 T404	K332-D406 PolarHBondContact NZ-O 3.42Å; T404-D406 WeakPolarHBondContact CB-OD1 3.28Å; T404-D406 PolarHBondContact O-N 2.89Å; T404-D406 PolarHBondContact OG1-N 3.4Å; T404-D406 PolarHBondContact OG1-OD1 3.29Å
407	Y	94.4	Very high	94.7	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.027	33%	0.325	C	S	.	.			trans	-137	116.1	-179.9	167.1	-105.3	0	0	0	111.3	K332 F358 G366 V368 V369 Y402 G403 T404 P409	K332-Y407 HydrophobicContact CD-CD2 4.3Å; F358-Y407 WeakPolarHBondContact CE1-OH 3.27Å; F358-Y407 WeakPolarHBondContact CZ-OH 3.18Å; G366-Y407 PolarHBondContact N-OH 2.92Å; V368-Y407 VanDerWaalsContact O-CE2 3.28Å; V368-Y407 WeakPolarHBondContact O-CE2 3.32Å; V368-Y407 PolarHBondContact O-OH 2.99Å; V369-Y407 HydrophobicContact CG2-CD2 4.14Å; V369-Y407 HydrophobicContact CG2-CE2 3.74Å; Y402-Y407 WeakPolarHBondContact O-CE1 3.36Å; G403-Y407 CarbonylContact C-O 3.55Å; G403-Y407 WeakPolarHBondContact CA-O 3.47Å; T404-Y407 PolarHBondContact N-O 3.05Å; T404-Y407 PolarHBondContact O-N 3.41Å; T404-Y407 WeakPolarHBondContact OG1-CB 3.38Å; T404-Y407 PolarHBondContact OG1-N 2.86Å; T404-Y407 VanDerWaalsContact OG1-N 3.16Å; Y407-P409 HydrophobicContact CE1-CB 3.99Å; Y407-P409 HydrophobicContact CE1-CG 4.22Å
408	K	95.7	Very high	94.5	Very high	117 Å²	117	62.7 Å²	62.7	51%	0.509	33%	0.328	S	S	.	.			trans	-109.7	107.2	173	-169.7	174.4	-176.6	177.2	0	108.6	N399 I410 V411	N399-K408 HydrophobicContact CB-CG 4.4Å; N399-K408 WeakPolarHBondContact ND2-CE 3.29Å; N399-K408 WeakPolarHBondContact OD1-CG 3.34Å; K408-I410 VanDerWaalsContact C-N 3.31Å; K408-I410 VanDerWaalsContact CE-O 3.26Å; K408-I410 WeakPolarHBondContact CE-O 3.49Å; K408-I410 PolarHBondContact O-N 2.93Å; K408-V411 HydrophobicContact CB-CG2 4.42Å; K408-V411 HydrophobicContact CD-CG2 4.5Å; K408-V411 HydrophobicContact CG-CG2 4.48Å
409	P	97.1	Very high	94.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-62.7	-33.1	-176.5	19.8	-31.6	0	0	0	113.9	F358 V369 L370 I398 N399 Y407	F358-P409 HydrophobicContact CD2-CB 4.42Å; F358-P409 HydrophobicContact CE2-CB 3.59Å; F358-P409 HydrophobicContact CZ-CB 3.76Å; V369-P409 WeakPolarHBondContact CA-O 3.4Å; L370-P409 PolarHBondContact N-O 3.41Å; I398-P409 HydrophobicContact CG2-CG 4.24Å; N399-P409 WeakPolarHBondContact OD1-CD 3.42Å; N399-P409 WeakPolarHBondContact OD1-CG 3.4Å; Y407-P409 HydrophobicContact CE1-CB 3.99Å; Y407-P409 HydrophobicContact CE1-CG 4.22Å
410	I	98.2	Very high	94	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	109.1	-179.2	-50.3	-60.7	0	0	0	110.1	L351 M354 L370 A395 I398 N399 K408	L351-I410 HydrophobicContact CD2-CD1 4.18Å; L351-I410 HydrophobicContact CD2-CG1 4.48Å; L351-I410 HydrophobicContact CD2-CG2 3.53Å; M354-I410 HydrophobicContact CB-CD1 3.88Å; M354-I410 HydrophobicContact CG-CD1 4.31Å; L370-I410 HydrophobicContact CB-CD1 4.03Å; L370-I410 HydrophobicContact CD2-CD1 4.32Å; A395-I410 HydrophobicContact CB-CG2 3.86Å; I398-I410 HydrophobicContact CB-CG1 3.96Å; I398-I410 HydrophobicContact CD1-CG1 4.2Å; I398-I410 HydrophobicContact CG2-CD1 4.13Å; I398-I410 HydrophobicContact CG2-CG1 3.57Å; N399-I410 PolarHBondContact ND2-O 3.26Å; N399-I410 PolarHBondContact OD1-N 2.79Å; N399-I410 PolarHBondContact OD1-O 3.5Å; K408-I410 VanDerWaalsContact C-N 3.31Å; K408-I410 VanDerWaalsContact CE-O 3.26Å; K408-I410 WeakPolarHBondContact CE-O 3.49Å; K408-I410 PolarHBondContact O-N 2.93Å
411	V	97.6	Very high	94	Very high	26 Å²	26	60.6 Å²	60.6	16%	0.158	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	96.1	175.9	179.8	0	0	0	0	109.2	F329 V369 L370 V371 Q372 K408 I413	F329-V411 HydrophobicContact CE1-CG2 4.39Å; V369-V411 HydrophobicContact CG1-CG2 3.84Å; L370-V411 PolarHBondContact O-N 2.94Å; V371-V411 WeakPolarHBondContact CA-O 3.07Å; V371-V411 HydrophobicContact CG2-CB 4.04Å; V371-V411 HydrophobicContact CG2-CG1 4.33Å; Q372-V411 PolarHBondContact N-O 3.35Å; K408-V411 HydrophobicContact CB-CG2 4.42Å; K408-V411 HydrophobicContact CD-CG2 4.5Å; K408-V411 HydrophobicContact CG-CG2 4.48Å; V411-I413 HydrophobicContact CG1-CG1 4.2Å
412	L	97.1	Very high	93.9	Very high	41 Å²	41	56.5 Å²	56.5	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.3	167.3	-74.5	173.4	0	0	0	110.3	Q372 V374 T391 Y392 A395	Q372-L412 HydrophobicContact CB-CD2 4.07Å; Q372-L412 HydrophobicContact CG-CD2 4.03Å; Q372-L412 WeakPolarHBondContact O-CA 3.37Å; V374-L412 HydrophobicContact CG2-CD2 4.18Å; T391-L412 HydrophobicContact CG2-CD1 4.32Å; T391-L412 HydrophobicContact CG2-CD2 3.92Å; Y392-L412 HydrophobicContact CD2-CD1 4.22Å; Y392-L412 HydrophobicContact CG-CD1 4.21Å; A395-L412 HydrophobicContact CB-CD1 3.4Å; A395-L412 VanDerWaalsContact CB-CD1 3.4Å; A395-L412 HydrophobicContact CB-CG 3.92Å
413	I	96.9	Very high	93.9	Very high	18 Å²	18	55.6 Å²	55.6	9%	0.092	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	88.9	169.8	-54.5	-178.3	0	0	0	108	V371 Q372 I373 V374 V411 R415 V417 Y425	V371-I413 HydrophobicContact CG1-CD1 3.74Å; V371-I413 HydrophobicContact CG1-CG1 4.29Å; Q372-I413 PolarHBondContact O-N 3.29Å; I373-I413 HydrophobicContact CG1-CB 4.33Å; I373-I413 HydrophobicContact CG1-CD1 4.35Å; V374-I413 PolarHBondContact N-O 3.31Å; V411-I413 HydrophobicContact CG1-CG1 4.2Å; I413-R415 HydrophobicContact CG2-CG 3.84Å; I413-V417 HydrophobicContact CG2-CG2 3.62Å; I413-Y425 HydrophobicContact CD1-CE1 4.38Å; I413-Y425 HydrophobicContact CD1-CE2 3.94Å; I413-Y425 WeakPolarHBondContact CD1-OH 3.42Å
414	D	93.9	Very high	94	Very high	84 Å²	84	54.3 Å²	54.3	45%	0.449	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	87.1	171	177.7	38.5	0	0	0	109.5	Y392	Y392-D414 VanDerWaalsContact OH-CB 3.29Å; Y392-D414 WeakPolarHBondContact OH-CB 3.44Å; Y392-D414 PolarHBondContact OH-OD2 3.07Å
415	R	93.3	Very high	94.2	Very high	113 Å²	113	50.7 Å²	50.7	43%	0.426	26%	0.264	S	S	.	.	S	Bend	trans	-166.2	167.3	169.2	58.1	169.5	171.6	87.4	-0.7	109.5	I413 V417 E421	I413-R415 HydrophobicContact CG2-CG 3.84Å; R415-V417 HydrophobicContact CG-CG2 4.24Å; R415-V417 PolarHBondContact O-N 3.16Å; R415-E421 IonicContact CZ-OE1 3.42Å; R415-E421 IonicContact CZ-OE2 2.65Å; R415-E421 VanDerWaalsContact CZ-OE2 3.31Å; R415-E421 IonicContact NH1-OE1 3.13Å; R415-E421 IonicContact NH1-OE2 3.74Å; R415-E421 PolarHBondContact NH1-OE2 3.34Å; R415-E421 IonicContact NH2-OE1 2.6Å; R415-E421 PolarHBondContact NH2-OE1 2.84Å; R415-E421 IonicContact NH2-OE2 2.93Å; R415-E421 PolarHBondContact NH2-OE2 3.24Å
416	L	87.4	Confident	94.5	Very high	145 Å²	145	45 Å²	45	76%	0.759	22%	0.222	S	C	*	.			trans	-63.6	112.5	165.4	-164.9	68.5	0	0	0	109.5
417	V	92.6	Very high	94.7	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.036	20%	0.195	C	C	.	.			trans	-97.7	120.7	177.5	-176.9	0	0	0	0	109.2	I373 I413 R415 E421 K422	I373-V417 HydrophobicContact CD1-CG1 4.4Å; I373-V417 HydrophobicContact CG2-CB 4.31Å; I373-V417 HydrophobicContact CG2-CG2 3.65Å; I413-V417 HydrophobicContact CG2-CG2 3.62Å; R415-V417 HydrophobicContact CG-CG2 4.24Å; R415-V417 PolarHBondContact O-N 3.16Å; V417-E421 HydrophobicContact CG1-CB 3.73Å; V417-E421 HydrophobicContact CG1-CG 3.59Å; V417-K422 HydrophobicContact CB-CD 4.5Å; V417-K422 HydrophobicContact CB-CG 3.91Å; V417-K422 HydrophobicContact CG1-CG 3.6Å; V417-K422 WeakPolarHBondContact O-CE 3.3Å
418	P	92.4	Very high	94.7	Very high	70 Å²	70	40.1 Å²	40.1	46%	0.455	20%	0.2	S	C	.	.			trans	-58.2	155.7	178.7	-26.4	35.5	0	0	0	114.1	S420 E421 K422	P418-S420 VanDerWaalsContact C-N 3.35Å; P418-S420 PolarHBondContact O-N 3.2Å; P418-E421 WeakPolarHBondContact CD-OE2 3.28Å; P418-E421 PolarHBondContact O-N 3.1Å; P418-K422 PolarHBondContact O-N 2.9Å
419	R	90.8	Very high	94.8	Very high	83 Å²	83	34.6 Å²	34.6	31%	0.313	18%	0.175	S	C	.	.	H	α-helix	trans	-50.9	-49.7	178.9	-69.2	175.9	174.5	142.6	9.9	112.6	D84 D86 V312 E421 K422 T423	D84-R419 IonicContact OD1-CZ 2.58Å; D84-R419 IonicContact OD1-NH2 3.45Å; D84-R419 PolarHBondContact OD1-NH2 3.34Å; D86-R419 IonicContact OD2-CZ 3.54Å; D86-R419 IonicContact OD2-NE 3.45Å; D86-R419 PolarHBondContact OD2-NE 2.92Å; D86-R419 IonicContact OD2-NH2 3.22Å; D86-R419 PolarHBondContact OD2-NH2 3.33Å; V312-R419 HydrophobicContact CG1-CB 4.17Å; R419-E421 VanDerWaalsContact C-N 3.35Å; R419-E421 PolarHBondContact O-N 3.2Å; R419-K422 PolarHBondContact O-N 2.79Å; R419-T423 WeakPolarHBondContact O-CB 3.4Å; R419-T423 PolarHBondContact O-N 3.39Å; R419-T423 PolarHBondContact O-OG1 3.22Å; R419-T423 VanDerWaalsContact O-OG1 3.07Å
420	S	93.5	Very high	94.7	Very high	30 Å²	30	36 Å²	36	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-39.6	177.8	46.4	0	0	0	0	113.1	T318 P418 A424	T318-S420 WeakPolarHBondContact OG1-CA 3.26Å; T318-S420 WeakPolarHBondContact OG1-CB 3.16Å; P418-S420 VanDerWaalsContact C-N 3.35Å; P418-S420 PolarHBondContact O-N 3.2Å; S420-A424 WeakPolarHBondContact O-CB 3.18Å; S420-A424 PolarHBondContact O-N 3.2Å
421	E	95.5	Very high	94.6	Very high	15 Å²	15	36 Å²	36	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-41.7	177.6	-177	173.2	-154.6	0	0	111.8	K321 R415 V417 P418 R419 T423 A424 Y425	K321-E421 WeakPolarHBondContact CE-OE1 3.3Å; K321-E421 HydrophobicContact CG-CB 4.27Å; K321-E421 HydrophobicContact CG-CG 4.07Å; K321-E421 IonicContact NZ-OE1 2.64Å; R415-E421 IonicContact CZ-OE1 3.42Å; R415-E421 IonicContact CZ-OE2 2.65Å; R415-E421 VanDerWaalsContact CZ-OE2 3.31Å; R415-E421 IonicContact NH1-OE1 3.13Å; R415-E421 IonicContact NH1-OE2 3.74Å; R415-E421 PolarHBondContact NH1-OE2 3.34Å; R415-E421 IonicContact NH2-OE1 2.6Å; R415-E421 PolarHBondContact NH2-OE1 2.84Å; R415-E421 IonicContact NH2-OE2 2.93Å; R415-E421 PolarHBondContact NH2-OE2 3.24Å; V417-E421 HydrophobicContact CG1-CB 3.73Å; V417-E421 HydrophobicContact CG1-CG 3.59Å; P418-E421 WeakPolarHBondContact CD-OE2 3.28Å; P418-E421 PolarHBondContact O-N 3.1Å; R419-E421 VanDerWaalsContact C-N 3.35Å; R419-E421 PolarHBondContact O-N 3.2Å; E421-T423 PolarHBondContact O-N 2.89Å; E421-A424 WeakPolarHBondContact O-CB 3.22Å; E421-A424 PolarHBondContact O-N 3.47Å; E421-Y425 HydrophobicContact CG-CD2 4.01Å; E421-Y425 HydrophobicContact CG-CE2 3.68Å; E421-Y425 WeakPolarHBondContact O-CD2 3.26Å; E421-Y425 PolarHBondContact O-N 3.46Å
422	K	95	Very high	94.6	Very high	47 Å²	47	34.8 Å²	34.8	20%	0.204	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-45.1	172.4	-69.9	-173.3	174.6	-177.9	0	111.6	N375 V417 P418 R419 A424 Y425 Y426	N375-K422 PolarHBondContact OD1-NZ 3.07Å; V417-K422 HydrophobicContact CB-CD 4.5Å; V417-K422 HydrophobicContact CB-CG 3.91Å; V417-K422 HydrophobicContact CG1-CG 3.6Å; V417-K422 WeakPolarHBondContact O-CE 3.3Å; P418-K422 PolarHBondContact O-N 2.9Å; R419-K422 PolarHBondContact O-N 2.79Å; K422-A424 VanDerWaalsContact C-N 3.32Å; K422-A424 PolarHBondContact O-N 3.37Å; K422-Y425 PolarHBondContact O-N 3.31Å; K422-Y426 VanDerWaalsContact O-CD2 3.26Å; K422-Y426 WeakPolarHBondContact O-CD2 3.41Å; K422-Y426 PolarHBondContact O-N 3.36Å
423	T	95.3	Very high	94.7	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-62.3	-37.1	175.8	-65.7	0	0	0	0	112.4	V312 L313 T318 R419 E421 Y426 A427	V312-T423 HydrophobicContact CG1-CG2 4.23Å; V312-T423 WeakPolarHBondContact CG1-OG1 3.42Å; L313-T423 HydrophobicContact CB-CG2 3.85Å; L313-T423 HydrophobicContact CD1-CG2 3.59Å; L313-T423 HydrophobicContact CG-CG2 4.3Å; T318-T423 HydrophobicContact CG2-CG2 3.69Å; R419-T423 WeakPolarHBondContact O-CB 3.4Å; R419-T423 PolarHBondContact O-N 3.39Å; R419-T423 PolarHBondContact O-OG1 3.22Å; R419-T423 VanDerWaalsContact O-OG1 3.07Å; E421-T423 PolarHBondContact O-N 2.89Å; T423-Y426 PolarHBondContact O-N 3.42Å; T423-A427 WeakPolarHBondContact O-CB 3.46Å; T423-A427 PolarHBondContact O-N 2.91Å
424	A	95.7	Very high	94.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-42.1	173.9	0	0	0	0	0	112.7	T318 K321 T322 I325 S420 E421 K422 A427 A428	T318-A424 HydrophobicContact CG2-CB 4.38Å; K321-A424 HydrophobicContact CB-CB 3.91Å; K321-A424 HydrophobicContact CG-CB 3.89Å; T322-A424 WeakPolarHBondContact OG1-CA 3.3Å; T322-A424 WeakPolarHBondContact OG1-CB 3.17Å; I325-A424 HydrophobicContact CD1-CB 3.83Å; S420-A424 WeakPolarHBondContact O-CB 3.18Å; S420-A424 PolarHBondContact O-N 3.2Å; E421-A424 WeakPolarHBondContact O-CB 3.22Å; E421-A424 PolarHBondContact O-N 3.47Å; K422-A424 VanDerWaalsContact C-N 3.32Å; K422-A424 PolarHBondContact O-N 3.37Å; A424-A427 PolarHBondContact O-N 3.4Å; A424-A428 WeakPolarHBondContact O-CB 3.49Å; A424-A428 PolarHBondContact O-N 2.93Å
425	Y	97.1	Very high	94.8	Very high	9 Å²	9	28 Å²	28	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-43.9	172.6	-80.3	-69.5	0	0	0	112.1	I325 F329 V371 I373 I413 E421 K422 A427 A428 A429	I325-Y425 HydrophobicContact CD1-CD1 3.76Å; I325-Y425 HydrophobicContact CD1-CD2 3.89Å; I325-Y425 HydrophobicContact CD1-CE1 3.72Å; I325-Y425 HydrophobicContact CD1-CE2 3.86Å; I325-Y425 HydrophobicContact CD1-CG 3.83Å; I325-Y425 HydrophobicContact CG1-CD1 4.36Å; I325-Y425 HydrophobicContact CG1-CE1 3.93Å; I325-Y425 HydrophobicContact CG2-CD1 4.08Å; I325-Y425 HydrophobicContact CG2-CE1 4.02Å; F329-Y425 HydrophobicContact CE2-CE1 4.45Å; V371-Y425 HydrophobicContact CG1-CD1 4.11Å; V371-Y425 HydrophobicContact CG1-CE1 3.91Å; V371-Y425 HydrophobicContact CG2-CE1 4.23Å; I373-Y425 HydrophobicContact CD1-CD2 3.72Å; I373-Y425 HydrophobicContact CD1-CE2 4.26Å; I373-Y425 HydrophobicContact CD1-CG 4.15Å; I413-Y425 HydrophobicContact CD1-CE1 4.38Å; I413-Y425 HydrophobicContact CD1-CE2 3.94Å; I413-Y425 WeakPolarHBondContact CD1-OH 3.42Å; E421-Y425 HydrophobicContact CG-CD2 4.01Å; E421-Y425 HydrophobicContact CG-CE2 3.68Å; E421-Y425 WeakPolarHBondContact O-CD2 3.26Å; E421-Y425 PolarHBondContact O-N 3.46Å; K422-Y425 PolarHBondContact O-N 3.31Å; Y425-A427 VanDerWaalsContact C-N 3.35Å; Y425-A427 PolarHBondContact O-N 2.87Å; Y425-A428 PolarHBondContact O-N 3.47Å; Y425-A429 WeakPolarHBondContact O-CB 3.31Å; Y425-A429 PolarHBondContact O-N 2.96Å; Y425-A429 VanDerWaalsContact O-N 3.09Å
426	Y	96.5	Very high	95	Very high	11 Å²	11	22.6 Å²	22.6	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-43.2	175.2	-73.5	-50.8	0	0	0	112.6	L336 I338 K422 T423 V444 K447 Y448 R452	L336-Y426 HydrophobicContact CD2-CD1 3.68Å; L336-Y426 HydrophobicContact CD2-CE1 4.26Å; L336-Y426 HydrophobicContact CD2-CG 4.43Å; I338-Y426 HydrophobicContact CD1-CD1 4.25Å; I338-Y426 HydrophobicContact CD1-CE1 3.7Å; I338-Y426 HydrophobicContact CD1-CE2 4.26Å; I338-Y426 HydrophobicContact CG1-CE1 4.5Å; K422-Y426 VanDerWaalsContact O-CD2 3.26Å; K422-Y426 WeakPolarHBondContact O-CD2 3.41Å; K422-Y426 PolarHBondContact O-N 3.36Å; T423-Y426 PolarHBondContact O-N 3.42Å; Y426-V444 HydrophobicContact CE1-CG1 3.79Å; Y426-K447 HydrophobicContact CD2-CB 4.19Å; Y426-K447 HydrophobicContact CE1-CB 4.33Å; Y426-K447 HydrophobicContact CE2-CB 3.61Å; Y426-K447 HydrophobicContact CE2-CD 4.38Å; Y426-Y448 HydrophobicContact CD1-CD2 4.23Å; Y426-Y448 HydrophobicContact CD1-CG 4.46Å; Y426-Y448 VanDerWaalsContact O-CD2 3.27Å; Y426-Y448 WeakPolarHBondContact O-CD2 3.49Å; Y426-Y448 WeakPolarHBondContact O-CE2 3.4Å; Y426-R452 WeakPolarHBondContact O-CD 3.48Å
427	A	93.9	Very high	95.4	Very high	7 Å²	7	16.5 Å²	16.5	6%	0.058	9%	0.088	C	C	.	.	H	α-helix	trans	-67.3	-37.2	177.7	0	0	0	0	0	112.4	L313 T322 T423 A424 Y425 R452	L313-A427 HydrophobicContact CD1-CB 4.15Å; T322-A427 HydrophobicContact CG2-CB 4.14Å; T423-A427 WeakPolarHBondContact O-CB 3.46Å; T423-A427 PolarHBondContact O-N 2.91Å; A424-A427 PolarHBondContact O-N 3.4Å; Y425-A427 VanDerWaalsContact C-N 3.35Å; Y425-A427 PolarHBondContact O-N 2.87Å; A427-R452 VanDerWaalsContact O-CD 3.29Å; A427-R452 WeakPolarHBondContact O-CD 3.17Å; A427-R452 PolarHBondContact O-NH1 3.23Å
428	A	94.1	Very high	95.4	Very high	14 Å²	14	18.2 Å²	18.2	12%	0.116	9%	0.094	C	C	.	.	H	α-helix	trans	-76.2	-31.4	-176.2	0	0	0	0	0	114.7	I325 Q326 L334 A424 Y425	I325-A428 HydrophobicContact CB-CB 4.39Å; I325-A428 HydrophobicContact CG2-CB 3.64Å; Q326-A428 HydrophobicContact CG-CB 4.46Å; L334-A428 HydrophobicContact CD2-CB 4.03Å; A424-A428 WeakPolarHBondContact O-CB 3.49Å; A424-A428 PolarHBondContact O-N 2.93Å; Y425-A428 PolarHBondContact O-N 3.47Å
429	A	96.1	Very high	95.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.			trans	-73	134.7	-168	0	0	0	0	0	115.3	L334 L336 Y425 Y448	L334-A429 HydrophobicContact CD2-CB 4.17Å; L334-A429 HydrophobicContact CG-CB 4Å; L336-A429 HydrophobicContact CB-CB 3.59Å; L336-A429 HydrophobicContact CD2-CB 4.07Å; L336-A429 HydrophobicContact CG-CB 4.48Å; Y425-A429 WeakPolarHBondContact O-CB 3.31Å; Y425-A429 PolarHBondContact O-N 2.96Å; Y425-A429 VanDerWaalsContact O-N 3.09Å; A429-Y448 HydrophobicContact CB-CE2 4Å; A429-Y448 WeakPolarHBondContact O-CE2 3.46Å; A429-Y448 PolarHBondContact O-OH 3.46Å
430	D	95.2	Very high	95.4	Very high	30 Å²	30	11.6 Å²	11.6	16%	0.16	6%	0.061	C	C	.	.	S	Bend	trans	-70	-33.3	174.4	-67.7	-87.2	0	0	0	112.8	K333 L334 Y448 T470 L505	K333-D430 WeakPolarHBondContact CA-OD2 3.23Å; K333-D430 HydrophobicContact CD-CB 4.11Å; K333-D430 WeakPolarHBondContact CD-OD1 3.34Å; K333-D430 VanDerWaalsContact CD-OD2 3.25Å; K333-D430 WeakPolarHBondContact CD-OD2 3.36Å; K333-D430 WeakPolarHBondContact CE-OD1 3.49Å; K333-D430 IonicContact NZ-OD1 3.98Å; K333-D430 PolarHBondContact NZ-OD1 3.41Å; L334-D430 PolarHBondContact N-OD2 2.77Å; L334-D430 PolarHBondContact O-N 3.04Å; D430-Y448 PolarHBondContact O-OH 3.38Å; D430-T470 WeakPolarHBondContact O-CB 3.39Å; D430-T470 PolarHBondContact O-OG1 3.01Å; D430-L505 HydrophobicContact CB-CD2 4.28Å
431	C	97.3	Very high	95.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	139.7	-179.8	-171.4	0	0	0	0	110.3	L334 V335 L336 T470 L505	L334-C431 PolarHBondContact O-N 2.89Å; V335-C431 CarbonylContact C-O 3.47Å; V335-C431 WeakPolarHBondContact CA-O 3.41Å; L336-C431 PolarHBondContact N-O 3.26Å; C431-T470 CarbonylContact C-O 3.58Å; C431-T470 VanDerWaalsContact CA-O 3.3Å; C431-T470 WeakPolarHBondContact CA-O 3.46Å; C431-L505 HydrophobicContact CB-CD2 4.38Å
432	C	98.2	Very high	95.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136	167.1	-174.4	0	0	0	0	109.9	L336 Y448 T470 L471 V472	L336-C432 CarbonylContact O-C 3.59Å; L336-C432 WeakPolarHBondContact O-CA 3.21Å; L336-C432 PolarHBondContact O-SG 3.02Å; C432-Y448 HydrophobicContact CB-CD1 3.54Å; C432-Y448 HydrophobicContact CB-CD2 3.95Å; C432-Y448 HydrophobicContact CB-CE1 3.8Å; C432-Y448 HydrophobicContact CB-CE2 4.22Å; C432-Y448 HydrophobicContact CB-CG 3.61Å; C432-T470 PolarHBondContact N-O 2.86Å; C432-L471 HydrophobicContact CB-CD2 3.84Å; C432-V472 PolarHBondContact O-N 2.79Å
433	L	98.3	Very high	95.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	109.7	-172.4	173.7	59.3	0	0	0	109.9	V335 L336 K350 N435 V472 V497 V501	V335-L433 HydrophobicContact CG1-CB 3.81Å; V335-L433 HydrophobicContact CG1-CD2 4.2Å; L336-L433 PolarHBondContact O-N 2.89Å; K350-L433 HydrophobicContact CD-CB 4.49Å; K350-L433 HydrophobicContact CD-CD2 3.87Å; K350-L433 HydrophobicContact CD-CG 3.86Å; K350-L433 WeakPolarHBondContact CE-O 3.29Å; K350-L433 HydrophobicContact CG-CD2 3.42Å; K350-L433 VanDerWaalsContact CG-CD2 3.42Å; K350-L433 HydrophobicContact CG-CG 3.75Å; K350-L433 PolarHBondContact NZ-O 3.46Å; L433-N435 HydrophobicContact CD1-CB 4.38Å; L433-V472 WeakPolarHBondContact CA-O 3.49Å; L433-V472 HydrophobicContact CD1-CB 3.71Å; L433-V472 HydrophobicContact CD1-CG1 3.53Å; L433-V497 HydrophobicContact CD1-CG1 4.17Å; L433-V501 HydrophobicContact CD1-CG2 4.12Å; L433-V501 HydrophobicContact CD2-CG2 3.9Å
434	V	97.7	Very high	95.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	76.4	-174.2	-175.1	0	0	0	0	108.9	A436 N442 V444 P445 V472 V473 S474 I477	V434-A436 PolarHBondContact O-N 3.47Å; V434-N442 HydrophobicContact CG1-CB 4.37Å; V434-V444 HydrophobicContact CG2-CB 4.37Å; V434-V444 HydrophobicContact CG2-CG1 4.13Å; V434-P445 HydrophobicContact CB-CG 4.3Å; V434-P445 HydrophobicContact CG2-CG 3.98Å; V434-V472 PolarHBondContact N-O 2.88Å; V434-V473 WeakPolarHBondContact O-CA 3.35Å; V434-S474 PolarHBondContact O-N 3.18Å; V434-I477 HydrophobicContact CB-CD1 4.44Å; V434-I477 HydrophobicContact CG1-CD1 3.88Å
435	N	95.9	Very high	95.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.			trans	-96.2	38.9	-178.1	70.5	-49.2	0	0	0	112.7	K350 L433 V437 P491	K350-N435 WeakPolarHBondContact CA-ND2 3.22Å; K350-N435 VanDerWaalsContact CB-OD1 3.24Å; K350-N435 WeakPolarHBondContact CB-OD1 3.36Å; K350-N435 WeakPolarHBondContact CE-OD1 3.39Å; K350-N435 VanDerWaalsContact CG-OD1 3.24Å; K350-N435 WeakPolarHBondContact CG-OD1 3.34Å; K350-N435 PolarHBondContact N-ND2 3.29Å; L433-N435 HydrophobicContact CD1-CB 4.38Å; N435-V437 PolarHBondContact O-N 3.49Å; N435-P491 HydrophobicContact CB-CB 4.06Å; N435-P491 WeakPolarHBondContact O-CB 3.19Å
436	A	96.3	Very high	95.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.			trans	-58.9	135	176.6	0	0	0	0	0	111.3	F344 K345 V434 R438 D439 S474 I477	F344-A436 CarbonylContact O-C 3.58Å; F344-A436 WeakPolarHBondContact O-CB 3.36Å; K345-A436 HydrophobicContact CD-CB 4.2Å; V434-A436 PolarHBondContact O-N 3.47Å; A436-R438 VanDerWaalsContact C-N 3.28Å; A436-R438 PolarHBondContact O-N 3.29Å; A436-D439 HydrophobicContact CB-CB 4.3Å; A436-S474 WeakPolarHBondContact O-CB 3.23Å; A436-S474 PolarHBondContact O-OG 2.96Å; A436-I477 HydrophobicContact CB-CG2 3.88Å
437	V	95.1	Very high	95.3	Very high	17 Å²	17	12.8 Å²	12.8	10%	0.103	7%	0.067	C	C	.	.	S	Bend	trans	-69.3	-27	-176.1	-70	0	0	0	0	112.8	F344 L349 N435 F476 P491 W492	F344-V437 HydrophobicContact CB-CG2 4.38Å; F344-V437 HydrophobicContact CD1-CG2 4.34Å; F344-V437 VanDerWaalsContact O-CG2 3.27Å; F344-V437 WeakPolarHBondContact O-CG2 3.42Å; F344-V437 PolarHBondContact O-N 3.1Å; L349-V437 HydrophobicContact CD1-CG1 3.54Å; N435-V437 PolarHBondContact O-N 3.49Å; V437-F476 WeakPolarHBondContact O-CB 3.36Å; V437-P491 HydrophobicContact CB-CG 4.46Å; V437-P491 HydrophobicContact CG1-CB 4.26Å; V437-P491 HydrophobicContact CG1-CG 4.03Å; V437-W492 HydrophobicContact CB-CH2 4Å; V437-W492 HydrophobicContact CB-CZ2 3.58Å; V437-W492 HydrophobicContact CG1-CD2 4.46Å; V437-W492 HydrophobicContact CG1-CH2 4.45Å; V437-W492 HydrophobicContact CG1-CZ2 3.78Å; V437-W492 WeakPolarHBondContact O-CH2 2.95Å
438	R	93.8	Very high	95.4	Very high	42 Å²	42	12.5 Å²	12.5	16%	0.158	6%	0.064	C	C	.	.	S	Bend	trans	-158.5	137.6	164.7	-166.4	157.1	-75	-105.1	-0.1	110.2	H157 Y158 P230 F344 A436 F476	H157-R438 HydrophobicContact CB-CB 4.45Å; H157-R438 PolarHBondContact CD2-O 3.23Å; Y158-R438 VanDerWaalsContact CD2-CD 3.43Å; P230-R438 HydrophobicContact CG-CG 4.01Å; F344-R438 PolarHBondContact O-N 3.41Å; A436-R438 VanDerWaalsContact C-N 3.28Å; A436-R438 PolarHBondContact O-N 3.29Å; R438-F476 WeakPolarHBondContact CA-O 3.4Å
439	D	92.5	Very high	95.5	Very high	12 Å²	12	11.8 Å²	11.8	6%	0.064	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-151.5	132.6	177.1	-151.2	-12.5	0	0	0	112.8	Y263 K345 A436 N442 F476 I477 G478	Y263-D439 PolarHBondContact OH-O 2.89Å; Y263-D439 VanDerWaalsContact OH-O 3.1Å; K345-D439 IonicContact NZ-OD1 3.67Å; K345-D439 PolarHBondContact NZ-OD1 3.37Å; K345-D439 IonicContact NZ-OD2 3.95Å; K345-D439 PolarHBondContact NZ-OD2 3.16Å; A436-D439 HydrophobicContact CB-CB 4.3Å; D439-N442 HydrophobicContact CB-CB 4.43Å; D439-N442 WeakPolarHBondContact OD2-CB 3.02Å; D439-N442 PolarHBondContact OD2-ND2 3.34Å; D439-F476 PolarHBondContact N-O 3.25Å; D439-F476 VanDerWaalsContact N-O 3.09Å; D439-I477 HydrophobicContact CB-CB 3.92Å; D439-I477 HydrophobicContact CB-CG2 3.56Å; D439-I477 WeakPolarHBondContact O-CA 3.33Å; D439-G478 PolarHBondContact O-N 3.43Å
440	G	90	Very high	95.5	Very high	1 Å²	1	12 Å²	12	1%	0.01	6%	0.059	C	C	.	.	S	Bend	trans	-63.4	-54.7	-175.9	0	0	0	0	0	112.7	H228 Y263 G478	H228-G440 CarbonylContact O-C 3.59Å; H228-G440 VanDerWaalsContact O-CA 3.31Å; H228-G440 WeakPolarHBondContact O-CA 3.2Å; Y263-G440 WeakPolarHBondContact CE2-O 3.4Å; G440-G478 WeakPolarHBondContact O-CA 3.38Å
441	M	92.3	Very high	95.4	Very high	22 Å²	22	10.7 Å²	10.7	11%	0.108	5%	0.053	C	C	.	.			trans	-149.4	121.1	162.7	179.3	60.5	67.7	0	0	109.9	H259 P301 V302 L443 G478 C479	H259-M441 HydrophobicContact CB-CE 3.92Å; H259-M441 VanDerWaalsContact CD2-CB 3.41Å; H259-M441 WeakPolarHBondContact CD2-CB 3.44Å; P301-M441 HydrophobicContact CB-CE 3.73Å; V302-M441 HydrophobicContact CG1-CB 4.36Å; V302-M441 HydrophobicContact CG1-CG 3.87Å; M441-L443 HydrophobicContact CG-CD2 3.76Å; M441-L443 HydrophobicContact CG-CG 4.28Å; M441-L443 HydrophobicContact SD-CD2 4.47Å; M441-G478 WeakPolarHBondContact CE-O 3.21Å; M441-C479 HydrophobicContact SD-CB 3.55Å; M441-C479 VanDerWaalsContact SD-CB 3.55Å; M441-C479 PolarHBondContact SD-N 2.93Å
442	N	93.7	Very high	95.2	Very high	10 Å²	10	13 Å²	13	5%	0.053	6%	0.062	C	C	.	.			trans	-100.1	113.8	177.2	-163.4	-58.3	0	0	0	110.8	V434 D439 V444 P445 I477 C479	V434-N442 HydrophobicContact CG1-CB 4.37Å; D439-N442 HydrophobicContact CB-CB 4.43Å; D439-N442 WeakPolarHBondContact OD2-CB 3.02Å; D439-N442 PolarHBondContact OD2-ND2 3.34Å; N442-V444 WeakPolarHBondContact OD1-CB 3.22Å; N442-V444 WeakPolarHBondContact OD1-CG2 3.41Å; N442-V444 PolarHBondContact OD1-N 3.43Å; N442-P445 VanDerWaalsContact OD1-CD 3.27Å; N442-P445 WeakPolarHBondContact OD1-CD 3.21Å; N442-I477 HydrophobicContact CB-CB 4.46Å; N442-I477 HydrophobicContact CB-CD1 4.24Å; N442-C479 PolarHBondContact O-SG 3.32Å
443	L	95	Very high	94.9	Very high	44 Å²	44	15.8 Å²	15.8	23%	0.23	8%	0.075	C	C	.	.			trans	-91.6	-0.2	-178.1	-60.4	179.1	0	0	0	113.7	V302 V304 M441 Y446 K447	V302-L443 HydrophobicContact CG1-CD1 4.49Å; V302-L443 HydrophobicContact CG1-CD2 4.33Å; V302-L443 WeakPolarHBondContact O-CD2 3.44Å; V304-L443 HydrophobicContact CG1-CB 4.02Å; V304-L443 HydrophobicContact CG1-CD1 4.27Å; V304-L443 HydrophobicContact CG1-CD2 4.16Å; V304-L443 HydrophobicContact CG1-CG 4.38Å; M441-L443 HydrophobicContact CG-CD2 3.76Å; M441-L443 HydrophobicContact CG-CG 4.28Å; M441-L443 HydrophobicContact SD-CD2 4.47Å; L443-Y446 HydrophobicContact CD2-CD1 3.98Å; L443-Y446 HydrophobicContact CD2-CE1 4.3Å; L443-Y446 HydrophobicContact CD2-CG 4.44Å; L443-Y446 PolarHBondContact O-N 3.18Å; L443-K447 WeakPolarHBondContact O-CG 3.26Å; L443-K447 PolarHBondContact O-N 3.45Å
444	V	96.2	Very high	94.3	Very high	21 Å²	21	16.4 Å²	16.4	13%	0.127	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-43.7	178.8	177.9	0	0	0	0	111.6	I338 Y426 V434 N442 Y446 K447 Y448	I338-V444 HydrophobicContact CB-CG1 3.99Å; I338-V444 WeakPolarHBondContact O-CG2 3.33Å; Y426-V444 HydrophobicContact CE1-CG1 3.79Å; V434-V444 HydrophobicContact CG2-CB 4.37Å; V434-V444 HydrophobicContact CG2-CG1 4.13Å; N442-V444 WeakPolarHBondContact OD1-CB 3.22Å; N442-V444 WeakPolarHBondContact OD1-CG2 3.41Å; N442-V444 PolarHBondContact OD1-N 3.43Å; V444-Y446 VanDerWaalsContact C-N 3.32Å; V444-Y446 PolarHBondContact O-N 3.31Å; V444-K447 PolarHBondContact O-N 3.43Å; V444-Y448 WeakPolarHBondContact O-CB 3.24Å; V444-Y448 PolarHBondContact O-N 2.98Å
445	P	97.2	Very high	93.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.1	-39.2	170.8	-26.3	36.7	0	0	0	113.3	V434 N442 Y448 I449 L471 V473 L483	V434-P445 HydrophobicContact CB-CG 4.3Å; V434-P445 HydrophobicContact CG2-CG 3.98Å; N442-P445 VanDerWaalsContact OD1-CD 3.27Å; N442-P445 WeakPolarHBondContact OD1-CD 3.21Å; P445-Y448 WeakPolarHBondContact O-CB 3.41Å; P445-Y448 PolarHBondContact O-N 3.29Å; P445-I449 WeakPolarHBondContact O-CD1 3.42Å; P445-I449 VanDerWaalsContact O-CG1 3.3Å; P445-I449 WeakPolarHBondContact O-CG1 3.19Å; P445-I449 PolarHBondContact O-N 3.29Å; P445-L471 HydrophobicContact CB-CD1 3.92Å; P445-L471 HydrophobicContact CB-CD2 3.93Å; P445-V473 HydrophobicContact CG-CG1 4.18Å; P445-L483 HydrophobicContact CB-CD1 3.55Å; P445-L483 HydrophobicContact CG-CD1 4.31Å
446	Y	97	Very high	92	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-67.7	-47.3	-178.9	-74.6	-158.8	0	0	0	110.9	V304 L443 V444 Y448 I449 V450 C479 L483 I523	V304-Y446 HydrophobicContact CG1-CD1 4.2Å; V304-Y446 HydrophobicContact CG1-CG 4.45Å; V304-Y446 HydrophobicContact CG2-CD1 4.47Å; L443-Y446 HydrophobicContact CD2-CD1 3.98Å; L443-Y446 HydrophobicContact CD2-CE1 4.3Å; L443-Y446 HydrophobicContact CD2-CG 4.44Å; L443-Y446 PolarHBondContact O-N 3.18Å; V444-Y446 VanDerWaalsContact C-N 3.32Å; V444-Y446 PolarHBondContact O-N 3.31Å; Y446-Y448 VanDerWaalsContact C-N 3.31Å; Y446-Y448 PolarHBondContact O-N 3.37Å; Y446-I449 PolarHBondContact O-N 3.42Å; Y446-V450 WeakPolarHBondContact O-CG2 3.4Å; Y446-V450 PolarHBondContact O-N 2.94Å; Y446-V450 VanDerWaalsContact O-N 3.1Å; Y446-C479 HydrophobicContact CE2-CB 3.73Å; Y446-L483 HydrophobicContact CD2-CD1 4Å; Y446-L483 HydrophobicContact CD2-CD2 4.02Å; Y446-L483 HydrophobicContact CD2-CG 4.34Å; Y446-L483 HydrophobicContact CE2-CD1 3.83Å; Y446-L483 HydrophobicContact CE2-CD2 3.7Å; Y446-L483 HydrophobicContact CE2-CG 3.8Å; Y446-I523 HydrophobicContact CD1-CD1 4.43Å; Y446-I523 HydrophobicContact CD1-CG1 4.02Å; Y446-I523 HydrophobicContact CD1-CG2 4.3Å; Y446-I523 HydrophobicContact CD2-CD1 3.81Å; Y446-I523 HydrophobicContact CD2-CG1 4.02Å; Y446-I523 HydrophobicContact CE1-CG1 4.32Å; Y446-I523 HydrophobicContact CE2-CD1 4.46Å; Y446-I523 HydrophobicContact CE2-CG1 4.3Å; Y446-I523 HydrophobicContact CG-CD1 3.8Å; Y446-I523 HydrophobicContact CG-CG1 3.88Å
447	K	95.9	Very high	90.1	Very high	47 Å²	47	33.5 Å²	33.5	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-43.2	175	-66.5	-174	179.7	-170	0	110.7	D86 V304 L309 Y426 L443 V444 V450 C451	D86-K447 IonicContact OD1-NZ 2.8Å; V304-K447 HydrophobicContact CG1-CG 4.05Å; L309-K447 HydrophobicContact CD1-CG 4.11Å; L309-K447 HydrophobicContact CD2-CB 4.39Å; L309-K447 HydrophobicContact CD2-CD 4.25Å; L309-K447 HydrophobicContact CD2-CG 3.98Å; Y426-K447 HydrophobicContact CD2-CB 4.19Å; Y426-K447 HydrophobicContact CE1-CB 4.33Å; Y426-K447 HydrophobicContact CE2-CB 3.61Å; Y426-K447 HydrophobicContact CE2-CD 4.38Å; L443-K447 WeakPolarHBondContact O-CG 3.26Å; L443-K447 PolarHBondContact O-N 3.45Å; V444-K447 PolarHBondContact O-N 3.43Å; K447-V450 PolarHBondContact O-N 3.08Å; K447-C451 WeakPolarHBondContact O-CB 3.38Å; K447-C451 PolarHBondContact O-N 2.81Å; K447-C451 PolarHBondContact O-SG 3.43Å
448	Y	96.7	Very high	88.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.4	-52.4	173.8	173.8	-114.8	0	0	0	113.1	Y426 A429 D430 C432 V444 P445 Y446 V450 C451 R452 T470 L471	Y426-Y448 HydrophobicContact CD1-CD2 4.23Å; Y426-Y448 HydrophobicContact CD1-CG 4.46Å; Y426-Y448 VanDerWaalsContact O-CD2 3.27Å; Y426-Y448 WeakPolarHBondContact O-CD2 3.49Å; Y426-Y448 WeakPolarHBondContact O-CE2 3.4Å; A429-Y448 HydrophobicContact CB-CE2 4Å; A429-Y448 WeakPolarHBondContact O-CE2 3.46Å; A429-Y448 PolarHBondContact O-OH 3.46Å; D430-Y448 PolarHBondContact O-OH 3.38Å; C432-Y448 HydrophobicContact CB-CD1 3.54Å; C432-Y448 HydrophobicContact CB-CD2 3.95Å; C432-Y448 HydrophobicContact CB-CE1 3.8Å; C432-Y448 HydrophobicContact CB-CE2 4.22Å; C432-Y448 HydrophobicContact CB-CG 3.61Å; V444-Y448 WeakPolarHBondContact O-CB 3.24Å; V444-Y448 PolarHBondContact O-N 2.98Å; P445-Y448 WeakPolarHBondContact O-CB 3.41Å; P445-Y448 PolarHBondContact O-N 3.29Å; Y446-Y448 VanDerWaalsContact C-N 3.31Å; Y446-Y448 PolarHBondContact O-N 3.37Å; Y448-V450 PolarHBondContact O-N 2.91Å; Y448-C451 PolarHBondContact O-N 3.19Å; Y448-R452 HydrophobicContact CD2-CG 3.85Å; Y448-R452 HydrophobicContact CE1-CG 4.3Å; Y448-R452 HydrophobicContact CE2-CG 3.43Å; Y448-R452 VanDerWaalsContact CE2-CG 3.43Å; Y448-R452 HydrophobicContact CG-CG 4.43Å; Y448-R452 WeakPolarHBondContact O-CB 3.35Å; Y448-R452 VanDerWaalsContact O-CG 3.32Å; Y448-R452 WeakPolarHBondContact O-CG 3.29Å; Y448-R452 PolarHBondContact O-N 3.02Å; Y448-T470 VanDerWaalsContact CE1-O 3.28Å; Y448-T470 WeakPolarHBondContact CE1-O 3.43Å; Y448-T470 PolarHBondContact OH-N 3.43Å; Y448-L471 HydrophobicContact CD1-CD2 3.72Å; Y448-L471 HydrophobicContact CD1-CG 4.27Å; Y448-L471 HydrophobicContact CE1-CD2 4.11Å; Y448-L471 HydrophobicContact CE1-CG 4.41Å
449	I	95.9	Very high	85.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-45.8	-178.7	-69.7	154.9	0	0	0	111.3	P445 Y446 C451 R452 Q453 L471 L483 H516 H519 Y520 I523	P445-I449 WeakPolarHBondContact O-CD1 3.42Å; P445-I449 VanDerWaalsContact O-CG1 3.3Å; P445-I449 WeakPolarHBondContact O-CG1 3.19Å; P445-I449 PolarHBondContact O-N 3.29Å; Y446-I449 PolarHBondContact O-N 3.42Å; I449-C451 PolarHBondContact O-N 2.91Å; I449-R452 PolarHBondContact O-N 2.98Å; I449-Q453 PolarHBondContact O-N 3.19Å; I449-Q453 VanDerWaalsContact O-N 3.1Å; I449-L471 HydrophobicContact CD1-CD1 3.58Å; I449-L471 HydrophobicContact CG1-CD1 4.15Å; I449-L483 HydrophobicContact CD1-CD2 3.81Å; I449-H516 PolarHBondContact O-CE1 2.83Å; I449-H519 HydrophobicContact CD1-CB 3.65Å; I449-H519 HydrophobicContact CG1-CB 4.12Å; I449-H519 HydrophobicContact CG2-CB 4.07Å; I449-Y520 HydrophobicContact CG2-CD2 4.29Å; I449-I523 HydrophobicContact CB-CD1 3.81Å; I449-I523 HydrophobicContact CD1-CD1 3.51Å; I449-I523 HydrophobicContact CG1-CD1 4.28Å; I449-I523 HydrophobicContact CG2-CD1 3.85Å
450	V	95	Very high	83.5	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-42.5	179.2	177.7	0	0	0	0	111.4	V304 M306 L309 Y446 K447 Y448 R452 Q453 G454 I523	V304-V450 HydrophobicContact CG2-CG2 4.19Å; M306-V450 HydrophobicContact CE-CG1 4.12Å; M306-V450 HydrophobicContact CE-CG2 3.9Å; M306-V450 HydrophobicContact SD-CG1 4.33Å; M306-V450 HydrophobicContact SD-CG2 3.56Å; M306-V450 VanDerWaalsContact SD-CG2 3.56Å; L309-V450 HydrophobicContact CB-CG1 3.84Å; L309-V450 HydrophobicContact CD1-CB 3.95Å; L309-V450 HydrophobicContact CD1-CG1 3.97Å; L309-V450 HydrophobicContact CD1-CG2 4.17Å; Y446-V450 WeakPolarHBondContact O-CG2 3.4Å; Y446-V450 PolarHBondContact O-N 2.94Å; Y446-V450 VanDerWaalsContact O-N 3.1Å; K447-V450 PolarHBondContact O-N 3.08Å; Y448-V450 PolarHBondContact O-N 2.91Å; V450-R452 VanDerWaalsContact C-N 3.32Å; V450-R452 PolarHBondContact O-N 3.37Å; V450-Q453 PolarHBondContact O-N 3.01Å; V450-G454 PolarHBondContact O-N 2.7Å; V450-I523 HydrophobicContact CG2-CG2 3.91Å
451	C	94.5	Very high	81.4	Confident	4 Å²	4	44 Å²	44	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-31.5	176.7	-63.8	0	0	0	0	113.3	K447 Y448 I449 G454	K447-C451 WeakPolarHBondContact O-CB 3.38Å; K447-C451 PolarHBondContact O-N 2.81Å; K447-C451 PolarHBondContact O-SG 3.43Å; Y448-C451 PolarHBondContact O-N 3.19Å; I449-C451 PolarHBondContact O-N 2.91Å; C451-G454 PolarHBondContact O-N 2.66Å
452	R	93	Very high	79	Confident	48 Å²	48	46.9 Å²	46.9	18%	0.181	24%	0.237	C	C	.	.	H	α-helix	trans	-73.8	-27.7	176	-72.5	-64.6	-60.8	-175.8	-5.9	113.8	Y426 A427 Y448 I449 V450 G454 T468	Y426-R452 WeakPolarHBondContact O-CD 3.48Å; A427-R452 VanDerWaalsContact O-CD 3.29Å; A427-R452 WeakPolarHBondContact O-CD 3.17Å; A427-R452 PolarHBondContact O-NH1 3.23Å; Y448-R452 HydrophobicContact CD2-CG 3.85Å; Y448-R452 HydrophobicContact CE1-CG 4.3Å; Y448-R452 HydrophobicContact CE2-CG 3.43Å; Y448-R452 VanDerWaalsContact CE2-CG 3.43Å; Y448-R452 HydrophobicContact CG-CG 4.43Å; Y448-R452 WeakPolarHBondContact O-CB 3.35Å; Y448-R452 VanDerWaalsContact O-CG 3.32Å; Y448-R452 WeakPolarHBondContact O-CG 3.29Å; Y448-R452 PolarHBondContact O-N 3.02Å; I449-R452 PolarHBondContact O-N 2.98Å; V450-R452 VanDerWaalsContact C-N 3.32Å; V450-R452 PolarHBondContact O-N 3.37Å; R452-G454 VanDerWaalsContact C-N 3.32Å; R452-T468 VanDerWaalsContact CZ-O 3.31Å; R452-T468 PolarHBondContact NE-O 3.21Å; R452-T468 PolarHBondContact NH2-O 3.02Å; R452-T468 PolarHBondContact NH2-OG1 2.93Å
453	Q	91.8	Very high	76.8	Confident	59 Å²	59	52.8 Å²	52.8	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-33.8	171.2	177	70.8	-12.4	0	0	111.9	I449 V450 R467 H516 Y520	I449-Q453 PolarHBondContact O-N 3.19Å; I449-Q453 VanDerWaalsContact O-N 3.1Å; V450-Q453 PolarHBondContact O-N 3.01Å; Q453-R467 WeakPolarHBondContact O-CD 3.43Å; Q453-R467 PolarHBondContact O-NE 3.28Å; Q453-H516 PolarHBondContact OE1-NE2 2.66Å; Q453-Y520 HydrophobicContact CB-CD2 3.62Å; Q453-Y520 HydrophobicContact CB-CE2 3.6Å; Q453-Y520 HydrophobicContact CB-CG 4.39Å; Q453-Y520 HydrophobicContact CG-CD1 4.46Å; Q453-Y520 HydrophobicContact CG-CD2 3.81Å; Q453-Y520 HydrophobicContact CG-CE1 4.19Å; Q453-Y520 HydrophobicContact CG-CE2 3.49Å; Q453-Y520 VanDerWaalsContact CG-CE2 3.49Å; Q453-Y520 HydrophobicContact CG-CG 4.29Å
454	G	85.1	Confident	74.8	Confident	14 Å²	14	56.8 Å²	56.8	14%	0.144	30%	0.3	C	S	.	.			trans	72.6	167.2	-177.9	0	0	0	0	0	114	V450 C451 R452	V450-G454 PolarHBondContact O-N 2.7Å; C451-G454 PolarHBondContact O-N 2.66Å; R452-G454 VanDerWaalsContact C-N 3.32Å
455	T	78.6	Confident	73.3	Confident	13 Å²	13	59 Å²	59	8%	0.08	32%	0.316	C	S	.	.			trans	-93.9	158.3	170.9	69.1	0	0	0	0	111.4	E310 L313 S457 N458	E310-T455 HydrophobicContact CB-CG2 3.8Å; E310-T455 HydrophobicContact CG-CG2 4.14Å; E310-T455 WeakPolarHBondContact O-CG2 3.43Å; L313-T455 HydrophobicContact CB-CG2 4.45Å; L313-T455 HydrophobicContact CD2-CG2 4.3Å; T455-S457 PolarHBondContact O-N 3.27Å; T455-S457 PolarHBondContact OG1-OG 3.33Å; T455-N458 PolarHBondContact O-N 3.39Å; T455-N458 WeakPolarHBondContact OG1-CB 3.47Å; T455-N458 PolarHBondContact OG1-N 3.34Å
456	R	67.3	Low	72.1	Confident	258 Å²	258	61.8 Å²	61.8	97%	0.974	34%	0.335	S	S	*	.	S	Bend	trans	-65	-20.7	176.3	-56	179	84.4	164.4	5.9	113.1
457	S	56.5	Low	71.6	Confident	87 Å²	87	64.3 Å²	64.3	61%	0.608	34%	0.344	S	S	*	.	S	Bend	trans	-85.7	-28.8	178.6	46.2	0	0	0	0	113.6	T455 K459	T455-S457 PolarHBondContact O-N 3.27Å; T455-S457 PolarHBondContact OG1-OG 3.33Å; S457-K459 VanDerWaalsContact C-N 3.35Å; S457-K459 PolarHBondContact O-N 2.82Å
458	N	51.6	Low	71.4	Confident	23 Å²	23	62.7 Å²	62.7	12%	0.123	34%	0.338	C	S	.	.			trans	-79.4	76.4	-172.2	-117.9	-31.2	0	0	0	113.2	L313 T455 A460 V461	L313-N458 PolarHBondContact O-ND2 3.4Å; T455-N458 PolarHBondContact O-N 3.39Å; T455-N458 WeakPolarHBondContact OG1-CB 3.47Å; T455-N458 PolarHBondContact OG1-N 3.34Å; N458-A460 PolarHBondContact O-N 3.43Å; N458-V461 PolarHBondContact O-N 2.91Å
459	K	44.7	Very low	71.3	Confident	180 Å²	180	62.7 Å²	62.7	78%	0.783	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-55.6	-17.8	173.3	-69.7	-173.9	178.4	-178.9	0	114	S457 V461 V462	S457-K459 VanDerWaalsContact C-N 3.35Å; S457-K459 PolarHBondContact O-N 2.82Å; K459-V461 PolarHBondContact O-N 3Å; K459-V461 VanDerWaalsContact O-N 3.14Å; K459-V462 PolarHBondContact O-N 3.26Å
460	A	45.5	Very low	71.3	Confident	41 Å²	41	62.9 Å²	62.9	34%	0.339	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-59.3	-17.9	172.6	0	0	0	0	0	114.4	A319 N458	A319-A460 HydrophobicContact CB-CB 4.49Å; N458-A460 PolarHBondContact O-N 3.43Å
461	V	47	Very low	71.4	Confident	49 Å²	49	63 Å²	63	30%	0.297	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-122.3	21.9	172	-154.2	0	0	0	0	110.7	N458 K459 R467	N458-V461 PolarHBondContact O-N 2.91Å; K459-V461 PolarHBondContact O-N 3Å; K459-V461 VanDerWaalsContact O-N 3.14Å; V461-R467 PolarHBondContact O-NH1 3.25Å; V461-R467 PolarHBondContact O-NH2 3.01Å
462	V	42	Very low	71.6	Confident	83 Å²	83	62.8 Å²	62.8	50%	0.503	34%	0.338	S	S	.	.			trans	-111.9	62.9	175.9	-170.4	0	0	0	0	109.4	K459	K459-V462 PolarHBondContact O-N 3.26Å
463	D	47.5	Very low	71.8	Confident	133 Å²	133	60.5 Å²	60.5	71%	0.711	33%	0.33	S	S	*	.	S	Bend	trans	-71.4	163.7	135.7	-107.5	-44.4	0	0	0	109.1	S465	D463-S465 PolarHBondContact O-N 2.86Å
464	S	52.4	Low	72.1	Confident	129 Å²	129	57.7 Å²	57.7	90%	0.902	32%	0.316	S	S	*	.	S	Bend	trans	-73	11.1	-178.6	55.8	0	0	0	0	115
465	S	63.9	Low	72.6	Confident	67 Å²	67	61.4 Å²	61.4	47%	0.469	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-70.6	141.6	179.3	53	0	0	0	0	112.8	D463	D463-S465 PolarHBondContact O-N 2.86Å
466	P	73.4	Confident	73.4	Confident	59 Å²	59	63.3 Å²	63.3	38%	0.383	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-62.8	157.5	176.1	28	-35.3	0	0	0	111.9	Q513	P466-Q513 HydrophobicContact CB-CB 4.34Å; P466-Q513 HydrophobicContact CB-CG 4.1Å
467	R	85.9	Confident	74.7	Confident	54 Å²	54	51.1 Å²	51.1	20%	0.204	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-79	126.9	175.8	-61.6	-55.8	-163.7	-138.1	16.1	110.1	Q453 V461 H516	Q453-R467 WeakPolarHBondContact O-CD 3.43Å; Q453-R467 PolarHBondContact O-NE 3.28Å; V461-R467 PolarHBondContact O-NH1 3.25Å; V461-R467 PolarHBondContact O-NH2 3.01Å; R467-H516 VanDerWaalsContact C-CD2 3.47Å; R467-H516 VanDerWaalsContact CB-CD2 3.44Å; R467-H516 WeakPolarHBondContact CB-CD2 3.49Å; R467-H516 WeakPolarHBondContact CB-NE2 3.42Å; R467-H516 PolarHBondContact O-CD2 3.29Å; R467-H516 VanDerWaalsContact O-CD2 3.32Å
468	T	92.4	Very high	76.4	Confident	12 Å²	12	47.1 Å²	47.1	7%	0.074	26%	0.264	C	S	.	.			trans	-138.2	139.1	-173.3	59.1	0	0	0	0	111	R452 K512 Q513	R452-T468 VanDerWaalsContact CZ-O 3.31Å; R452-T468 PolarHBondContact NE-O 3.21Å; R452-T468 PolarHBondContact NH2-O 3.02Å; R452-T468 PolarHBondContact NH2-OG1 2.93Å; T468-K512 HydrophobicContact CG2-CB 3.82Å; T468-Q513 HydrophobicContact CG2-CB 4.32Å
469	S	92.7	Very high	78.4	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.			trans	-142.7	132.8	171.4	64.2	0	0	0	0	109	H516	S469-H516 VanDerWaalsContact CB-ND1 3.27Å; S469-H516 WeakPolarHBondContact CB-ND1 3.33Å; S469-H516 PolarHBondContact OG-ND1 3.22Å
470	T	96.4	Very high	80.7	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.9	176.5	-21.6	0	0	0	0	110.1	D430 C431 C432 Y448 A504 M507 K512	D430-T470 WeakPolarHBondContact O-CB 3.39Å; D430-T470 PolarHBondContact O-OG1 3.01Å; C431-T470 CarbonylContact C-O 3.58Å; C431-T470 VanDerWaalsContact CA-O 3.3Å; C431-T470 WeakPolarHBondContact CA-O 3.46Å; C432-T470 PolarHBondContact N-O 2.86Å; Y448-T470 VanDerWaalsContact CE1-O 3.28Å; Y448-T470 WeakPolarHBondContact CE1-O 3.43Å; Y448-T470 PolarHBondContact OH-N 3.43Å; T470-A504 HydrophobicContact CG2-CB 3.56Å; T470-M507 HydrophobicContact CG2-CE 4.35Å; T470-M507 HydrophobicContact CG2-SD 4.08Å; T470-K512 HydrophobicContact CG2-CG 4.47Å
471	L	97.5	Very high	82.9	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.8	-175.3	-81.4	-177.9	0	0	0	111.1	C432 P445 Y448 I449 V473 L483 A486 I487	C432-L471 HydrophobicContact CB-CD2 3.84Å; P445-L471 HydrophobicContact CB-CD1 3.92Å; P445-L471 HydrophobicContact CB-CD2 3.93Å; Y448-L471 HydrophobicContact CD1-CD2 3.72Å; Y448-L471 HydrophobicContact CD1-CG 4.27Å; Y448-L471 HydrophobicContact CE1-CD2 4.11Å; Y448-L471 HydrophobicContact CE1-CG 4.41Å; I449-L471 HydrophobicContact CD1-CD1 3.58Å; I449-L471 HydrophobicContact CG1-CD1 4.15Å; L471-V473 HydrophobicContact CB-CG1 4.31Å; L471-V473 HydrophobicContact CD2-CG1 4.46Å; L471-L483 HydrophobicContact CD1-CD1 4.01Å; L471-A486 HydrophobicContact CB-CB 3.72Å; L471-A486 HydrophobicContact CD1-CB 4.32Å; L471-I487 PolarHBondContact O-N 2.86Å
472	V	98.2	Very high	85	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.5	162.7	-179.9	0	0	0	0	106.9	C432 L433 V434 I487 V489 A500 V501 A504	C432-V472 PolarHBondContact O-N 2.79Å; L433-V472 WeakPolarHBondContact CA-O 3.49Å; L433-V472 HydrophobicContact CD1-CB 3.71Å; L433-V472 HydrophobicContact CD1-CG1 3.53Å; V434-V472 PolarHBondContact N-O 2.88Å; V472-I487 WeakPolarHBondContact CA-O 3.28Å; V472-I487 HydrophobicContact CG2-CB 4.41Å; V472-V489 HydrophobicContact CG1-CB 4.49Å; V472-V489 HydrophobicContact CG1-CG1 3.81Å; V472-V489 HydrophobicContact CG1-CG2 3.78Å; V472-A500 HydrophobicContact CG1-CB 3.76Å; V472-A500 HydrophobicContact CG2-CB 4.08Å; V472-V501 HydrophobicContact CG2-CG2 4.24Å; V472-A504 HydrophobicContact CG2-CB 4.01Å
473	V	97.7	Very high	87.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.1	-172.8	-63.5	0	0	0	0	111.1	V434 P445 L471 I477 A486 I487 R488 V489	V434-V473 WeakPolarHBondContact O-CA 3.35Å; P445-V473 HydrophobicContact CG-CG1 4.18Å; L471-V473 HydrophobicContact CB-CG1 4.31Å; L471-V473 HydrophobicContact CD2-CG1 4.46Å; V473-I477 HydrophobicContact CB-CD1 4.04Å; V473-I477 HydrophobicContact CG1-CD1 4.42Å; V473-A486 HydrophobicContact CG1-CB 4.38Å; V473-A486 HydrophobicContact CG2-CB 3.65Å; V473-I487 PolarHBondContact N-O 3Å; V473-R488 HydrophobicContact CG2-CG 4.26Å; V473-R488 CarbonylContact O-C 3.57Å; V473-R488 VanDerWaalsContact O-CA 3.31Å; V473-R488 WeakPolarHBondContact O-CA 3.38Å; V473-V489 WeakPolarHBondContact O-CG2 3.47Å; V473-V489 PolarHBondContact O-N 3.08Å
474	S	97.8	Very high	89.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	147.3	169	163.5	0	0	0	0	110.8	V434 A436 F476 S480 V489	V434-S474 PolarHBondContact O-N 3.18Å; A436-S474 WeakPolarHBondContact O-CB 3.23Å; A436-S474 PolarHBondContact O-OG 2.96Å; S474-F476 PolarHBondContact OG-N 3.44Å; S474-S480 WeakPolarHBondContact O-CB 3.46Å; S474-S480 PolarHBondContact O-OG 3.36Å; S474-V489 CarbonylContact C-O 3.57Å; S474-V489 WeakPolarHBondContact CA-O 3.47Å
475	E	95.5	Very high	91.4	Very high	93 Å²	93	26 Å²	26	44%	0.435	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.6	169.1	64.1	-167.5	165.4	0	0	112.9	I477 V489 N490	E475-I477 PolarHBondContact O-N 2.59Å; E475-V489 PolarHBondContact N-O 2.89Å; E475-N490 WeakPolarHBondContact OE1-CB 3.41Å; E475-N490 PolarHBondContact OE1-ND2 3.15Å
476	F	95.5	Very high	92.9	Very high	53 Å²	53	23.3 Å²	23.3	23%	0.232	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	17.3	-175.2	-55.2	-78.8	0	0	0	114.9	V437 R438 D439 S474 N490 P491 W492	V437-F476 WeakPolarHBondContact O-CB 3.36Å; R438-F476 WeakPolarHBondContact CA-O 3.4Å; D439-F476 PolarHBondContact N-O 3.25Å; D439-F476 VanDerWaalsContact N-O 3.09Å; S474-F476 PolarHBondContact OG-N 3.44Å; F476-N490 WeakPolarHBondContact CE2-ND2 3.35Å; F476-P491 HydrophobicContact CD2-CG 3.99Å; F476-P491 HydrophobicContact CE2-CG 4.45Å; F476-W492 HydrophobicContact CD2-CE3 4.44Å; F476-W492 HydrophobicContact CD2-CH2 4.43Å; F476-W492 AromaticContact CD2-CZ3 3.68Å; F476-W492 HydrophobicContact CD2-CZ3 3.68Å; F476-W492 HydrophobicContact CE1-CZ3 4.41Å; F476-W492 HydrophobicContact CE2-CE3 4.01Å; F476-W492 AromaticContact CE2-CZ3 3.47Å; F476-W492 HydrophobicContact CE2-CZ3 3.47Å; F476-W492 VanDerWaalsContact CE2-CZ3 3.47Å; F476-W492 HydrophobicContact CG-CZ3 4.26Å; F476-W492 AromaticContact CZ-CZ3 3.88Å; F476-W492 HydrophobicContact CZ-CZ3 3.88Å
477	I	94.4	Very high	94.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-113	138.8	176.9	71.4	-178.1	0	0	0	111.1	V434 A436 D439 N442 V473 E475 C479 S480	V434-I477 HydrophobicContact CB-CD1 4.44Å; V434-I477 HydrophobicContact CG1-CD1 3.88Å; A436-I477 HydrophobicContact CB-CG2 3.88Å; D439-I477 HydrophobicContact CB-CB 3.92Å; D439-I477 HydrophobicContact CB-CG2 3.56Å; D439-I477 WeakPolarHBondContact O-CA 3.33Å; N442-I477 HydrophobicContact CB-CB 4.46Å; N442-I477 HydrophobicContact CB-CD1 4.24Å; V473-I477 HydrophobicContact CB-CD1 4.04Å; V473-I477 HydrophobicContact CG1-CD1 4.42Å; E475-I477 PolarHBondContact O-N 2.59Å; I477-C479 VanDerWaalsContact CD1-SG 3.52Å; I477-C479 PolarHBondContact O-N 3.06Å; I477-S480 VanDerWaalsContact O-CB 3.22Å; I477-S480 WeakPolarHBondContact O-CB 3.21Å; I477-S480 PolarHBondContact O-N 2.64Å
478	G	92.3	Very high	94.6	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.2	-171.7	0	0	0	0	0	116.9	D439 G440 M441	D439-G478 PolarHBondContact O-N 3.43Å; G440-G478 WeakPolarHBondContact O-CA 3.38Å; M441-G478 WeakPolarHBondContact CE-O 3.21Å
479	C	93.9	Very high	94.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-11.7	173.9	56.7	0	0	0	0	114	M441 N442 Y446 I477 S482 L483	M441-C479 HydrophobicContact SD-CB 3.55Å; M441-C479 VanDerWaalsContact SD-CB 3.55Å; M441-C479 PolarHBondContact SD-N 2.93Å; N442-C479 PolarHBondContact O-SG 3.32Å; Y446-C479 HydrophobicContact CE2-CB 3.73Å; I477-C479 VanDerWaalsContact CD1-SG 3.52Å; I477-C479 PolarHBondContact O-N 3.06Å; C479-S482 PolarHBondContact O-N 2.94Å; C479-L483 HydrophobicContact CB-CD1 4.16Å; C479-L483 WeakPolarHBondContact O-CG 3.38Å; C479-L483 PolarHBondContact O-N 2.93Å; C479-L483 VanDerWaalsContact O-N 3.09Å
480	S	93.6	Very high	95.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-40.3	-177.4	-155.6	0	0	0	0	113.3	S474 I477 R488	S474-S480 WeakPolarHBondContact O-CB 3.46Å; S474-S480 PolarHBondContact O-OG 3.36Å; I477-S480 VanDerWaalsContact O-CB 3.22Å; I477-S480 WeakPolarHBondContact O-CB 3.21Å; I477-S480 PolarHBondContact O-N 2.64Å; S480-R488 VanDerWaalsContact O-CZ 3.29Å; S480-R488 PolarHBondContact O-NE 2.84Å; S480-R488 PolarHBondContact O-NH2 2.93Å
481	P	91	Very high	95.2	Very high	80 Å²	80	27.5 Å²	27.5	52%	0.519	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-43.7	173	-25.3	36.5	0	0	0	113.1	R488	P481-R488 PolarHBondContact O-NH2 2.89Å
482	S	91.3	Very high	95.1	Very high	21 Å²	21	34 Å²	34	15%	0.147	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-38.9	-178.5	-64	0	0	0	0	113.7	C479 S484 Y522	C479-S482 PolarHBondContact O-N 2.94Å; S482-S484 VanDerWaalsContact C-N 3.28Å; S482-S484 PolarHBondContact O-N 3.21Å; S482-Y522 PolarHBondContact OG-OH 3.15Å
483	L	93.8	Very high	95.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.			trans	-86.6	57.4	-171	-65.3	175.7	0	0	0	113.3	P445 Y446 I449 L471 C479 G485 A486 H519 I523	P445-L483 HydrophobicContact CB-CD1 3.55Å; P445-L483 HydrophobicContact CG-CD1 4.31Å; Y446-L483 HydrophobicContact CD2-CD1 4Å; Y446-L483 HydrophobicContact CD2-CD2 4.02Å; Y446-L483 HydrophobicContact CD2-CG 4.34Å; Y446-L483 HydrophobicContact CE2-CD1 3.83Å; Y446-L483 HydrophobicContact CE2-CD2 3.7Å; Y446-L483 HydrophobicContact CE2-CG 3.8Å; I449-L483 HydrophobicContact CD1-CD2 3.81Å; L471-L483 HydrophobicContact CD1-CD1 4.01Å; C479-L483 HydrophobicContact CB-CD1 4.16Å; C479-L483 WeakPolarHBondContact O-CG 3.38Å; C479-L483 PolarHBondContact O-N 2.93Å; C479-L483 VanDerWaalsContact O-N 3.09Å; L483-G485 PolarHBondContact O-N 3.3Å; L483-A486 HydrophobicContact CB-CB 4.28Å; L483-A486 VanDerWaalsContact O-CB 3.28Å; L483-A486 WeakPolarHBondContact O-CB 3.43Å; L483-A486 PolarHBondContact O-N 3.23Å; L483-H519 PolarHBondContact O-NE2 3Å; L483-H519 VanDerWaalsContact O-NE2 3.15Å; L483-I523 HydrophobicContact CD2-CD1 4.22Å
484	S	91	Very high	95	Very high	85 Å²	85	39.3 Å²	39.3	59%	0.594	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-24.5	-174.2	61.8	0	0	0	0	117.1	S482	S482-S484 VanDerWaalsContact C-N 3.28Å; S482-S484 PolarHBondContact O-N 3.21Å
485	G	91.5	Very high	95	Very high	7 Å²	7	43.6 Å²	43.6	7%	0.072	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.5	174.5	0	0	0	0	0	115.9	L483 R515 H519	L483-G485 PolarHBondContact O-N 3.3Å; G485-R515 VanDerWaalsContact O-CD 3.25Å; G485-R515 WeakPolarHBondContact O-CD 3.4Å; G485-R515 WeakPolarHBondContact O-CG 3.49Å; G485-R515 PolarHBondContact O-NH1 3.21Å; G485-H519 VanDerWaalsContact C-NE2 3.26Å; G485-H519 WeakPolarHBondContact CA-NE2 3.46Å; G485-H519 PolarHBondContact N-NE2 2.89Å
486	A	96.1	Very high	95.1	Very high	11 Å²	11	40.6 Å²	40.6	9%	0.091	22%	0.217	C	C	.	.	S	Bend	trans	-85.5	155.3	-176.6	0	0	0	0	0	111.7	L471 V473 L483 R488 H519	L471-A486 HydrophobicContact CB-CB 3.72Å; L471-A486 HydrophobicContact CD1-CB 4.32Å; V473-A486 HydrophobicContact CG1-CB 4.38Å; V473-A486 HydrophobicContact CG2-CB 3.65Å; L483-A486 HydrophobicContact CB-CB 4.28Å; L483-A486 VanDerWaalsContact O-CB 3.28Å; L483-A486 WeakPolarHBondContact O-CB 3.43Å; L483-A486 PolarHBondContact O-N 3.23Å; A486-R488 PolarHBondContact O-N 2.8Å; A486-H519 PolarHBondContact N-CE1 3.39Å; A486-H519 VanDerWaalsContact N-CE1 3.34Å; A486-H519 PolarHBondContact N-NE2 3.13Å
487	I	97.5	Very high	95.3	Very high	34 Å²	34	38.1 Å²	38.1	17%	0.174	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112.3	168.2	-53	177.3	0	0	0	106.7	L471 V472 V473 A500 A504 M507	L471-I487 PolarHBondContact O-N 2.86Å; V472-I487 WeakPolarHBondContact CA-O 3.28Å; V472-I487 HydrophobicContact CG2-CB 4.41Å; V473-I487 PolarHBondContact N-O 3Å; I487-A500 HydrophobicContact CG2-CB 3.64Å; I487-A504 HydrophobicContact CD1-CB 4.04Å; I487-M507 HydrophobicContact CD1-CE 4.04Å; I487-M507 HydrophobicContact CG1-CE 4.46Å
488	R	97.5	Very high	95.4	Very high	125 Å²	125	38.1 Å²	38.1	47%	0.472	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139	175.5	-64.4	-173.1	-176.2	130.8	2	109.6	V473 S480 P481 A486	V473-R488 HydrophobicContact CG2-CG 4.26Å; V473-R488 CarbonylContact O-C 3.57Å; V473-R488 VanDerWaalsContact O-CA 3.31Å; V473-R488 WeakPolarHBondContact O-CA 3.38Å; S480-R488 VanDerWaalsContact O-CZ 3.29Å; S480-R488 PolarHBondContact O-NE 2.84Å; S480-R488 PolarHBondContact O-NH2 2.93Å; P481-R488 PolarHBondContact O-NH2 2.89Å; A486-R488 PolarHBondContact O-N 2.8Å
489	V	97.8	Very high	95.7	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148	178.6	-68.8	0	0	0	0	110.8	V472 V473 S474 E475 V497 A500	V472-V489 HydrophobicContact CG1-CB 4.49Å; V472-V489 HydrophobicContact CG1-CG1 3.81Å; V472-V489 HydrophobicContact CG1-CG2 3.78Å; V473-V489 WeakPolarHBondContact O-CG2 3.47Å; V473-V489 PolarHBondContact O-N 3.08Å; S474-V489 CarbonylContact C-O 3.57Å; S474-V489 WeakPolarHBondContact CA-O 3.47Å; E475-V489 PolarHBondContact N-O 2.89Å; V489-V497 HydrophobicContact CB-CG2 3.98Å; V489-V497 HydrophobicContact CG1-CG2 4.49Å; V489-V497 HydrophobicContact CG2-CG2 3.96Å; V489-A500 HydrophobicContact CG1-CB 3.34Å
490	N	97.6	Very high	95.9	Very high	51 Å²	51	43.5 Å²	43.5	27%	0.273	23%	0.231	S	C	.	.			trans	-79	122.3	160.8	-170.4	-69.4	0	0	0	107.9	E475 F476 W492 D493 V497	E475-N490 WeakPolarHBondContact OE1-CB 3.41Å; E475-N490 PolarHBondContact OE1-ND2 3.15Å; F476-N490 WeakPolarHBondContact CE2-ND2 3.35Å; N490-W492 VanDerWaalsContact C-N 3.26Å; N490-W492 PolarHBondContact O-N 3.33Å; N490-W492 WeakPolarHBondContact OD1-CB 3.48Å; N490-W492 PolarHBondContact OD1-N 3.31Å; N490-W492 VanDerWaalsContact OD1-N 3.11Å; N490-D493 HydrophobicContact CB-CB 4.12Å; N490-D493 PolarHBondContact O-N 3.12Å; N490-V497 WeakPolarHBondContact O-CG2 3.19Å
491	P	96.8	Very high	96.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.1	-172.6	30.1	-34.1	0	0	0	113.9	N435 V437 F476	N435-P491 HydrophobicContact CB-CB 4.06Å; N435-P491 WeakPolarHBondContact O-CB 3.19Å; V437-P491 HydrophobicContact CB-CG 4.46Å; V437-P491 HydrophobicContact CG1-CB 4.26Å; V437-P491 HydrophobicContact CG1-CG 4.03Å; F476-P491 HydrophobicContact CD2-CG 3.99Å; F476-P491 HydrophobicContact CE2-CG 4.45Å
492	W	96.4	Very high	96.4	Very high	141 Å²	141	40.2 Å²	40.2	53%	0.534	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-19.8	172.7	-63.4	-78.4	0	0	0	112.5	V437 F476 N490 V494	V437-W492 HydrophobicContact CB-CH2 4Å; V437-W492 HydrophobicContact CB-CZ2 3.58Å; V437-W492 HydrophobicContact CG1-CD2 4.46Å; V437-W492 HydrophobicContact CG1-CH2 4.45Å; V437-W492 HydrophobicContact CG1-CZ2 3.78Å; V437-W492 WeakPolarHBondContact O-CH2 2.95Å; F476-W492 HydrophobicContact CD2-CE3 4.44Å; F476-W492 HydrophobicContact CD2-CH2 4.43Å; F476-W492 AromaticContact CD2-CZ3 3.68Å; F476-W492 HydrophobicContact CD2-CZ3 3.68Å; F476-W492 HydrophobicContact CE1-CZ3 4.41Å; F476-W492 HydrophobicContact CE2-CE3 4.01Å; F476-W492 AromaticContact CE2-CZ3 3.47Å; F476-W492 HydrophobicContact CE2-CZ3 3.47Å; F476-W492 VanDerWaalsContact CE2-CZ3 3.47Å; F476-W492 HydrophobicContact CG-CZ3 4.26Å; F476-W492 AromaticContact CZ-CZ3 3.88Å; F476-W492 HydrophobicContact CZ-CZ3 3.88Å; N490-W492 VanDerWaalsContact C-N 3.26Å; N490-W492 PolarHBondContact O-N 3.33Å; N490-W492 WeakPolarHBondContact OD1-CB 3.48Å; N490-W492 PolarHBondContact OD1-N 3.31Å; N490-W492 VanDerWaalsContact OD1-N 3.11Å; W492-V494 PolarHBondContact O-N 2.95Å
493	D	97.7	Very high	96.7	Very high	78 Å²	78	41.4 Å²	41.4	42%	0.417	22%	0.218	S	C	.	.			trans	-84.3	86.7	172.4	-170	-23.6	0	0	0	110	N490 D495 A496 V497	N490-D493 HydrophobicContact CB-CB 4.12Å; N490-D493 PolarHBondContact O-N 3.12Å; D493-D495 PolarHBondContact O-N 2.94Å; D493-D495 PolarHBondContact OD1-N 2.77Å; D493-A496 HydrophobicContact CB-CB 3.91Å; D493-A496 PolarHBondContact O-N 2.84Å; D493-A496 WeakPolarHBondContact OD1-CB 3.41Å; D493-A496 PolarHBondContact OD1-N 3.47Å; D493-A496 WeakPolarHBondContact OD2-CB 3.35Å; D493-V497 VanDerWaalsContact O-CG2 3.3Å; D493-V497 WeakPolarHBondContact O-CG2 3.2Å; D493-V497 PolarHBondContact O-N 3.09Å
494	V	96.9	Very high	96.8	Very high	32 Å²	32	41.4 Å²	41.4	19%	0.194	22%	0.218	C	C	.	.	H	α-helix	trans	-53.7	-39.7	179.9	172.3	0	0	0	0	112	I352 A353 H356 W492 V497 A498	I352-V494 HydrophobicContact CG2-CG1 3.86Å; I352-V494 HydrophobicContact CG2-CG2 4.03Å; A353-V494 HydrophobicContact CB-CG1 4.4Å; H356-V494 HydrophobicContact CB-CG1 3.93Å; W492-V494 PolarHBondContact O-N 2.95Å; V494-V497 PolarHBondContact O-N 3.49Å; V494-A498 WeakPolarHBondContact O-CB 3.44Å; V494-A498 PolarHBondContact O-N 2.82Å
495	D	97.8	Very high	97.1	Very high	91 Å²	91	38.4 Å²	38.4	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-73.6	-43.1	-174.7	-66.3	7.5	0	0	0	109.9	H356 D493 A498 E499	H356-D495 VanDerWaalsContact CE1-CG 3.43Å; H356-D495 IonicContact CE1-OD1 3.76Å; H356-D495 PolarHBondContact CE1-OD1 2.94Å; H356-D495 IonicContact CE1-OD2 3.85Å; H356-D495 IonicContact CG-OD1 3.02Å; H356-D495 IonicContact ND1-OD1 3.71Å; H356-D495 PolarHBondContact ND1-OD1 3.18Å; H356-D495 IonicContact NE2-OD1 2.69Å; D493-D495 PolarHBondContact O-N 2.94Å; D493-D495 PolarHBondContact OD1-N 2.77Å; D495-A498 PolarHBondContact O-N 2.91Å; D495-E499 PolarHBondContact O-N 3.4Å
496	A	97.6	Very high	97.2	Very high	30 Å²	30	43.7 Å²	43.7	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-36.8	173	0	0	0	0	0	112.8	D493 E499 A500	D493-A496 HydrophobicContact CB-CB 3.91Å; D493-A496 PolarHBondContact O-N 2.84Å; D493-A496 WeakPolarHBondContact OD1-CB 3.41Å; D493-A496 PolarHBondContact OD1-N 3.47Å; D493-A496 WeakPolarHBondContact OD2-CB 3.35Å; A496-E499 PolarHBondContact O-N 2.99Å; A496-A500 WeakPolarHBondContact O-CB 3.49Å; A496-A500 PolarHBondContact O-N 2.93Å
497	V	98.2	Very high	97.2	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-41.9	173	179.2	0	0	0	0	110.6	A353 L433 V489 N490 D493 V494 A500 V501	A353-V497 HydrophobicContact CB-CB 3.67Å; A353-V497 HydrophobicContact CB-CG1 3.42Å; A353-V497 VanDerWaalsContact CB-CG1 3.42Å; L433-V497 HydrophobicContact CD1-CG1 4.17Å; V489-V497 HydrophobicContact CB-CG2 3.98Å; V489-V497 HydrophobicContact CG1-CG2 4.49Å; V489-V497 HydrophobicContact CG2-CG2 3.96Å; N490-V497 WeakPolarHBondContact O-CG2 3.19Å; D493-V497 VanDerWaalsContact O-CG2 3.3Å; D493-V497 WeakPolarHBondContact O-CG2 3.2Å; D493-V497 PolarHBondContact O-N 3.09Å; V494-V497 PolarHBondContact O-N 3.49Å; V497-A500 PolarHBondContact O-N 2.89Å; V497-V501 WeakPolarHBondContact O-CG2 3.46Å; V497-V501 PolarHBondContact O-N 2.88Å; V497-V501 VanDerWaalsContact O-N 3.08Å
498	A	98	Very high	97.1	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-44	176	0	0	0	0	0	112.2	A353 H356 L357 V494 D495 V501 N502	A353-A498 WeakPolarHBondContact O-CB 3.25Å; H356-A498 HydrophobicContact CB-CB 4.25Å; L357-A498 HydrophobicContact CB-CB 4.18Å; L357-A498 WeakPolarHBondContact CD1-O 3.37Å; V494-A498 WeakPolarHBondContact O-CB 3.44Å; V494-A498 PolarHBondContact O-N 2.82Å; D495-A498 PolarHBondContact O-N 2.91Å; A498-V501 PolarHBondContact O-N 3.41Å; A498-N502 WeakPolarHBondContact O-CB 3.46Å; A498-N502 PolarHBondContact O-N 3.05Å
499	E	97.9	Very high	96.8	Very high	110 Å²	110	43.8 Å²	43.8	51%	0.514	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-39.7	175.4	-177.4	168.7	-151.5	0	0	112	D495 A496 N502 S503	D495-E499 PolarHBondContact O-N 3.4Å; A496-E499 PolarHBondContact O-N 2.99Å; E499-N502 PolarHBondContact O-N 3.31Å; E499-S503 VanDerWaalsContact O-CB 3.27Å; E499-S503 WeakPolarHBondContact O-CB 3.3Å; E499-S503 PolarHBondContact O-N 3.34Å; E499-S503 PolarHBondContact O-OG 3.1Å
500	A	98.1	Very high	96.6	Very high	6 Å²	6	48.1 Å²	48.1	5%	0.05	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-42.7	176.2	0	0	0	0	0	112.4	V472 I487 V489 A496 V497 S503 A504	V472-A500 HydrophobicContact CG1-CB 3.76Å; V472-A500 HydrophobicContact CG2-CB 4.08Å; I487-A500 HydrophobicContact CG2-CB 3.64Å; V489-A500 HydrophobicContact CG1-CB 3.34Å; A496-A500 WeakPolarHBondContact O-CB 3.49Å; A496-A500 PolarHBondContact O-N 2.93Å; V497-A500 PolarHBondContact O-N 2.89Å; A500-S503 PolarHBondContact O-N 3.35Å; A500-A504 VanDerWaalsContact O-CB 3.3Å; A500-A504 WeakPolarHBondContact O-CB 3.44Å; A500-A504 PolarHBondContact O-N 3Å
501	V	97.9	Very high	96.5	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-44.3	175.2	173	0	0	0	0	111.1	V335 M354 L357 L433 V472 V497 A498 S503 A504 L505	V335-V501 HydrophobicContact CG2-CG1 4.2Å; M354-V501 HydrophobicContact SD-CG1 4.19Å; L357-V501 HydrophobicContact CD1-CB 4.28Å; L357-V501 HydrophobicContact CD1-CG1 4.2Å; L357-V501 HydrophobicContact CD2-CG1 3.86Å; L433-V501 HydrophobicContact CD1-CG2 4.12Å; L433-V501 HydrophobicContact CD2-CG2 3.9Å; V472-V501 HydrophobicContact CG2-CG2 4.24Å; V497-V501 WeakPolarHBondContact O-CG2 3.46Å; V497-V501 PolarHBondContact O-N 2.88Å; V497-V501 VanDerWaalsContact O-N 3.08Å; A498-V501 PolarHBondContact O-N 3.41Å; V501-S503 VanDerWaalsContact C-N 3.29Å; V501-S503 PolarHBondContact O-N 3Å; V501-A504 PolarHBondContact O-N 2.86Å; V501-L505 HydrophobicContact CG1-CD1 4.02Å; V501-L505 VanDerWaalsContact O-CG 3.29Å; V501-L505 WeakPolarHBondContact O-CG 3.39Å; V501-L505 PolarHBondContact O-N 3Å
502	N	97.6	Very high	96.5	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.053	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-42.9	173.7	168.6	66.6	0	0	0	112	L357 Y361 A498 E499 K506	L357-N502 HydrophobicContact CD1-CB 3.69Å; Y361-N502 HydrophobicContact CD2-CB 3.79Å; Y361-N502 HydrophobicContact CE2-CB 3.61Å; Y361-N502 HydrophobicContact CG-CB 4.42Å; Y361-N502 VanDerWaalsContact CZ-ND2 3.25Å; Y361-N502 PolarHBondContact OH-ND2 3.23Å; A498-N502 WeakPolarHBondContact O-CB 3.46Å; A498-N502 PolarHBondContact O-N 3.05Å; E499-N502 PolarHBondContact O-N 3.31Å; N502-K506 WeakPolarHBondContact O-CB 3.33Å; N502-K506 WeakPolarHBondContact O-CG 3.41Å; N502-K506 PolarHBondContact O-N 2.89Å; N502-K506 VanDerWaalsContact O-N 3.14Å; N502-K506 WeakPolarHBondContact OD1-CE 3.41Å; N502-K506 PolarHBondContact OD1-NZ 3.37Å
503	S	97	Very high	96.4	Very high	47 Å²	47	45.6 Å²	45.6	33%	0.329	25%	0.245	S	C	.	.	H	α-helix	trans	-69.3	-45.3	178.6	-60.9	0	0	0	0	112	E499 A500 V501 L505 K506 M507	E499-S503 VanDerWaalsContact O-CB 3.27Å; E499-S503 WeakPolarHBondContact O-CB 3.3Å; E499-S503 PolarHBondContact O-N 3.34Å; E499-S503 PolarHBondContact O-OG 3.1Å; A500-S503 PolarHBondContact O-N 3.35Å; V501-S503 VanDerWaalsContact C-N 3.29Å; V501-S503 PolarHBondContact O-N 3Å; S503-L505 VanDerWaalsContact C-N 3.3Å; S503-L505 PolarHBondContact O-N 3.17Å; S503-K506 PolarHBondContact O-N 3.34Å; S503-M507 WeakPolarHBondContact O-CB 3.31Å; S503-M507 PolarHBondContact O-N 3.49Å
504	A	96.9	Very high	96.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-55.3	-44.2	174.6	0	0	0	0	0	112.2	T470 V472 I487 A500 V501 M507 K512	T470-A504 HydrophobicContact CG2-CB 3.56Å; V472-A504 HydrophobicContact CG2-CB 4.01Å; I487-A504 HydrophobicContact CD1-CB 4.04Å; A500-A504 VanDerWaalsContact O-CB 3.3Å; A500-A504 WeakPolarHBondContact O-CB 3.44Å; A500-A504 PolarHBondContact O-N 3Å; V501-A504 PolarHBondContact O-N 2.86Å; A504-M507 WeakPolarHBondContact O-CB 3.28Å; A504-K512 WeakPolarHBondContact O-CE 3.47Å
505	L	95.6	Very high	96.2	Very high	22 Å²	22	47.9 Å²	47.9	12%	0.115	25%	0.252	C	S	.	.	H	α-helix	trans	-72.2	-30.5	-179.7	-66.8	176.2	0	0	0	113.2	K333 V335 V368 D430 C431 V501 S503	K333-L505 HydrophobicContact CB-CD2 3.98Å; K333-L505 HydrophobicContact CG-CD2 4.43Å; V335-L505 HydrophobicContact CG2-CD1 4.23Å; V335-L505 HydrophobicContact CG2-CD2 4.37Å; V368-L505 HydrophobicContact CB-CD1 4.42Å; V368-L505 HydrophobicContact CG1-CD1 3.69Å; V368-L505 HydrophobicContact CG2-CD1 3.75Å; D430-L505 HydrophobicContact CB-CD2 4.28Å; C431-L505 HydrophobicContact CB-CD2 4.38Å; V501-L505 HydrophobicContact CG1-CD1 4.02Å; V501-L505 VanDerWaalsContact O-CG 3.29Å; V501-L505 WeakPolarHBondContact O-CG 3.39Å; V501-L505 PolarHBondContact O-N 3Å; S503-L505 VanDerWaalsContact C-N 3.3Å; S503-L505 PolarHBondContact O-N 3.17Å
506	K	94.9	Very high	96.1	Very high	117 Å²	117	43.6 Å²	43.6	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-86.5	-16	177.7	-75.5	171	172.7	167	0	114.8	H363 N502 S503	H363-K506 WeakPolarHBondContact NE2-CE 3.43Å; H363-K506 PolarHBondContact NE2-NZ 3.27Å; H363-K506 VanDerWaalsContact NE2-NZ 3.15Å; N502-K506 WeakPolarHBondContact O-CB 3.33Å; N502-K506 WeakPolarHBondContact O-CG 3.41Å; N502-K506 PolarHBondContact O-N 2.89Å; N502-K506 VanDerWaalsContact O-N 3.14Å; N502-K506 WeakPolarHBondContact OD1-CE 3.41Å; N502-K506 PolarHBondContact OD1-NZ 3.37Å; S503-K506 PolarHBondContact O-N 3.34Å
507	M	94.9	Very high	95.9	Very high	19 Å²	19	46.5 Å²	46.5	9%	0.094	24%	0.237	C	C	.	.	S	Bend	trans	-54.2	142.1	-177.1	-175.6	-179.2	-69.1	0	0	112.4	T470 I487 S503 A504 E511 K512 R515	T470-M507 HydrophobicContact CG2-CE 4.35Å; T470-M507 HydrophobicContact CG2-SD 4.08Å; I487-M507 HydrophobicContact CD1-CE 4.04Å; I487-M507 HydrophobicContact CG1-CE 4.46Å; S503-M507 WeakPolarHBondContact O-CB 3.31Å; S503-M507 PolarHBondContact O-N 3.49Å; A504-M507 WeakPolarHBondContact O-CB 3.28Å; M507-E511 HydrophobicContact CG-CB 3.87Å; M507-E511 HydrophobicContact CG-CG 4.05Å; M507-E511 WeakPolarHBondContact CG-OE2 3.43Å; M507-E511 HydrophobicContact SD-CB 4.31Å; M507-E511 HydrophobicContact SD-CG 4.04Å; M507-K512 HydrophobicContact CB-CG 4.16Å; M507-K512 HydrophobicContact CG-CG 3.83Å; M507-K512 WeakPolarHBondContact O-CE 3.43Å; M507-K512 PolarHBondContact O-NZ 2.87Å; M507-K512 VanDerWaalsContact O-NZ 3.08Å; M507-K512 HydrophobicContact SD-CG 3.67Å; M507-R515 VanDerWaalsContact CE-NE 3.33Å; M507-R515 VanDerWaalsContact SD-CD 3.51Å
508	S	95.2	Very high	95.8	Very high	65 Å²	65	52.9 Å²	52.9	46%	0.455	27%	0.265	S	S	.	.			trans	-66.8	146.5	178.5	73.3	0	0	0	0	111.8	T510 E511 K512	S508-T510 PolarHBondContact O-N 3.22Å; S508-E511 PolarHBondContact O-N 3.27Å; S508-E511 VanDerWaalsContact O-N 3.09Å; S508-E511 WeakPolarHBondContact OG-CB 3.36Å; S508-E511 PolarHBondContact OG-N 3.37Å; S508-K512 WeakPolarHBondContact O-CG 3.43Å; S508-K512 PolarHBondContact O-N 3.16Å
509	E	92.2	Very high	95.6	Very high	89 Å²	89	53 Å²	53	42%	0.416	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-31.4	-180	-61.5	-54.5	130	0	0	112.5	K512 Q513	E509-K512 PolarHBondContact O-N 3Å; E509-K512 IonicContact OE1-NZ 2.64Å; E509-K512 PolarHBondContact OE1-NZ 3.4Å; E509-Q513 WeakPolarHBondContact O-CB 3.32Å; E509-Q513 PolarHBondContact O-N 3.06Å
510	T	94	Very high	95.5	Very high	97 Å²	97	50 Å²	50	60%	0.595	25%	0.249	S	C	*	.	H	α-helix	trans	-63.3	-41.4	172.7	-49	0	0	0	0	112	S508 Q513 L514	S508-T510 PolarHBondContact O-N 3.22Å; T510-Q513 PolarHBondContact O-N 2.98Å; T510-L514 HydrophobicContact CG2-CD1 4.46Å; T510-L514 WeakPolarHBondContact O-CG 3.29Å; T510-L514 PolarHBondContact O-N 3.42Å
511	E	95.4	Very high	95.3	Very high	73 Å²	73	55.6 Å²	55.6	34%	0.341	27%	0.274	S	S	.	.	H	α-helix	trans	-70.8	-40.5	176.4	-169.2	-169.1	158.1	0	0	111.6	M507 S508 Q513 L514 R515	M507-E511 HydrophobicContact CG-CB 3.87Å; M507-E511 HydrophobicContact CG-CG 4.05Å; M507-E511 WeakPolarHBondContact CG-OE2 3.43Å; M507-E511 HydrophobicContact SD-CB 4.31Å; M507-E511 HydrophobicContact SD-CG 4.04Å; S508-E511 PolarHBondContact O-N 3.27Å; S508-E511 VanDerWaalsContact O-N 3.09Å; S508-E511 WeakPolarHBondContact OG-CB 3.36Å; S508-E511 PolarHBondContact OG-N 3.37Å; E511-Q513 VanDerWaalsContact C-N 3.27Å; E511-Q513 PolarHBondContact O-N 3.41Å; E511-L514 PolarHBondContact O-N 3.07Å; E511-R515 WeakPolarHBondContact O-CB 3.37Å; E511-R515 WeakPolarHBondContact O-CG 3.44Å; E511-R515 PolarHBondContact O-N 3.16Å; E511-R515 IonicContact OE1-CZ 2.73Å; E511-R515 IonicContact OE1-NE 3.26Å; E511-R515 PolarHBondContact OE1-NE 3.04Å; E511-R515 IonicContact OE1-NH2 2.7Å; E511-R515 PolarHBondContact OE1-NH2 3.31Å
512	K	95.3	Very high	95.2	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-37.7	173.6	-66.5	175.2	-171.7	157.8	0	111.9	T468 T470 A504 M507 S508 E509 H516	T468-K512 HydrophobicContact CG2-CB 3.82Å; T470-K512 HydrophobicContact CG2-CG 4.47Å; A504-K512 WeakPolarHBondContact O-CE 3.47Å; M507-K512 HydrophobicContact CB-CG 4.16Å; M507-K512 HydrophobicContact CG-CG 3.83Å; M507-K512 WeakPolarHBondContact O-CE 3.43Å; M507-K512 PolarHBondContact O-NZ 2.87Å; M507-K512 VanDerWaalsContact O-NZ 3.08Å; M507-K512 HydrophobicContact SD-CG 3.67Å; S508-K512 WeakPolarHBondContact O-CG 3.43Å; S508-K512 PolarHBondContact O-N 3.16Å; E509-K512 PolarHBondContact O-N 3Å; E509-K512 IonicContact OE1-NZ 2.64Å; E509-K512 PolarHBondContact OE1-NZ 3.4Å; K512-H516 WeakPolarHBondContact O-CB 3.22Å; K512-H516 PolarHBondContact O-N 2.9Å
513	Q	94.4	Very high	95.1	Very high	61 Å²	61	57.3 Å²	57.3	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-52.4	174	179.5	-178	-9.7	0	0	110.7	P466 T468 E509 T510 E511 R515 H516 E517	P466-Q513 HydrophobicContact CB-CB 4.34Å; P466-Q513 HydrophobicContact CB-CG 4.1Å; T468-Q513 HydrophobicContact CG2-CB 4.32Å; E509-Q513 WeakPolarHBondContact O-CB 3.32Å; E509-Q513 PolarHBondContact O-N 3.06Å; T510-Q513 PolarHBondContact O-N 2.98Å; E511-Q513 VanDerWaalsContact C-N 3.27Å; E511-Q513 PolarHBondContact O-N 3.41Å; Q513-R515 VanDerWaalsContact C-N 3.27Å; Q513-R515 PolarHBondContact O-N 2.79Å; Q513-H516 WeakPolarHBondContact O-CB 3.4Å; Q513-H516 PolarHBondContact O-N 2.97Å; Q513-H516 VanDerWaalsContact O-N 3.08Å; Q513-E517 HydrophobicContact CG-CG 4.29Å; Q513-E517 VanDerWaalsContact CG-OE1 3.29Å; Q513-E517 WeakPolarHBondContact CG-OE1 3.38Å; Q513-E517 PolarHBondContact NE2-OE1 3.37Å; Q513-E517 WeakPolarHBondContact O-CG 3.39Å; Q513-E517 PolarHBondContact O-N 3.1Å
514	L	95.1	Very high	95	Very high	96 Å²	96	57.4 Å²	57.4	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-31.1	-179.7	-69.9	170	0	0	0	113.3	T510 E511 K518	T510-L514 HydrophobicContact CG2-CD1 4.46Å; T510-L514 WeakPolarHBondContact O-CG 3.29Å; T510-L514 PolarHBondContact O-N 3.42Å; E511-L514 PolarHBondContact O-N 3.07Å; L514-K518 WeakPolarHBondContact O-CG 3.25Å
515	R	96.1	Very high	94.9	Very high	63 Å²	63	60.4 Å²	60.4	24%	0.238	30%	0.299	C	S	.	.	H	α-helix	trans	-70.9	-47	170.8	-71.8	172.2	-179.6	-101	8.3	111.1	G485 M507 E511 Q513 E517 K518 H519	G485-R515 VanDerWaalsContact O-CD 3.25Å; G485-R515 WeakPolarHBondContact O-CD 3.4Å; G485-R515 WeakPolarHBondContact O-CG 3.49Å; G485-R515 PolarHBondContact O-NH1 3.21Å; M507-R515 VanDerWaalsContact CE-NE 3.33Å; M507-R515 VanDerWaalsContact SD-CD 3.51Å; E511-R515 WeakPolarHBondContact O-CB 3.37Å; E511-R515 WeakPolarHBondContact O-CG 3.44Å; E511-R515 PolarHBondContact O-N 3.16Å; E511-R515 IonicContact OE1-CZ 2.73Å; E511-R515 IonicContact OE1-NE 3.26Å; E511-R515 PolarHBondContact OE1-NE 3.04Å; E511-R515 IonicContact OE1-NH2 2.7Å; E511-R515 PolarHBondContact OE1-NH2 3.31Å; Q513-R515 VanDerWaalsContact C-N 3.27Å; Q513-R515 PolarHBondContact O-N 2.79Å; R515-E517 PolarHBondContact O-N 3.22Å; R515-K518 PolarHBondContact O-N 3.03Å; R515-H519 WeakPolarHBondContact O-CB 3.4Å; R515-H519 VanDerWaalsContact O-CG 3.3Å; R515-H519 PolarHBondContact O-N 2.93Å; R515-H519 PolarHBondContact O-ND1 2.89Å
516	H	95.7	Very high	94.9	Very high	1 Å²	1	62 Å²	62	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-43.6	178	-177	66.6	0	0	0	113.1	I449 Q453 R467 S469 K512 Q513 K518 H519 Y520	I449-H516 PolarHBondContact O-CE1 2.83Å; Q453-H516 PolarHBondContact OE1-NE2 2.66Å; R467-H516 VanDerWaalsContact C-CD2 3.47Å; R467-H516 VanDerWaalsContact CB-CD2 3.44Å; R467-H516 WeakPolarHBondContact CB-CD2 3.49Å; R467-H516 WeakPolarHBondContact CB-NE2 3.42Å; R467-H516 PolarHBondContact O-CD2 3.29Å; R467-H516 VanDerWaalsContact O-CD2 3.32Å; S469-H516 VanDerWaalsContact CB-ND1 3.27Å; S469-H516 WeakPolarHBondContact CB-ND1 3.33Å; S469-H516 PolarHBondContact OG-ND1 3.22Å; K512-H516 WeakPolarHBondContact O-CB 3.22Å; K512-H516 PolarHBondContact O-N 2.9Å; Q513-H516 WeakPolarHBondContact O-CB 3.4Å; Q513-H516 PolarHBondContact O-N 2.97Å; Q513-H516 VanDerWaalsContact O-N 3.08Å; H516-K518 PolarHBondContact O-N 3.32Å; H516-H519 WeakPolarHBondContact O-CB 3.35Å; H516-H519 PolarHBondContact O-N 3.02Å; H516-Y520 WeakPolarHBondContact O-CB 3.42Å; H516-Y520 PolarHBondContact O-N 3.25Å
517	E	94.2	Very high	94.9	Very high	91 Å²	91	58.6 Å²	58.6	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-44.1	178.9	-73.5	171	175.7	0	0	111.6	Q513 R515 H521	Q513-E517 HydrophobicContact CG-CG 4.29Å; Q513-E517 VanDerWaalsContact CG-OE1 3.29Å; Q513-E517 WeakPolarHBondContact CG-OE1 3.38Å; Q513-E517 PolarHBondContact NE2-OE1 3.37Å; Q513-E517 WeakPolarHBondContact O-CG 3.39Å; Q513-E517 PolarHBondContact O-N 3.1Å; R515-E517 PolarHBondContact O-N 3.22Å; E517-H521 WeakPolarHBondContact O-CB 3.41Å; E517-H521 PolarHBondContact O-N 3.01Å
518	K	94.5	Very high	94.9	Very high	135 Å²	135	57.8 Å²	57.8	59%	0.587	29%	0.289	S	S	*	.	H	α-helix	trans	-61.6	-45.6	173.3	-71.6	175.9	179.8	-177.8	0	112.1	L514 R515 H516 Y522	L514-K518 WeakPolarHBondContact O-CG 3.25Å; R515-K518 PolarHBondContact O-N 3.03Å; H516-K518 PolarHBondContact O-N 3.32Å; K518-Y522 PolarHBondContact O-N 2.9Å
519	H	95.3	Very high	94.9	Very high	2 Å²	2	55 Å²	55	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-49.6	179	-78.8	154.3	0	0	0	112.4	I449 L483 G485 A486 R515 H516 Y522 I523	I449-H519 HydrophobicContact CD1-CB 3.65Å; I449-H519 HydrophobicContact CG1-CB 4.12Å; I449-H519 HydrophobicContact CG2-CB 4.07Å; L483-H519 PolarHBondContact O-NE2 3Å; L483-H519 VanDerWaalsContact O-NE2 3.15Å; G485-H519 VanDerWaalsContact C-NE2 3.26Å; G485-H519 WeakPolarHBondContact CA-NE2 3.46Å; G485-H519 PolarHBondContact N-NE2 2.89Å; A486-H519 PolarHBondContact N-CE1 3.39Å; A486-H519 VanDerWaalsContact N-CE1 3.34Å; A486-H519 PolarHBondContact N-NE2 3.13Å; R515-H519 WeakPolarHBondContact O-CB 3.4Å; R515-H519 VanDerWaalsContact O-CG 3.3Å; R515-H519 PolarHBondContact O-N 2.93Å; R515-H519 PolarHBondContact O-ND1 2.89Å; H516-H519 WeakPolarHBondContact O-CB 3.35Å; H516-H519 PolarHBondContact O-N 3.02Å; H519-Y522 PolarHBondContact O-N 3.24Å; H519-I523 WeakPolarHBondContact O-CG1 3.32Å; H519-I523 PolarHBondContact O-N 3.17Å
520	Y	95	Very high	95.1	Very high	47 Å²	47	55.8 Å²	55.8	18%	0.184	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-43.4	-179.4	-175.9	-94	0	0	0	111.3	M306 I449 Q453 H516 Y522 I523 S524	M306-Y520 HydrophobicContact CE-CE2 3.61Å; M306-Y520 WeakPolarHBondContact CE-OH 3.47Å; I449-Y520 HydrophobicContact CG2-CD2 4.29Å; Q453-Y520 HydrophobicContact CB-CD2 3.62Å; Q453-Y520 HydrophobicContact CB-CE2 3.6Å; Q453-Y520 HydrophobicContact CB-CG 4.39Å; Q453-Y520 HydrophobicContact CG-CD1 4.46Å; Q453-Y520 HydrophobicContact CG-CD2 3.81Å; Q453-Y520 HydrophobicContact CG-CE1 4.19Å; Q453-Y520 HydrophobicContact CG-CE2 3.49Å; Q453-Y520 VanDerWaalsContact CG-CE2 3.49Å; Q453-Y520 HydrophobicContact CG-CG 4.29Å; H516-Y520 WeakPolarHBondContact O-CB 3.42Å; H516-Y520 PolarHBondContact O-N 3.25Å; Y520-Y522 VanDerWaalsContact C-N 3.32Å; Y520-Y522 PolarHBondContact O-N 2.91Å; Y520-I523 PolarHBondContact O-N 2.79Å; Y520-S524 WeakPolarHBondContact O-CB 3.35Å; Y520-S524 PolarHBondContact O-N 2.84Å; Y520-S524 PolarHBondContact O-OG 2.65Å; Y520-S524 VanDerWaalsContact O-OG 3.08Å
521	H	95	Very high	95.2	Very high	125 Å²	125	51.2 Å²	51.2	58%	0.579	24%	0.243	S	C	*	.	H	α-helix	trans	-57	-44.2	177.6	178.9	64	0	0	0	112.3	E517 S524 T525	E517-H521 WeakPolarHBondContact O-CB 3.41Å; E517-H521 PolarHBondContact O-N 3.01Å; H521-S524 PolarHBondContact O-OG 3.39Å; H521-S524 VanDerWaalsContact O-OG 3.07Å; H521-T525 WeakPolarHBondContact O-CG2 3.44Å; H521-T525 PolarHBondContact O-N 3.25Å; H521-T525 PolarHBondContact O-OG1 3.23Å
522	Y	95.4	Very high	95.3	Very high	48 Å²	48	47.7 Å²	47.7	19%	0.188	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-50.5	174.9	-179	-87.5	0	0	0	111.7	S482 K518 H519 Y520 S524 T525 H526	S482-Y522 PolarHBondContact OG-OH 3.15Å; K518-Y522 PolarHBondContact O-N 2.9Å; H519-Y522 PolarHBondContact O-N 3.24Å; Y520-Y522 VanDerWaalsContact C-N 3.32Å; Y520-Y522 PolarHBondContact O-N 2.91Å; Y522-S524 PolarHBondContact O-N 3.39Å; Y522-T525 PolarHBondContact O-N 3.49Å; Y522-T525 PolarHBondContact O-OG1 2.99Å; Y522-H526 HydrophobicContact CD1-CB 4.38Å; Y522-H526 AromaticContact CD2-CE1 3.94Å; Y522-H526 AromaticContact CD2-ND1 3.77Å; Y522-H526 HydrophobicContact CE1-CB 3.9Å; Y522-H526 AromaticContact CE2-CD2 3.95Å; Y522-H526 AromaticContact CE2-CE1 3.79Å; Y522-H526 AromaticContact CE2-CG 3.85Å; Y522-H526 AromaticContact CE2-ND1 3.74Å; Y522-H526 AromaticContact CE2-NE2 3.91Å; Y522-H526 AromaticContact CZ-CD2 3.93Å; Y522-H526 AromaticContact CZ-CG 3.74Å; Y522-H526 WeakPolarHBondContact O-CB 3.24Å; Y522-H526 PolarHBondContact O-N 2.99Å; Y522-H526 PolarHBondContact O-ND1 2.89Å
523	I	95.5	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-38.8	-176.5	-64.7	162.4	0	0	0	111.8	V304 M306 Y446 I449 V450 L483 H519 Y520 T525 H526 D527	V304-I523 HydrophobicContact CG2-CG2 3.78Å; M306-I523 HydrophobicContact SD-CG2 3.88Å; Y446-I523 HydrophobicContact CD1-CD1 4.43Å; Y446-I523 HydrophobicContact CD1-CG1 4.02Å; Y446-I523 HydrophobicContact CD1-CG2 4.3Å; Y446-I523 HydrophobicContact CD2-CD1 3.81Å; Y446-I523 HydrophobicContact CD2-CG1 4.02Å; Y446-I523 HydrophobicContact CE1-CG1 4.32Å; Y446-I523 HydrophobicContact CE2-CD1 4.46Å; Y446-I523 HydrophobicContact CE2-CG1 4.3Å; Y446-I523 HydrophobicContact CG-CD1 3.8Å; Y446-I523 HydrophobicContact CG-CG1 3.88Å; I449-I523 HydrophobicContact CB-CD1 3.81Å; I449-I523 HydrophobicContact CD1-CD1 3.51Å; I449-I523 HydrophobicContact CG1-CD1 4.28Å; I449-I523 HydrophobicContact CG2-CD1 3.85Å; V450-I523 HydrophobicContact CG2-CG2 3.91Å; L483-I523 HydrophobicContact CD2-CD1 4.22Å; H519-I523 WeakPolarHBondContact O-CG1 3.32Å; H519-I523 PolarHBondContact O-N 3.17Å; Y520-I523 PolarHBondContact O-N 2.79Å; I523-T525 PolarHBondContact O-N 3.03Å; I523-H526 CarbonylContact O-C 3.54Å; I523-H526 PolarHBondContact O-N 2.84Å; I523-D527 PolarHBondContact O-N 2.96Å
524	S	94.6	Very high	95.4	Very high	48 Å²	48	50.1 Å²	50.1	34%	0.336	24%	0.238	S	C	.	.	H	α-helix	trans	-69.1	-12	177.6	67.7	0	0	0	0	114.2	Y520 H521 Y522	Y520-S524 WeakPolarHBondContact O-CB 3.35Å; Y520-S524 PolarHBondContact O-N 2.84Å; Y520-S524 PolarHBondContact O-OG 2.65Å; Y520-S524 VanDerWaalsContact O-OG 3.08Å; H521-S524 PolarHBondContact O-OG 3.39Å; H521-S524 VanDerWaalsContact O-OG 3.07Å; Y522-S524 PolarHBondContact O-N 3.39Å
525	T	94.6	Very high	95.5	Very high	63 Å²	63	45.6 Å²	45.6	39%	0.387	21%	0.214	S	C	.	.	H	α-helix	trans	-108.1	-23.8	175.9	50.4	0	0	0	0	113	H521 Y522 I523	H521-T525 WeakPolarHBondContact O-CG2 3.44Å; H521-T525 PolarHBondContact O-N 3.25Å; H521-T525 PolarHBondContact O-OG1 3.23Å; Y522-T525 PolarHBondContact O-N 3.49Å; Y522-T525 PolarHBondContact O-OG1 2.99Å; I523-T525 PolarHBondContact O-N 3.03Å
526	H	95.1	Very high	95.4	Very high	57 Å²	57	42.6 Å²	42.6	26%	0.264	20%	0.203	S	C	.	.	S	Bend	trans	-116	57.2	179.9	-59.5	71.9	0	0	0	110.1	G303 Y522 I523 Y530	G303-H526 VanDerWaalsContact CA-O 3.24Å; G303-H526 WeakPolarHBondContact CA-O 3.2Å; Y522-H526 HydrophobicContact CD1-CB 4.38Å; Y522-H526 AromaticContact CD2-CE1 3.94Å; Y522-H526 AromaticContact CD2-ND1 3.77Å; Y522-H526 HydrophobicContact CE1-CB 3.9Å; Y522-H526 AromaticContact CE2-CD2 3.95Å; Y522-H526 AromaticContact CE2-CE1 3.79Å; Y522-H526 AromaticContact CE2-CG 3.85Å; Y522-H526 AromaticContact CE2-ND1 3.74Å; Y522-H526 AromaticContact CE2-NE2 3.91Å; Y522-H526 AromaticContact CZ-CD2 3.93Å; Y522-H526 AromaticContact CZ-CG 3.74Å; Y522-H526 WeakPolarHBondContact O-CB 3.24Å; Y522-H526 PolarHBondContact O-N 2.99Å; Y522-H526 PolarHBondContact O-ND1 2.89Å; I523-H526 CarbonylContact O-C 3.54Å; I523-H526 PolarHBondContact O-N 2.84Å; H526-Y530 HydrophobicContact CB-CD1 4.45Å; H526-Y530 AromaticContact CD2-CE1 3.85Å
527	D	94.7	Very high	95.4	Very high	45 Å²	45	46.9 Å²	46.9	24%	0.241	22%	0.223	C	C	.	.			trans	-81.7	-179.8	179.5	89	-16.6	0	0	0	112.1	V304 M306 I523 G529 Y530 W531	V304-D527 WeakPolarHBondContact O-CB 3.38Å; M306-D527 HydrophobicContact CG-CB 4.1Å; I523-D527 PolarHBondContact O-N 2.96Å; D527-G529 VanDerWaalsContact C-N 3.27Å; D527-G529 PolarHBondContact O-N 2.94Å; D527-G529 WeakPolarHBondContact OD1-CA 3.39Å; D527-G529 PolarHBondContact OD1-N 3.12Å; D527-Y530 PolarHBondContact O-N 2.93Å; D527-Y530 PolarHBondContact OD1-N 2.82Å; D527-W531 PolarHBondContact O-N 3.07Å; D527-W531 VanDerWaalsContact O-N 3.1Å
528	V	95.7	Very high	95.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-31	179.4	69.9	0	0	0	0	112.9	L88 Q91 V302 V304 H305 W531 A532	L88-V528 HydrophobicContact CD1-CG2 3.44Å; L88-V528 VanDerWaalsContact CD1-CG2 3.44Å; Q91-V528 HydrophobicContact CB-CG1 4.17Å; Q91-V528 HydrophobicContact CB-CG2 4.12Å; V302-V528 HydrophobicContact CG2-CG2 4.36Å; V304-V528 PolarHBondContact O-N 2.86Å; H305-V528 HydrophobicContact CB-CG1 3.73Å; V528-W531 HydrophobicContact CG2-CE3 4.33Å; V528-W531 PolarHBondContact O-N 2.97Å; V528-A532 WeakPolarHBondContact O-CB 3.21Å; V528-A532 PolarHBondContact O-N 2.83Å
529	G	95.1	Very high	95.5	Very high	8 Å²	8	37.5 Å²	37.5	8%	0.082	18%	0.182	C	C	.	.	H	α-helix	trans	-73	-40.6	179.7	0	0	0	0	0	111.8	G95 D527 A532 K533	G95-G529 VanDerWaalsContact CA-CA 3.45Å; D527-G529 VanDerWaalsContact C-N 3.27Å; D527-G529 PolarHBondContact O-N 2.94Å; D527-G529 WeakPolarHBondContact OD1-CA 3.39Å; D527-G529 PolarHBondContact OD1-N 3.12Å; G529-A532 PolarHBondContact O-N 2.83Å; G529-K533 VanDerWaalsContact O-CB 3.25Å; G529-K533 WeakPolarHBondContact O-CB 3.39Å; G529-K533 PolarHBondContact O-N 2.93Å
530	Y	95.9	Very high	95.4	Very high	104 Å²	104	39.8 Å²	39.8	41%	0.408	19%	0.193	S	C	.	.	H	α-helix	trans	-59.2	-46.3	169.8	175.1	-99.2	0	0	0	111.8	L300 H526 D527 A532 S534	L300-Y530 HydrophobicContact CD1-CE1 4.06Å; H526-Y530 HydrophobicContact CB-CD1 4.45Å; H526-Y530 AromaticContact CD2-CE1 3.85Å; D527-Y530 PolarHBondContact O-N 2.93Å; D527-Y530 PolarHBondContact OD1-N 2.82Å; Y530-A532 PolarHBondContact O-N 3.01Å; Y530-S534 WeakPolarHBondContact O-CB 3.47Å; Y530-S534 PolarHBondContact O-N 3.13Å
531	W	97	Very high	95.3	Very high	1 Å²	1	42 Å²	42	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-56.1	-51.6	175.6	169.8	83	0	0	0	111.5	L88 L92 W201 F226 H228 L300 V302 D527 V528 F535	L88-W531 HydrophobicContact CD1-CE3 4.38Å; L88-W531 HydrophobicContact CD1-CZ3 4Å; L88-W531 HydrophobicContact CD2-CH2 4.31Å; L88-W531 HydrophobicContact CG-CH2 4.5Å; L88-W531 HydrophobicContact CG-CZ3 4.33Å; L92-W531 HydrophobicContact CB-CE3 4.35Å; L92-W531 HydrophobicContact CB-CZ3 3.83Å; L92-W531 HydrophobicContact CD2-CH2 4.39Å; L92-W531 HydrophobicContact CD2-CZ3 3.96Å; W201-W531 HydrophobicContact CH2-CD2 4.36Å; W201-W531 AromaticContact CH2-CE3 3.99Å; W201-W531 HydrophobicContact CH2-CE3 3.99Å; W201-W531 AromaticContact CH2-CH2 3.4Å; W201-W531 HydrophobicContact CH2-CH2 3.4Å; W201-W531 VanDerWaalsContact CH2-CH2 3.4Å; W201-W531 AromaticContact CH2-CZ2 3.8Å; W201-W531 HydrophobicContact CH2-CZ2 3.8Å; W201-W531 AromaticContact CH2-CZ3 3.51Å; W201-W531 HydrophobicContact CH2-CZ3 3.51Å; W201-W531 AromaticContact CZ2-CH2 3.4Å; W201-W531 HydrophobicContact CZ2-CH2 3.4Å; W201-W531 VanDerWaalsContact CZ2-CH2 3.4Å; W201-W531 AromaticContact CZ2-CZ2 3.5Å; W201-W531 HydrophobicContact CZ2-CZ2 3.5Å; W201-W531 VanDerWaalsContact CZ2-CZ2 3.5Å; W201-W531 HydrophobicContact CZ2-CZ3 4.02Å; W201-W531 HydrophobicContact CZ3-CH2 4.44Å; W201-W531 HydrophobicContact CZ3-CZ3 4.34Å; F226-W531 HydrophobicContact CB-CZ2 4.49Å; F226-W531 HydrophobicContact CD1-CZ2 4.08Å; F226-W531 AromaticContact CD2-CZ2 3.85Å; F226-W531 HydrophobicContact CD2-CZ2 3.85Å; F226-W531 AromaticContact CD2-NE1 3.84Å; F226-W531 HydrophobicContact CE1-CZ2 4.41Å; F226-W531 HydrophobicContact CE2-CZ2 4.17Å; F226-W531 AromaticContact CE2-NE1 3.29Å; F226-W531 VanDerWaalsContact CE2-NE1 3.29Å; F226-W531 AromaticContact CG-CZ2 3.85Å; F226-W531 HydrophobicContact CG-CZ2 3.85Å; F226-W531 HydrophobicContact CZ-CZ2 4.46Å; F226-W531 AromaticContact CZ-NE1 3.52Å; H228-W531 AromaticContact CE1-CH2 3.97Å; H228-W531 AromaticContact CE1-CZ2 3.68Å; L300-W531 HydrophobicContact CD2-CB 4.37Å; L300-W531 HydrophobicContact CD2-CG 4.26Å; L300-W531 WeakPolarHBondContact CD2-O 3.44Å; V302-W531 HydrophobicContact CB-CD2 4Å; V302-W531 HydrophobicContact CB-CG 3.93Å; V302-W531 HydrophobicContact CG2-CB 4.31Å; V302-W531 HydrophobicContact CG2-CD2 3.56Å; V302-W531 HydrophobicContact CG2-CE3 3.79Å; V302-W531 HydrophobicContact CG2-CG 3.79Å; V302-W531 HydrophobicContact CG2-CZ2 4.48Å; V302-W531 HydrophobicContact CG2-CZ3 4.33Å; D527-W531 PolarHBondContact O-N 3.07Å; D527-W531 VanDerWaalsContact O-N 3.1Å; V528-W531 HydrophobicContact CG2-CE3 4.33Å; V528-W531 PolarHBondContact O-N 2.97Å; W531-F535 PolarHBondContact O-N 2.87Å; W531-F535 VanDerWaalsContact O-N 3.09Å
532	A	96.8	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-47.1	-177.1	0	0	0	0	0	112.6	L92 F96 W201 V528 G529 Y530 M536	L92-A532 HydrophobicContact CB-CB 3.73Å; L92-A532 WeakPolarHBondContact O-CB 3.38Å; F96-A532 HydrophobicContact CE2-CB 3.7Å; F96-A532 HydrophobicContact CZ-CB 4.15Å; F96-A532 WeakPolarHBondContact CZ-O 3.26Å; W201-A532 HydrophobicContact CH2-CB 4.46Å; W201-A532 HydrophobicContact CZ3-CB 4.33Å; V528-A532 WeakPolarHBondContact O-CB 3.21Å; V528-A532 PolarHBondContact O-N 2.83Å; G529-A532 PolarHBondContact O-N 2.83Å; Y530-A532 PolarHBondContact O-N 3.01Å; A532-M536 PolarHBondContact O-N 2.97Å; A532-M536 VanDerWaalsContact O-N 3.11Å
533	K	95.6	Very high	95	Very high	104 Å²	104	34.3 Å²	34.3	45%	0.452	17%	0.169	S	C	.	.	H	α-helix	trans	-65.5	-45.1	-179.8	-175.2	172.2	-179.1	173.1	0	112.2	G529 F535 M536 Q537	G529-K533 VanDerWaalsContact O-CB 3.25Å; G529-K533 WeakPolarHBondContact O-CB 3.39Å; G529-K533 PolarHBondContact O-N 2.93Å; K533-F535 PolarHBondContact O-N 3.39Å; K533-M536 PolarHBondContact O-N 2.87Å; K533-Q537 HydrophobicContact CG-CG 4.48Å; K533-Q537 VanDerWaalsContact O-CG 3.3Å; K533-Q537 WeakPolarHBondContact O-CG 3.49Å; K533-Q537 PolarHBondContact O-N 3.41Å
534	S	96.1	Very high	94.5	Very high	14 Å²	14	42.5 Å²	42.5	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-71.1	-29.9	-179	-175.5	0	0	0	0	112.9	K298 Y530 D538	K298-S534 PolarHBondContact NZ-OG 3.36Å; Y530-S534 WeakPolarHBondContact O-CB 3.47Å; Y530-S534 PolarHBondContact O-N 3.13Å; S534-D538 PolarHBondContact O-N 2.84Å
535	F	96.8	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-45.7	170.6	-175	-88.8	0	0	0	111.4	W201 F225 F226 L255 K298 W531 K533 D538 L539	W201-F535 AromaticContact CD1-CE1 3.5Å; W201-F535 VanDerWaalsContact CD1-CE1 3.5Å; W201-F535 AromaticContact CD2-CD1 3.71Å; W201-F535 HydrophobicContact CD2-CD1 3.71Å; W201-F535 AromaticContact CD2-CE1 3.78Å; W201-F535 HydrophobicContact CD2-CE1 3.78Å; W201-F535 AromaticContact CE2-CD1 3.28Å; W201-F535 AromaticContact CE2-CE1 3.37Å; W201-F535 AromaticContact CE2-CG 3.93Å; W201-F535 HydrophobicContact CE3-CD1 4.16Å; W201-F535 HydrophobicContact CG-CD1 4.29Å; W201-F535 AromaticContact CG-CE1 3.87Å; W201-F535 HydrophobicContact CG-CE1 3.87Å; W201-F535 HydrophobicContact CH2-CB 3.93Å; W201-F535 AromaticContact CH2-CD1 3.88Å; W201-F535 HydrophobicContact CH2-CD1 3.88Å; W201-F535 HydrophobicContact CH2-CG 4.04Å; W201-F535 HydrophobicContact CZ2-CB 3.94Å; W201-F535 AromaticContact CZ2-CD1 3.39Å; W201-F535 HydrophobicContact CZ2-CD1 3.39Å; W201-F535 HydrophobicContact CZ2-CD2 4.25Å; W201-F535 AromaticContact CZ2-CE1 3.93Å; W201-F535 HydrophobicContact CZ2-CE1 3.93Å; W201-F535 AromaticContact CZ2-CG 3.57Å; W201-F535 HydrophobicContact CZ2-CG 3.57Å; W201-F535 HydrophobicContact CZ3-CD1 4.23Å; W201-F535 AromaticContact NE1-CD1 3.65Å; W201-F535 AromaticContact NE1-CE1 3.2Å; W201-F535 AromaticContact NE1-CZ 3.56Å; F225-F535 WeakPolarHBondContact O-CZ 3.49Å; F226-F535 AromaticContact CD2-CD2 3.79Å; F226-F535 HydrophobicContact CD2-CD2 3.79Å; F226-F535 AromaticContact CD2-CE2 3.87Å; F226-F535 HydrophobicContact CD2-CE2 3.87Å; F226-F535 HydrophobicContact CE2-CD2 4.35Å; L255-F535 HydrophobicContact CB-CZ 4.28Å; L255-F535 HydrophobicContact CD2-CD1 4.2Å; L255-F535 HydrophobicContact CD2-CD2 3.77Å; L255-F535 HydrophobicContact CD2-CE1 3.97Å; L255-F535 HydrophobicContact CD2-CE2 3.52Å; L255-F535 HydrophobicContact CD2-CG 4.11Å; L255-F535 HydrophobicContact CD2-CZ 3.63Å; L255-F535 VanDerWaalsContact CD2-O 3.32Å; L255-F535 WeakPolarHBondContact CD2-O 3.26Å; L255-F535 HydrophobicContact CG-CE2 3.87Å; L255-F535 HydrophobicContact CG-CZ 3.97Å; K298-F535 HydrophobicContact CB-CD2 4.33Å; K298-F535 HydrophobicContact CB-CE2 4.45Å; K298-F535 HydrophobicContact CG-CD2 4.14Å; W531-F535 PolarHBondContact O-N 2.87Å; W531-F535 VanDerWaalsContact O-N 3.09Å; K533-F535 PolarHBondContact O-N 3.39Å; F535-D538 PolarHBondContact O-N 2.92Å; F535-L539 PolarHBondContact O-N 2.93Å; F535-L539 VanDerWaalsContact O-N 3.09Å
536	M	95.9	Very high	92.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-41.8	-178.7	-165.6	62.4	54.1	0	0	112.5	K59 F96 Y199 W201 A532 K533 D538 L539 E540	K59-M536 HydrophobicContact CD-CE 3.9Å; K59-M536 HydrophobicContact CD-CG 4.17Å; K59-M536 HydrophobicContact CD-SD 4Å; K59-M536 HydrophobicContact CG-CE 4Å; K59-M536 HydrophobicContact CG-SD 4.13Å; F96-M536 HydrophobicContact CE1-CB 3.74Å; F96-M536 HydrophobicContact CE1-CG 3.89Å; F96-M536 HydrophobicContact CZ-CB 3.78Å; F96-M536 HydrophobicContact CZ-CG 4.17Å; Y199-M536 HydrophobicContact CD1-SD 4.39Å; Y199-M536 HydrophobicContact CG-SD 4.1Å; W201-M536 HydrophobicContact CD2-CE 4.39Å; W201-M536 HydrophobicContact CE3-CE 3.68Å; W201-M536 HydrophobicContact CZ3-CE 4.32Å; A532-M536 PolarHBondContact O-N 2.97Å; A532-M536 VanDerWaalsContact O-N 3.11Å; K533-M536 PolarHBondContact O-N 2.87Å; M536-D538 VanDerWaalsContact C-N 3.26Å; M536-D538 PolarHBondContact O-N 3.14Å; M536-L539 CarbonylContact O-C 3.52Å; M536-L539 WeakPolarHBondContact O-CA 3.32Å; M536-L539 WeakPolarHBondContact O-CB 3.37Å; M536-L539 PolarHBondContact O-N 2.88Å; M536-L539 HydrophobicContact SD-CD2 4.08Å; M536-E540 VanDerWaalsContact O-CG 3.31Å; M536-E540 WeakPolarHBondContact O-CG 3.42Å; M536-E540 PolarHBondContact O-N 2.66Å
537	Q	95	Very high	91.8	Very high	92 Å²	92	44.1 Å²	44.1	43%	0.43	20%	0.195	S	C	.	.	H	α-helix	trans	-59.8	-34.2	176.4	-73.8	178.6	-40.6	0	0	113.3	K533 R541	K533-Q537 HydrophobicContact CG-CG 4.48Å; K533-Q537 VanDerWaalsContact O-CG 3.3Å; K533-Q537 WeakPolarHBondContact O-CG 3.49Å; K533-Q537 PolarHBondContact O-N 3.41Å; Q537-R541 WeakPolarHBondContact O-CB 3.31Å; Q537-R541 PolarHBondContact O-N 3.12Å; Q537-R541 VanDerWaalsContact O-N 3.15Å
538	D	94.9	Very high	90.9	Very high	28 Å²	28	45 Å²	45	15%	0.15	20%	0.204	C	C	.	.	H	α-helix	trans	-77.9	-27.1	175.3	-72.7	-10.7	0	0	0	112.1	L255 H285 K298 S534 F535 M536 R541 A542	L255-D538 HydrophobicContact CD1-CB 4.29Å; L255-D538 HydrophobicContact CD2-CB 3.83Å; H285-D538 IonicContact NE2-OD1 3.8Å; K298-D538 VanDerWaalsContact CD-OD2 3.28Å; K298-D538 WeakPolarHBondContact CD-OD2 3.46Å; K298-D538 VanDerWaalsContact CE-OD2 3.29Å; K298-D538 WeakPolarHBondContact CE-OD2 3.29Å; K298-D538 IonicContact NZ-OD2 2.63Å; K298-D538 PolarHBondContact NZ-OD2 2.87Å; S534-D538 PolarHBondContact O-N 2.84Å; F535-D538 PolarHBondContact O-N 2.92Å; M536-D538 VanDerWaalsContact C-N 3.26Å; M536-D538 PolarHBondContact O-N 3.14Å; D538-R541 PolarHBondContact O-N 2.87Å; D538-A542 WeakPolarHBondContact O-CB 3.31Å; D538-A542 PolarHBondContact O-N 2.98Å
539	L	95.8	Very high	90.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-74.2	-44.6	173.2	179.9	62.6	0	0	0	111.5	Y199 D254 L255 F535 M536 R541 A542 C543	Y199-L539 HydrophobicContact CD1-CD2 3.9Å; Y199-L539 HydrophobicContact CD1-CG 3.96Å; Y199-L539 HydrophobicContact CE1-CG 4.44Å; D254-L539 HydrophobicContact CB-CD1 4.41Å; L255-L539 HydrophobicContact CB-CB 4.41Å; L255-L539 HydrophobicContact CB-CD1 3.91Å; L255-L539 HydrophobicContact CD2-CB 4.01Å; F535-L539 PolarHBondContact O-N 2.93Å; F535-L539 VanDerWaalsContact O-N 3.09Å; M536-L539 CarbonylContact O-C 3.52Å; M536-L539 WeakPolarHBondContact O-CA 3.32Å; M536-L539 WeakPolarHBondContact O-CB 3.37Å; M536-L539 PolarHBondContact O-N 2.88Å; M536-L539 HydrophobicContact SD-CD2 4.08Å; L539-R541 PolarHBondContact O-N 3.5Å; L539-A542 PolarHBondContact O-N 3.03Å; L539-C543 WeakPolarHBondContact O-CB 3.28Å; L539-C543 PolarHBondContact O-N 3.01Å; L539-C543 PolarHBondContact O-SG 2.94Å
540	E	93.8	Very high	89.4	Confident	51 Å²	51	52.3 Å²	52.3	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-51.8	-39.9	168.3	-69.9	160.9	-135.9	0	0	111.1	Y199 M536 R544	Y199-E540 HydrophobicContact CE1-CG 4.26Å; M536-E540 VanDerWaalsContact O-CG 3.31Å; M536-E540 WeakPolarHBondContact O-CG 3.42Å; M536-E540 PolarHBondContact O-N 2.66Å; E540-R544 VanDerWaalsContact O-CG 3.25Å; E540-R544 WeakPolarHBondContact O-CG 3.32Å
541	R	92	Very high	88.9	Confident	92 Å²	92	48 Å²	48	35%	0.347	22%	0.216	S	C	.	.	H	α-helix	trans	-72	-45.3	176.1	175.5	177.8	169.4	165.4	-8.2	112.6	H285 Q537 D538 L539 C543 R544	H285-R541 PolarHBondContact CE1-NH1 2.98Å; H285-R541 PolarHBondContact NE2-NH1 3.32Å; Q537-R541 WeakPolarHBondContact O-CB 3.31Å; Q537-R541 PolarHBondContact O-N 3.12Å; Q537-R541 VanDerWaalsContact O-N 3.15Å; D538-R541 PolarHBondContact O-N 2.87Å; L539-R541 PolarHBondContact O-N 3.5Å; R541-C543 VanDerWaalsContact C-N 3.3Å; R541-C543 PolarHBondContact O-N 2.93Å; R541-R544 WeakPolarHBondContact O-CG 3.02Å; R541-R544 PolarHBondContact O-N 3.46Å
542	A	91.9	Very high	88.2	Confident	8 Å²	8	53.6 Å²	53.6	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-40.2	179.5	0	0	0	0	0	112.1	D254 Y296 D538 L539 R544	D254-A542 HydrophobicContact CB-CB 4.19Å; Y296-A542 HydrophobicContact CD2-CB 3.57Å; Y296-A542 HydrophobicContact CE2-CB 4.05Å; Y296-A542 HydrophobicContact CG-CB 4.42Å; D538-A542 WeakPolarHBondContact O-CB 3.31Å; D538-A542 PolarHBondContact O-N 2.98Å; L539-A542 PolarHBondContact O-N 3.03Å; A542-R544 VanDerWaalsContact C-N 3.32Å; A542-R544 PolarHBondContact O-N 3.15Å
543	C	91.8	Very high	87.6	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.034	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.9	-175.2	-65	0	0	0	0	115	K222 L539 R541 D545 H546	K222-C543 HydrophobicContact CB-CB 4.34Å; K222-C543 VanDerWaalsContact CB-SG 3.55Å; K222-C543 HydrophobicContact CD-CB 4.41Å; K222-C543 HydrophobicContact CG-CB 4.03Å; L539-C543 WeakPolarHBondContact O-CB 3.28Å; L539-C543 PolarHBondContact O-N 3.01Å; L539-C543 PolarHBondContact O-SG 2.94Å; R541-C543 VanDerWaalsContact C-N 3.3Å; R541-C543 PolarHBondContact O-N 2.93Å; C543-D545 PolarHBondContact O-N 2.86Å; C543-H546 VanDerWaalsContact O-CB 3.3Å; C543-H546 WeakPolarHBondContact O-CB 3.5Å; C543-H546 VanDerWaalsContact O-CG 3.3Å; C543-H546 PolarHBondContact O-N 3.23Å; C543-H546 VanDerWaalsContact O-N 3.09Å
544	R	85.8	Confident	87.1	Confident	171 Å²	171	52.9 Å²	52.9	65%	0.645	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-34	-176.5	-63.5	-174	-177.8	-168.5	-1.2	112.9	E540 R541 A542 H546	E540-R544 VanDerWaalsContact O-CG 3.25Å; E540-R544 WeakPolarHBondContact O-CG 3.32Å; R541-R544 WeakPolarHBondContact O-CG 3.02Å; R541-R544 PolarHBondContact O-N 3.46Å; A542-R544 VanDerWaalsContact C-N 3.32Å; A542-R544 PolarHBondContact O-N 3.15Å; R544-H546 PolarHBondContact O-N 2.74Å
545	D	75.4	Confident	86.4	Confident	67 Å²	67	53.9 Å²	53.9	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-75.7	-3.7	-178.8	-70.2	-10.6	0	0	0	113.9	C543 Y547 S548 K549	C543-D545 PolarHBondContact O-N 2.86Å; D545-Y547 VanDerWaalsContact C-N 3.29Å; D545-Y547 PolarHBondContact O-N 3.28Å; D545-S548 WeakPolarHBondContact CA-OG 3.48Å; D545-S548 PolarHBondContact O-N 3.11Å; D545-S548 PolarHBondContact O-OG 3.09Å; D545-K549 PolarHBondContact O-N 3.05Å
546	H	77.4	Confident	85.7	Confident	9 Å²	9	63.3 Å²	63.3	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-34	-178.1	-74.3	-163.1	0	0	0	112.8	R215 R220 I221 K222 D254 C543 R544	R215-H546 PolarHBondContact NH2-NE2 3.01Å; R215-H546 VanDerWaalsContact NH2-NE2 3.13Å; R220-H546 HydrophobicContact CG-CB 4.42Å; R220-H546 PolarHBondContact NE-O 2.87Å; R220-H546 PolarHBondContact NH2-O 2.8Å; R220-H546 PolarHBondContact O-CE1 3Å; R220-H546 PolarHBondContact O-ND1 2.85Å; I221-H546 VanDerWaalsContact C-NE2 3.28Å; I221-H546 PolarHBondContact O-NE2 3.48Å; K222-H546 VanDerWaalsContact CA-NE2 3.33Å; K222-H546 WeakPolarHBondContact CA-NE2 3.21Å; D254-H546 IonicContact OD1-NE2 3.64Å; D254-H546 PolarHBondContact OD1-NE2 2.9Å; D254-H546 IonicContact OD2-NE2 3.51Å; D254-H546 PolarHBondContact OD2-NE2 2.91Å; C543-H546 VanDerWaalsContact O-CB 3.3Å; C543-H546 WeakPolarHBondContact O-CB 3.5Å; C543-H546 VanDerWaalsContact O-CG 3.3Å; C543-H546 PolarHBondContact O-N 3.23Å; C543-H546 VanDerWaalsContact O-N 3.09Å; R544-H546 PolarHBondContact O-N 2.74Å
547	Y	74.8	Confident	85.3	Confident	127 Å²	127	65.6 Å²	65.6	50%	0.498	32%	0.323	S	S	.	.	H	α-helix	trans	-89.8	-29.8	-178.1	-52.9	-87.9	0	0	0	112.1	E196 K222 D545 K549	E196-Y547 PolarHBondContact O-OH 2.94Å; K222-Y547 WeakPolarHBondContact CE-OH 3.48Å; D545-Y547 VanDerWaalsContact C-N 3.29Å; D545-Y547 PolarHBondContact O-N 3.28Å; Y547-K549 VanDerWaalsContact C-N 3.26Å; Y547-K549 PolarHBondContact O-N 2.86Å
548	S	76	Confident	85	Confident	62 Å²	62	62.2 Å²	62.2	43%	0.434	31%	0.308	S	S	.	.	H	α-helix	trans	-77.5	-5.1	177.2	64.8	0	0	0	0	114	D545 P567	D545-S548 WeakPolarHBondContact CA-OG 3.48Å; D545-S548 PolarHBondContact O-N 3.11Å; D545-S548 PolarHBondContact O-OG 3.09Å; S548-P567 WeakPolarHBondContact O-CD 3.49Å; S548-P567 WeakPolarHBondContact O-CG 3.3Å
549	K	78.8	Confident	84.6	Confident	50 Å²	50	62.2 Å²	62.2	22%	0.217	32%	0.315	C	S	.	.	S	Bend	trans	-127.6	152.7	177.1	-65.2	179.2	177.9	173.9	0	112.9	R220 G292 D545 Y547 S564 L565	R220-K549 PolarHBondContact NH2-O 3.46Å; G292-K549 PolarHBondContact O-NZ 3.37Å; D545-K549 PolarHBondContact O-N 3.05Å; Y547-K549 VanDerWaalsContact C-N 3.26Å; Y547-K549 PolarHBondContact O-N 2.86Å; K549-S564 VanDerWaalsContact CB-OG 3.25Å; K549-S564 WeakPolarHBondContact CB-OG 3.41Å; K549-S564 WeakPolarHBondContact CD-OG 3.44Å; K549-L565 CarbonylContact C-O 3.58Å; K549-L565 WeakPolarHBondContact CA-O 3.09Å; K549-L565 WeakPolarHBondContact CB-O 3.46Å
550	R	80	Confident	84.3	Confident	113 Å²	113	62.8 Å²	62.8	43%	0.426	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.7	169.1	-76.2	175.6	174.5	171.4	0.5	109.2	S564 L565 P567 F569	R550-S564 WeakPolarHBondContact O-CA 3.45Å; R550-L565 PolarHBondContact N-O 3.1Å; R550-L565 PolarHBondContact O-N 3.36Å; R550-P567 PolarHBondContact NE-O 2.79Å; R550-P567 PolarHBondContact NH1-O 2.84Å; R550-P567 PolarHBondContact NH2-O 2.84Å; R550-F569 PolarHBondContact NH1-O 2.73Å
551	C	84.4	Confident	84.1	Confident	15 Å²	15	63.4 Å²	63.4	10%	0.101	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.3	-172.6	-66.4	0	0	0	0	111.5	N219 R220 V562 L563 S564	N219-C551 HydrophobicContact CB-CB 3.97Å; N219-C551 PolarHBondContact ND2-O 2.84Å; R220-C551 HydrophobicContact CG-CB 4.11Å; C551-V562 HydrophobicContact CB-CG1 3.67Å; C551-L563 CarbonylContact C-O 3.5Å; C551-L563 WeakPolarHBondContact CA-O 3.38Å; C551-S564 PolarHBondContact SG-OG 3.27Å
552	W	83.2	Confident	83.9	Confident	118 Å²	118	59 Å²	59	45%	0.447	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.9	-175.4	-71.4	30.3	0	0	0	110.2	V562 L563	W552-V562 WeakPolarHBondContact O-CA 3.38Å; W552-L563 PolarHBondContact N-O 3.17Å; W552-L563 PolarHBondContact O-N 3.21Å
553	G	84.7	Confident	83.6	Confident	35 Å²	35	58.7 Å²	58.7	36%	0.361	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.8	177.7	0	0	0	0	0	111.8	N219 F560	N219-G553 PolarHBondContact ND2-N 3.11Å; G553-F560 VanDerWaalsContact CA-CE2 3.45Å; G553-F560 VanDerWaalsContact CA-CZ 3.45Å
554	I	84.4	Confident	83.3	Confident	53 Å²	53	58.8 Å²	58.8	27%	0.272	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.3	179.9	62	173.2	0	0	0	111.5	F291 F560 R561 L563	F291-I554 HydrophobicContact CD1-CD1 4.43Å; I554-F560 CarbonylContact O-C 3.58Å; I554-F560 WeakPolarHBondContact O-CA 3.3Å; I554-R561 HydrophobicContact CD1-CG 4.17Å; I554-R561 HydrophobicContact CG1-CG 3.68Å; I554-R561 WeakPolarHBondContact CG1-O 3.46Å; I554-R561 PolarHBondContact N-O 3.42Å; I554-R561 PolarHBondContact O-N 2.94Å; I554-L563 HydrophobicContact CD1-CB 4.17Å
555	G	82.1	Confident	83.1	Confident	35 Å²	35	51.5 Å²	51.5	36%	0.361	27%	0.273	S	S	.	.			trans	94.2	164.4	179	0	0	0	0	0	115.1
556	F	81.5	Confident	83.2	Confident	198 Å²	198	51 Å²	51	87%	0.868	28%	0.275	S	S	*	.	S	Bend	trans	-114.8	156.4	-176.4	-63.3	-81.6	0	0	0	111.8	L558 G559	F556-L558 PolarHBondContact O-N 3.31Å; F556-G559 WeakPolarHBondContact O-CA 3.39Å; F556-G559 PolarHBondContact O-N 3.02Å
557	G	88.5	Confident	83.1	Confident	48 Å²	48	53.4 Å²	53.4	50%	0.495	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	54.8	-132.1	-180	0	0	0	0	0	112.4	G559	G557-G559 VanDerWaalsContact C-N 3.31Å
558	L	88.7	Confident	83.2	Confident	21 Å²	21	50 Å²	50	11%	0.11	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-83.2	-3.6	175.1	-61.6	175.6	0	0	0	113.5	W175 V179 V209 T212 F213 E245 F556 F560	W175-L558 HydrophobicContact CH2-CD1 4.06Å; W175-L558 HydrophobicContact CZ2-CD1 3.53Å; V179-L558 HydrophobicContact CG1-CD1 4.33Å; V179-L558 HydrophobicContact CG2-CD1 3.87Å; V209-L558 HydrophobicContact CB-CD2 4.01Å; V209-L558 HydrophobicContact CG1-CD1 4.29Å; V209-L558 HydrophobicContact CG1-CD2 4.45Å; T212-L558 HydrophobicContact CG2-CD2 4.4Å; F213-L558 HydrophobicContact CZ-CD2 4.23Å; E245-L558 HydrophobicContact CB-CB 3.99Å; E245-L558 HydrophobicContact CB-CD1 3.88Å; E245-L558 HydrophobicContact CG-CB 4.03Å; E245-L558 HydrophobicContact CG-CD1 4.2Å; F556-L558 PolarHBondContact O-N 3.31Å; L558-F560 PolarHBondContact O-N 3.22Å
559	G	84.7	Confident	83.4	Confident	29 Å²	29	47.6 Å²	47.6	30%	0.299	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-80.7	5.1	168.4	0	0	0	0	0	113.8	F556 G557 R561	F556-G559 WeakPolarHBondContact O-CA 3.39Å; F556-G559 PolarHBondContact O-N 3.02Å; G557-G559 VanDerWaalsContact C-N 3.31Å; G559-R561 PolarHBondContact O-NH1 3.28Å
560	F	90.6	Very high	83.7	Confident	11 Å²	11	49.8 Å²	49.8	5%	0.048	28%	0.275	C	S	.	.			trans	-67	139.2	175.6	177.8	-86.2	0	0	0	111.7	T212 R215 K216 N252 G553 I554 L558 V562	T212-F560 HydrophobicContact CG2-CB 3.82Å; T212-F560 HydrophobicContact CG2-CD1 4.21Å; T212-F560 HydrophobicContact CG2-CG 4.47Å; R215-F560 HydrophobicContact CB-CE1 4.21Å; R215-F560 HydrophobicContact CG-CE1 4.43Å; K216-F560 VanDerWaalsContact CA-CE1 3.49Å; K216-F560 VanDerWaalsContact CA-CZ 3.49Å; K216-F560 HydrophobicContact CB-CD1 3.89Å; K216-F560 HydrophobicContact CB-CD2 4.19Å; K216-F560 HydrophobicContact CB-CE1 3.92Å; K216-F560 HydrophobicContact CB-CE2 4.18Å; K216-F560 HydrophobicContact CB-CG 4.05Å; K216-F560 HydrophobicContact CB-CZ 4.07Å; K216-F560 HydrophobicContact CD-CD2 4.44Å; K216-F560 HydrophobicContact CG-CD2 3.97Å; K216-F560 HydrophobicContact CG-CE2 4.03Å; K216-F560 HydrophobicContact CG-CG 4.24Å; K216-F560 HydrophobicContact CG-CZ 4.39Å; N252-F560 PolarHBondContact ND2-O 2.97Å; G553-F560 VanDerWaalsContact CA-CE2 3.45Å; G553-F560 VanDerWaalsContact CA-CZ 3.45Å; I554-F560 CarbonylContact O-C 3.58Å; I554-F560 WeakPolarHBondContact O-CA 3.3Å; L558-F560 PolarHBondContact O-N 3.22Å; F560-V562 HydrophobicContact CE1-CG2 3.98Å; F560-V562 HydrophobicContact CZ-CG2 4.1Å
561	R	88.8	Confident	84.1	Confident	64 Å²	64	48.5 Å²	48.5	24%	0.242	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	153.2	179	59.4	-160.5	-174.2	-91.8	6.5	110.6	Y290 F291 I554 G559	Y290-R561 HydrophobicContact CE1-CB 3.89Å; F291-R561 HydrophobicContact CD2-CG 4.41Å; F291-R561 VanDerWaalsContact CE2-CD 3.47Å; I554-R561 HydrophobicContact CD1-CG 4.17Å; I554-R561 HydrophobicContact CG1-CG 3.68Å; I554-R561 WeakPolarHBondContact CG1-O 3.46Å; I554-R561 PolarHBondContact N-O 3.42Å; I554-R561 PolarHBondContact O-N 2.94Å; G559-R561 PolarHBondContact O-NH1 3.28Å
562	V	87.8	Confident	84.4	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.2	173.6	171.3	0	0	0	0	110.5	R215 N219 R293 C551 W552 F560	R215-V562 HydrophobicContact CG-CB 4.49Å; R215-V562 HydrophobicContact CG-CG2 3.58Å; N219-V562 HydrophobicContact CB-CG1 4.38Å; N219-V562 HydrophobicContact CB-CG2 3.95Å; R293-V562 PolarHBondContact NE-O 3.28Å; C551-V562 HydrophobicContact CB-CG1 3.67Å; W552-V562 WeakPolarHBondContact O-CA 3.38Å; F560-V562 HydrophobicContact CE1-CG2 3.98Å; F560-V562 HydrophobicContact CZ-CG2 4.1Å
563	L	86.2	Confident	84.7	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.6	164.2	174.7	63.7	0	0	0	109	F291 C551 W552 I554 L565 R812 P814	F291-L563 HydrophobicContact CB-CD1 4.21Å; F291-L563 WeakPolarHBondContact O-CA 3.34Å; C551-L563 CarbonylContact C-O 3.5Å; C551-L563 WeakPolarHBondContact CA-O 3.38Å; W552-L563 PolarHBondContact N-O 3.17Å; W552-L563 PolarHBondContact O-N 3.21Å; I554-L563 HydrophobicContact CD1-CB 4.17Å; L563-L565 HydrophobicContact CD1-CD1 4.5Å; L563-L565 HydrophobicContact CD1-CD2 4.2Å; L563-L565 HydrophobicContact CD1-CG 4.25Å; L563-L565 HydrophobicContact CD2-CD1 3.84Å; L563-L565 HydrophobicContact CD2-CG 4.46Å; L563-L565 HydrophobicContact CG-CD1 3.91Å; L563-L565 HydrophobicContact CG-CD2 4.47Å; L563-L565 HydrophobicContact CG-CG 4.02Å; L563-R812 HydrophobicContact CD2-CB 4.26Å; L563-R812 VanDerWaalsContact CD2-O 3.23Å; L563-R812 WeakPolarHBondContact CD2-O 3.42Å; L563-P814 HydrophobicContact CD1-CG 3.85Å
564	S	85.7	Confident	84.9	Confident	7 Å²	7	45.3 Å²	45.3	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.2	-177.9	-161.7	0	0	0	0	110.9	F291 R293 K549 R550 C551	F291-S564 PolarHBondContact O-N 2.94Å; R293-S564 VanDerWaalsContact CG-CB 3.43Å; K549-S564 VanDerWaalsContact CB-OG 3.25Å; K549-S564 WeakPolarHBondContact CB-OG 3.41Å; K549-S564 WeakPolarHBondContact CD-OG 3.44Å; R550-S564 WeakPolarHBondContact O-CA 3.45Å; C551-S564 PolarHBondContact SG-OG 3.27Å
565	L	81.6	Confident	85	Confident	17 Å²	17	50.9 Å²	50.9	9%	0.089	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.6	-166.3	-65.4	165.5	0	0	0	110.6	K549 R550 L563 F569 K813	K549-L565 CarbonylContact C-O 3.58Å; K549-L565 WeakPolarHBondContact CA-O 3.09Å; K549-L565 WeakPolarHBondContact CB-O 3.46Å; R550-L565 PolarHBondContact N-O 3.1Å; R550-L565 PolarHBondContact O-N 3.36Å; L563-L565 HydrophobicContact CD1-CD1 4.5Å; L563-L565 HydrophobicContact CD1-CD2 4.2Å; L563-L565 HydrophobicContact CD1-CG 4.25Å; L563-L565 HydrophobicContact CD2-CD1 3.84Å; L563-L565 HydrophobicContact CD2-CG 4.46Å; L563-L565 HydrophobicContact CG-CD1 3.91Å; L563-L565 HydrophobicContact CG-CD2 4.47Å; L563-L565 HydrophobicContact CG-CG 4.02Å; L565-F569 HydrophobicContact CB-CB 4.21Å; L565-F569 HydrophobicContact CB-CD1 4.1Å; L565-F569 HydrophobicContact CB-CG 4.27Å; L565-F569 HydrophobicContact CD1-CD1 3.69Å; L565-F569 HydrophobicContact CD1-CE1 3.76Å; L565-F569 HydrophobicContact CD2-CD1 4.06Å; L565-F569 HydrophobicContact CD2-CE1 3.88Å; L565-F569 HydrophobicContact CD2-CG 4.44Å; L565-F569 HydrophobicContact CD2-CZ 4.16Å; L565-F569 HydrophobicContact CG-CD1 4.16Å; L565-F569 HydrophobicContact CG-CE1 4.32Å; L565-K813 WeakPolarHBondContact CD2-O 3.32Å
566	S	77.6	Confident	85.3	Confident	58 Å²	58	53.1 Å²	53.1	41%	0.406	29%	0.286	S	S	.	.			trans	-58.8	146	175	-179.1	0	0	0	0	111.5	S568 F569	S566-S568 PolarHBondContact O-N 2.76Å; S566-S568 PolarHBondContact OG-N 2.69Å; S566-S568 PolarHBondContact OG-OG 3.45Å; S566-F569 WeakPolarHBondContact O-CB 3.39Å; S566-F569 PolarHBondContact O-N 2.92Å
567	P	74.6	Confident	85.8	Confident	59 Å²	59	43.7 Å²	43.7	38%	0.383	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.1	171.5	-22.4	34.9	0	0	0	112.6	S548 R550 F569	S548-P567 WeakPolarHBondContact O-CD 3.49Å; S548-P567 WeakPolarHBondContact O-CG 3.3Å; R550-P567 PolarHBondContact NE-O 2.79Å; R550-P567 PolarHBondContact NH1-O 2.84Å; R550-P567 PolarHBondContact NH2-O 2.84Å; P567-F569 VanDerWaalsContact C-N 3.28Å; P567-F569 PolarHBondContact O-N 3.25Å
568	S	77.3	Confident	86	Confident	56 Å²	56	42 Å²	42	39%	0.392	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.8	174.2	66.6	0	0	0	0	114	S566 R570	S566-S568 PolarHBondContact O-N 2.76Å; S566-S568 PolarHBondContact OG-N 2.69Å; S566-S568 PolarHBondContact OG-OG 3.45Å; S568-R570 PolarHBondContact O-N 2.76Å
569	F	80.4	Confident	86.2	Confident	11 Å²	11	44.7 Å²	44.7	5%	0.048	24%	0.243	C	C	.	.			trans	-70.2	122.4	-178.6	-160.3	-101.8	0	0	0	110.7	R550 L565 S566 P567 T809 A817 K818 F820	R550-F569 PolarHBondContact NH1-O 2.73Å; L565-F569 HydrophobicContact CB-CB 4.21Å; L565-F569 HydrophobicContact CB-CD1 4.1Å; L565-F569 HydrophobicContact CB-CG 4.27Å; L565-F569 HydrophobicContact CD1-CD1 3.69Å; L565-F569 HydrophobicContact CD1-CE1 3.76Å; L565-F569 HydrophobicContact CD2-CD1 4.06Å; L565-F569 HydrophobicContact CD2-CE1 3.88Å; L565-F569 HydrophobicContact CD2-CG 4.44Å; L565-F569 HydrophobicContact CD2-CZ 4.16Å; L565-F569 HydrophobicContact CG-CD1 4.16Å; L565-F569 HydrophobicContact CG-CE1 4.32Å; S566-F569 WeakPolarHBondContact O-CB 3.39Å; S566-F569 PolarHBondContact O-N 2.92Å; P567-F569 VanDerWaalsContact C-N 3.28Å; P567-F569 PolarHBondContact O-N 3.25Å; F569-T809 HydrophobicContact CE2-CG2 4.07Å; F569-T809 HydrophobicContact CZ-CG2 3.72Å; F569-A817 VanDerWaalsContact CD2-O 3.27Å; F569-A817 WeakPolarHBondContact CD2-O 3.37Å; F569-A817 WeakPolarHBondContact CE2-O 3.41Å; F569-K818 WeakPolarHBondContact CA-O 3.25Å; F569-F820 AromaticContact CD1-CD1 3.62Å; F569-F820 HydrophobicContact CD1-CD1 3.62Å; F569-F820 HydrophobicContact CD1-CE1 4.14Å; F569-F820 HydrophobicContact CE1-CB 3.84Å; F569-F820 AromaticContact CE1-CD1 3.29Å; F569-F820 HydrophobicContact CE1-CD1 3.29Å; F569-F820 HydrophobicContact CE1-CE1 4.1Å; F569-F820 AromaticContact CE1-CG 3.86Å; F569-F820 HydrophobicContact CE1-CG 3.86Å; F569-F820 HydrophobicContact CZ-CB 3.73Å; F569-F820 HydrophobicContact CZ-CD1 4.05Å; F569-F820 HydrophobicContact CZ-CG 4.29Å
570	R	85.4	Confident	86.5	Confident	95 Å²	95	44 Å²	44	36%	0.358	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.7	-173.9	61.6	-170.9	178.8	176.6	1.1	112.1	S568 L572 K818 Y819 F820	S568-R570 PolarHBondContact O-N 2.76Å; R570-L572 PolarHBondContact O-N 3.11Å; R570-K818 PolarHBondContact N-O 2.66Å; R570-Y819 HydrophobicContact CG-CD1 3.73Å; R570-Y819 HydrophobicContact CG-CE1 3.83Å; R570-Y819 VanDerWaalsContact NE-CE1 3.31Å; R570-Y819 PolarHBondContact NH2-OH 3.09Å; R570-Y819 CarbonylContact O-C 3.54Å; R570-Y819 WeakPolarHBondContact O-CA 3.21Å; R570-F820 PolarHBondContact O-N 3.38Å; R570-F820 VanDerWaalsContact O-N 3.07Å
571	K	87.8	Confident	86.6	Confident	87 Å²	87	43.5 Å²	43.5	38%	0.378	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.1	175.5	-170.3	168.4	-179.6	170.3	0	110	F820 D822 D826	K571-F820 CarbonylContact C-O 3.53Å; K571-F820 WeakPolarHBondContact CA-O 3.36Å; K571-F820 HydrophobicContact CB-CD2 4.42Å; K571-F820 HydrophobicContact CB-CE1 4.03Å; K571-F820 HydrophobicContact CB-CE2 3.85Å; K571-F820 HydrophobicContact CB-CZ 3.65Å; K571-F820 HydrophobicContact CD-CE2 4.17Å; K571-F820 HydrophobicContact CG-CD2 4.37Å; K571-F820 HydrophobicContact CG-CE2 3.97Å; K571-F820 HydrophobicContact CG-CZ 4.3Å; K571-F820 VanDerWaalsContact N-CE1 3.3Å; K571-D822 WeakPolarHBondContact CE-OD2 3.19Å; K571-D822 IonicContact NZ-OD2 3.46Å; K571-D822 PolarHBondContact NZ-OD2 2.98Å; K571-D826 WeakPolarHBondContact CE-OD2 3.42Å; K571-D826 IonicContact NZ-OD2 2.69Å; K571-D826 PolarHBondContact NZ-OD2 2.78Å
572	L	91	Very high	86.7	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.241	C	C	.	.			trans	-77.4	122.8	172.1	-169.1	48.8	0	0	0	109.2	R570 I577 F806 C808 Y819 F820 L821 L830	R570-L572 PolarHBondContact O-N 3.11Å; L572-I577 HydrophobicContact CD1-CB 4.2Å; L572-I577 HydrophobicContact CD1-CD1 4.38Å; L572-I577 HydrophobicContact CD2-CD1 4.21Å; L572-F806 HydrophobicContact CD1-CD1 3.87Å; L572-F806 HydrophobicContact CD1-CE1 4.48Å; L572-C808 HydrophobicContact CD2-CB 4.09Å; L572-Y819 HydrophobicContact CB-CD1 4.16Å; L572-Y819 HydrophobicContact CB-CG 4.39Å; L572-Y819 HydrophobicContact CD1-CD1 3.8Å; L572-Y819 HydrophobicContact CD1-CE1 3.95Å; L572-Y819 HydrophobicContact CD1-CG 4.23Å; L572-F820 PolarHBondContact N-O 3Å; L572-L821 HydrophobicContact CB-CD2 4.29Å; L572-L821 HydrophobicContact CB-CG 4.41Å; L572-L830 HydrophobicContact CD2-CD2 3.54Å; L572-L830 HydrophobicContact CG-CD1 4.17Å; L572-L830 HydrophobicContact CG-CD2 3.93Å
573	S	89.7	Confident	86.9	Confident	47 Å²	47	53.8 Å²	53.8	33%	0.329	27%	0.274	S	S	.	.			trans	-109.6	146.3	174.3	68.4	0	0	0	0	110.9	E575 H576 I577	S573-E575 PolarHBondContact O-N 3.09Å; S573-H576 PolarHBondContact O-N 3.32Å; S573-H576 WeakPolarHBondContact OG-CB 3.24Å; S573-H576 PolarHBondContact OG-N 2.91Å; S573-I577 PolarHBondContact O-N 2.58Å
574	V	88.3	Confident	87.1	Confident	50 Å²	50	54.1 Å²	54.1	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-51.3	-43.3	171.7	178.1	0	0	0	0	110.3	H576 I577 V578 L830	V574-H576 VanDerWaalsContact C-N 3.29Å; V574-H576 PolarHBondContact O-N 3.26Å; V574-I577 PolarHBondContact O-N 3.42Å; V574-V578 HydrophobicContact CG1-CG2 3.56Å; V574-V578 WeakPolarHBondContact O-CB 3.06Å; V574-V578 VanDerWaalsContact O-CG2 3.23Å; V574-V578 WeakPolarHBondContact O-CG2 3.35Å; V574-V578 PolarHBondContact O-N 3.27Å; V574-L830 HydrophobicContact CG2-CD1 3.93Å
575	E	87.3	Confident	87.4	Confident	169 Å²	169	58.5 Å²	58.5	79%	0.79	30%	0.296	S	S	*	.	H	α-helix	trans	-60.1	-32.1	178.9	-63.9	167.5	-178.3	0	0	114	S573 P579	S573-E575 PolarHBondContact O-N 3.09Å; E575-P579 WeakPolarHBondContact O-CD 3.4Å; E575-P579 VanDerWaalsContact O-CG 3.31Å; E575-P579 WeakPolarHBondContact O-CG 3.5Å
576	H	88.2	Confident	87.9	Confident	82 Å²	82	60.8 Å²	60.8	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-83.1	-36.4	179.5	-177.5	67.7	0	0	0	112.4	S573 V574 F806 Y819	S573-H576 PolarHBondContact O-N 3.32Å; S573-H576 WeakPolarHBondContact OG-CB 3.24Å; S573-H576 PolarHBondContact OG-N 2.91Å; V574-H576 VanDerWaalsContact C-N 3.29Å; V574-H576 PolarHBondContact O-N 3.26Å; H576-F806 AromaticContact CD2-CE1 3.68Å; H576-F806 AromaticContact NE2-CE1 3.09Å; H576-F806 WeakPolarHBondContact NE2-CE1 3.09Å; H576-F806 AromaticContact NE2-CZ 3.61Å; H576-Y819 AromaticContact CD2-CE1 3.97Å; H576-Y819 AromaticContact NE2-CZ 3.97Å; H576-Y819 PolarHBondContact NE2-OH 3.39Å
577	I	92.2	Very high	88.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-88.4	-35.7	-176.1	-165.6	163.6	0	0	0	113.8	L572 S573 V574 V580 Y581 M773 M775 F806 L830 L834	L572-I577 HydrophobicContact CD1-CB 4.2Å; L572-I577 HydrophobicContact CD1-CD1 4.38Å; L572-I577 HydrophobicContact CD2-CD1 4.21Å; S573-I577 PolarHBondContact O-N 2.58Å; V574-I577 PolarHBondContact O-N 3.42Å; I577-V580 PolarHBondContact O-N 2.65Å; I577-Y581 WeakPolarHBondContact O-CB 3.44Å; I577-Y581 PolarHBondContact O-N 3.17Å; I577-M773 HydrophobicContact CD1-CE 3.59Å; I577-M773 HydrophobicContact CG1-CE 3.51Å; I577-M775 HydrophobicContact CD1-CG 4.3Å; I577-M775 HydrophobicContact CD1-SD 3.47Å; I577-M775 WeakPolarHBondContact CD1-SD 3.42Å; I577-F806 HydrophobicContact CB-CD1 4.37Å; I577-F806 HydrophobicContact CB-CE1 4.19Å; I577-F806 HydrophobicContact CD1-CB 3.96Å; I577-F806 HydrophobicContact CD1-CD1 3.82Å; I577-F806 HydrophobicContact CD1-CD2 4.19Å; I577-F806 HydrophobicContact CD1-CE1 4.36Å; I577-F806 HydrophobicContact CD1-CG 3.72Å; I577-F806 HydrophobicContact CG1-CD1 3.96Å; I577-F806 HydrophobicContact CG1-CD2 4.31Å; I577-F806 HydrophobicContact CG1-CE1 3.98Å; I577-F806 HydrophobicContact CG1-CE2 4.34Å; I577-F806 HydrophobicContact CG1-CG 4.12Å; I577-F806 HydrophobicContact CG1-CZ 4.18Å; I577-L830 HydrophobicContact CG2-CD1 3.86Å; I577-L834 HydrophobicContact CG1-CD2 4.42Å; I577-L834 HydrophobicContact CG2-CD2 3.95Å
578	V	92.3	Very high	89.6	Confident	13 Å²	13	55.3 Å²	55.3	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-38.2	-176.4	164.3	0	0	0	0	114	V574 V580 Y581 R582 L834 S837	V574-V578 HydrophobicContact CG1-CG2 3.56Å; V574-V578 WeakPolarHBondContact O-CB 3.06Å; V574-V578 VanDerWaalsContact O-CG2 3.23Å; V574-V578 WeakPolarHBondContact O-CG2 3.35Å; V574-V578 PolarHBondContact O-N 3.27Å; V578-V580 PolarHBondContact O-N 3.46Å; V578-Y581 PolarHBondContact O-N 2.64Å; V578-R582 HydrophobicContact CG1-CG 4.2Å; V578-R582 VanDerWaalsContact CG1-CZ 3.46Å; V578-R582 VanDerWaalsContact CG1-NE 3.27Å; V578-R582 WeakPolarHBondContact O-CB 3.49Å; V578-R582 WeakPolarHBondContact O-CG 3.3Å; V578-R582 PolarHBondContact O-N 3.32Å; V578-L834 HydrophobicContact CG2-CD2 4Å; V578-S837 WeakPolarHBondContact CG1-OG 3.45Å
579	P	91.9	Very high	90.5	Very high	78 Å²	78	52.7 Å²	52.7	51%	0.506	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-42.1	175.9	-25.2	35.7	0	0	0	113	E575 K583	E575-P579 WeakPolarHBondContact O-CD 3.4Å; E575-P579 VanDerWaalsContact O-CG 3.31Å; E575-P579 WeakPolarHBondContact O-CG 3.5Å; P579-K583 WeakPolarHBondContact O-CB 3.25Å; P579-K583 PolarHBondContact O-N 2.73Å; P579-K583 VanDerWaalsContact O-N 3.13Å
580	V	91.5	Very high	91.3	Very high	14 Å²	14	52.2 Å²	52.2	9%	0.085	25%	0.246	C	C	.	.	H	α-helix	trans	-71	-42.6	178.4	-178.1	0	0	0	0	110.5	I577 V578 R582 K583 T584 M773 E804 F806	I577-V580 PolarHBondContact O-N 2.65Å; V578-V580 PolarHBondContact O-N 3.46Å; V580-R582 PolarHBondContact O-N 2.88Å; V580-K583 PolarHBondContact O-N 3.26Å; V580-T584 HydrophobicContact CG1-CG2 4.33Å; V580-T584 WeakPolarHBondContact O-CB 3.18Å; V580-T584 WeakPolarHBondContact O-CG2 3.45Å; V580-T584 PolarHBondContact O-N 2.7Å; V580-T584 PolarHBondContact O-OG1 3.15Å; V580-M773 HydrophobicContact CG1-SD 4.26Å; V580-E804 HydrophobicContact CG1-CB 3.93Å; V580-E804 HydrophobicContact CG1-CG 4.2Å; V580-F806 HydrophobicContact CB-CE2 4.29Å; V580-F806 HydrophobicContact CB-CZ 4.05Å; V580-F806 HydrophobicContact CG1-CE2 3.96Å; V580-F806 HydrophobicContact CG1-CZ 4.15Å; V580-F806 HydrophobicContact CG2-CZ 4.07Å
581	Y	93.1	Very high	91.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-44	175.1	-177.9	-93.4	0	0	0	112.8	I577 V578 T584 R587 I589 N624 M773 L834 S838	I577-Y581 WeakPolarHBondContact O-CB 3.44Å; I577-Y581 PolarHBondContact O-N 3.17Å; V578-Y581 PolarHBondContact O-N 2.64Å; Y581-T584 PolarHBondContact O-OG1 3.19Å; Y581-R587 VanDerWaalsContact CE2-NE 3.34Å; Y581-R587 WeakPolarHBondContact O-CD 3.48Å; Y581-R587 PolarHBondContact O-NH1 3.11Å; Y581-R587 PolarHBondContact OH-NH2 3.15Å; Y581-I589 HydrophobicContact CE2-CD1 4.26Å; Y581-N624 PolarHBondContact OH-ND2 2.81Å; Y581-N624 PolarHBondContact OH-OD1 3.32Å; Y581-M773 HydrophobicContact CD2-CE 4.13Å; Y581-M773 HydrophobicContact CD2-SD 4.17Å; Y581-L834 HydrophobicContact CD1-CD2 4.02Å; Y581-L834 HydrophobicContact CD2-CD2 3.75Å; Y581-L834 HydrophobicContact CE1-CB 4.37Å; Y581-L834 HydrophobicContact CE1-CD2 4.47Å; Y581-L834 WeakPolarHBondContact CE1-O 3.21Å; Y581-L834 HydrophobicContact CE2-CB 4.23Å; Y581-L834 HydrophobicContact CE2-CD2 4.21Å; Y581-L834 HydrophobicContact CG-CD2 3.64Å; Y581-S838 WeakPolarHBondContact CE1-OG 3.34Å; Y581-S838 PolarHBondContact OH-OG 3.42Å
582	R	91.3	Very high	92.2	Very high	123 Å²	123	43.8 Å²	43.8	46%	0.464	21%	0.212	S	C	.	.	H	α-helix	trans	-71.2	-28.2	177	-72	179.1	-172.3	173.4	5.8	113.5	V578 V580 S837	V578-R582 HydrophobicContact CG1-CG 4.2Å; V578-R582 VanDerWaalsContact CG1-CZ 3.46Å; V578-R582 VanDerWaalsContact CG1-NE 3.27Å; V578-R582 WeakPolarHBondContact O-CB 3.49Å; V578-R582 WeakPolarHBondContact O-CG 3.3Å; V578-R582 PolarHBondContact O-N 3.32Å; V580-R582 PolarHBondContact O-N 2.88Å; R582-S837 PolarHBondContact NE-OG 3.21Å; R582-S837 PolarHBondContact NH2-OG 3.25Å
583	K	91.8	Very high	92.2	Very high	158 Å²	158	43.6 Å²	43.6	69%	0.687	21%	0.211	S	C	*	.	H	α-helix	trans	-74.7	-40.1	177.3	178.2	-171.6	169.3	-161.4	0	111.8	P579 V580	P579-K583 WeakPolarHBondContact O-CB 3.25Å; P579-K583 PolarHBondContact O-N 2.73Å; P579-K583 VanDerWaalsContact O-N 3.13Å; V580-K583 PolarHBondContact O-N 3.26Å
584	T	91.3	Very high	92	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.055	20%	0.202	C	C	.	.			trans	-84.1	143.3	-172.9	48.8	0	0	0	0	112.8	V580 Y581 R587 E772 M773	V580-T584 HydrophobicContact CG1-CG2 4.33Å; V580-T584 WeakPolarHBondContact O-CB 3.18Å; V580-T584 WeakPolarHBondContact O-CG2 3.45Å; V580-T584 PolarHBondContact O-N 2.7Å; V580-T584 PolarHBondContact O-OG1 3.15Å; Y581-T584 PolarHBondContact O-OG1 3.19Å; T584-R587 PolarHBondContact O-NH1 2.85Å; T584-R587 VanDerWaalsContact OG1-CD 3.27Å; T584-R587 WeakPolarHBondContact OG1-CD 3.5Å; T584-R587 WeakPolarHBondContact OG1-CG 3.32Å; T584-E772 WeakPolarHBondContact CA-OE2 3.23Å; T584-E772 HydrophobicContact CG2-CB 3.57Å; T584-M773 HydrophobicContact CG2-CB 4.16Å
585	Q	90.5	Very high	91.7	Very high	98 Å²	98	40.8 Å²	40.8	46%	0.458	19%	0.192	S	C	.	.	S	Bend	trans	-108.3	-13.5	-176.2	-58.4	-59.9	-63	0	0	113.5	N623 E772	Q585-N623 WeakPolarHBondContact O-CB 3.44Å; Q585-N623 VanDerWaalsContact O-CG 3.24Å; Q585-N623 PolarHBondContact OE1-ND2 3.42Å; Q585-E772 PolarHBondContact N-OE2 2.97Å
586	R	92.3	Very high	91.9	Very high	66 Å²	66	32.7 Å²	32.7	25%	0.249	16%	0.155	C	C	.	.	S	Bend	trans	-130.4	107.8	175.2	-62.8	-178.1	-54.3	-61.5	-9.6	109.1	P770 E772 M773	R586-P770 PolarHBondContact NE-O 2.75Å; R586-P770 PolarHBondContact NH2-O 2.65Å; R586-E772 HydrophobicContact CB-CG 4.49Å; R586-E772 IonicContact CZ-OE1 2.83Å; R586-E772 IonicContact NH1-OE1 3.56Å; R586-E772 PolarHBondContact NH1-OE1 2.58Å; R586-E772 IonicContact NH2-OE1 3.77Å; R586-E772 PolarHBondContact NH2-OE1 3.05Å; R586-E772 PolarHBondContact O-N 2.85Å; R586-M773 PolarHBondContact O-N 3.33Å
587	R	94	Very high	91.9	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.9	-167	-53.1	-178.6	-58.9	-129.6	-2.4	110.4	Y581 T584 D621 N623 N624 T625 M773	Y581-R587 VanDerWaalsContact CE2-NE 3.34Å; Y581-R587 WeakPolarHBondContact O-CD 3.48Å; Y581-R587 PolarHBondContact O-NH1 3.11Å; Y581-R587 PolarHBondContact OH-NH2 3.15Å; T584-R587 PolarHBondContact O-NH1 2.85Å; T584-R587 VanDerWaalsContact OG1-CD 3.27Å; T584-R587 WeakPolarHBondContact OG1-CD 3.5Å; T584-R587 WeakPolarHBondContact OG1-CG 3.32Å; R587-D621 IonicContact CZ-OD2 2.74Å; R587-D621 IonicContact NH2-OD1 3.79Å; R587-D621 PolarHBondContact NH2-OD1 2.86Å; R587-D621 IonicContact NH2-OD2 2.84Å; R587-D621 PolarHBondContact NH2-OD2 3.06Å; R587-N623 PolarHBondContact N-O 2.71Å; R587-N624 VanDerWaalsContact CZ-OD1 3.26Å; R587-N624 PolarHBondContact NE-OD1 2.92Å; R587-N624 PolarHBondContact NH2-OD1 2.74Å; R587-N624 WeakPolarHBondContact O-CA 3.45Å; R587-T625 PolarHBondContact O-N 3.39Å; R587-M773 WeakPolarHBondContact CA-O 3.32Å; R587-M773 HydrophobicContact CG-CB 4.3Å
588	A	94.9	Very high	91.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.4	174.4	0	0	0	0	0	110	F590 T625 M764 P771 M773 V774 M775	A588-F590 HydrophobicContact CB-CE2 3.97Å; A588-F590 HydrophobicContact CB-CZ 4.4Å; A588-T625 WeakPolarHBondContact CA-O 3.38Å; A588-M764 HydrophobicContact CB-CE 4.44Å; A588-M764 HydrophobicContact CB-SD 4.03Å; A588-P771 HydrophobicContact CB-CB 4.21Å; A588-M773 PolarHBondContact N-O 2.83Å; A588-V774 HydrophobicContact CB-CG1 4.4Å; A588-V774 HydrophobicContact CB-CG2 4.33Å; A588-V774 WeakPolarHBondContact O-CA 3.33Å; A588-M775 PolarHBondContact O-N 3.42Å
589	I	96.3	Very high	90.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	114.4	-178.4	-60.8	177.6	0	0	0	108.9	Y581 L591 T625 V626 F627 M775	Y581-I589 HydrophobicContact CE2-CD1 4.26Å; I589-L591 HydrophobicContact CG2-CD1 4.32Å; I589-L591 HydrophobicContact CG2-CD2 4.16Å; I589-L591 HydrophobicContact CG2-CG 4.05Å; I589-T625 PolarHBondContact N-O 3.44Å; I589-V626 HydrophobicContact CB-CG1 4.33Å; I589-V626 HydrophobicContact CB-CG2 4.42Å; I589-V626 HydrophobicContact CD1-CG2 4.46Å; I589-V626 HydrophobicContact CG2-CG1 4.18Å; I589-V626 CarbonylContact O-C 3.57Å; I589-V626 WeakPolarHBondContact O-CA 3.43Å; I589-F627 PolarHBondContact O-N 3.23Å; I589-M775 CarbonylContact C-O 3.2Å; I589-M775 WeakPolarHBondContact CA-O 3.24Å; I589-M775 HydrophobicContact CB-CE 4.44Å; I589-M775 HydrophobicContact CD1-CE 4.2Å; I589-M775 HydrophobicContact CG1-CB 4.45Å; I589-M775 HydrophobicContact CG1-CE 4.18Å; I589-M775 HydrophobicContact CG2-CE 3.54Å
590	F	97.1	Very high	89.6	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.7	174.8	-57	-79.4	0	0	0	109.9	A588 F627 V629 A757 V760 I761 V774 M775 C776 I777 M786 I790	A588-F590 HydrophobicContact CB-CE2 3.97Å; A588-F590 HydrophobicContact CB-CZ 4.4Å; F590-F627 WeakPolarHBondContact CA-O 3.37Å; F590-F627 HydrophobicContact CD1-CB 3.76Å; F590-F627 HydrophobicContact CE1-CB 4.06Å; F590-F627 HydrophobicContact CE1-CD2 4.45Å; F590-F627 HydrophobicContact CE1-CG 4.39Å; F590-V629 HydrophobicContact CB-CG2 4.18Å; F590-V629 HydrophobicContact CD1-CG2 3.75Å; F590-V629 HydrophobicContact CG-CG2 4.43Å; F590-A757 HydrophobicContact CD1-CB 4.05Å; F590-A757 HydrophobicContact CD2-CB 4.31Å; F590-A757 HydrophobicContact CE1-CB 3.95Å; F590-A757 HydrophobicContact CE2-CB 4.21Å; F590-A757 HydrophobicContact CG-CB 4.23Å; F590-A757 HydrophobicContact CZ-CB 4.03Å; F590-V760 HydrophobicContact CE1-CB 3.85Å; F590-V760 HydrophobicContact CE1-CG1 3.8Å; F590-V760 HydrophobicContact CE1-CG2 4.31Å; F590-V760 HydrophobicContact CZ-CB 3.95Å; F590-V760 HydrophobicContact CZ-CG1 3.79Å; F590-I761 HydrophobicContact CE2-CD1 4.02Å; F590-I761 HydrophobicContact CE2-CG1 3.99Å; F590-I761 HydrophobicContact CZ-CD1 4.4Å; F590-I761 HydrophobicContact CZ-CG1 3.99Å; F590-V774 HydrophobicContact CD2-CG1 4.1Å; F590-V774 HydrophobicContact CE2-CG1 3.99Å; F590-M775 PolarHBondContact N-O 2.87Å; F590-C776 HydrophobicContact CB-CB 4.01Å; F590-C776 CarbonylContact O-C 3.42Å; F590-C776 VanDerWaalsContact O-CA 3.25Å; F590-C776 WeakPolarHBondContact O-CA 3.48Å; F590-I777 PolarHBondContact O-N 3.4Å; F590-M786 HydrophobicContact CB-SD 3.93Å; F590-I790 HydrophobicContact CD2-CD1 3.81Å; F590-I790 HydrophobicContact CE2-CD1 4.29Å; F590-I790 HydrophobicContact CG-CD1 4.44Å
591	L	96.4	Very high	87.9	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.6	179.4	-55.5	170.5	0	0	0	108.9	I589 L597 L615 F627 I628 V629 I777 L831	I589-L591 HydrophobicContact CG2-CD1 4.32Å; I589-L591 HydrophobicContact CG2-CD2 4.16Å; I589-L591 HydrophobicContact CG2-CG 4.05Å; L591-L597 HydrophobicContact CB-CD1 4.05Å; L591-L597 HydrophobicContact CD1-CD1 4.18Å; L591-L597 HydrophobicContact CD1-CD2 4.5Å; L591-L615 HydrophobicContact CD1-CD2 3.69Å; L591-F627 PolarHBondContact N-O 3.32Å; L591-I628 HydrophobicContact CB-CD1 3.94Å; L591-I628 HydrophobicContact CD1-CD1 4.29Å; L591-I628 CarbonylContact O-C 3.6Å; L591-I628 VanDerWaalsContact O-CA 3.28Å; L591-I628 WeakPolarHBondContact O-CA 3.48Å; L591-V629 PolarHBondContact O-N 2.95Å; L591-I777 CarbonylContact C-O 3.39Å; L591-I777 WeakPolarHBondContact CA-O 3.34Å; L591-I777 HydrophobicContact CD2-CB 3.81Å; L591-I777 HydrophobicContact CD2-CD1 3.76Å; L591-I777 HydrophobicContact CD2-CG1 3.76Å; L591-L831 HydrophobicContact CD1-CD1 3.84Å; L591-L831 HydrophobicContact CD1-CD2 4.27Å; L591-L831 HydrophobicContact CD2-CD1 4.23Å; L591-L831 HydrophobicContact CD2-CD2 4.04Å
592	D	94.3	Very high	85.8	Confident	5 Å²	5	39 Å²	39	3%	0.027	20%	0.197	C	C	.	.			trans	-71.8	162.8	159.6	-162.6	18.5	0	0	0	110.7	L597 S630 K753 I777	D592-L597 WeakPolarHBondContact O-CD1 3.32Å; D592-L597 WeakPolarHBondContact O-CG 3.15Å; D592-S630 WeakPolarHBondContact OD1-CA 3.47Å; D592-K753 IonicContact OD1-NZ 3.6Å; D592-K753 IonicContact OD2-NZ 2.7Å; D592-K753 PolarHBondContact OD2-NZ 3.09Å; D592-I777 PolarHBondContact N-O 3.36Å
593	Y	91.6	Very high	84	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-99.2	-65.6	-175.8	-172.5	-97.1	0	0	0	111.5	L597 V598 Q605 P607 I628 L637 W640 L641	Y593-L597 PolarHBondContact O-N 3.48Å; Y593-V598 HydrophobicContact CE1-CB 4.31Å; Y593-V598 HydrophobicContact CE1-CG2 3.97Å; Y593-V598 HydrophobicContact CE2-CG2 4.13Å; Y593-V598 PolarHBondContact O-N 3.27Å; Y593-Q605 PolarHBondContact OH-O 3.18Å; Y593-P607 HydrophobicContact CE2-CB 4.22Å; Y593-P607 WeakPolarHBondContact OH-CB 3.26Å; Y593-P607 WeakPolarHBondContact OH-CD 3.41Å; Y593-I628 HydrophobicContact CD2-CG2 4.23Å; Y593-I628 HydrophobicContact CG-CG2 4.49Å; Y593-L637 HydrophobicContact CD1-CD2 4.35Å; Y593-L637 HydrophobicContact CD2-CD2 4.21Å; Y593-L637 HydrophobicContact CG-CD2 4.13Å; Y593-W640 AromaticContact CE1-CE3 3.84Å; Y593-W640 HydrophobicContact CE1-CE3 3.84Å; Y593-W640 AromaticContact CE1-CZ3 3.72Å; Y593-W640 HydrophobicContact CE1-CZ3 3.72Å; Y593-W640 AromaticContact CZ-CE3 3.75Å; Y593-L641 HydrophobicContact CE2-CD2 4.32Å
594	D	86.1	Confident	82.1	Confident	28 Å²	28	39.1 Å²	39.1	15%	0.15	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-60.1	139	173.3	-56.1	-108.9	0	0	0	110.1	T596 Q605 S630 R632	D594-T596 PolarHBondContact O-N 3.3Å; D594-Q605 PolarHBondContact OD1-OE1 2.8Å; D594-S630 PolarHBondContact OD2-OG 3.15Å; D594-R632 IonicContact OD1-CZ 2.85Å; D594-R632 IonicContact OD1-NE 3.34Å; D594-R632 PolarHBondContact OD1-NE 3.16Å; D594-R632 IonicContact OD1-NH2 3.11Å; D594-R632 PolarHBondContact OD1-NH2 3.14Å; D594-R632 IonicContact OD2-NE 2.7Å; D594-R632 PolarHBondContact OD2-NE 3.49Å
595	G	82.5	Confident	81.1	Confident	9 Å²	9	39.6 Å²	39.6	9%	0.093	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	-19.9	177.1	0	0	0	0	0	116.5	V598 D779 E824	G595-V598 PolarHBondContact N-O 3.11Å; G595-D779 WeakPolarHBondContact CA-OD1 3.26Å; G595-E824 WeakPolarHBondContact O-CG 3.39Å
596	T	89.8	Confident	80.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-38.9	-172.5	-71.8	0	0	0	0	113.3	D594 I777 G778 D779 V810	D594-T596 PolarHBondContact O-N 3.3Å; T596-I777 HydrophobicContact CG2-CB 4.23Å; T596-I777 HydrophobicContact CG2-CG2 3.79Å; T596-G778 VanDerWaalsContact OG1-C 3.31Å; T596-G778 WeakPolarHBondContact OG1-CA 3.36Å; T596-D779 PolarHBondContact N-OD1 3.39Å; T596-D779 PolarHBondContact OG1-N 3.21Å; T596-D779 PolarHBondContact OG1-OD1 3.2Å; T596-V810 HydrophobicContact CG2-CG2 3.99Å
597	L	89.7	Confident	80.3	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-25.9	174.2	-68	175.7	0	0	0	113	L591 D592 Y593 V611 L615 I628 V827 L828 L831	L591-L597 HydrophobicContact CB-CD1 4.05Å; L591-L597 HydrophobicContact CD1-CD1 4.18Å; L591-L597 HydrophobicContact CD1-CD2 4.5Å; D592-L597 WeakPolarHBondContact O-CD1 3.32Å; D592-L597 WeakPolarHBondContact O-CG 3.15Å; Y593-L597 PolarHBondContact O-N 3.48Å; L597-V611 HydrophobicContact CB-CG1 4.25Å; L597-V611 WeakPolarHBondContact O-CG2 3.49Å; L597-L615 HydrophobicContact CD1-CD1 4.38Å; L597-L615 HydrophobicContact CD1-CD2 4.29Å; L597-I628 HydrophobicContact CD1-CD1 3.68Å; L597-V827 HydrophobicContact CD2-CG1 4.11Å; L597-L828 HydrophobicContact CD2-CD2 4.34Å; L597-L831 HydrophobicContact CD2-CD1 3.67Å
598	V	86.2	Confident	80	Confident	8 Å²	8	39.7 Å²	39.7	5%	0.048	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-134.7	127.7	179	-178.1	0	0	0	0	108.9	Y593 G595 E600 Q605 P607	Y593-V598 HydrophobicContact CE1-CB 4.31Å; Y593-V598 HydrophobicContact CE1-CG2 3.97Å; Y593-V598 HydrophobicContact CE2-CG2 4.13Å; Y593-V598 PolarHBondContact O-N 3.27Å; G595-V598 PolarHBondContact N-O 3.11Å; V598-E600 PolarHBondContact O-N 2.93Å; V598-Q605 HydrophobicContact CG1-CB 4.19Å; V598-P607 HydrophobicContact CG2-CB 4.27Å
599	P	75.9	Confident	79.7	Confident	45 Å²	45	46.4 Å²	46.4	29%	0.292	27%	0.268	S	S	.	.			trans	-61.3	120.5	-177.5	19.5	-31	0	0	0	112.5	S601 S602 E824	P599-S601 PolarHBondContact O-N 3.41Å; P599-S602 PolarHBondContact O-N 3.41Å; P599-S602 VanDerWaalsContact O-N 3.15Å; P599-S602 PolarHBondContact O-OG 3.34Å; P599-S602 VanDerWaalsContact O-OG 3.11Å; P599-E824 WeakPolarHBondContact CB-OE1 3.34Å
600	E	64.6	Low	79.4	Confident	110 Å²	110	50.6 Å²	50.6	51%	0.514	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-33.9	-177.1	-171.2	-171.1	-144.1	0	0	113	V598 S602 Q605	V598-E600 PolarHBondContact O-N 2.93Å; E600-S602 PolarHBondContact O-N 2.87Å; E600-Q605 PolarHBondContact O-NE2 3.28Å; E600-Q605 VanDerWaalsContact O-NE2 3.14Å
601	S	55.2	Low	79.1	Confident	111 Å²	111	50.7 Å²	50.7	78%	0.776	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	0.9	-178.9	65.1	0	0	0	0	116.7	P599	P599-S601 PolarHBondContact O-N 3.41Å
602	S	50.2	Low	78.9	Confident	42 Å²	42	51.6 Å²	51.6	29%	0.294	29%	0.294	S	S	.	.			trans	-95	129.8	-175.5	-50.6	0	0	0	0	112.3	P599 E600 V604 Q605	P599-S602 PolarHBondContact O-N 3.41Å; P599-S602 VanDerWaalsContact O-N 3.15Å; P599-S602 PolarHBondContact O-OG 3.34Å; P599-S602 VanDerWaalsContact O-OG 3.11Å; E600-S602 PolarHBondContact O-N 2.87Å; S602-V604 VanDerWaalsContact C-N 3.33Å; S602-V604 WeakPolarHBondContact CB-O 3.31Å; S602-Q605 WeakPolarHBondContact O-CG 3.5Å; S602-Q605 PolarHBondContact O-NE2 3Å
603	I	52.7	Low	78.8	Confident	178 Å²	178	55 Å²	55	91%	0.913	32%	0.318	S	S	*	.	S	Bend	trans	-70.3	-32.6	176.5	-60.6	174.6	0	0	0	111.3
604	V	53.1	Low	78.8	Confident	104 Å²	104	55.4 Å²	55.4	63%	0.63	32%	0.32	S	S	*	.	S	Bend	trans	-105.9	126	168.7	-162.2	0	0	0	0	106.5	S602 D606	S602-V604 VanDerWaalsContact C-N 3.33Å; S602-V604 WeakPolarHBondContact CB-O 3.31Å; V604-D606 VanDerWaalsContact CG1-OD1 3.24Å; V604-D606 WeakPolarHBondContact CG1-OD1 3.39Å
605	Q	69.4	Low	79.2	Confident	19 Å²	19	54.1 Å²	54.1	9%	0.089	31%	0.313	C	S	.	.			trans	-121.7	40	-174.5	-58.1	-161.7	9.4	0	0	111.5	Y593 D594 V598 E600 S602 R632 W640	Y593-Q605 PolarHBondContact OH-O 3.18Å; D594-Q605 PolarHBondContact OD1-OE1 2.8Å; V598-Q605 HydrophobicContact CG1-CB 4.19Å; E600-Q605 PolarHBondContact O-NE2 3.28Å; E600-Q605 VanDerWaalsContact O-NE2 3.14Å; S602-Q605 WeakPolarHBondContact O-CG 3.5Å; S602-Q605 PolarHBondContact O-NE2 3Å; Q605-R632 VanDerWaalsContact CD-NH2 3.29Å; Q605-R632 VanDerWaalsContact OE1-CZ 3.25Å; Q605-W640 HydrophobicContact CB-CH2 4.17Å; Q605-W640 HydrophobicContact CB-CZ3 4.46Å; Q605-W640 WeakPolarHBondContact O-CZ3 3.36Å
606	D	80.5	Confident	79.6	Confident	96 Å²	96	58.1 Å²	58.1	51%	0.513	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-69.4	139.9	165.7	60	-57.2	0	0	0	110	V604	V604-D606 VanDerWaalsContact CG1-OD1 3.24Å; V604-D606 WeakPolarHBondContact CG1-OD1 3.39Å
607	P	85.8	Confident	79.7	Confident	12 Å²	12	60 Å²	60	8%	0.078	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-75.7	133.2	-176.2	29.4	-28	0	0	0	108.6	Y593 V598 V611 V612 W640 L641	Y593-P607 HydrophobicContact CE2-CB 4.22Å; Y593-P607 WeakPolarHBondContact OH-CB 3.26Å; Y593-P607 WeakPolarHBondContact OH-CD 3.41Å; V598-P607 HydrophobicContact CG2-CB 4.27Å; P607-V611 HydrophobicContact CB-CB 4.11Å; P607-V611 HydrophobicContact CB-CG1 4Å; P607-V612 HydrophobicContact CB-CG2 4.05Å; P607-V612 HydrophobicContact CG-CG2 3.77Å; P607-W640 HydrophobicContact CG-CB 4.03Å; P607-L641 HydrophobicContact CG-CD2 4.3Å
608	S	87.5	Confident	79.9	Confident	59 Å²	59	59.8 Å²	59.8	41%	0.413	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-60	153.6	-179.3	87.2	0	0	0	0	111.2	E610 V611 V612	S608-E610 PolarHBondContact O-N 3.25Å; S608-E610 PolarHBondContact OG-N 2.86Å; S608-V611 WeakPolarHBondContact O-CA 3.45Å; S608-V611 WeakPolarHBondContact O-CB 3.48Å; S608-V611 PolarHBondContact O-N 2.99Å; S608-V611 PolarHBondContact OG-N 2.75Å; S608-V612 PolarHBondContact O-N 2.81Å
609	N	88.1	Confident	80.2	Confident	142 Å²	142	59.8 Å²	59.8	76%	0.759	34%	0.343	S	S	*	.	H	α-helix	trans	-54.3	-24.1	176.3	-70.6	-53.1	0	0	0	113	S613	N609-S613 VanDerWaalsContact O-CB 3.27Å; N609-S613 WeakPolarHBondContact O-CB 3.35Å; N609-S613 PolarHBondContact O-N 3.42Å; N609-S613 PolarHBondContact O-OG 3.2Å
610	E	90	Very high	80.9	Confident	89 Å²	89	62.8 Å²	62.8	42%	0.416	35%	0.353	S	S	.	.	H	α-helix	trans	-71.9	-47	173.1	178	160.1	-142.2	0	0	112.2	S608 V612 S613 V614 R832	S608-E610 PolarHBondContact O-N 3.25Å; S608-E610 PolarHBondContact OG-N 2.86Å; E610-V612 PolarHBondContact O-N 2.8Å; E610-S613 PolarHBondContact O-N 2.91Å; E610-V614 WeakPolarHBondContact O-CG2 3.5Å; E610-V614 PolarHBondContact O-N 2.58Å; E610-R832 IonicContact OE1-CZ 3.61Å; E610-R832 IonicContact OE1-NH1 3.77Å; E610-R832 PolarHBondContact OE1-NH1 3.13Å; E610-R832 IonicContact OE1-NH2 3.67Å; E610-R832 PolarHBondContact OE1-NH2 3.45Å
611	V	90.7	Very high	82.2	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-55.4	-52	173.4	-179.1	0	0	0	0	110	L597 P607 S608 S613 V614 L615 L828	L597-V611 HydrophobicContact CB-CG1 4.25Å; L597-V611 WeakPolarHBondContact O-CG2 3.49Å; P607-V611 HydrophobicContact CB-CB 4.11Å; P607-V611 HydrophobicContact CB-CG1 4Å; S608-V611 WeakPolarHBondContact O-CA 3.45Å; S608-V611 WeakPolarHBondContact O-CB 3.48Å; S608-V611 PolarHBondContact O-N 2.99Å; S608-V611 PolarHBondContact OG-N 2.75Å; V611-S613 VanDerWaalsContact C-N 3.34Å; V611-S613 PolarHBondContact O-N 2.58Å; V611-V614 PolarHBondContact O-N 2.99Å; V611-L615 HydrophobicContact CG1-CD1 3.94Å; V611-L615 HydrophobicContact CG1-CG 4.37Å; V611-L615 WeakPolarHBondContact O-CG 3.39Å; V611-L615 PolarHBondContact O-N 2.97Å; V611-L828 HydrophobicContact CB-CD2 4.28Å; V611-L828 HydrophobicContact CG1-CD2 4.48Å; V611-L828 HydrophobicContact CG2-CD1 4.06Å; V611-L828 HydrophobicContact CG2-CD2 3.91Å
612	V	92.6	Very high	83.9	Confident	19 Å²	19	58.7 Å²	58.7	12%	0.115	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-42.2	-179	178.1	0	0	0	0	111.4	P607 S608 E610 K616 P643	P607-V612 HydrophobicContact CB-CG2 4.05Å; P607-V612 HydrophobicContact CG-CG2 3.77Å; S608-V612 PolarHBondContact O-N 2.81Å; E610-V612 PolarHBondContact O-N 2.8Å; V612-K616 VanDerWaalsContact O-CB 3.26Å; V612-K616 WeakPolarHBondContact O-CB 3.26Å; V612-K616 PolarHBondContact O-N 3.04Å; V612-P643 HydrophobicContact CG1-CB 3.78Å; V612-P643 HydrophobicContact CG1-CG 3.91Å
613	S	92	Very high	85.9	Confident	77 Å²	77	58.6 Å²	58.6	54%	0.538	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-39.4	178.5	-62.3	0	0	0	0	112.6	N609 E610 V611 A617	N609-S613 VanDerWaalsContact O-CB 3.27Å; N609-S613 WeakPolarHBondContact O-CB 3.35Å; N609-S613 PolarHBondContact O-N 3.42Å; N609-S613 PolarHBondContact O-OG 3.2Å; E610-S613 PolarHBondContact O-N 2.91Å; V611-S613 VanDerWaalsContact C-N 3.34Å; V611-S613 PolarHBondContact O-N 2.58Å; S613-A617 WeakPolarHBondContact O-CB 3.24Å; S613-A617 PolarHBondContact O-N 3.45Å
614	V	92.5	Very high	87.9	Confident	7 Å²	7	51 Å²	51	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-72.4	-44.1	179.4	171.2	0	0	0	0	111.4	E610 V611 K616 A617 L618 L831 R832	E610-V614 WeakPolarHBondContact O-CG2 3.5Å; E610-V614 PolarHBondContact O-N 2.58Å; V611-V614 PolarHBondContact O-N 2.99Å; V614-K616 VanDerWaalsContact C-N 3.32Å; V614-K616 PolarHBondContact O-N 3.03Å; V614-A617 PolarHBondContact O-N 2.62Å; V614-L618 PolarHBondContact O-N 3.42Å; V614-L618 VanDerWaalsContact O-N 3.1Å; V614-L831 HydrophobicContact CG1-CB 3.43Å; V614-L831 VanDerWaalsContact CG1-CB 3.43Å; V614-R832 HydrophobicContact CG2-CB 4.14Å
615	L	93.6	Very high	89.9	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-44.7	173.1	-71.6	176.6	0	0	0	111.1	L591 L597 V611 A617 L618 C619 I628 L641 L647	L591-L615 HydrophobicContact CD1-CD2 3.69Å; L597-L615 HydrophobicContact CD1-CD1 4.38Å; L597-L615 HydrophobicContact CD1-CD2 4.29Å; V611-L615 HydrophobicContact CG1-CD1 3.94Å; V611-L615 HydrophobicContact CG1-CG 4.37Å; V611-L615 WeakPolarHBondContact O-CG 3.39Å; V611-L615 PolarHBondContact O-N 2.97Å; L615-A617 PolarHBondContact O-N 3.29Å; L615-L618 PolarHBondContact O-N 2.93Å; L615-C619 WeakPolarHBondContact O-CB 3.5Å; L615-C619 PolarHBondContact O-N 3.19Å; L615-C619 PolarHBondContact O-SG 2.83Å; L615-I628 HydrophobicContact CD1-CD1 4.29Å; L615-I628 HydrophobicContact CD2-CD1 4.09Å; L615-L641 HydrophobicContact CD1-CD2 3.79Å; L615-L647 HydrophobicContact CD1-CD2 4.15Å
616	K	91.9	Very high	91.1	Very high	93 Å²	93	47 Å²	47	40%	0.404	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-45.9	176.1	-178.2	169.5	176.6	167.6	0	112.4	V612 V614 L618 C619 E620	V612-K616 VanDerWaalsContact O-CB 3.26Å; V612-K616 WeakPolarHBondContact O-CB 3.26Å; V612-K616 PolarHBondContact O-N 3.04Å; V614-K616 VanDerWaalsContact C-N 3.32Å; V614-K616 PolarHBondContact O-N 3.03Å; K616-L618 VanDerWaalsContact C-N 3.26Å; K616-L618 PolarHBondContact O-N 2.9Å; K616-C619 CarbonylContact O-C 3.56Å; K616-C619 PolarHBondContact O-N 3.32Å; K616-E620 WeakPolarHBondContact CE-OE1 3.43Å; K616-E620 HydrophobicContact CG-CG 4.44Å; K616-E620 WeakPolarHBondContact O-CG 3.43Å; K616-E620 PolarHBondContact O-N 3.35Å
617	A	92.2	Very high	91.9	Very high	39 Å²	39	42.5 Å²	42.5	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-33.8	178	0	0	0	0	0	113	S613 V614 L615	S613-A617 WeakPolarHBondContact O-CB 3.24Å; S613-A617 PolarHBondContact O-N 3.45Å; V614-A617 PolarHBondContact O-N 2.62Å; L615-A617 PolarHBondContact O-N 3.29Å
618	L	93.2	Very high	92.4	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-72.6	-35.9	172.5	-69.6	171	0	0	0	112.8	V614 L615 K616 E620 N624 V626 L831 L834	V614-L618 PolarHBondContact O-N 3.42Å; V614-L618 VanDerWaalsContact O-N 3.1Å; L615-L618 PolarHBondContact O-N 2.93Å; K616-L618 VanDerWaalsContact C-N 3.26Å; K616-L618 PolarHBondContact O-N 2.9Å; L618-E620 VanDerWaalsContact C-N 3.3Å; L618-E620 PolarHBondContact O-N 2.86Å; L618-N624 PolarHBondContact O-ND2 3.15Å; L618-V626 HydrophobicContact CB-CG2 4.19Å; L618-L831 HydrophobicContact CD1-CB 4Å; L618-L831 HydrophobicContact CD1-CD2 3.87Å; L618-L831 HydrophobicContact CD1-CG 4.41Å; L618-L834 HydrophobicContact CD2-CB 3.74Å
619	C	92.8	Very high	92.7	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-79.7	-7	179.2	-62.7	0	0	0	0	114	L615 K616 N646	L615-C619 WeakPolarHBondContact O-CB 3.5Å; L615-C619 PolarHBondContact O-N 3.19Å; L615-C619 PolarHBondContact O-SG 2.83Å; K616-C619 CarbonylContact O-C 3.56Å; K616-C619 PolarHBondContact O-N 3.32Å; C619-N646 HydrophobicContact CB-CB 4.13Å; C619-N646 WeakPolarHBondContact O-CB 3.32Å; C619-N646 PolarHBondContact O-ND2 3.44Å
620	E	91.1	Very high	92.9	Very high	107 Å²	107	32.4 Å²	32.4	50%	0.5	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6	172.9	-79.1	-174.5	-160.8	0	0	113.7	K616 L618	K616-E620 WeakPolarHBondContact CE-OE1 3.43Å; K616-E620 HydrophobicContact CG-CG 4.44Å; K616-E620 WeakPolarHBondContact O-CG 3.43Å; K616-E620 PolarHBondContact O-N 3.35Å; L618-E620 VanDerWaalsContact C-N 3.3Å; L618-E620 PolarHBondContact O-N 2.86Å
621	D	91.8	Very high	92.7	Very high	14 Å²	14	28.8 Å²	28.8	8%	0.075	17%	0.17	C	C	.	.	S	Bend	trans	-91.9	117.2	170.2	-169.8	-31.8	0	0	0	109.9	R587 N623 N624 S838	R587-D621 IonicContact CZ-OD2 2.74Å; R587-D621 IonicContact NH2-OD1 3.79Å; R587-D621 PolarHBondContact NH2-OD1 2.86Å; R587-D621 IonicContact NH2-OD2 2.84Å; R587-D621 PolarHBondContact NH2-OD2 3.06Å; D621-N623 PolarHBondContact O-N 3.08Å; D621-N623 VanDerWaalsContact O-N 3.17Å; D621-N623 WeakPolarHBondContact OD1-CB 3.45Å; D621-N623 PolarHBondContact OD1-N 2.76Å; D621-N624 PolarHBondContact O-N 3.49Å; D621-N624 VanDerWaalsContact O-N 3.13Å; D621-S838 WeakPolarHBondContact OD2-CB 2.94Å; D621-S838 PolarHBondContact OD2-OG 2.9Å
622	P	90.6	Very high	92.5	Very high	121 Å²	121	32 Å²	32	79%	0.786	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.4	-177.5	29.8	-37	0	0	0	113.9	N624	P622-N624 PolarHBondContact O-N 3.06Å
623	N	92.4	Very high	92.2	Very high	40 Å²	40	32 Å²	32	21%	0.214	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.3	176.9	-69.3	4.5	0	0	0	112.8	Q585 R587 D621	Q585-N623 WeakPolarHBondContact O-CB 3.44Å; Q585-N623 VanDerWaalsContact O-CG 3.24Å; Q585-N623 PolarHBondContact OE1-ND2 3.42Å; R587-N623 PolarHBondContact N-O 2.71Å; D621-N623 PolarHBondContact O-N 3.08Å; D621-N623 VanDerWaalsContact O-N 3.17Å; D621-N623 WeakPolarHBondContact OD1-CB 3.45Å; D621-N623 PolarHBondContact OD1-N 2.76Å
624	N	94.1	Very high	92.1	Very high	18 Å²	18	31.6 Å²	31.6	10%	0.096	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.8	179	-72.2	-15.5	0	0	0	112.7	Y581 R587 L618 D621 P622 V626	Y581-N624 PolarHBondContact OH-ND2 2.81Å; Y581-N624 PolarHBondContact OH-OD1 3.32Å; R587-N624 VanDerWaalsContact CZ-OD1 3.26Å; R587-N624 PolarHBondContact NE-OD1 2.92Å; R587-N624 PolarHBondContact NH2-OD1 2.74Å; R587-N624 WeakPolarHBondContact O-CA 3.45Å; L618-N624 PolarHBondContact O-ND2 3.15Å; D621-N624 PolarHBondContact O-N 3.49Å; D621-N624 VanDerWaalsContact O-N 3.13Å; P622-N624 PolarHBondContact O-N 3.06Å; N624-V626 HydrophobicContact CB-CG2 3.94Å
625	T	94.7	Very high	91.9	Very high	36 Å²	36	38.1 Å²	38.1	22%	0.221	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	105.6	158.4	-64.6	0	0	0	0	107.5	R587 A588 I589 F627 W659 V760 M764	R587-T625 PolarHBondContact O-N 3.39Å; A588-T625 WeakPolarHBondContact CA-O 3.38Å; I589-T625 PolarHBondContact N-O 3.44Å; T625-F627 HydrophobicContact CG2-CD2 3.88Å; T625-F627 HydrophobicContact CG2-CE2 3.68Å; T625-W659 HydrophobicContact CG2-CZ3 4.07Å; T625-V760 HydrophobicContact CG2-CG1 4.37Å; T625-M764 HydrophobicContact CG2-CE 4.48Å; T625-M764 HydrophobicContact CG2-SD 3.94Å
626	V	95.7	Very high	91.6	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.9	-176.6	-168	0	0	0	0	109.7	I589 L618 N624 L647 G648	I589-V626 HydrophobicContact CB-CG1 4.33Å; I589-V626 HydrophobicContact CB-CG2 4.42Å; I589-V626 HydrophobicContact CD1-CG2 4.46Å; I589-V626 HydrophobicContact CG2-CG1 4.18Å; I589-V626 CarbonylContact O-C 3.57Å; I589-V626 WeakPolarHBondContact O-CA 3.43Å; L618-V626 HydrophobicContact CB-CG2 4.19Å; N624-V626 HydrophobicContact CB-CG2 3.94Å; V626-L647 HydrophobicContact CB-CD1 3.95Å; V626-L647 HydrophobicContact CG1-CD1 3.67Å; V626-G648 WeakPolarHBondContact O-CA 3.33Å; V626-G648 PolarHBondContact O-N 2.76Å
627	F	96.5	Very high	91.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.5	176.9	-89.7	-91.8	0	0	0	111.8	I589 F590 L591 T625 V629 G648 I657 W659 V760	I589-F627 PolarHBondContact O-N 3.23Å; F590-F627 WeakPolarHBondContact CA-O 3.37Å; F590-F627 HydrophobicContact CD1-CB 3.76Å; F590-F627 HydrophobicContact CE1-CB 4.06Å; F590-F627 HydrophobicContact CE1-CD2 4.45Å; F590-F627 HydrophobicContact CE1-CG 4.39Å; L591-F627 PolarHBondContact N-O 3.32Å; T625-F627 HydrophobicContact CG2-CD2 3.88Å; T625-F627 HydrophobicContact CG2-CE2 3.68Å; F627-V629 HydrophobicContact CB-CG2 4.24Å; F627-G648 WeakPolarHBondContact CA-O 3.41Å; F627-I657 HydrophobicContact CE1-CG2 3.81Å; F627-I657 HydrophobicContact CZ-CG2 4.36Å; F627-W659 HydrophobicContact CE2-CD2 4.35Å; F627-W659 AromaticContact CE2-CE3 3.79Å; F627-W659 HydrophobicContact CE2-CE3 3.79Å; F627-W659 AromaticContact CE2-CZ3 3.91Å; F627-W659 HydrophobicContact CE2-CZ3 3.91Å; F627-W659 AromaticContact CZ-CD2 3.81Å; F627-W659 HydrophobicContact CZ-CD2 3.81Å; F627-W659 AromaticContact CZ-CE3 3.73Å; F627-W659 HydrophobicContact CZ-CE3 3.73Å; F627-W659 HydrophobicContact CZ-CG 4.23Å; F627-W659 HydrophobicContact CZ-CZ3 4.17Å; F627-V760 HydrophobicContact CD1-CG2 4.3Å; F627-V760 HydrophobicContact CD2-CG1 3.76Å; F627-V760 HydrophobicContact CD2-CG2 4.24Å; F627-V760 HydrophobicContact CE1-CG2 4.03Å; F627-V760 HydrophobicContact CE2-CB 4.45Å; F627-V760 HydrophobicContact CE2-CG1 3.56Å; F627-V760 HydrophobicContact CE2-CG2 3.94Å; F627-V760 HydrophobicContact CG-CG2 4.4Å; F627-V760 HydrophobicContact CZ-CG1 4.25Å; F627-V760 HydrophobicContact CZ-CG2 3.83Å
628	I	95.9	Very high	91.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.5	158.9	-57.3	-50.4	0	0	0	108.6	L591 Y593 L597 L615 L641 L647 G648 A650	L591-I628 HydrophobicContact CB-CD1 3.94Å; L591-I628 HydrophobicContact CD1-CD1 4.29Å; L591-I628 CarbonylContact O-C 3.6Å; L591-I628 VanDerWaalsContact O-CA 3.28Å; L591-I628 WeakPolarHBondContact O-CA 3.48Å; Y593-I628 HydrophobicContact CD2-CG2 4.23Å; Y593-I628 HydrophobicContact CG-CG2 4.49Å; L597-I628 HydrophobicContact CD1-CD1 3.68Å; L615-I628 HydrophobicContact CD1-CD1 4.29Å; L615-I628 HydrophobicContact CD2-CD1 4.09Å; I628-L641 HydrophobicContact CB-CD1 4.32Å; I628-L641 HydrophobicContact CG1-CD1 3.78Å; I628-L641 HydrophobicContact CG2-CD1 4.48Å; I628-L647 HydrophobicContact CD1-CD1 4.48Å; I628-L647 HydrophobicContact CG1-CD1 4.18Å; I628-L647 HydrophobicContact CG1-CD2 4.03Å; I628-L647 HydrophobicContact CG1-CG 4.35Å; I628-G648 PolarHBondContact N-O 3.4Å; I628-A650 PolarHBondContact O-N 3.33Å
629	V	94.9	Very high	91.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	81.9	-176.6	-168.6	0	0	0	0	110.2	F590 L591 F627 A650 K753 A756 M786	F590-V629 HydrophobicContact CB-CG2 4.18Å; F590-V629 HydrophobicContact CD1-CG2 3.75Å; F590-V629 HydrophobicContact CG-CG2 4.43Å; L591-V629 PolarHBondContact O-N 2.95Å; F627-V629 HydrophobicContact CB-CG2 4.24Å; V629-A650 HydrophobicContact CB-CB 4.4Å; V629-A650 HydrophobicContact CG1-CB 4.07Å; V629-A650 HydrophobicContact CG2-CB 4.26Å; V629-K753 HydrophobicContact CG1-CB 3.72Å; V629-K753 HydrophobicContact CG1-CG 3.96Å; V629-K753 WeakPolarHBondContact O-CD 3.2Å; V629-K753 VanDerWaalsContact O-CE 3.3Å; V629-K753 WeakPolarHBondContact O-CE 3.39Å; V629-A756 HydrophobicContact CG1-CB 4.1Å; V629-M786 HydrophobicContact CB-SD 4.32Å; V629-M786 HydrophobicContact CG1-SD 4.45Å; V629-M786 HydrophobicContact CG2-SD 4.44Å
630	S	91.5	Very high	90.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.			trans	-116.4	156.5	-167.7	167.5	0	0	0	0	113.3	D592 D594 R632 A650 E652 H653	D592-S630 WeakPolarHBondContact OD1-CA 3.47Å; D594-S630 PolarHBondContact OD2-OG 3.15Å; S630-R632 PolarHBondContact O-N 3.5Å; S630-R632 WeakPolarHBondContact OG-CB 3.47Å; S630-R632 PolarHBondContact OG-N 3.44Å; S630-R632 VanDerWaalsContact OG-N 3.09Å; S630-A650 PolarHBondContact N-O 2.8Å; S630-A650 VanDerWaalsContact N-O 3.08Å; S630-E652 PolarHBondContact O-N 3.32Å; S630-H653 PolarHBondContact O-N 3.17Å
631	G	86.5	Confident	90.9	Very high	13 Å²	13	38.5 Å²	38.5	13%	0.134	21%	0.208	C	C	.	.	S	Bend	trans	-74.2	-3.6	170.4	0	0	0	0	0	115	H653 K699	G631-H653 WeakPolarHBondContact CA-NE2 3.47Å; G631-K699 PolarHBondContact O-NZ 3.48Å
632	R	85.9	Confident	90.7	Very high	70 Å²	70	40.8 Å²	40.8	26%	0.264	23%	0.225	S	C	.	.	S	Bend	trans	-80.6	154	-178.4	-69	-172.4	173.5	-78.2	-24.8	113.9	D594 Q605 S630 L637 E652	D594-R632 IonicContact OD1-CZ 2.85Å; D594-R632 IonicContact OD1-NE 3.34Å; D594-R632 PolarHBondContact OD1-NE 3.16Å; D594-R632 IonicContact OD1-NH2 3.11Å; D594-R632 PolarHBondContact OD1-NH2 3.14Å; D594-R632 IonicContact OD2-NE 2.7Å; D594-R632 PolarHBondContact OD2-NE 3.49Å; Q605-R632 VanDerWaalsContact CD-NH2 3.29Å; Q605-R632 VanDerWaalsContact OE1-CZ 3.25Å; S630-R632 PolarHBondContact O-N 3.5Å; S630-R632 WeakPolarHBondContact OG-CB 3.47Å; S630-R632 PolarHBondContact OG-N 3.44Å; S630-R632 VanDerWaalsContact OG-N 3.09Å; R632-L637 HydrophobicContact CB-CD1 4.04Å; R632-L637 HydrophobicContact CB-CD2 4.26Å; R632-L637 HydrophobicContact CB-CG 4.03Å; R632-E652 PolarHBondContact O-N 2.88Å
633	G	87.1	Confident	90.6	Very high	21 Å²	21	38.1 Å²	38.1	22%	0.216	21%	0.207	C	C	.	.			trans	-65.6	150.3	176.2	0	0	0	0	0	114	E635 L637	G633-E635 PolarHBondContact O-N 2.95Å; G633-L637 PolarHBondContact O-N 2.67Å
634	R	90.1	Very high	90.5	Very high	67 Å²	67	36.3 Å²	36.3	25%	0.253	20%	0.198	S	C	.	.	H	α-helix	trans	-64.8	-31.2	-170.6	57.3	174.3	173.2	165.5	-3.6	115.3	S638 A651 F656 W665 E700	R634-S638 VanDerWaalsContact O-CB 3.25Å; R634-S638 WeakPolarHBondContact O-CB 3.42Å; R634-S638 PolarHBondContact O-N 3.36Å; R634-S638 PolarHBondContact O-OG 3.24Å; R634-A651 HydrophobicContact CB-CB 3.87Å; R634-F656 HydrophobicContact CB-CD2 4.29Å; R634-F656 HydrophobicContact CG-CD2 4.1Å; R634-F656 HydrophobicContact CG-CE2 4.23Å; R634-W665 HydrophobicContact CB-CD2 4.31Å; R634-W665 HydrophobicContact CB-CE3 4.49Å; R634-W665 HydrophobicContact CB-CH2 3.86Å; R634-W665 HydrophobicContact CB-CZ2 3.69Å; R634-W665 HydrophobicContact CB-CZ3 4.28Å; R634-E700 IonicContact CZ-OE1 3.45Å; R634-E700 IonicContact CZ-OE2 3.55Å; R634-E700 IonicContact NE-OE1 2.76Å; R634-E700 PolarHBondContact NE-OE1 2.92Å; R634-E700 IonicContact NE-OE2 2.92Å; R634-E700 IonicContact NH2-OE1 3.37Å; R634-E700 PolarHBondContact NH2-OE1 3.17Å; R634-E700 IonicContact NH2-OE2 2.75Å; R634-E700 PolarHBondContact NH2-OE2 3.39Å
635	E	87.7	Confident	90.2	Very high	145 Å²	145	40.4 Å²	40.4	68%	0.678	22%	0.217	S	C	*	.	H	α-helix	trans	-68.9	-48.6	-179.9	-67.1	-153.2	148	0	0	112.3	G633 L637 S638 N639	G633-E635 PolarHBondContact O-N 2.95Å; E635-L637 PolarHBondContact O-N 3.42Å; E635-S638 WeakPolarHBondContact O-CB 3.33Å; E635-S638 PolarHBondContact O-N 3.47Å; E635-S638 VanDerWaalsContact O-N 3.17Å; E635-N639 PolarHBondContact O-N 2.93Å; E635-N639 PolarHBondContact O-ND2 2.99Å; E635-N639 VanDerWaalsContact O-ND2 3.14Å
636	S	87	Confident	90.1	Very high	51 Å²	51	43 Å²	43	36%	0.357	23%	0.229	S	C	.	.	H	α-helix	trans	-57.2	-50.7	178.6	-54	0	0	0	0	111.1	S638 N639 W640	S636-S638 VanDerWaalsContact C-N 3.34Å; S636-S638 PolarHBondContact O-N 2.92Å; S636-N639 PolarHBondContact O-N 2.91Å; S636-W640 WeakPolarHBondContact O-CB 3.22Å; S636-W640 VanDerWaalsContact O-CD2 3.28Å; S636-W640 PolarHBondContact O-N 3.3Å
637	L	88.9	Confident	90	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-39.5	176.8	-65.7	173	0	0	0	112.1	Y593 R632 G633 E635 W640 L641 I649 A651	Y593-L637 HydrophobicContact CD1-CD2 4.35Å; Y593-L637 HydrophobicContact CD2-CD2 4.21Å; Y593-L637 HydrophobicContact CG-CD2 4.13Å; R632-L637 HydrophobicContact CB-CD1 4.04Å; R632-L637 HydrophobicContact CB-CD2 4.26Å; R632-L637 HydrophobicContact CB-CG 4.03Å; G633-L637 PolarHBondContact O-N 2.67Å; E635-L637 PolarHBondContact O-N 3.42Å; L637-W640 HydrophobicContact CD2-CE3 4.48Å; L637-L641 HydrophobicContact CD2-CD1 4.37Å; L637-L641 VanDerWaalsContact O-CB 3.28Å; L637-L641 WeakPolarHBondContact O-CB 3.31Å; L637-L641 PolarHBondContact O-N 3.45Å; L637-I649 HydrophobicContact CB-CD1 4.35Å; L637-I649 HydrophobicContact CB-CG2 4.08Å; L637-I649 HydrophobicContact CD1-CG2 3.82Å; L637-A651 HydrophobicContact CD1-CB 3.97Å
638	S	90	Very high	89.9	Confident	22 Å²	22	42.9 Å²	42.9	15%	0.154	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-45.8	176.2	-65	0	0	0	0	112.5	R634 E635 S636 S642 W665	R634-S638 VanDerWaalsContact O-CB 3.25Å; R634-S638 WeakPolarHBondContact O-CB 3.42Å; R634-S638 PolarHBondContact O-N 3.36Å; R634-S638 PolarHBondContact O-OG 3.24Å; E635-S638 WeakPolarHBondContact O-CB 3.33Å; E635-S638 PolarHBondContact O-N 3.47Å; E635-S638 VanDerWaalsContact O-N 3.17Å; S636-S638 VanDerWaalsContact C-N 3.34Å; S636-S638 PolarHBondContact O-N 2.92Å; S638-S642 WeakPolarHBondContact O-CB 3.05Å; S638-S642 PolarHBondContact O-N 2.63Å; S638-S642 VanDerWaalsContact O-N 3.14Å; S638-W665 WeakPolarHBondContact OG-CZ2 3.27Å
639	N	88.6	Confident	89.9	Confident	113 Å²	113	43 Å²	43	60%	0.604	23%	0.229	S	C	*	.	H	α-helix	trans	-67.5	-49.5	-178	-70.6	-36.2	0	0	0	110.8	E635 S636 S642	E635-N639 PolarHBondContact O-N 2.93Å; E635-N639 PolarHBondContact O-ND2 2.99Å; E635-N639 VanDerWaalsContact O-ND2 3.14Å; S636-N639 PolarHBondContact O-N 2.91Å; N639-S642 WeakPolarHBondContact O-CB 3.42Å; N639-S642 PolarHBondContact O-OG 2.78Å
640	W	88.8	Confident	89.9	Confident	67 Å²	67	43 Å²	43	25%	0.254	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-39.1	-177.7	-66.5	-17	0	0	0	114.1	Y593 Q605 P607 S636 L637	Y593-W640 AromaticContact CE1-CE3 3.84Å; Y593-W640 HydrophobicContact CE1-CE3 3.84Å; Y593-W640 AromaticContact CE1-CZ3 3.72Å; Y593-W640 HydrophobicContact CE1-CZ3 3.72Å; Y593-W640 AromaticContact CZ-CE3 3.75Å; Q605-W640 HydrophobicContact CB-CH2 4.17Å; Q605-W640 HydrophobicContact CB-CZ3 4.46Å; Q605-W640 WeakPolarHBondContact O-CZ3 3.36Å; P607-W640 HydrophobicContact CG-CB 4.03Å; S636-W640 WeakPolarHBondContact O-CB 3.22Å; S636-W640 VanDerWaalsContact O-CD2 3.28Å; S636-W640 PolarHBondContact O-N 3.3Å; L637-W640 HydrophobicContact CD2-CE3 4.48Å
641	L	90.4	Very high	89.9	Confident	3 Å²	3	43 Å²	43	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-99.7	6.1	-175.6	-60.9	169.4	0	0	0	113.4	Y593 P607 L615 I628 L637 P643 C644 L647 I649	Y593-L641 HydrophobicContact CE2-CD2 4.32Å; P607-L641 HydrophobicContact CG-CD2 4.3Å; L615-L641 HydrophobicContact CD1-CD2 3.79Å; I628-L641 HydrophobicContact CB-CD1 4.32Å; I628-L641 HydrophobicContact CG1-CD1 3.78Å; I628-L641 HydrophobicContact CG2-CD1 4.48Å; L637-L641 HydrophobicContact CD2-CD1 4.37Å; L637-L641 VanDerWaalsContact O-CB 3.28Å; L637-L641 WeakPolarHBondContact O-CB 3.31Å; L637-L641 PolarHBondContact O-N 3.45Å; L641-P643 VanDerWaalsContact C-N 3.27Å; L641-P643 WeakPolarHBondContact O-CD 3.49Å; L641-P643 VanDerWaalsContact O-N 3.09Å; L641-C644 PolarHBondContact O-N 3Å; L641-L647 HydrophobicContact CB-CD2 4.15Å; L641-L647 HydrophobicContact CD1-CD2 4.17Å; L641-L647 HydrophobicContact CD2-CD2 4.16Å; L641-L647 HydrophobicContact CG-CD2 4.39Å; L641-I649 HydrophobicContact CB-CD1 4.21Å; L641-I649 HydrophobicContact CD1-CD1 3.99Å; L641-I649 HydrophobicContact CD1-CG1 4.45Å
642	S	87.7	Confident	90.1	Very high	63 Å²	63	42.6 Å²	42.6	44%	0.441	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-29.8	177.7	58.1	0	0	0	0	116.5	S638 N639 C644	S638-S642 WeakPolarHBondContact O-CB 3.05Å; S638-S642 PolarHBondContact O-N 2.63Å; S638-S642 VanDerWaalsContact O-N 3.14Å; N639-S642 WeakPolarHBondContact O-CB 3.42Å; N639-S642 PolarHBondContact O-OG 2.78Å; S642-C644 PolarHBondContact O-N 2.92Å
643	P	88.4	Confident	90.2	Very high	64 Å²	64	39.9 Å²	39.9	42%	0.416	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.6	177.4	-20.9	36	0	0	0	115.3	V612 L641	V612-P643 HydrophobicContact CG1-CB 3.78Å; V612-P643 HydrophobicContact CG1-CG 3.91Å; L641-P643 VanDerWaalsContact C-N 3.27Å; L641-P643 WeakPolarHBondContact O-CD 3.49Å; L641-P643 VanDerWaalsContact O-N 3.09Å
644	C	90.1	Very high	90.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	20%	0.204	C	C	.	.			trans	-103.9	79.5	-175.9	-61.5	0	0	0	0	110.7	L641 S642 N646 L647	L641-C644 PolarHBondContact O-N 3Å; S642-C644 PolarHBondContact O-N 2.92Å; C644-N646 VanDerWaalsContact C-N 3.31Å; C644-N646 PolarHBondContact O-N 2.75Å; C644-N646 VanDerWaalsContact O-N 3.16Å; C644-L647 HydrophobicContact CB-CB 3.67Å; C644-L647 HydrophobicContact CB-CD2 3.83Å; C644-L647 HydrophobicContact CB-CG 4.44Å; C644-L647 WeakPolarHBondContact O-CB 3.42Å; C644-L647 PolarHBondContact O-N 3.32Å
645	E	88.2	Confident	90.2	Very high	105 Å²	105	36.8 Å²	36.8	49%	0.491	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.6	-168.8	-66.1	-156.9	166.5	0	0	115.3	K660 S661 K662	E645-K660 WeakPolarHBondContact O-CB 3.49Å; E645-S661 WeakPolarHBondContact O-CB 3.38Å; E645-S661 PolarHBondContact O-N 2.92Å; E645-K662 WeakPolarHBondContact OE1-CE 3.45Å; E645-K662 IonicContact OE1-NZ 2.84Å; E645-K662 PolarHBondContact OE1-NZ 2.95Å; E645-K662 IonicContact OE2-NZ 2.79Å; E645-K662 PolarHBondContact OE2-NZ 2.83Å
646	N	91.3	Very high	90.4	Very high	90 Å²	90	30.2 Å²	30.2	48%	0.481	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	8.6	-178.6	-65.6	-29.4	0	0	0	114	C619 C644	C619-N646 HydrophobicContact CB-CB 4.13Å; C619-N646 WeakPolarHBondContact O-CB 3.32Å; C619-N646 PolarHBondContact O-ND2 3.44Å; C644-N646 VanDerWaalsContact C-N 3.31Å; C644-N646 PolarHBondContact O-N 2.75Å; C644-N646 VanDerWaalsContact O-N 3.16Å
647	L	94	Very high	90.7	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.148	C	C	.	.			trans	-81	122.8	-177.5	-178.5	57.4	0	0	0	110.9	L615 V626 I628 L641 C644	L615-L647 HydrophobicContact CD1-CD2 4.15Å; V626-L647 HydrophobicContact CB-CD1 3.95Å; V626-L647 HydrophobicContact CG1-CD1 3.67Å; I628-L647 HydrophobicContact CD1-CD1 4.48Å; I628-L647 HydrophobicContact CG1-CD1 4.18Å; I628-L647 HydrophobicContact CG1-CD2 4.03Å; I628-L647 HydrophobicContact CG1-CG 4.35Å; L641-L647 HydrophobicContact CB-CD2 4.15Å; L641-L647 HydrophobicContact CD1-CD2 4.17Å; L641-L647 HydrophobicContact CD2-CD2 4.16Å; L641-L647 HydrophobicContact CG-CD2 4.39Å; C644-L647 HydrophobicContact CB-CB 3.67Å; C644-L647 HydrophobicContact CB-CD2 3.83Å; C644-L647 HydrophobicContact CB-CG 4.44Å; C644-L647 WeakPolarHBondContact O-CB 3.42Å; C644-L647 PolarHBondContact O-N 3.32Å
648	G	95.3	Very high	91	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	147.5	168.9	0	0	0	0	0	111.5	V626 F627 I628 R658 W659	V626-G648 WeakPolarHBondContact O-CA 3.33Å; V626-G648 PolarHBondContact O-N 2.76Å; F627-G648 WeakPolarHBondContact CA-O 3.41Å; I628-G648 PolarHBondContact N-O 3.4Å; G648-R658 CarbonylContact C-O 3.23Å; G648-R658 VanDerWaalsContact CA-O 3.26Å; G648-R658 WeakPolarHBondContact CA-O 3.01Å; G648-W659 WeakPolarHBondContact CA-O 3.31Å; G648-W659 PolarHBondContact N-O 2.77Å
649	I	95.8	Very high	91	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125	175.8	-50.2	-180	0	0	0	109.1	L637 L641 A651 I657 R658 W665	L637-I649 HydrophobicContact CB-CD1 4.35Å; L637-I649 HydrophobicContact CB-CG2 4.08Å; L637-I649 HydrophobicContact CD1-CG2 3.82Å; L641-I649 HydrophobicContact CB-CD1 4.21Å; L641-I649 HydrophobicContact CD1-CD1 3.99Å; L641-I649 HydrophobicContact CD1-CG1 4.45Å; I649-A651 HydrophobicContact CG2-CB 4.46Å; I649-I657 CarbonylContact O-C 3.55Å; I649-I657 WeakPolarHBondContact O-CA 3.4Å; I649-R658 PolarHBondContact N-O 3.43Å; I649-R658 PolarHBondContact O-N 3.47Å; I649-W665 HydrophobicContact CB-CH2 3.77Å; I649-W665 HydrophobicContact CB-CZ3 4.36Å; I649-W665 HydrophobicContact CG2-CH2 3.76Å; I649-W665 HydrophobicContact CG2-CZ3 4.46Å; I649-W665 WeakPolarHBondContact O-CZ3 3.33Å
650	A	94.8	Very high	91.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	104	164.4	0	0	0	0	0	107.8	I628 V629 S630 F656 I657 A756	I628-A650 PolarHBondContact O-N 3.33Å; V629-A650 HydrophobicContact CB-CB 4.4Å; V629-A650 HydrophobicContact CG1-CB 4.07Å; V629-A650 HydrophobicContact CG2-CB 4.26Å; S630-A650 PolarHBondContact N-O 2.8Å; S630-A650 VanDerWaalsContact N-O 3.08Å; A650-F656 CarbonylContact C-O 3.57Å; A650-F656 WeakPolarHBondContact CA-O 3.35Å; A650-I657 HydrophobicContact CB-CD1 4.36Å; A650-I657 HydrophobicContact CB-CG1 3.93Å; A650-A756 HydrophobicContact CB-CB 4.07Å
651	A	92.3	Very high	91	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	155.3	-177.3	0	0	0	0	0	111	R634 L637 I649 H653 G654 Y655 F656 W665	R634-A651 HydrophobicContact CB-CB 3.87Å; L637-A651 HydrophobicContact CD1-CB 3.97Å; I649-A651 HydrophobicContact CG2-CB 4.46Å; A651-H653 VanDerWaalsContact C-N 3.35Å; A651-H653 PolarHBondContact O-N 3.44Å; A651-G654 WeakPolarHBondContact O-CA 3.5Å; A651-G654 PolarHBondContact O-N 3.17Å; A651-Y655 PolarHBondContact O-N 2.94Å; A651-F656 HydrophobicContact CB-CB 4.49Å; A651-F656 PolarHBondContact N-O 2.53Å; A651-F656 PolarHBondContact O-N 3.49Å; A651-W665 HydrophobicContact CB-CH2 3.95Å; A651-W665 HydrophobicContact CB-CZ3 3.99Å
652	E	89.5	Confident	90.7	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.023	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	47.1	54.2	-175	-56.7	-168.3	-163	0	0	112.7	S630 R632 G654 Y655 K699 E700 S701 V751	S630-E652 PolarHBondContact O-N 3.32Å; R632-E652 PolarHBondContact O-N 2.88Å; E652-G654 PolarHBondContact O-N 2.75Å; E652-G654 VanDerWaalsContact O-N 3.17Å; E652-Y655 PolarHBondContact O-N 2.73Å; E652-K699 WeakPolarHBondContact OE2-CB 3.34Å; E652-E700 PolarHBondContact OE1-N 3.06Å; E652-E700 VanDerWaalsContact OE1-N 3.11Å; E652-E700 PolarHBondContact OE2-N 2.97Å; E652-S701 WeakPolarHBondContact CB-OG 3.42Å; E652-S701 WeakPolarHBondContact OE2-CA 3.48Å; E652-S701 VanDerWaalsContact OE2-CB 3.24Å; E652-S701 WeakPolarHBondContact OE2-CB 3.23Å; E652-S701 PolarHBondContact OE2-N 3.01Å; E652-S701 PolarHBondContact OE2-OG 2.98Å; E652-V751 WeakPolarHBondContact O-CG1 3.38Å
653	H	87.6	Confident	90.7	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.065	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	55.4	28.5	-175.4	-51.5	-87.8	0	0	0	114.2	S630 G631 A651 E745 K747 V751 S752 K753 S782	S630-H653 PolarHBondContact O-N 3.17Å; G631-H653 WeakPolarHBondContact CA-NE2 3.47Å; A651-H653 VanDerWaalsContact C-N 3.35Å; A651-H653 PolarHBondContact O-N 3.44Å; H653-E745 IonicContact CD2-OE2 2.72Å; H653-E745 IonicContact NE2-OE1 3.16Å; H653-E745 IonicContact NE2-OE2 2.68Å; H653-K747 PolarHBondContact CD2-NZ 3Å; H653-K747 PolarHBondContact NE2-NZ 3.44Å; H653-V751 HydrophobicContact CB-CG1 4.22Å; H653-S752 CarbonylContact O-C 3.59Å; H653-S752 PolarHBondContact O-N 2.94Å; H653-S752 VanDerWaalsContact O-O 3.05Å; H653-K753 HydrophobicContact CB-CG 4.44Å; H653-K753 PolarHBondContact O-N 2.94Å; H653-S782 PolarHBondContact CE1-OG 3.41Å
654	G	89	Confident	90.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	92.3	10.7	175.9	0	0	0	0	0	116	A651 E652 F656	A651-G654 WeakPolarHBondContact O-CA 3.5Å; A651-G654 PolarHBondContact O-N 3.17Å; E652-G654 PolarHBondContact O-N 2.75Å; E652-G654 VanDerWaalsContact O-N 3.17Å; G654-F656 PolarHBondContact O-N 2.76Å
655	Y	88.6	Confident	90.8	Very high	23 Å²	23	42 Å²	42	9%	0.09	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-40.5	169.2	-173.3	-99.7	0	0	0	111.4	A651 E652 T667 C668 Y669 V751	A651-Y655 PolarHBondContact O-N 2.94Å; E652-Y655 PolarHBondContact O-N 2.73Å; Y655-T667 HydrophobicContact CD1-CG2 4.13Å; Y655-T667 HydrophobicContact CE1-CG2 3.55Å; Y655-C668 PolarHBondContact O-N 2.7Å; Y655-Y669 HydrophobicContact CD2-CD2 4.03Å; Y655-V751 HydrophobicContact CD2-CG2 3.93Å
656	F	92.5	Very high	90.9	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.5	167.7	-51.4	-71.1	0	0	0	110.7	R634 A650 A651 G654 W665 E666 T667 E700	R634-F656 HydrophobicContact CB-CD2 4.29Å; R634-F656 HydrophobicContact CG-CD2 4.1Å; R634-F656 HydrophobicContact CG-CE2 4.23Å; A650-F656 CarbonylContact C-O 3.57Å; A650-F656 WeakPolarHBondContact CA-O 3.35Å; A651-F656 HydrophobicContact CB-CB 4.49Å; A651-F656 PolarHBondContact N-O 2.53Å; A651-F656 PolarHBondContact O-N 3.49Å; G654-F656 PolarHBondContact O-N 2.76Å; F656-W665 HydrophobicContact CB-CD2 4.4Å; F656-W665 HydrophobicContact CB-CE3 3.54Å; F656-W665 HydrophobicContact CB-CZ3 3.89Å; F656-E666 CarbonylContact C-O 3.58Å; F656-E666 WeakPolarHBondContact CA-O 3.3Å; F656-T667 HydrophobicContact CD1-CG2 4.17Å; F656-T667 HydrophobicContact CE1-CG2 4.09Å; F656-E700 HydrophobicContact CE2-CB 3.76Å; F656-E700 HydrophobicContact CE2-CG 4.37Å; F656-E700 HydrophobicContact CZ-CB 3.76Å; F656-E700 HydrophobicContact CZ-CG 4.39Å
657	I	93.4	Very high	90.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.2	171.8	-65.5	-175.4	0	0	0	109.2	F627 I649 A650 E666 C668 A756 K759 V760	F627-I657 HydrophobicContact CE1-CG2 3.81Å; F627-I657 HydrophobicContact CZ-CG2 4.36Å; I649-I657 CarbonylContact O-C 3.55Å; I649-I657 WeakPolarHBondContact O-CA 3.4Å; A650-I657 HydrophobicContact CB-CD1 4.36Å; A650-I657 HydrophobicContact CB-CG1 3.93Å; I657-E666 PolarHBondContact N-O 3.09Å; I657-E666 WeakPolarHBondContact O-CA 3.28Å; I657-E666 WeakPolarHBondContact O-CB 3.35Å; I657-E666 PolarHBondContact O-N 3.48Å; I657-C668 VanDerWaalsContact CD1-SG 3.54Å; I657-C668 WeakPolarHBondContact CG1-SG 3.42Å; I657-A756 HydrophobicContact CD1-CB 4.21Å; I657-K759 HydrophobicContact CD1-CD 4.27Å; I657-V760 HydrophobicContact CD1-CG2 4.48Å
658	R	93.8	Very high	89.8	Confident	19 Å²	19	40.5 Å²	40.5	7%	0.072	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.9	172.7	178	-180	66.4	154.6	4.1	108.8	G648 I649 K660 S661 D663 W665	G648-R658 CarbonylContact C-O 3.23Å; G648-R658 VanDerWaalsContact CA-O 3.26Å; G648-R658 WeakPolarHBondContact CA-O 3.01Å; I649-R658 PolarHBondContact N-O 3.43Å; I649-R658 PolarHBondContact O-N 3.47Å; R658-K660 VanDerWaalsContact CD-O 3.24Å; R658-K660 WeakPolarHBondContact CD-O 3.18Å; R658-K660 WeakPolarHBondContact CG-O 3.06Å; R658-S661 PolarHBondContact NH1-O 3.43Å; R658-D663 WeakPolarHBondContact CD-O 3.47Å; R658-D663 HydrophobicContact CG-CB 4.22Å; R658-W665 HydrophobicContact CB-CD2 3.69Å; R658-W665 HydrophobicContact CB-CE3 3.49Å; R658-W665 VanDerWaalsContact CB-CE3 3.49Å; R658-W665 HydrophobicContact CB-CG 4.34Å; R658-W665 HydrophobicContact CB-CH2 4.16Å; R658-W665 HydrophobicContact CB-CZ2 4.28Å; R658-W665 HydrophobicContact CB-CZ3 3.76Å; R658-W665 HydrophobicContact CG-CD2 4.48Å
659	W	91.9	Very high	88.6	Confident	27 Å²	27	43.6 Å²	43.6	10%	0.102	21%	0.206	C	C	.	.	S	Bend	trans	-79.4	-34.1	-174.7	-72.1	84.7	0	0	0	113.8	T625 F627 G648 D663 E666 V760 E763 M764	T625-W659 HydrophobicContact CG2-CZ3 4.07Å; F627-W659 HydrophobicContact CE2-CD2 4.35Å; F627-W659 AromaticContact CE2-CE3 3.79Å; F627-W659 HydrophobicContact CE2-CE3 3.79Å; F627-W659 AromaticContact CE2-CZ3 3.91Å; F627-W659 HydrophobicContact CE2-CZ3 3.91Å; F627-W659 AromaticContact CZ-CD2 3.81Å; F627-W659 HydrophobicContact CZ-CD2 3.81Å; F627-W659 AromaticContact CZ-CE3 3.73Å; F627-W659 HydrophobicContact CZ-CE3 3.73Å; F627-W659 HydrophobicContact CZ-CG 4.23Å; F627-W659 HydrophobicContact CZ-CZ3 4.17Å; G648-W659 WeakPolarHBondContact CA-O 3.31Å; G648-W659 PolarHBondContact N-O 2.77Å; W659-D663 WeakPolarHBondContact CB-OD2 3.25Å; W659-E666 PolarHBondContact NE1-OE1 3.26Å; W659-V760 HydrophobicContact CH2-CB 4.48Å; W659-V760 HydrophobicContact CH2-CG1 3.94Å; W659-V760 HydrophobicContact CZ3-CG1 4.21Å; W659-E763 HydrophobicContact CH2-CB 3.93Å; W659-E763 HydrophobicContact CZ2-CB 3.72Å; W659-E763 HydrophobicContact CZ2-CG 4.31Å; W659-E763 WeakPolarHBondContact CZ2-OE2 2.81Å; W659-M764 HydrophobicContact CH2-CG 4.4Å; W659-M764 HydrophobicContact CZ3-CG 4.5Å
660	K	90.3	Very high	87	Confident	102 Å²	102	47.9 Å²	47.9	44%	0.443	24%	0.237	S	C	.	.	S	Bend	trans	-145	161	178.7	-56.3	176.3	-174.3	171.9	0	111.2	E645 R658 K662 D663	E645-K660 WeakPolarHBondContact O-CB 3.49Å; R658-K660 VanDerWaalsContact CD-O 3.24Å; R658-K660 WeakPolarHBondContact CD-O 3.18Å; R658-K660 WeakPolarHBondContact CG-O 3.06Å; K660-K662 PolarHBondContact O-N 3.03Å; K660-D663 VanDerWaalsContact CB-OD2 3.26Å; K660-D663 WeakPolarHBondContact CB-OD2 3.37Å; K660-D663 WeakPolarHBondContact CG-OD2 3.48Å; K660-D663 PolarHBondContact N-OD2 3.21Å; K660-D663 VanDerWaalsContact N-OD2 3.08Å; K660-D663 PolarHBondContact O-N 3.32Å
661	S	85.4	Confident	85.2	Confident	32 Å²	32	52.8 Å²	52.8	22%	0.224	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.2	-177.1	-168.1	0	0	0	0	114.7	E645 R658	E645-S661 WeakPolarHBondContact O-CB 3.38Å; E645-S661 PolarHBondContact O-N 2.92Å; R658-S661 PolarHBondContact NH1-O 3.43Å
662	K	83.9	Confident	83.4	Confident	152 Å²	152	55.1 Å²	55.1	66%	0.661	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.7	180	-67.6	168.1	-176.9	162.4	0	114.2	E645 K660	E645-K662 WeakPolarHBondContact OE1-CE 3.45Å; E645-K662 IonicContact OE1-NZ 2.84Å; E645-K662 PolarHBondContact OE1-NZ 2.95Å; E645-K662 IonicContact OE2-NZ 2.79Å; E645-K662 PolarHBondContact OE2-NZ 2.83Å; K660-K662 PolarHBondContact O-N 3.03Å
663	D	87.8	Confident	82	Confident	67 Å²	67	61 Å²	61	36%	0.358	31%	0.314	S	S	.	.	S	Bend	trans	-83.5	157.4	178.2	-58.1	-17.3	0	0	0	109.9	R658 W659 K660	R658-D663 WeakPolarHBondContact CD-O 3.47Å; R658-D663 HydrophobicContact CG-CB 4.22Å; W659-D663 WeakPolarHBondContact CB-OD2 3.25Å; K660-D663 VanDerWaalsContact CB-OD2 3.26Å; K660-D663 WeakPolarHBondContact CB-OD2 3.37Å; K660-D663 WeakPolarHBondContact CG-OD2 3.48Å; K660-D663 PolarHBondContact N-OD2 3.21Å; K660-D663 VanDerWaalsContact N-OD2 3.08Å; K660-D663 PolarHBondContact O-N 3.32Å
664	E	90.1	Very high	81.3	Confident	181 Å²	181	64.8 Å²	64.8	85%	0.846	34%	0.338	S	S	*	.			trans	-72.5	159.1	173.6	-65.6	-169.1	160	0	0	111.7	E666	E664-E666 PolarHBondContact O-N 3.34Å
665	W	90.4	Very high	80.8	Confident	52 Å²	52	71.4 Å²	71.4	20%	0.197	37%	0.369	C	S	.	.			trans	-81.5	110.5	176.6	-78.6	100.4	0	0	0	110.8	R634 S638 I649 A651 F656 R658 T667	R634-W665 HydrophobicContact CB-CD2 4.31Å; R634-W665 HydrophobicContact CB-CE3 4.49Å; R634-W665 HydrophobicContact CB-CH2 3.86Å; R634-W665 HydrophobicContact CB-CZ2 3.69Å; R634-W665 HydrophobicContact CB-CZ3 4.28Å; S638-W665 WeakPolarHBondContact OG-CZ2 3.27Å; I649-W665 HydrophobicContact CB-CH2 3.77Å; I649-W665 HydrophobicContact CB-CZ3 4.36Å; I649-W665 HydrophobicContact CG2-CH2 3.76Å; I649-W665 HydrophobicContact CG2-CZ3 4.46Å; I649-W665 WeakPolarHBondContact O-CZ3 3.33Å; A651-W665 HydrophobicContact CB-CH2 3.95Å; A651-W665 HydrophobicContact CB-CZ3 3.99Å; F656-W665 HydrophobicContact CB-CD2 4.4Å; F656-W665 HydrophobicContact CB-CE3 3.54Å; F656-W665 HydrophobicContact CB-CZ3 3.89Å; R658-W665 HydrophobicContact CB-CD2 3.69Å; R658-W665 HydrophobicContact CB-CE3 3.49Å; R658-W665 VanDerWaalsContact CB-CE3 3.49Å; R658-W665 HydrophobicContact CB-CG 4.34Å; R658-W665 HydrophobicContact CB-CH2 4.16Å; R658-W665 HydrophobicContact CB-CZ2 4.28Å; R658-W665 HydrophobicContact CB-CZ3 3.76Å; R658-W665 HydrophobicContact CG-CD2 4.48Å; W665-T667 PolarHBondContact O-N 3.22Å
666	E	90.3	Very high	80.8	Confident	64 Å²	64	70.5 Å²	70.5	30%	0.299	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	123.5	167.5	-60.8	175.8	-143.9	0	0	109.4	F656 I657 W659 E664 K759	F656-E666 CarbonylContact C-O 3.58Å; F656-E666 WeakPolarHBondContact CA-O 3.3Å; I657-E666 PolarHBondContact N-O 3.09Å; I657-E666 WeakPolarHBondContact O-CA 3.28Å; I657-E666 WeakPolarHBondContact O-CB 3.35Å; I657-E666 PolarHBondContact O-N 3.48Å; W659-E666 PolarHBondContact NE1-OE1 3.26Å; E664-E666 PolarHBondContact O-N 3.34Å; E666-K759 IonicContact OE2-NZ 2.93Å; E666-K759 PolarHBondContact OE2-NZ 3.44Å
667	T	86.5	Confident	80.7	Confident	68 Å²	68	72.4 Å²	72.4	42%	0.417	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.7	165.3	-48.5	0	0	0	0	106.8	Y655 F656 W665 Y669	Y655-T667 HydrophobicContact CD1-CG2 4.13Å; Y655-T667 HydrophobicContact CE1-CG2 3.55Å; F656-T667 HydrophobicContact CD1-CG2 4.17Å; F656-T667 HydrophobicContact CE1-CG2 4.09Å; W665-T667 PolarHBondContact O-N 3.22Å; T667-Y669 PolarHBondContact O-N 3.36Å
668	C	75.8	Confident	80.4	Confident	33 Å²	33	76.4 Å²	76.4	22%	0.223	40%	0.4	C	S	.	.			trans	-75.2	-12.9	-166.4	-68.6	0	0	0	0	114.2	Y655 I657 K759	Y655-C668 PolarHBondContact O-N 2.7Å; I657-C668 VanDerWaalsContact CD1-SG 3.54Å; I657-C668 WeakPolarHBondContact CG1-SG 3.42Å; C668-K759 HydrophobicContact CB-CD 4.4Å; C668-K759 PolarHBondContact SG-NZ 2.82Å
669	Y	71.5	Confident	80.3	Confident	66 Å²	66	78.8 Å²	78.8	26%	0.259	41%	0.413	S	S	.	.	S	Bend	trans	-127.2	149.5	-177.5	-56.7	-91.8	0	0	0	107.7	Y655 T667 G750 V751	Y655-Y669 HydrophobicContact CD2-CD2 4.03Å; T667-Y669 PolarHBondContact O-N 3.36Å; Y669-G750 WeakPolarHBondContact CE1-O 3.4Å; Y669-G750 PolarHBondContact OH-O 3.08Å; Y669-V751 HydrophobicContact CD2-CG2 4.04Å; Y669-V751 HydrophobicContact CE2-CG2 4.11Å; Y669-V751 HydrophobicContact CG-CG2 4.32Å
670	S	61	Low	80.4	Confident	92 Å²	92	77.5 Å²	77.5	64%	0.643	41%	0.408	S	S	*	.			trans	-55.4	144.5	167.9	-170.3	0	0	0	0	109	T672	S670-T672 VanDerWaalsContact C-N 3.25Å; S670-T672 PolarHBondContact O-N 3.29Å
671	P	56.7	Low	80.6	Confident	103 Å²	103	75.4 Å²	75.4	67%	0.669	40%	0.4	S	S	*	.			trans	-59	96.7	162.4	26.4	-33.5	0	0	0	108
672	T	56	Low	81	Confident	50 Å²	50	77.6 Å²	77.6	31%	0.307	41%	0.414	S	S	.	.			trans	-66.7	144.8	169.4	30.3	0	0	0	0	108.7	S670 T674	S670-T672 VanDerWaalsContact C-N 3.25Å; S670-T672 PolarHBondContact O-N 3.29Å; T672-T674 PolarHBondContact O-N 2.82Å
673	D	60.6	Low	81.6	Confident	128 Å²	128	71.3 Å²	71.3	68%	0.684	39%	0.388	S	S	*	.			trans	-50.8	114.3	-174.9	-80.5	-60.9	0	0	0	111.1	E675	D673-E675 HydrophobicContact CB-CG 4.28Å; D673-E675 PolarHBondContact O-N 2.8Å
674	T	71.5	Confident	82	Confident	93 Å²	93	68.1 Å²	68.1	57%	0.571	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	5.8	-179	47.8	0	0	0	0	112.4	T672 W676 R677	T672-T674 PolarHBondContact O-N 2.82Å; T674-W676 PolarHBondContact O-N 1.94Å; T674-R677 WeakPolarHBondContact O-CB 3.13Å; T674-R677 WeakPolarHBondContact O-CG 3.48Å; T674-R677 PolarHBondContact O-N 2.8Å
675	E	80	Confident	82.3	Confident	139 Å²	139	64.1 Å²	64.1	65%	0.65	35%	0.348	S	S	*	.	H	α-helix	trans	-52.1	-34.2	169.4	-62	-162.6	149.9	0	0	112.2	D673 R677 S678	D673-E675 HydrophobicContact CB-CG 4.28Å; D673-E675 PolarHBondContact O-N 2.8Å; E675-R677 PolarHBondContact O-N 2.76Å; E675-R677 VanDerWaalsContact O-N 3.15Å; E675-S678 WeakPolarHBondContact O-CB 3.26Å; E675-S678 PolarHBondContact O-N 3.13Å; E675-S678 PolarHBondContact O-OG 3.32Å
676	W	87.7	Confident	82.5	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.015	36%	0.364	C	S	.	.	H	α-helix	trans	-57.4	-31	174.2	70.7	-103	0	0	0	112.9	T674 S678 M679 V680 S701 L703 V735 V746 P748	T674-W676 PolarHBondContact O-N 1.94Å; W676-S678 VanDerWaalsContact C-N 3.26Å; W676-S678 PolarHBondContact O-N 3.19Å; W676-M679 HydrophobicContact CB-CE 4.49Å; W676-M679 PolarHBondContact O-N 3.08Å; W676-V680 HydrophobicContact CE3-CB 4.27Å; W676-V680 HydrophobicContact CE3-CG2 3.7Å; W676-V680 HydrophobicContact CZ3-CB 4.36Å; W676-V680 HydrophobicContact CZ3-CG2 4.06Å; W676-V680 WeakPolarHBondContact O-CG2 3.07Å; W676-V680 PolarHBondContact O-N 2.86Å; W676-S701 VanDerWaalsContact CZ2-O 3.3Å; W676-S701 WeakPolarHBondContact CZ2-O 3.4Å; W676-L703 HydrophobicContact CH2-CD1 4.25Å; W676-L703 HydrophobicContact CZ3-CD1 3.81Å; W676-V735 HydrophobicContact CB-CG1 4.24Å; W676-V735 HydrophobicContact CD2-CG1 3.64Å; W676-V735 HydrophobicContact CE3-CG1 4.18Å; W676-V735 HydrophobicContact CG-CG1 3.66Å; W676-V735 HydrophobicContact CZ2-CG1 4.44Å; W676-V746 HydrophobicContact CE3-CG1 4Å; W676-V746 HydrophobicContact CH2-CG1 4.23Å; W676-V746 HydrophobicContact CZ3-CB 3.99Å; W676-V746 HydrophobicContact CZ3-CG1 3.58Å; W676-P748 HydrophobicContact CZ2-CG 4.44Å
677	R	89.2	Confident	82.8	Confident	48 Å²	48	63.8 Å²	63.8	18%	0.181	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-34.2	175.9	-60.3	-173.5	162.1	-139.7	-17.2	111.7	T674 E675 M679 V680 E681 K699 E700 S701 A702 L703	T674-R677 WeakPolarHBondContact O-CB 3.13Å; T674-R677 WeakPolarHBondContact O-CG 3.48Å; T674-R677 PolarHBondContact O-N 2.8Å; E675-R677 PolarHBondContact O-N 2.76Å; E675-R677 VanDerWaalsContact O-N 3.15Å; R677-M679 PolarHBondContact O-N 3.42Å; R677-V680 PolarHBondContact O-N 3.42Å; R677-E681 VanDerWaalsContact O-CB 3.3Å; R677-E681 WeakPolarHBondContact O-CB 3.28Å; R677-E681 PolarHBondContact O-N 3.23Å; R677-K699 PolarHBondContact NH1-O 2.68Å; R677-K699 PolarHBondContact NH2-O 2.87Å; R677-E700 PolarHBondContact NH2-O 2.97Å; R677-E700 VanDerWaalsContact NH2-O 3.07Å; R677-S701 PolarHBondContact NH2-O 3.47Å; R677-A702 VanDerWaalsContact NH2-N 3.16Å; R677-A702 PolarHBondContact NH2-O 3.42Å; R677-A702 VanDerWaalsContact NH2-O 3.12Å; R677-L703 HydrophobicContact CB-CD1 4Å; R677-L703 HydrophobicContact CG-CD1 3.92Å
678	S	88.8	Confident	83.2	Confident	84 Å²	84	62.9 Å²	62.9	59%	0.587	35%	0.348	S	S	*	.	H	α-helix	trans	-68.3	-19.5	175.9	78.7	0	0	0	0	113.3	E675 W676 P682	E675-S678 WeakPolarHBondContact O-CB 3.26Å; E675-S678 PolarHBondContact O-N 3.13Å; E675-S678 PolarHBondContact O-OG 3.32Å; W676-S678 VanDerWaalsContact C-N 3.26Å; W676-S678 PolarHBondContact O-N 3.19Å; S678-P682 WeakPolarHBondContact O-CD 3.5Å; S678-P682 VanDerWaalsContact O-CG 3.26Å; S678-P682 WeakPolarHBondContact O-CG 3.18Å
679	M	90.2	Very high	84.2	Confident	69 Å²	69	68.8 Å²	68.8	34%	0.34	37%	0.372	S	S	.	.	H	α-helix	trans	-89.6	-36.2	172.2	-62.4	-171.3	-82.1	0	0	112.2	W676 R677 V729 E733	W676-M679 HydrophobicContact CB-CE 4.49Å; W676-M679 PolarHBondContact O-N 3.08Å; R677-M679 PolarHBondContact O-N 3.42Å; M679-V729 HydrophobicContact CB-CG1 4.46Å; M679-E733 HydrophobicContact CE-CG 3.8Å
680	V	94	Very high	85.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-77.4	-45.2	-179.2	174.8	0	0	0	0	113.3	W676 R677 V683 M684 L703 L726 L730 V746	W676-V680 HydrophobicContact CE3-CB 4.27Å; W676-V680 HydrophobicContact CE3-CG2 3.7Å; W676-V680 HydrophobicContact CZ3-CB 4.36Å; W676-V680 HydrophobicContact CZ3-CG2 4.06Å; W676-V680 WeakPolarHBondContact O-CG2 3.07Å; W676-V680 PolarHBondContact O-N 2.86Å; R677-V680 PolarHBondContact O-N 3.42Å; V680-V683 PolarHBondContact O-N 3.47Å; V680-V683 VanDerWaalsContact O-N 3.11Å; V680-M684 HydrophobicContact CG1-CE 4.08Å; V680-M684 HydrophobicContact CG1-CG 3.96Å; V680-M684 HydrophobicContact CG1-SD 3.71Å; V680-M684 PolarHBondContact O-N 2.8Å; V680-L703 HydrophobicContact CB-CD1 4.23Å; V680-L703 HydrophobicContact CG1-CB 4.37Å; V680-L703 HydrophobicContact CG1-CD1 4.01Å; V680-L726 HydrophobicContact CB-CD2 4.45Å; V680-L726 HydrophobicContact CG1-CD2 4.11Å; V680-L726 HydrophobicContact CG2-CD2 4.24Å; V680-L730 HydrophobicContact CG2-CD1 3.74Å; V680-L730 HydrophobicContact CG2-CD2 3.76Å; V680-L730 HydrophobicContact CG2-CG 4.28Å; V680-V746 HydrophobicContact CG1-CB 4.3Å; V680-V746 HydrophobicContact CG1-CG2 3.93Å; V680-V746 HydrophobicContact CG2-CB 4.48Å; V680-V746 HydrophobicContact CG2-CG1 4.15Å; V680-V746 HydrophobicContact CG2-CG2 4.29Å
681	E	94.9	Very high	86.8	Confident	58 Å²	58	64.1 Å²	64.1	27%	0.271	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-43	-173.4	-173.2	-176	156.6	0	0	112.9	R677 V683 M684 R685 F698	R677-E681 VanDerWaalsContact O-CB 3.3Å; R677-E681 WeakPolarHBondContact O-CB 3.28Å; R677-E681 PolarHBondContact O-N 3.23Å; E681-V683 VanDerWaalsContact C-N 3.32Å; E681-V683 PolarHBondContact O-N 3.01Å; E681-M684 PolarHBondContact O-N 3.28Å; E681-R685 HydrophobicContact CG-CG 4.27Å; E681-R685 VanDerWaalsContact O-CB 3.3Å; E681-R685 WeakPolarHBondContact O-CB 3.49Å; E681-R685 VanDerWaalsContact O-CG 3.28Å; E681-R685 WeakPolarHBondContact O-CG 3.15Å; E681-R685 PolarHBondContact O-N 2.88Å; E681-R685 IonicContact OE1-CZ 2.92Å; E681-R685 IonicContact OE1-NE 3.15Å; E681-R685 PolarHBondContact OE1-NE 3.08Å; E681-R685 IonicContact OE1-NH2 3.14Å; E681-R685 PolarHBondContact OE1-NH2 2.78Å; E681-F698 HydrophobicContact CG-CE1 4.07Å; E681-F698 HydrophobicContact CG-CZ 4.24Å
682	P	95	Very high	88.4	Confident	79 Å²	79	66.6 Å²	66.6	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-36.8	175.3	-23.3	35.3	0	0	0	113.3	S678 S686	S678-P682 WeakPolarHBondContact O-CD 3.5Å; S678-P682 VanDerWaalsContact O-CG 3.26Å; S678-P682 WeakPolarHBondContact O-CG 3.18Å; P682-S686 WeakPolarHBondContact O-CB 3.46Å; P682-S686 PolarHBondContact O-N 2.87Å
683	V	95.3	Very high	90.1	Very high	19 Å²	19	65.5 Å²	65.5	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-68.3	-51.9	177.6	178.4	0	0	0	0	110	V680 E681 R685 S686 Y687 M722 L726	V680-V683 PolarHBondContact O-N 3.47Å; V680-V683 VanDerWaalsContact O-N 3.11Å; E681-V683 VanDerWaalsContact C-N 3.32Å; E681-V683 PolarHBondContact O-N 3.01Å; V683-R685 VanDerWaalsContact C-N 3.31Å; V683-R685 PolarHBondContact O-N 2.97Å; V683-S686 WeakPolarHBondContact O-CB 2.93Å; V683-S686 PolarHBondContact O-N 2.86Å; V683-S686 VanDerWaalsContact O-N 3.11Å; V683-Y687 HydrophobicContact CG1-CD2 4.01Å; V683-Y687 HydrophobicContact CG1-CE2 3.88Å; V683-Y687 WeakPolarHBondContact O-CD2 3.34Å; V683-Y687 PolarHBondContact O-N 3.1Å; V683-Y687 VanDerWaalsContact O-N 3.07Å; V683-M722 HydrophobicContact CG1-CG 4.45Å; V683-L726 HydrophobicContact CB-CD2 3.91Å; V683-L726 HydrophobicContact CG1-CD2 3.73Å; V683-L726 HydrophobicContact CG1-CG 4.09Å; V683-L726 HydrophobicContact CG2-CD2 4.48Å
684	M	96.4	Very high	91.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-38.7	177.3	-76	-172.8	163.4	0	0	112.4	V680 E681 Y687 M688 I696 L703 W705 M722 L726 V746	V680-M684 HydrophobicContact CG1-CE 4.08Å; V680-M684 HydrophobicContact CG1-CG 3.96Å; V680-M684 HydrophobicContact CG1-SD 3.71Å; V680-M684 PolarHBondContact O-N 2.8Å; E681-M684 PolarHBondContact O-N 3.28Å; M684-Y687 PolarHBondContact O-N 2.8Å; M684-M688 VanDerWaalsContact O-CB 3.3Å; M684-M688 WeakPolarHBondContact O-CB 3.33Å; M684-M688 PolarHBondContact O-N 3.08Å; M684-I696 HydrophobicContact CB-CD1 3.82Å; M684-I696 HydrophobicContact CB-CG1 4.24Å; M684-L703 HydrophobicContact SD-CB 3.99Å; M684-W705 HydrophobicContact CE-CB 4.04Å; M684-W705 HydrophobicContact CG-CB 4.37Å; M684-W705 HydrophobicContact SD-CB 4.13Å; M684-M722 HydrophobicContact CB-SD 4.46Å; M684-M722 HydrophobicContact CG-SD 3.91Å; M684-L726 HydrophobicContact CE-CD1 3.97Å; M684-L726 HydrophobicContact CG-CD1 4.38Å; M684-V746 HydrophobicContact CE-CG2 3.91Å
685	R	96.4	Very high	92.8	Very high	97 Å²	97	58.9 Å²	58.9	37%	0.366	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-42.8	173.3	-77.6	-178.9	-177.7	-76.8	-3.9	111.9	E681 V683 Y687 M688 E689 I696	E681-R685 HydrophobicContact CG-CG 4.27Å; E681-R685 VanDerWaalsContact O-CB 3.3Å; E681-R685 WeakPolarHBondContact O-CB 3.49Å; E681-R685 VanDerWaalsContact O-CG 3.28Å; E681-R685 WeakPolarHBondContact O-CG 3.15Å; E681-R685 PolarHBondContact O-N 2.88Å; E681-R685 IonicContact OE1-CZ 2.92Å; E681-R685 IonicContact OE1-NE 3.15Å; E681-R685 PolarHBondContact OE1-NE 3.08Å; E681-R685 IonicContact OE1-NH2 3.14Å; E681-R685 PolarHBondContact OE1-NH2 2.78Å; V683-R685 VanDerWaalsContact C-N 3.31Å; V683-R685 PolarHBondContact O-N 2.97Å; R685-Y687 VanDerWaalsContact C-N 3.34Å; R685-Y687 PolarHBondContact O-N 3Å; R685-M688 PolarHBondContact O-N 3.1Å; R685-E689 WeakPolarHBondContact O-CB 3.49Å; R685-E689 WeakPolarHBondContact O-CG 3.46Å; R685-E689 PolarHBondContact O-N 2.95Å; R685-I696 HydrophobicContact CG-CD1 3.83Å
686	S	95.7	Very high	93.5	Very high	76 Å²	76	53.4 Å²	53.4	53%	0.531	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-40.6	177.1	-170.5	0	0	0	0	112.5	P682 V683 A690	P682-S686 WeakPolarHBondContact O-CB 3.46Å; P682-S686 PolarHBondContact O-N 2.87Å; V683-S686 WeakPolarHBondContact O-CB 2.93Å; V683-S686 PolarHBondContact O-N 2.86Å; V683-S686 VanDerWaalsContact O-N 3.11Å; S686-A690 VanDerWaalsContact O-CB 3.27Å; S686-A690 WeakPolarHBondContact O-CB 3.14Å; S686-A690 PolarHBondContact O-N 3.3Å
687	Y	96	Very high	93.6	Very high	33 Å²	33	56.8 Å²	56.8	13%	0.129	32%	0.316	C	S	.	.	H	α-helix	trans	-72.3	-34.6	174	-77.5	-81.5	0	0	0	112.5	V683 M684 R685 A690 T691 Q718 E721 M722 H725	V683-Y687 HydrophobicContact CG1-CD2 4.01Å; V683-Y687 HydrophobicContact CG1-CE2 3.88Å; V683-Y687 WeakPolarHBondContact O-CD2 3.34Å; V683-Y687 PolarHBondContact O-N 3.1Å; V683-Y687 VanDerWaalsContact O-N 3.07Å; M684-Y687 PolarHBondContact O-N 2.8Å; R685-Y687 VanDerWaalsContact C-N 3.34Å; R685-Y687 PolarHBondContact O-N 3Å; Y687-A690 PolarHBondContact O-N 2.72Å; Y687-T691 WeakPolarHBondContact O-CB 3.38Å; Y687-T691 PolarHBondContact O-N 3.14Å; Y687-T691 VanDerWaalsContact O-N 3.07Å; Y687-T691 PolarHBondContact O-OG1 2.85Å; Y687-Q718 HydrophobicContact CD1-CB 4.4Å; Y687-E721 HydrophobicContact CE1-CB 4.19Å; Y687-E721 PolarHBondContact OH-O 3.43Å; Y687-M722 HydrophobicContact CD1-CB 3.97Å; Y687-M722 HydrophobicContact CD2-CB 3.58Å; Y687-M722 HydrophobicContact CD2-CG 3.39Å; Y687-M722 HydrophobicContact CD2-SD 3.75Å; Y687-M722 HydrophobicContact CE1-CB 4.02Å; Y687-M722 HydrophobicContact CE2-CB 3.62Å; Y687-M722 HydrophobicContact CE2-CG 3.69Å; Y687-M722 HydrophobicContact CG-CB 3.77Å; Y687-M722 HydrophobicContact CG-CG 3.91Å; Y687-M722 HydrophobicContact CG-SD 3.91Å; Y687-H725 HydrophobicContact CE2-CB 4.49Å; Y687-H725 AromaticContact CE2-ND1 3.54Å; Y687-H725 AromaticContact CZ-ND1 3.88Å; Y687-H725 PolarHBondContact OH-ND1 3.01Å
688	M	95.2	Very high	93.6	Very high	50 Å²	50	59.3 Å²	59.3	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-47.6	174.9	-172.7	-168.2	71.8	0	0	111.9	M684 R685 A690 T691 T694 I696	M684-M688 VanDerWaalsContact O-CB 3.3Å; M684-M688 WeakPolarHBondContact O-CB 3.33Å; M684-M688 PolarHBondContact O-N 3.08Å; R685-M688 PolarHBondContact O-N 3.1Å; M688-A690 PolarHBondContact O-N 3.11Å; M688-T691 PolarHBondContact O-N 3.05Å; M688-T691 VanDerWaalsContact O-O 3.11Å; M688-T694 WeakPolarHBondContact CA-OG1 3.42Å; M688-T694 PolarHBondContact O-OG1 2.82Å; M688-I696 HydrophobicContact CB-CD1 4.3Å; M688-I696 HydrophobicContact CB-CG1 4.46Å; M688-I696 HydrophobicContact SD-CD1 3.85Å; M688-I696 HydrophobicContact SD-CG1 3.84Å
689	E	95.6	Very high	93.4	Very high	156 Å²	156	56.5 Å²	56.5	73%	0.729	31%	0.306	S	S	*	.	H	α-helix	trans	-66.9	-25.9	177.6	-70.6	174	-161.5	0	0	112.7	R685	R685-E689 WeakPolarHBondContact O-CB 3.49Å; R685-E689 WeakPolarHBondContact O-CG 3.46Å; R685-E689 PolarHBondContact O-N 2.95Å
690	A	93.6	Very high	93.2	Very high	58 Å²	58	57.6 Å²	57.6	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-86.4	-9.1	174.7	0	0	0	0	0	114.5	S686 Y687 M688	S686-A690 VanDerWaalsContact O-CB 3.27Å; S686-A690 WeakPolarHBondContact O-CB 3.14Å; S686-A690 PolarHBondContact O-N 3.3Å; Y687-A690 PolarHBondContact O-N 2.72Å; M688-A690 PolarHBondContact O-N 3.11Å
691	T	93.4	Very high	92.7	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.012	31%	0.313	C	S	.	.	S	Bend	trans	-133.4	100	-171	-39.2	0	0	0	0	110.9	Y687 M688 T694 W705 A710 F714 Q718	Y687-T691 WeakPolarHBondContact O-CB 3.38Å; Y687-T691 PolarHBondContact O-N 3.14Å; Y687-T691 VanDerWaalsContact O-N 3.07Å; Y687-T691 PolarHBondContact O-OG1 2.85Å; M688-T691 PolarHBondContact O-N 3.05Å; M688-T691 VanDerWaalsContact O-O 3.11Å; T691-T694 HydrophobicContact CG2-CG2 3.47Å; T691-T694 VanDerWaalsContact CG2-CG2 3.47Å; T691-T694 WeakPolarHBondContact O-CB 3.46Å; T691-T694 WeakPolarHBondContact O-CG2 3.3Å; T691-T694 PolarHBondContact O-N 2.92Å; T691-T694 PolarHBondContact O-OG1 2.93Å; T691-W705 HydrophobicContact CG2-CH2 4.41Å; T691-W705 HydrophobicContact CG2-CZ2 4.42Å; T691-A710 HydrophobicContact CG2-CB 4.34Å; T691-F714 HydrophobicContact CG2-CD1 3.89Å; T691-F714 HydrophobicContact CG2-CE1 3.83Å; T691-Q718 HydrophobicContact CG2-CB 4.3Å; T691-Q718 HydrophobicContact CG2-CG 4.01Å; T691-Q718 WeakPolarHBondContact OG1-CG 3.49Å; T691-Q718 PolarHBondContact OG1-NE2 2.98Å
692	D	92.1	Very high	92.5	Very high	155 Å²	155	55.2 Å²	55.2	83%	0.829	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	148.1	175	-169	24.1	0	0	0	111.5	T694 A710	D692-T694 VanDerWaalsContact C-N 3.34Å; D692-A710 WeakPolarHBondContact O-CA 3.47Å; D692-A710 VanDerWaalsContact O-CB 3.25Å; D692-A710 WeakPolarHBondContact O-CB 3.16Å
693	G	90.3	Very high	92.3	Very high	28 Å²	28	51.5 Å²	51.5	29%	0.289	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	18.1	-173.4	0	0	0	0	0	115.4	D709 A710	G693-D709 CarbonylContact O-C 3.59Å; G693-A710 PolarHBondContact O-N 3.38Å; G693-A710 VanDerWaalsContact O-N 3.16Å
694	T	94.9	Very high	92.2	Very high	20 Å²	20	50.6 Å²	50.6	12%	0.123	27%	0.271	C	S	.	.			trans	-115.5	157.9	177.2	71.2	0	0	0	0	113	M688 T691 D692 W705 H706 H707 A710	M688-T694 WeakPolarHBondContact CA-OG1 3.42Å; M688-T694 PolarHBondContact O-OG1 2.82Å; T691-T694 HydrophobicContact CG2-CG2 3.47Å; T691-T694 VanDerWaalsContact CG2-CG2 3.47Å; T691-T694 WeakPolarHBondContact O-CB 3.46Å; T691-T694 WeakPolarHBondContact O-CG2 3.3Å; T691-T694 PolarHBondContact O-N 2.92Å; T691-T694 PolarHBondContact O-OG1 2.93Å; D692-T694 VanDerWaalsContact C-N 3.34Å; T694-W705 HydrophobicContact CG2-CH2 3.85Å; T694-W705 HydrophobicContact CG2-CZ2 3.56Å; T694-H706 WeakPolarHBondContact CA-O 3.04Å; T694-H706 VanDerWaalsContact CB-O 3.29Å; T694-H706 WeakPolarHBondContact CB-O 3.44Å; T694-H707 HydrophobicContact CG2-CB 3.92Å; T694-A710 HydrophobicContact CG2-CB 3.75Å
695	S	94.1	Very high	92.1	Very high	62 Å²	62	50.6 Å²	50.6	43%	0.434	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164	-179.3	63.6	0	0	0	0	112.9	W705 H706	S695-W705 CarbonylContact O-C 3.55Å; S695-W705 WeakPolarHBondContact O-CA 3.33Å; S695-H706 PolarHBondContact N-O 3.24Å; S695-H706 PolarHBondContact O-N 2.96Å
696	I	94	Very high	91.9	Very high	24 Å²	24	48.5 Å²	48.5	12%	0.123	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122	177	-58.1	165.2	0	0	0	109.6	M684 R685 M688 F698 L703 V704	M684-I696 HydrophobicContact CB-CD1 3.82Å; M684-I696 HydrophobicContact CB-CG1 4.24Å; R685-I696 HydrophobicContact CG-CD1 3.83Å; M688-I696 HydrophobicContact CB-CD1 4.3Å; M688-I696 HydrophobicContact CB-CG1 4.46Å; M688-I696 HydrophobicContact SD-CD1 3.85Å; M688-I696 HydrophobicContact SD-CG1 3.84Å; I696-F698 HydrophobicContact CB-CE2 3.92Å; I696-F698 HydrophobicContact CB-CZ 4.39Å; I696-F698 HydrophobicContact CG2-CD2 3.96Å; I696-F698 HydrophobicContact CG2-CE1 4.38Å; I696-F698 HydrophobicContact CG2-CE2 3.54Å; I696-F698 HydrophobicContact CG2-CZ 3.78Å; I696-L703 HydrophobicContact CG2-CD2 3.83Å; I696-V704 CarbonylContact C-O 3.45Å; I696-V704 WeakPolarHBondContact CA-O 3.37Å
697	E	90	Very high	91.7	Very high	74 Å²	74	45.2 Å²	45.2	35%	0.346	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.9	167.7	-178	-166.1	175.3	0	0	109.4	K699 V704 H706	E697-K699 VanDerWaalsContact CD-CE 3.42Å; E697-K699 HydrophobicContact CG-CG 4.19Å; E697-K699 WeakPolarHBondContact OE1-CE 3.3Å; E697-K699 WeakPolarHBondContact OE2-CE 3.25Å; E697-V704 HydrophobicContact CB-CB 4.25Å; E697-V704 PolarHBondContact N-O 3.24Å; E697-V704 PolarHBondContact O-N 2.97Å; E697-H706 IonicContact OE2-CD2 3.2Å; E697-H706 IonicContact OE2-CE1 3.45Å; E697-H706 IonicContact OE2-NE2 3.32Å; E697-H706 PolarHBondContact OE2-NE2 3.04Å
698	F	89.5	Confident	91.2	Very high	102 Å²	102	50 Å²	50	45%	0.447	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105.5	177.6	-66.2	-101.2	0	0	0	108.9	E681 I696 L703	E681-F698 HydrophobicContact CG-CE1 4.07Å; E681-F698 HydrophobicContact CG-CZ 4.24Å; I696-F698 HydrophobicContact CB-CE2 3.92Å; I696-F698 HydrophobicContact CB-CZ 4.39Å; I696-F698 HydrophobicContact CG2-CD2 3.96Å; I696-F698 HydrophobicContact CG2-CE1 4.38Å; I696-F698 HydrophobicContact CG2-CE2 3.54Å; I696-F698 HydrophobicContact CG2-CZ 3.78Å; F698-L703 HydrophobicContact CD1-CD2 3.56Å; F698-L703 HydrophobicContact CE1-CD2 3.64Å; F698-L703 HydrophobicContact CG-CD2 4.22Å; F698-L703 HydrophobicContact CZ-CD2 4.35Å
699	K	85.3	Confident	90.8	Very high	25 Å²	25	54.5 Å²	54.5	11%	0.109	29%	0.289	C	S	.	.			trans	-94	168.9	173.4	-56.2	-175.3	-174.4	169.5	0	110.4	G631 E652 R677 E697 A702 V704 E745	G631-K699 PolarHBondContact O-NZ 3.48Å; E652-K699 WeakPolarHBondContact OE2-CB 3.34Å; R677-K699 PolarHBondContact NH1-O 2.68Å; R677-K699 PolarHBondContact NH2-O 2.87Å; E697-K699 VanDerWaalsContact CD-CE 3.42Å; E697-K699 HydrophobicContact CG-CG 4.19Å; E697-K699 WeakPolarHBondContact OE1-CE 3.3Å; E697-K699 WeakPolarHBondContact OE2-CE 3.25Å; K699-A702 CarbonylContact C-O 3.4Å; K699-A702 WeakPolarHBondContact CA-O 3.41Å; K699-A702 HydrophobicContact CB-CB 4.32Å; K699-A702 WeakPolarHBondContact CB-O 3.46Å; K699-A702 HydrophobicContact CD-CB 4.3Å; K699-A702 PolarHBondContact N-O 3.07Å; K699-V704 HydrophobicContact CD-CG2 4.17Å; K699-E745 IonicContact NZ-OE1 4Å; K699-E745 PolarHBondContact NZ-OE1 2.66Å
700	E	84.7	Confident	90.4	Very high	92 Å²	92	47.5 Å²	47.5	43%	0.43	26%	0.259	S	S	.	.	S	Bend	trans	-71.8	-35.8	-179.5	-67.1	-172.2	-107.8	0	0	112.1	R634 E652 F656 R677	R634-E700 IonicContact CZ-OE1 3.45Å; R634-E700 IonicContact CZ-OE2 3.55Å; R634-E700 IonicContact NE-OE1 2.76Å; R634-E700 PolarHBondContact NE-OE1 2.92Å; R634-E700 IonicContact NE-OE2 2.92Å; R634-E700 IonicContact NH2-OE1 3.37Å; R634-E700 PolarHBondContact NH2-OE1 3.17Å; R634-E700 IonicContact NH2-OE2 2.75Å; R634-E700 PolarHBondContact NH2-OE2 3.39Å; E652-E700 PolarHBondContact OE1-N 3.06Å; E652-E700 VanDerWaalsContact OE1-N 3.11Å; E652-E700 PolarHBondContact OE2-N 2.97Å; F656-E700 HydrophobicContact CE2-CB 3.76Å; F656-E700 HydrophobicContact CE2-CG 4.37Å; F656-E700 HydrophobicContact CZ-CB 3.76Å; F656-E700 HydrophobicContact CZ-CG 4.39Å; R677-E700 PolarHBondContact NH2-O 2.97Å; R677-E700 VanDerWaalsContact NH2-O 3.07Å
701	S	85.1	Confident	90.2	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.042	26%	0.26	C	S	.	.	S	Bend	trans	-95.6	-40.8	174.6	71.5	0	0	0	0	113	E652 W676 R677	E652-S701 WeakPolarHBondContact CB-OG 3.42Å; E652-S701 WeakPolarHBondContact OE2-CA 3.48Å; E652-S701 VanDerWaalsContact OE2-CB 3.24Å; E652-S701 WeakPolarHBondContact OE2-CB 3.23Å; E652-S701 PolarHBondContact OE2-N 3.01Å; E652-S701 PolarHBondContact OE2-OG 2.98Å; W676-S701 VanDerWaalsContact CZ2-O 3.3Å; W676-S701 WeakPolarHBondContact CZ2-O 3.4Å; R677-S701 PolarHBondContact NH2-O 3.47Å
702	A	89.5	Confident	89.2	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.008	29%	0.29	C	S	.	.			trans	-114.3	168.8	-170.7	0	0	0	0	0	115.3	R677 K699 E745 V746 K747	R677-A702 VanDerWaalsContact NH2-N 3.16Å; R677-A702 PolarHBondContact NH2-O 3.42Å; R677-A702 VanDerWaalsContact NH2-O 3.12Å; K699-A702 CarbonylContact C-O 3.4Å; K699-A702 WeakPolarHBondContact CA-O 3.41Å; K699-A702 HydrophobicContact CB-CB 4.32Å; K699-A702 WeakPolarHBondContact CB-O 3.46Å; K699-A702 HydrophobicContact CD-CB 4.3Å; K699-A702 PolarHBondContact N-O 3.07Å; A702-E745 HydrophobicContact CB-CG 4.11Å; A702-V746 VanDerWaalsContact CA-O 3.3Å; A702-V746 WeakPolarHBondContact CA-O 3.23Å; A702-V746 WeakPolarHBondContact CB-O 3.18Å; A702-K747 HydrophobicContact CB-CB 3.78Å
703	L	91.9	Very high	88.2	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.6	165.1	-89	147.8	0	0	0	108	W676 R677 V680 M684 I696 F698 E745 V746	W676-L703 HydrophobicContact CH2-CD1 4.25Å; W676-L703 HydrophobicContact CZ3-CD1 3.81Å; R677-L703 HydrophobicContact CB-CD1 4Å; R677-L703 HydrophobicContact CG-CD1 3.92Å; V680-L703 HydrophobicContact CB-CD1 4.23Å; V680-L703 HydrophobicContact CG1-CB 4.37Å; V680-L703 HydrophobicContact CG1-CD1 4.01Å; M684-L703 HydrophobicContact SD-CB 3.99Å; I696-L703 HydrophobicContact CG2-CD2 3.83Å; F698-L703 HydrophobicContact CD1-CD2 3.56Å; F698-L703 HydrophobicContact CE1-CD2 3.64Å; F698-L703 HydrophobicContact CG-CD2 4.22Å; F698-L703 HydrophobicContact CZ-CD2 4.35Å; L703-E745 CarbonylContact O-C 3.47Å; L703-E745 WeakPolarHBondContact O-CA 3.11Å; L703-V746 PolarHBondContact N-O 3.05Å; L703-V746 PolarHBondContact O-N 3.16Å
704	V	92.3	Very high	87.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.8	179.5	-169.2	0	0	0	0	110.2	I696 E697 K699 I743 E745	I696-V704 CarbonylContact C-O 3.45Å; I696-V704 WeakPolarHBondContact CA-O 3.37Å; E697-V704 HydrophobicContact CB-CB 4.25Å; E697-V704 PolarHBondContact N-O 3.24Å; E697-V704 PolarHBondContact O-N 2.97Å; K699-V704 HydrophobicContact CD-CG2 4.17Å; V704-I743 HydrophobicContact CG1-CB 3.81Å; V704-I743 HydrophobicContact CG1-CD1 4.13Å; V704-I743 HydrophobicContact CG1-CG1 4.5Å; V704-I743 HydrophobicContact CG1-CG2 4.03Å; V704-E745 HydrophobicContact CG1-CB 4.45Å; V704-E745 HydrophobicContact CG2-CB 4.12Å; V704-E745 HydrophobicContact CG2-CG 3.9Å
705	W	95	Very high	87.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.1	170.9	-175.7	88.3	0	0	0	109.4	M684 T691 T694 S695 H707 Q718 A719 M722 I743 V744	M684-W705 HydrophobicContact CE-CB 4.04Å; M684-W705 HydrophobicContact CG-CB 4.37Å; M684-W705 HydrophobicContact SD-CB 4.13Å; T691-W705 HydrophobicContact CG2-CH2 4.41Å; T691-W705 HydrophobicContact CG2-CZ2 4.42Å; T694-W705 HydrophobicContact CG2-CH2 3.85Å; T694-W705 HydrophobicContact CG2-CZ2 3.56Å; S695-W705 CarbonylContact O-C 3.55Å; S695-W705 WeakPolarHBondContact O-CA 3.33Å; W705-H707 HydrophobicContact CE3-CB 4.04Å; W705-H707 HydrophobicContact CH2-CB 3.9Å; W705-H707 HydrophobicContact CZ3-CB 3.5Å; W705-H707 VanDerWaalsContact CZ3-CB 3.5Å; W705-H707 AromaticContact CZ3-CD2 3.78Å; W705-H707 AromaticContact CZ3-CG 3.92Å; W705-Q718 HydrophobicContact CH2-CB 3.9Å; W705-A719 HydrophobicContact CZ3-CB 3.95Å; W705-M722 HydrophobicContact CB-CE 3.79Å; W705-M722 HydrophobicContact CB-SD 4.44Å; W705-M722 HydrophobicContact CD2-CE 3.39Å; W705-M722 HydrophobicContact CD2-SD 4.15Å; W705-M722 HydrophobicContact CE3-CE 3.3Å; W705-M722 HydrophobicContact CG-CE 3.64Å; W705-M722 HydrophobicContact CG-SD 4.12Å; W705-M722 HydrophobicContact CZ3-CE 3.92Å; W705-I743 CarbonylContact O-C 3.25Å; W705-I743 VanDerWaalsContact O-CA 3.3Å; W705-I743 WeakPolarHBondContact O-CA 3.48Å; W705-V744 HydrophobicContact CE3-CG2 4.45Å; W705-V744 PolarHBondContact N-O 3.34Å; W705-V744 PolarHBondContact O-N 2.98Å
706	H	91.7	Very high	86.9	Confident	53 Å²	53	50.3 Å²	50.3	25%	0.245	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.4	-175.6	-69.9	-92.5	0	0	0	110.6	T694 S695 E697 I743	T694-H706 WeakPolarHBondContact CA-O 3.04Å; T694-H706 VanDerWaalsContact CB-O 3.29Å; T694-H706 WeakPolarHBondContact CB-O 3.44Å; S695-H706 PolarHBondContact N-O 3.24Å; S695-H706 PolarHBondContact O-N 2.96Å; E697-H706 IonicContact OE2-CD2 3.2Å; E697-H706 IonicContact OE2-CE1 3.45Å; E697-H706 IonicContact OE2-NE2 3.32Å; E697-H706 PolarHBondContact OE2-NE2 3.04Å; H706-I743 VanDerWaalsContact ND1-CG2 3.31Å; H706-I743 WeakPolarHBondContact ND1-CG2 3.33Å
707	H	91.2	Very high	86.3	Confident	7 Å²	7	50.6 Å²	50.6	3%	0.032	26%	0.26	C	S	.	.			trans	-131.4	23.9	-178.3	80.2	78.3	0	0	0	114.2	T694 W705 A710 H742	T694-H707 HydrophobicContact CG2-CB 3.92Å; W705-H707 HydrophobicContact CE3-CB 4.04Å; W705-H707 HydrophobicContact CH2-CB 3.9Å; W705-H707 HydrophobicContact CZ3-CB 3.5Å; W705-H707 VanDerWaalsContact CZ3-CB 3.5Å; W705-H707 AromaticContact CZ3-CD2 3.78Å; W705-H707 AromaticContact CZ3-CG 3.92Å; H707-A710 HydrophobicContact CB-CB 4.44Å; H707-H742 PolarHBondContact CD2-O 3.4Å; H707-H742 PolarHBondContact N-O 2.79Å
708	Q	85.6	Confident	86.4	Confident	133 Å²	133	47.9 Å²	47.9	62%	0.621	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-37.3	-177.2	-172.7	171.9	2.7	0	0	113.4	H742	Q708-H742 HydrophobicContact CB-CB 3.88Å; Q708-H742 HydrophobicContact CG-CB 4.4Å
709	D	86.3	Confident	86.4	Confident	144 Å²	144	43 Å²	43	77%	0.77	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.8	-178.2	-61.4	-52.6	0	0	0	113.6	G693	G693-D709 CarbonylContact O-C 3.59Å
710	A	87.8	Confident	86.4	Confident	10 Å²	10	44.9 Å²	44.9	8%	0.083	23%	0.234	C	C	.	.	S	Bend	trans	-78.5	167.2	175.1	0	0	0	0	0	112	T691 D692 G693 T694 H707 P712	T691-A710 HydrophobicContact CG2-CB 4.34Å; D692-A710 WeakPolarHBondContact O-CA 3.47Å; D692-A710 VanDerWaalsContact O-CB 3.25Å; D692-A710 WeakPolarHBondContact O-CB 3.16Å; G693-A710 PolarHBondContact O-N 3.38Å; G693-A710 VanDerWaalsContact O-N 3.16Å; T694-A710 HydrophobicContact CG2-CB 3.75Å; H707-A710 HydrophobicContact CB-CB 4.44Å; A710-P712 WeakPolarHBondContact O-CD 3.24Å
711	D	88.6	Confident	86.6	Confident	96 Å²	96	45.1 Å²	45.1	51%	0.513	24%	0.235	S	C	.	.			trans	-55.1	126.5	166.6	173.3	-93.7	0	0	0	109.9	D713 F714 G715	D711-D713 PolarHBondContact O-N 2.7Å; D711-D713 PolarHBondContact OD1-N 2.72Å; D711-D713 VanDerWaalsContact OD1-N 3.16Å; D711-F714 HydrophobicContact CB-CB 4.13Å; D711-F714 PolarHBondContact O-N 3.47Å; D711-F714 WeakPolarHBondContact OD1-CB 3.38Å; D711-F714 PolarHBondContact OD1-N 2.93Å; D711-G715 PolarHBondContact O-N 3.25Å
712	P	73.3	Confident	87	Confident	98 Å²	98	44.9 Å²	44.9	64%	0.636	23%	0.233	S	C	*	.	H	α-helix	trans	-62.3	-36.5	-171.1	-27.7	36	0	0	0	114.7	A710 S716	A710-P712 WeakPolarHBondContact O-CD 3.24Å; P712-S716 WeakPolarHBondContact O-CB 3.41Å; P712-S716 PolarHBondContact O-N 3.16Å
713	D	71.4	Confident	87.1	Confident	72 Å²	72	46 Å²	46	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-72.8	-46.7	179.1	-84.9	-1	0	0	0	110	D711 C717	D711-D713 PolarHBondContact O-N 2.7Å; D711-D713 PolarHBondContact OD1-N 2.72Å; D711-D713 VanDerWaalsContact OD1-N 3.16Å; D713-C717 WeakPolarHBondContact O-CB 3.43Å; D713-C717 PolarHBondContact O-N 2.88Å; D713-C717 VanDerWaalsContact O-N 3.1Å
714	F	84.4	Confident	86.9	Confident	96 Å²	96	50.1 Å²	50.1	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-72.7	-48.1	-177.5	-175.7	-129.3	0	0	0	112.4	T691 D711 S716 C717 Q718	T691-F714 HydrophobicContact CG2-CD1 3.89Å; T691-F714 HydrophobicContact CG2-CE1 3.83Å; D711-F714 HydrophobicContact CB-CB 4.13Å; D711-F714 PolarHBondContact O-N 3.47Å; D711-F714 WeakPolarHBondContact OD1-CB 3.38Å; D711-F714 PolarHBondContact OD1-N 2.93Å; F714-S716 VanDerWaalsContact C-N 3.29Å; F714-S716 PolarHBondContact O-N 2.93Å; F714-C717 WeakPolarHBondContact O-CA 3.38Å; F714-C717 WeakPolarHBondContact O-CB 3.46Å; F714-C717 PolarHBondContact O-N 3.03Å; F714-Q718 HydrophobicContact CD1-CG 4.34Å; F714-Q718 HydrophobicContact CD2-CG 3.86Å; F714-Q718 HydrophobicContact CE1-CG 4.07Å; F714-Q718 HydrophobicContact CE2-CG 3.53Å; F714-Q718 HydrophobicContact CG-CG 4.25Å; F714-Q718 HydrophobicContact CZ-CG 3.65Å; F714-Q718 WeakPolarHBondContact O-CB 3.33Å; F714-Q718 VanDerWaalsContact O-CG 3.27Å; F714-Q718 WeakPolarHBondContact O-CG 3.35Å; F714-Q718 PolarHBondContact O-N 3.31Å
715	G	87.8	Confident	87	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-38.6	175.9	0	0	0	0	0	112.4	D711 A719	D711-G715 PolarHBondContact O-N 3.25Å; G715-A719 VanDerWaalsContact O-CB 3.22Å; G715-A719 WeakPolarHBondContact O-CB 3.38Å; G715-A719 PolarHBondContact O-N 2.78Å
716	S	80.5	Confident	87	Confident	21 Å²	21	54 Å²	54	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-67	-33.2	173	-175.6	0	0	0	0	113.2	P712 F714 K720 R739	P712-S716 WeakPolarHBondContact O-CB 3.41Å; P712-S716 PolarHBondContact O-N 3.16Å; F714-S716 VanDerWaalsContact C-N 3.29Å; F714-S716 PolarHBondContact O-N 2.93Å; S716-K720 PolarHBondContact O-N 2.69Å; S716-R739 PolarHBondContact O-NH2 3.22Å; S716-R739 PolarHBondContact OG-NH2 3.08Å
717	C	81.1	Confident	87	Confident	30 Å²	30	56.3 Å²	56.3	20%	0.203	29%	0.29	C	S	.	.	H	α-helix	trans	-70.8	-50	174.6	-153.2	0	0	0	0	111.2	D713 F714 A719 K720 E721	D713-C717 WeakPolarHBondContact O-CB 3.43Å; D713-C717 PolarHBondContact O-N 2.88Å; D713-C717 VanDerWaalsContact O-N 3.1Å; F714-C717 WeakPolarHBondContact O-CA 3.38Å; F714-C717 WeakPolarHBondContact O-CB 3.46Å; F714-C717 PolarHBondContact O-N 3.03Å; C717-A719 VanDerWaalsContact C-N 3.33Å; C717-A719 PolarHBondContact O-N 2.6Å; C717-K720 WeakPolarHBondContact O-CA 3.35Å; C717-K720 WeakPolarHBondContact O-CB 3.43Å; C717-K720 PolarHBondContact O-N 2.86Å; C717-E721 PolarHBondContact O-N 2.74Å
718	Q	91	Very high	86.9	Confident	18 Å²	18	60.5 Å²	60.5	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-60	-40.9	177.7	-67.1	-76.6	87.2	0	0	111.6	Y687 T691 W705 F714 K720 E721 M722	Y687-Q718 HydrophobicContact CD1-CB 4.4Å; T691-Q718 HydrophobicContact CG2-CB 4.3Å; T691-Q718 HydrophobicContact CG2-CG 4.01Å; T691-Q718 WeakPolarHBondContact OG1-CG 3.49Å; T691-Q718 PolarHBondContact OG1-NE2 2.98Å; W705-Q718 HydrophobicContact CH2-CB 3.9Å; F714-Q718 HydrophobicContact CD1-CG 4.34Å; F714-Q718 HydrophobicContact CD2-CG 3.86Å; F714-Q718 HydrophobicContact CE1-CG 4.07Å; F714-Q718 HydrophobicContact CE2-CG 3.53Å; F714-Q718 HydrophobicContact CG-CG 4.25Å; F714-Q718 HydrophobicContact CZ-CG 3.65Å; F714-Q718 WeakPolarHBondContact O-CB 3.33Å; F714-Q718 VanDerWaalsContact O-CG 3.27Å; F714-Q718 WeakPolarHBondContact O-CG 3.35Å; F714-Q718 PolarHBondContact O-N 3.31Å; Q718-K720 PolarHBondContact O-N 2.87Å; Q718-E721 PolarHBondContact O-N 2.78Å; Q718-M722 WeakPolarHBondContact O-CB 3.35Å; Q718-M722 PolarHBondContact O-N 3.29Å
719	A	90.5	Very high	87.2	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-57.5	-35.7	172.5	0	0	0	0	0	113	W705 G715 C717 L723 V744	W705-A719 HydrophobicContact CZ3-CB 3.95Å; G715-A719 VanDerWaalsContact O-CB 3.22Å; G715-A719 WeakPolarHBondContact O-CB 3.38Å; G715-A719 PolarHBondContact O-N 2.78Å; C717-A719 VanDerWaalsContact C-N 3.33Å; C717-A719 PolarHBondContact O-N 2.6Å; A719-L723 VanDerWaalsContact O-CB 3.31Å; A719-L723 WeakPolarHBondContact O-CB 3.42Å; A719-L723 PolarHBondContact O-N 3.01Å; A719-V744 HydrophobicContact CB-CG2 3.84Å; A719-V744 WeakPolarHBondContact O-CG2 3.33Å
720	K	85.2	Confident	87.4	Confident	64 Å²	64	50.5 Å²	50.5	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-79.7	-44.8	179.3	-175.3	167.2	-176.5	154.6	0	112.1	S272 S716 C717 Q718 M722 L723 D724	S272-K720 PolarHBondContact OG-NZ 2.79Å; S716-K720 PolarHBondContact O-N 2.69Å; C717-K720 WeakPolarHBondContact O-CA 3.35Å; C717-K720 WeakPolarHBondContact O-CB 3.43Å; C717-K720 PolarHBondContact O-N 2.86Å; Q718-K720 PolarHBondContact O-N 2.87Å; K720-M722 VanDerWaalsContact C-N 3.28Å; K720-M722 PolarHBondContact O-N 2.93Å; K720-L723 WeakPolarHBondContact O-CB 3.28Å; K720-L723 PolarHBondContact O-N 3.19Å; K720-L723 VanDerWaalsContact O-N 3.17Å; K720-D724 PolarHBondContact O-N 3.2Å
721	E	88.2	Confident	87.4	Confident	97 Å²	97	53.5 Å²	53.5	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-37.6	176.2	-69.5	-178.7	-145.4	0	0	111.4	Y687 C717 Q718 H725	Y687-E721 HydrophobicContact CE1-CB 4.19Å; Y687-E721 PolarHBondContact OH-O 3.43Å; C717-E721 PolarHBondContact O-N 2.74Å; Q718-E721 PolarHBondContact O-N 2.78Å; E721-H725 WeakPolarHBondContact O-CB 3.35Å; E721-H725 PolarHBondContact O-N 3.29Å
722	M	94.3	Very high	87.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.8	-35.5	172.9	-173.2	179.7	56.6	0	0	112.9	V683 M684 Y687 W705 Q718 K720 H725 L726 V744	V683-M722 HydrophobicContact CG1-CG 4.45Å; M684-M722 HydrophobicContact CB-SD 4.46Å; M684-M722 HydrophobicContact CG-SD 3.91Å; Y687-M722 HydrophobicContact CD1-CB 3.97Å; Y687-M722 HydrophobicContact CD2-CB 3.58Å; Y687-M722 HydrophobicContact CD2-CG 3.39Å; Y687-M722 HydrophobicContact CD2-SD 3.75Å; Y687-M722 HydrophobicContact CE1-CB 4.02Å; Y687-M722 HydrophobicContact CE2-CB 3.62Å; Y687-M722 HydrophobicContact CE2-CG 3.69Å; Y687-M722 HydrophobicContact CG-CB 3.77Å; Y687-M722 HydrophobicContact CG-CG 3.91Å; Y687-M722 HydrophobicContact CG-SD 3.91Å; W705-M722 HydrophobicContact CB-CE 3.79Å; W705-M722 HydrophobicContact CB-SD 4.44Å; W705-M722 HydrophobicContact CD2-CE 3.39Å; W705-M722 HydrophobicContact CD2-SD 4.15Å; W705-M722 HydrophobicContact CE3-CE 3.3Å; W705-M722 HydrophobicContact CG-CE 3.64Å; W705-M722 HydrophobicContact CG-SD 4.12Å; W705-M722 HydrophobicContact CZ3-CE 3.92Å; Q718-M722 WeakPolarHBondContact O-CB 3.35Å; Q718-M722 PolarHBondContact O-N 3.29Å; K720-M722 VanDerWaalsContact C-N 3.28Å; K720-M722 PolarHBondContact O-N 2.93Å; M722-H725 PolarHBondContact O-N 3.2Å; M722-L726 HydrophobicContact CG-CD1 3.7Å; M722-L726 HydrophobicContact CG-CG 4.06Å; M722-L726 VanDerWaalsContact O-CB 3.26Å; M722-L726 WeakPolarHBondContact O-CB 3.43Å; M722-L726 WeakPolarHBondContact O-CG 3.34Å; M722-L726 PolarHBondContact O-N 2.9Å; M722-L726 HydrophobicContact SD-CD1 4.25Å; M722-V744 HydrophobicContact CE-CB 3.63Å; M722-V744 HydrophobicContact CE-CG1 4.03Å; M722-V744 HydrophobicContact CE-CG2 3.73Å
723	L	91.4	Very high	88.1	Confident	26 Å²	26	55 Å²	55	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-55.1	171.9	174.8	67.7	0	0	0	110.3	A719 K720 H725 L726 E727 V737 R739	A719-L723 VanDerWaalsContact O-CB 3.31Å; A719-L723 WeakPolarHBondContact O-CB 3.42Å; A719-L723 PolarHBondContact O-N 3.01Å; K720-L723 WeakPolarHBondContact O-CB 3.28Å; K720-L723 PolarHBondContact O-N 3.19Å; K720-L723 VanDerWaalsContact O-N 3.17Å; L723-H725 VanDerWaalsContact C-N 3.26Å; L723-H725 PolarHBondContact O-N 2.64Å; L723-L726 PolarHBondContact O-N 3.12Å; L723-E727 HydrophobicContact CD1-CG 4.16Å; L723-E727 WeakPolarHBondContact O-CB 3.27Å; L723-E727 WeakPolarHBondContact O-CG 3.28Å; L723-E727 PolarHBondContact O-N 3.38Å; L723-V737 HydrophobicContact CD1-CB 3.84Å; L723-V737 HydrophobicContact CD1-CG1 3.46Å; L723-V737 VanDerWaalsContact CD1-CG1 3.46Å; L723-R739 HydrophobicContact CD2-CB 4.2Å
724	D	88.2	Confident	88.9	Confident	88 Å²	88	54.2 Å²	54.2	47%	0.471	30%	0.297	S	S	.	.	H	α-helix	trans	-58.9	-38.6	-179.7	-64.2	-13.4	0	0	0	111.3	K720 S728	K720-D724 PolarHBondContact O-N 3.2Å; D724-S728 WeakPolarHBondContact O-CB 3.38Å; D724-S728 PolarHBondContact O-N 3.43Å; D724-S728 VanDerWaalsContact O-N 3.13Å
725	H	92.9	Very high	89.2	Confident	81 Å²	81	50.2 Å²	50.2	38%	0.375	28%	0.28	S	S	.	.	H	α-helix	trans	-69.2	-48	176.8	-173.3	176	0	0	0	112.3	Y687 E721 M722 L723 S728 V729	Y687-H725 HydrophobicContact CE2-CB 4.49Å; Y687-H725 AromaticContact CE2-ND1 3.54Å; Y687-H725 AromaticContact CZ-ND1 3.88Å; Y687-H725 PolarHBondContact OH-ND1 3.01Å; E721-H725 WeakPolarHBondContact O-CB 3.35Å; E721-H725 PolarHBondContact O-N 3.29Å; M722-H725 PolarHBondContact O-N 3.2Å; L723-H725 VanDerWaalsContact C-N 3.26Å; L723-H725 PolarHBondContact O-N 2.64Å; H725-S728 PolarHBondContact O-N 2.96Å; H725-V729 WeakPolarHBondContact O-CG2 3.32Å; H725-V729 PolarHBondContact O-N 2.69Å
726	L	95.3	Very high	89.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-42.2	178.3	-73.2	171.3	0	0	0	111.4	V680 V683 M684 M722 L723 S728 V729 L730 V737 V744 V746	V680-L726 HydrophobicContact CB-CD2 4.45Å; V680-L726 HydrophobicContact CG1-CD2 4.11Å; V680-L726 HydrophobicContact CG2-CD2 4.24Å; V683-L726 HydrophobicContact CB-CD2 3.91Å; V683-L726 HydrophobicContact CG1-CD2 3.73Å; V683-L726 HydrophobicContact CG1-CG 4.09Å; V683-L726 HydrophobicContact CG2-CD2 4.48Å; M684-L726 HydrophobicContact CE-CD1 3.97Å; M684-L726 HydrophobicContact CG-CD1 4.38Å; M722-L726 HydrophobicContact CG-CD1 3.7Å; M722-L726 HydrophobicContact CG-CG 4.06Å; M722-L726 VanDerWaalsContact O-CB 3.26Å; M722-L726 WeakPolarHBondContact O-CB 3.43Å; M722-L726 WeakPolarHBondContact O-CG 3.34Å; M722-L726 PolarHBondContact O-N 2.9Å; M722-L726 HydrophobicContact SD-CD1 4.25Å; L723-L726 PolarHBondContact O-N 3.12Å; L726-S728 VanDerWaalsContact C-N 3.29Å; L726-S728 PolarHBondContact O-N 3.36Å; L726-V729 PolarHBondContact O-N 2.83Å; L726-L730 HydrophobicContact CB-CD1 4.21Å; L726-L730 HydrophobicContact CD2-CD1 4.4Å; L726-L730 VanDerWaalsContact O-CB 3.25Å; L726-L730 WeakPolarHBondContact O-CB 3.42Å; L726-L730 WeakPolarHBondContact O-CD1 3.38Å; L726-L730 WeakPolarHBondContact O-CG 3.43Å; L726-L730 PolarHBondContact O-N 3.27Å; L726-V737 HydrophobicContact CB-CG1 4.18Å; L726-V737 HydrophobicContact CB-CG2 3.82Å; L726-V737 HydrophobicContact CD1-CG1 4.24Å; L726-V744 HydrophobicContact CD1-CG1 4.38Å; L726-V746 HydrophobicContact CD1-CG2 3.92Å
727	E	91.9	Very high	89.7	Confident	101 Å²	101	52.4 Å²	52.4	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-40.2	173.8	-74.3	-172.3	178.5	0	0	111.5	L723 A731 V737	L723-E727 HydrophobicContact CD1-CG 4.16Å; L723-E727 WeakPolarHBondContact O-CB 3.27Å; L723-E727 WeakPolarHBondContact O-CG 3.28Å; L723-E727 PolarHBondContact O-N 3.38Å; E727-A731 WeakPolarHBondContact O-CB 3.37Å; E727-A731 PolarHBondContact O-N 2.97Å; E727-V737 HydrophobicContact CG-CB 4.05Å; E727-V737 HydrophobicContact CG-CG2 3.93Å
728	S	90.1	Very high	89.9	Confident	95 Å²	95	54.7 Å²	54.7	66%	0.664	30%	0.299	S	S	*	.	H	α-helix	trans	-70.7	-30.4	176.7	-173.9	0	0	0	0	114.2	D724 H725 L726	D724-S728 WeakPolarHBondContact O-CB 3.38Å; D724-S728 PolarHBondContact O-N 3.43Å; D724-S728 VanDerWaalsContact O-N 3.13Å; H725-S728 PolarHBondContact O-N 2.96Å; L726-S728 VanDerWaalsContact C-N 3.29Å; L726-S728 PolarHBondContact O-N 3.36Å
729	V	91	Very high	89.6	Confident	59 Å²	59	56.1 Å²	56.1	36%	0.358	30%	0.303	S	S	.	.	H	α-helix	trans	-79.2	-38.3	177.9	166.7	0	0	0	0	111	M679 H725 L726	M679-V729 HydrophobicContact CB-CG1 4.46Å; H725-V729 WeakPolarHBondContact O-CG2 3.32Å; H725-V729 PolarHBondContact O-N 2.69Å; L726-V729 PolarHBondContact O-N 2.83Å
730	L	91.5	Very high	88.9	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.042	32%	0.318	C	S	.	.	S	Bend	trans	-95.5	8.7	-172.4	-56.9	167.7	0	0	0	113.5	V680 L726 N732 E733 V735 V737 V746	V680-L730 HydrophobicContact CG2-CD1 3.74Å; V680-L730 HydrophobicContact CG2-CD2 3.76Å; V680-L730 HydrophobicContact CG2-CG 4.28Å; L726-L730 HydrophobicContact CB-CD1 4.21Å; L726-L730 HydrophobicContact CD2-CD1 4.4Å; L726-L730 VanDerWaalsContact O-CB 3.25Å; L726-L730 WeakPolarHBondContact O-CB 3.42Å; L726-L730 WeakPolarHBondContact O-CD1 3.38Å; L726-L730 WeakPolarHBondContact O-CG 3.43Å; L726-L730 PolarHBondContact O-N 3.27Å; L730-N732 PolarHBondContact O-N 2.85Å; L730-E733 HydrophobicContact CB-CB 4.32Å; L730-E733 HydrophobicContact CD2-CB 4.35Å; L730-E733 HydrophobicContact CD2-CG 4.15Å; L730-E733 WeakPolarHBondContact O-CB 3.38Å; L730-E733 PolarHBondContact O-N 2.88Å; L730-V735 HydrophobicContact CB-CG2 3.77Å; L730-V735 HydrophobicContact CD1-CG2 3.82Å; L730-V735 HydrophobicContact CD2-CG2 4.04Å; L730-V735 HydrophobicContact CG-CG2 4.08Å; L730-V737 HydrophobicContact CD1-CG2 3.84Å; L730-V746 HydrophobicContact CD1-CG1 3.85Å; L730-V746 HydrophobicContact CD1-CG2 4.19Å
731	A	88	Confident	88.4	Confident	74 Å²	74	61 Å²	61	61%	0.612	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.2	-172.4	0	0	0	0	0	115.9	E727	E727-A731 WeakPolarHBondContact O-CB 3.37Å; E727-A731 PolarHBondContact O-N 2.97Å
732	N	86.7	Confident	88.1	Confident	158 Å²	158	60.1 Å²	60.1	85%	0.845	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-0.5	175.6	-57.1	-72.4	0	0	0	113.3	L730	L730-N732 PolarHBondContact O-N 2.85Å
733	E	88.4	Confident	87.8	Confident	68 Å²	68	62.1 Å²	62.1	32%	0.318	34%	0.341	S	S	.	.	S	Bend	trans	-91.1	151.7	-176	-67.2	-57.7	132.1	0	0	111.4	M679 L730 V735	M679-E733 HydrophobicContact CE-CG 3.8Å; L730-E733 HydrophobicContact CB-CB 4.32Å; L730-E733 HydrophobicContact CD2-CB 4.35Å; L730-E733 HydrophobicContact CD2-CG 4.15Å; L730-E733 WeakPolarHBondContact O-CB 3.38Å; L730-E733 PolarHBondContact O-N 2.88Å; E733-V735 HydrophobicContact CB-CG2 3.86Å; E733-V735 PolarHBondContact O-N 3.39Å
734	P	88.5	Confident	87.9	Confident	54 Å²	54	60.9 Å²	60.9	35%	0.351	34%	0.335	S	S	.	.	S	Bend	trans	-79.3	50.8	-179.5	35	-37.2	0	0	0	112	Q749	P734-Q749 PolarHBondContact O-N 2.87Å
735	V	89.9	Confident	88.1	Confident	13 Å²	13	57.2 Å²	57.2	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.5	-177.6	-60.6	0	0	0	0	111.4	W676 L730 E733 V746 K747	W676-V735 HydrophobicContact CB-CG1 4.24Å; W676-V735 HydrophobicContact CD2-CG1 3.64Å; W676-V735 HydrophobicContact CE3-CG1 4.18Å; W676-V735 HydrophobicContact CG-CG1 3.66Å; W676-V735 HydrophobicContact CZ2-CG1 4.44Å; L730-V735 HydrophobicContact CB-CG2 3.77Å; L730-V735 HydrophobicContact CD1-CG2 3.82Å; L730-V735 HydrophobicContact CD2-CG2 4.04Å; L730-V735 HydrophobicContact CG-CG2 4.08Å; E733-V735 HydrophobicContact CB-CG2 3.86Å; E733-V735 PolarHBondContact O-N 3.39Å; V735-V746 HydrophobicContact CB-CG1 4Å; V735-V746 HydrophobicContact CG2-CG1 4.07Å; V735-K747 CarbonylContact C-O 3.5Å; V735-K747 WeakPolarHBondContact CA-O 3.27Å; V735-K747 WeakPolarHBondContact CB-O 3.28Å
736	V	89.4	Confident	88	Confident	53 Å²	53	53.3 Å²	53.3	32%	0.321	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.4	175.2	-179.2	0	0	0	0	108.5	K738 K747 Q749	V736-K738 HydrophobicContact CG1-CG 4.08Å; V736-K747 PolarHBondContact N-O 2.96Å; V736-K747 PolarHBondContact O-N 2.95Å; V736-K747 VanDerWaalsContact O-N 3.13Å; V736-Q749 HydrophobicContact CG2-CB 4.09Å; V736-Q749 HydrophobicContact CG2-CG 3.99Å
737	V	91.2	Very high	87.7	Confident	13 Å²	13	53.8 Å²	53.8	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.6	166.9	-159.1	0	0	0	0	108	L723 L726 E727 L730 V744 E745 V746	L723-V737 HydrophobicContact CD1-CB 3.84Å; L723-V737 HydrophobicContact CD1-CG1 3.46Å; L723-V737 VanDerWaalsContact CD1-CG1 3.46Å; L726-V737 HydrophobicContact CB-CG1 4.18Å; L726-V737 HydrophobicContact CB-CG2 3.82Å; L726-V737 HydrophobicContact CD1-CG1 4.24Å; E727-V737 HydrophobicContact CG-CB 4.05Å; E727-V737 HydrophobicContact CG-CG2 3.93Å; L730-V737 HydrophobicContact CD1-CG2 3.84Å; V737-V744 HydrophobicContact CG1-CG1 3.69Å; V737-E745 CarbonylContact C-O 3.56Å; V737-E745 WeakPolarHBondContact CA-O 3.5Å; V737-V746 HydrophobicContact CG1-CG2 4.06Å; V737-V746 HydrophobicContact CG2-CG2 4.2Å
738	K	85.4	Confident	87.5	Confident	78 Å²	78	49.4 Å²	49.4	34%	0.339	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.8	170.8	-75.7	-159.9	174.3	-163.6	0	110	V736 E745 D785	V736-K738 HydrophobicContact CG1-CG 4.08Å; K738-E745 PolarHBondContact N-O 3.5Å; K738-E745 PolarHBondContact O-N 2.91Å; K738-D785 IonicContact NZ-OD1 2.73Å; K738-D785 PolarHBondContact NZ-OD1 2.67Å; K738-D785 IonicContact NZ-OD2 2.94Å; K738-D785 PolarHBondContact NZ-OD2 2.91Å
739	R	84.3	Confident	87.3	Confident	48 Å²	48	51.2 Å²	51.2	18%	0.181	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.9	167.1	-171.3	178.7	-173.7	-159.8	4.6	110.3	S716 L723 V744	S716-R739 PolarHBondContact O-NH2 3.22Å; S716-R739 PolarHBondContact OG-NH2 3.08Å; L723-R739 HydrophobicContact CD2-CB 4.2Å; R739-V744 HydrophobicContact CG-CG2 4.44Å
740	G	76.1	Confident	86.9	Confident	29 Å²	29	49.9 Å²	49.9	30%	0.299	28%	0.275	S	S	.	.			trans	-105.3	-166.8	172.7	0	0	0	0	0	112	H742 I743	G740-H742 PolarHBondContact O-N 2.85Å; G740-I743 PolarHBondContact N-O 3Å
741	Q	73.3	Confident	86.7	Confident	137 Å²	137	49.9 Å²	49.9	64%	0.64	28%	0.275	S	S	*	.	S	Bend	trans	-74.3	118.1	171.5	-175.6	161.7	-69.7	0	0	108.9	I743	Q741-I743 PolarHBondContact O-N 3.49Å; Q741-I743 VanDerWaalsContact O-N 3.08Å
742	H	82.2	Confident	86.7	Confident	79 Å²	79	47 Å²	47	37%	0.366	25%	0.251	S	S	.	.	S	Bend	trans	57.1	13.1	-174.5	-56.3	-71.9	0	0	0	117	H707 Q708 G740	H707-H742 PolarHBondContact CD2-O 3.4Å; H707-H742 PolarHBondContact N-O 2.79Å; Q708-H742 HydrophobicContact CB-CB 3.88Å; Q708-H742 HydrophobicContact CG-CB 4.4Å; G740-H742 PolarHBondContact O-N 2.85Å
743	I	89.3	Confident	86.9	Confident	43 Å²	43	39.5 Å²	39.5	22%	0.221	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.6	-176.9	66.8	173.2	0	0	0	113.9	V704 W705 H706 G740 Q741	V704-I743 HydrophobicContact CG1-CB 3.81Å; V704-I743 HydrophobicContact CG1-CD1 4.13Å; V704-I743 HydrophobicContact CG1-CG1 4.5Å; V704-I743 HydrophobicContact CG1-CG2 4.03Å; W705-I743 CarbonylContact O-C 3.25Å; W705-I743 VanDerWaalsContact O-CA 3.3Å; W705-I743 WeakPolarHBondContact O-CA 3.48Å; H706-I743 VanDerWaalsContact ND1-CG2 3.31Å; H706-I743 WeakPolarHBondContact ND1-CG2 3.33Å; G740-I743 PolarHBondContact N-O 3Å; Q741-I743 PolarHBondContact O-N 3.49Å; Q741-I743 VanDerWaalsContact O-N 3.08Å
744	V	91.9	Very high	87	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.8	160.7	-176.6	0	0	0	0	108.4	W705 A719 M722 L726 V737 R739	W705-V744 HydrophobicContact CE3-CG2 4.45Å; W705-V744 PolarHBondContact N-O 3.34Å; W705-V744 PolarHBondContact O-N 2.98Å; A719-V744 HydrophobicContact CB-CG2 3.84Å; A719-V744 WeakPolarHBondContact O-CG2 3.33Å; M722-V744 HydrophobicContact CE-CB 3.63Å; M722-V744 HydrophobicContact CE-CG1 4.03Å; M722-V744 HydrophobicContact CE-CG2 3.73Å; L726-V744 HydrophobicContact CD1-CG1 4.38Å; V737-V744 HydrophobicContact CG1-CG1 3.69Å; R739-V744 HydrophobicContact CG-CG2 4.44Å
745	E	91.9	Very high	87	Confident	10 Å²	10	36.3 Å²	36.3	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.4	-179.2	177.1	173.6	-115.2	0	0	110.6	H653 K699 A702 L703 V704 V737 K738 K747	H653-E745 IonicContact CD2-OE2 2.72Å; H653-E745 IonicContact NE2-OE1 3.16Å; H653-E745 IonicContact NE2-OE2 2.68Å; K699-E745 IonicContact NZ-OE1 4Å; K699-E745 PolarHBondContact NZ-OE1 2.66Å; A702-E745 HydrophobicContact CB-CG 4.11Å; L703-E745 CarbonylContact O-C 3.47Å; L703-E745 WeakPolarHBondContact O-CA 3.11Å; V704-E745 HydrophobicContact CG1-CB 4.45Å; V704-E745 HydrophobicContact CG2-CB 4.12Å; V704-E745 HydrophobicContact CG2-CG 3.9Å; V737-E745 CarbonylContact C-O 3.56Å; V737-E745 WeakPolarHBondContact CA-O 3.5Å; K738-E745 PolarHBondContact N-O 3.5Å; K738-E745 PolarHBondContact O-N 2.91Å; E745-K747 HydrophobicContact CG-CB 4.43Å; E745-K747 HydrophobicContact CG-CD 4.4Å; E745-K747 HydrophobicContact CG-CG 4.48Å; E745-K747 WeakPolarHBondContact OE2-CD 3.42Å; E745-K747 VanDerWaalsContact OE2-CE 3.26Å; E745-K747 WeakPolarHBondContact OE2-CE 3.27Å; E745-K747 IonicContact OE2-NZ 3.11Å; E745-K747 PolarHBondContact OE2-NZ 3.27Å
746	V	92.9	Very high	87.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.2	163	-174.7	0	0	0	0	108.7	W676 V680 M684 A702 L703 L726 L730 V735 V737	W676-V746 HydrophobicContact CE3-CG1 4Å; W676-V746 HydrophobicContact CH2-CG1 4.23Å; W676-V746 HydrophobicContact CZ3-CB 3.99Å; W676-V746 HydrophobicContact CZ3-CG1 3.58Å; V680-V746 HydrophobicContact CG1-CB 4.3Å; V680-V746 HydrophobicContact CG1-CG2 3.93Å; V680-V746 HydrophobicContact CG2-CB 4.48Å; V680-V746 HydrophobicContact CG2-CG1 4.15Å; V680-V746 HydrophobicContact CG2-CG2 4.29Å; M684-V746 HydrophobicContact CE-CG2 3.91Å; A702-V746 VanDerWaalsContact CA-O 3.3Å; A702-V746 WeakPolarHBondContact CA-O 3.23Å; A702-V746 WeakPolarHBondContact CB-O 3.18Å; L703-V746 PolarHBondContact N-O 3.05Å; L703-V746 PolarHBondContact O-N 3.16Å; L726-V746 HydrophobicContact CD1-CG2 3.92Å; L730-V746 HydrophobicContact CD1-CG1 3.85Å; L730-V746 HydrophobicContact CD1-CG2 4.19Å; V735-V746 HydrophobicContact CB-CG1 4Å; V735-V746 HydrophobicContact CG2-CG1 4.07Å; V737-V746 HydrophobicContact CG1-CG2 4.06Å; V737-V746 HydrophobicContact CG2-CG2 4.2Å
747	K	88.8	Confident	87.3	Confident	10 Å²	10	33.3 Å²	33.3	4%	0.043	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.2	177.3	62.8	-176.7	167.1	-151.6	0	112.3	H653 A702 V735 V736 E745	H653-K747 PolarHBondContact CD2-NZ 3Å; H653-K747 PolarHBondContact NE2-NZ 3.44Å; A702-K747 HydrophobicContact CB-CB 3.78Å; V735-K747 CarbonylContact C-O 3.5Å; V735-K747 WeakPolarHBondContact CA-O 3.27Å; V735-K747 WeakPolarHBondContact CB-O 3.28Å; V736-K747 PolarHBondContact N-O 2.96Å; V736-K747 PolarHBondContact O-N 2.95Å; V736-K747 VanDerWaalsContact O-N 3.13Å; E745-K747 HydrophobicContact CG-CB 4.43Å; E745-K747 HydrophobicContact CG-CD 4.4Å; E745-K747 HydrophobicContact CG-CG 4.48Å; E745-K747 WeakPolarHBondContact OE2-CD 3.42Å; E745-K747 VanDerWaalsContact OE2-CE 3.26Å; E745-K747 WeakPolarHBondContact OE2-CE 3.27Å; E745-K747 IonicContact OE2-NZ 3.11Å; E745-K747 PolarHBondContact OE2-NZ 3.27Å
748	P	87.7	Confident	87.3	Confident	8 Å²	8	35 Å²	35	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	144	-179.6	-24.4	34.7	0	0	0	113.2	W676 G750 V751	W676-P748 HydrophobicContact CZ2-CG 4.44Å; P748-G750 PolarHBondContact O-N 2.79Å; P748-V751 HydrophobicContact CB-CG2 3.95Å; P748-V751 HydrophobicContact CG-CG2 4.41Å; P748-V751 PolarHBondContact O-N 2.85Å
749	Q	85	Confident	87.5	Confident	133 Å²	133	33 Å²	33	62%	0.621	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	132.8	176.3	-170.4	179.7	44.2	0	0	109.7	P734 V736	P734-Q749 PolarHBondContact O-N 2.87Å; V736-Q749 HydrophobicContact CG2-CB 4.09Å; V736-Q749 HydrophobicContact CG2-CG 3.99Å
750	G	82.5	Confident	87.9	Confident	31 Å²	31	30.8 Å²	30.8	32%	0.32	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	0.6	-175.1	0	0	0	0	0	115.2	Y669 P748 L755	Y669-G750 WeakPolarHBondContact CE1-O 3.4Å; Y669-G750 PolarHBondContact OH-O 3.08Å; P748-G750 PolarHBondContact O-N 2.79Å; G750-L755 WeakPolarHBondContact O-CD1 3.5Å
751	V	86.6	Confident	88.6	Confident	8 Å²	8	29.6 Å²	29.6	5%	0.048	15%	0.151	C	C	.	.			trans	-95.7	111	173	-175.7	0	0	0	0	110.6	E652 H653 Y655 Y669 P748	E652-V751 WeakPolarHBondContact O-CG1 3.38Å; H653-V751 HydrophobicContact CB-CG1 4.22Å; Y655-V751 HydrophobicContact CD2-CG2 3.93Å; Y669-V751 HydrophobicContact CD2-CG2 4.04Å; Y669-V751 HydrophobicContact CE2-CG2 4.11Å; Y669-V751 HydrophobicContact CG-CG2 4.32Å; P748-V751 HydrophobicContact CB-CG2 3.95Å; P748-V751 HydrophobicContact CG-CG2 4.41Å; P748-V751 PolarHBondContact O-N 2.85Å
752	S	89	Confident	89.3	Confident	14 Å²	14	28.1 Å²	28.1	10%	0.098	14%	0.14	C	C	.	.			trans	-154.2	154.3	174.9	78.2	0	0	0	0	112.4	H653 G754 L755 A756	H653-S752 CarbonylContact O-C 3.59Å; H653-S752 PolarHBondContact O-N 2.94Å; H653-S752 VanDerWaalsContact O-O 3.05Å; S752-G754 PolarHBondContact O-N 2.95Å; S752-G754 VanDerWaalsContact O-N 3.1Å; S752-G754 PolarHBondContact OG-N 3.44Å; S752-L755 PolarHBondContact O-N 3.27Å; S752-L755 VanDerWaalsContact O-N 3.08Å; S752-L755 PolarHBondContact OG-N 2.95Å; S752-L755 VanDerWaalsContact OG-N 3.16Å; S752-A756 PolarHBondContact O-N 3Å
753	K	91.2	Very high	89.7	Confident	1 Å²	1	25.9 Å²	25.9	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-52.1	-34.9	174.8	-64.9	-172.4	174.6	165.3	0	112	D592 V629 H653 A756 A757 D780 S782 D783 M786	D592-K753 IonicContact OD1-NZ 3.6Å; D592-K753 IonicContact OD2-NZ 2.7Å; D592-K753 PolarHBondContact OD2-NZ 3.09Å; V629-K753 HydrophobicContact CG1-CB 3.72Å; V629-K753 HydrophobicContact CG1-CG 3.96Å; V629-K753 WeakPolarHBondContact O-CD 3.2Å; V629-K753 VanDerWaalsContact O-CE 3.3Å; V629-K753 WeakPolarHBondContact O-CE 3.39Å; H653-K753 HydrophobicContact CB-CG 4.44Å; H653-K753 PolarHBondContact O-N 2.94Å; K753-A756 WeakPolarHBondContact O-CB 3.21Å; K753-A757 PolarHBondContact O-N 2.85Å; K753-A757 VanDerWaalsContact O-N 3.1Å; K753-D780 IonicContact NZ-OD1 3.99Å; K753-D780 PolarHBondContact NZ-OD1 3.07Å; K753-D780 IonicContact NZ-OD2 2.7Å; K753-S782 WeakPolarHBondContact CD-OG 3.31Å; K753-S782 WeakPolarHBondContact CE-OG 3.33Å; K753-S782 PolarHBondContact NZ-OG 2.98Å; K753-D783 WeakPolarHBondContact CD-OD1 3.12Å; K753-D783 WeakPolarHBondContact CE-OD1 3.25Å; K753-D783 IonicContact NZ-OD1 3.27Å; K753-D783 PolarHBondContact NZ-OD1 3Å; K753-D783 IonicContact NZ-OD2 2.66Å; K753-D783 PolarHBondContact NZ-OD2 3.4Å; K753-M786 HydrophobicContact CB-CB 3.99Å
754	G	89.7	Confident	89.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-72	-40.7	177.8	0	0	0	0	0	115.1	S752 A756 A757 E758 S789	S752-G754 PolarHBondContact O-N 2.95Å; S752-G754 VanDerWaalsContact O-N 3.1Å; S752-G754 PolarHBondContact OG-N 3.44Å; G754-A756 VanDerWaalsContact C-N 3.28Å; G754-A756 PolarHBondContact O-N 2.93Å; G754-A757 PolarHBondContact O-N 3.31Å; G754-E758 WeakPolarHBondContact O-CB 3.5Å; G754-E758 PolarHBondContact O-N 2.92Å; G754-S789 VanDerWaalsContact C-CB 3.47Å; G754-S789 VanDerWaalsContact CA-CB 3.47Å; G754-S789 WeakPolarHBondContact CA-OG 3.05Å; G754-S789 WeakPolarHBondContact O-CB 3.09Å
755	L	89.4	Confident	89.6	Confident	55 Å²	55	26.8 Å²	26.8	29%	0.288	14%	0.137	S	C	.	.	H	α-helix	trans	-70.3	-29	175.1	-69.3	166.8	0	0	0	111.5	G750 S752 K759	G750-L755 WeakPolarHBondContact O-CD1 3.5Å; S752-L755 PolarHBondContact O-N 3.27Å; S752-L755 VanDerWaalsContact O-N 3.08Å; S752-L755 PolarHBondContact OG-N 2.95Å; S752-L755 VanDerWaalsContact OG-N 3.16Å; L755-K759 WeakPolarHBondContact O-CB 3.49Å; L755-K759 PolarHBondContact O-N 3.25Å
756	A	92	Very high	89.3	Confident	2 Å²	2	32.9 Å²	32.9	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-49.8	169.2	0	0	0	0	0	112	V629 A650 I657 S752 K753 G754 K759 V760	V629-A756 HydrophobicContact CG1-CB 4.1Å; A650-A756 HydrophobicContact CB-CB 4.07Å; I657-A756 HydrophobicContact CD1-CB 4.21Å; S752-A756 PolarHBondContact O-N 3Å; K753-A756 WeakPolarHBondContact O-CB 3.21Å; G754-A756 VanDerWaalsContact C-N 3.28Å; G754-A756 PolarHBondContact O-N 2.93Å; A756-K759 PolarHBondContact O-N 3.43Å; A756-V760 PolarHBondContact O-N 3.08Å; A756-V760 VanDerWaalsContact O-N 3.12Å
757	A	92.8	Very high	89.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-40.2	177.9	0	0	0	0	0	112.5	F590 K753 G754 V760 I761 M786 I790	F590-A757 HydrophobicContact CD1-CB 4.05Å; F590-A757 HydrophobicContact CD2-CB 4.31Å; F590-A757 HydrophobicContact CE1-CB 3.95Å; F590-A757 HydrophobicContact CE2-CB 4.21Å; F590-A757 HydrophobicContact CG-CB 4.23Å; F590-A757 HydrophobicContact CZ-CB 4.03Å; K753-A757 PolarHBondContact O-N 2.85Å; K753-A757 VanDerWaalsContact O-N 3.1Å; G754-A757 PolarHBondContact O-N 3.31Å; A757-V760 PolarHBondContact O-N 2.95Å; A757-I761 VanDerWaalsContact O-CG1 3.31Å; A757-I761 WeakPolarHBondContact O-CG1 3.46Å; A757-I761 PolarHBondContact O-N 3.49Å; A757-M786 HydrophobicContact CB-CG 4.22Å; A757-I790 HydrophobicContact CB-CD1 3.84Å; A757-I790 HydrophobicContact CB-CG1 3.86Å
758	E	90.9	Very high	88.8	Confident	49 Å²	49	41.5 Å²	41.5	23%	0.229	22%	0.216	C	C	.	.	H	α-helix	trans	-57	-49	172.1	-179.5	-164.5	121.5	0	0	111.2	G754 V760 I761 R762 T793	G754-E758 WeakPolarHBondContact O-CB 3.5Å; G754-E758 PolarHBondContact O-N 2.92Å; E758-V760 PolarHBondContact O-N 3.13Å; E758-I761 PolarHBondContact O-N 2.83Å; E758-R762 WeakPolarHBondContact O-CB 3.32Å; E758-R762 PolarHBondContact O-N 3.41Å; E758-R762 IonicContact OE1-CZ 3.29Å; E758-R762 IonicContact OE1-NH1 3.83Å; E758-R762 PolarHBondContact OE1-NH1 2.97Å; E758-R762 IonicContact OE1-NH2 3.69Å; E758-T793 HydrophobicContact CG-CG2 4.32Å
759	K	90.7	Very high	88.7	Confident	36 Å²	36	46.5 Å²	46.5	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-46.9	178.8	-179.5	-176.9	158.4	-174.8	0	111.3	I657 E666 C668 L755 A756 I761 R762 E763	I657-K759 HydrophobicContact CD1-CD 4.27Å; E666-K759 IonicContact OE2-NZ 2.93Å; E666-K759 PolarHBondContact OE2-NZ 3.44Å; C668-K759 HydrophobicContact CB-CD 4.4Å; C668-K759 PolarHBondContact SG-NZ 2.82Å; L755-K759 WeakPolarHBondContact O-CB 3.49Å; L755-K759 PolarHBondContact O-N 3.25Å; A756-K759 PolarHBondContact O-N 3.43Å; K759-I761 PolarHBondContact O-N 3.34Å; K759-R762 PolarHBondContact O-N 2.88Å; K759-E763 WeakPolarHBondContact CE-OE1 3.37Å; K759-E763 IonicContact NZ-OE1 3.97Å; K759-E763 PolarHBondContact O-N 3.32Å
760	V	91.5	Very high	88.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-44.9	178.3	171.6	0	0	0	0	111.2	F590 T625 F627 I657 W659 A756 A757 E758 E763 M764	F590-V760 HydrophobicContact CE1-CB 3.85Å; F590-V760 HydrophobicContact CE1-CG1 3.8Å; F590-V760 HydrophobicContact CE1-CG2 4.31Å; F590-V760 HydrophobicContact CZ-CB 3.95Å; F590-V760 HydrophobicContact CZ-CG1 3.79Å; T625-V760 HydrophobicContact CG2-CG1 4.37Å; F627-V760 HydrophobicContact CD1-CG2 4.3Å; F627-V760 HydrophobicContact CD2-CG1 3.76Å; F627-V760 HydrophobicContact CD2-CG2 4.24Å; F627-V760 HydrophobicContact CE1-CG2 4.03Å; F627-V760 HydrophobicContact CE2-CB 4.45Å; F627-V760 HydrophobicContact CE2-CG1 3.56Å; F627-V760 HydrophobicContact CE2-CG2 3.94Å; F627-V760 HydrophobicContact CG-CG2 4.4Å; F627-V760 HydrophobicContact CZ-CG1 4.25Å; F627-V760 HydrophobicContact CZ-CG2 3.83Å; I657-V760 HydrophobicContact CD1-CG2 4.48Å; W659-V760 HydrophobicContact CH2-CB 4.48Å; W659-V760 HydrophobicContact CH2-CG1 3.94Å; W659-V760 HydrophobicContact CZ3-CG1 4.21Å; A756-V760 PolarHBondContact O-N 3.08Å; A756-V760 VanDerWaalsContact O-N 3.12Å; A757-V760 PolarHBondContact O-N 2.95Å; E758-V760 PolarHBondContact O-N 3.13Å; V760-E763 PolarHBondContact O-N 3.36Å; V760-M764 HydrophobicContact CG1-SD 4.42Å; V760-M764 WeakPolarHBondContact O-CG 2.95Å; V760-M764 PolarHBondContact O-N 3.28Å
761	I	91.1	Very high	89.2	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-45.6	176.5	-68.9	167.4	0	0	0	110.8	F590 A757 E758 K759 M764 V765 P771 V774 I790 T793	F590-I761 HydrophobicContact CE2-CD1 4.02Å; F590-I761 HydrophobicContact CE2-CG1 3.99Å; F590-I761 HydrophobicContact CZ-CD1 4.4Å; F590-I761 HydrophobicContact CZ-CG1 3.99Å; A757-I761 VanDerWaalsContact O-CG1 3.31Å; A757-I761 WeakPolarHBondContact O-CG1 3.46Å; A757-I761 PolarHBondContact O-N 3.49Å; E758-I761 PolarHBondContact O-N 2.83Å; K759-I761 PolarHBondContact O-N 3.34Å; I761-M764 PolarHBondContact O-N 3.47Å; I761-V765 VanDerWaalsContact O-CG2 3.3Å; I761-V765 WeakPolarHBondContact O-CG2 3.49Å; I761-V765 PolarHBondContact O-N 3.26Å; I761-P771 HydrophobicContact CG2-CG 4.3Å; I761-V774 HydrophobicContact CD1-CG1 4.3Å; I761-V774 HydrophobicContact CD1-CG2 4.48Å; I761-I790 HydrophobicContact CD1-CG1 4.11Å; I761-T793 HydrophobicContact CB-CG2 4.43Å; I761-T793 HydrophobicContact CG2-CG2 3.9Å
762	R	89.4	Confident	89.5	Confident	107 Å²	107	42.4 Å²	42.4	40%	0.404	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-45.5	177.9	174.4	169.7	56.5	-113	-4.7	111.6	E758 K759 M764 V765 E766	E758-R762 WeakPolarHBondContact O-CB 3.32Å; E758-R762 PolarHBondContact O-N 3.41Å; E758-R762 IonicContact OE1-CZ 3.29Å; E758-R762 IonicContact OE1-NH1 3.83Å; E758-R762 PolarHBondContact OE1-NH1 2.97Å; E758-R762 IonicContact OE1-NH2 3.69Å; K759-R762 PolarHBondContact O-N 2.88Å; R762-M764 VanDerWaalsContact C-N 3.34Å; R762-M764 PolarHBondContact O-N 3.22Å; R762-V765 WeakPolarHBondContact O-CB 3.37Å; R762-V765 PolarHBondContact O-N 3.08Å; R762-V765 VanDerWaalsContact O-N 3.13Å; R762-E766 WeakPolarHBondContact CD-OE1 3.46Å; R762-E766 HydrophobicContact CG-CG 4.24Å; R762-E766 WeakPolarHBondContact CG-OE1 3.42Å; R762-E766 WeakPolarHBondContact O-CG 3.39Å; R762-E766 PolarHBondContact O-N 3.04Å
763	E	90	Very high	89.7	Confident	32 Å²	32	41.8 Å²	41.8	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-35.6	176.8	-82	-165.6	-119	0	0	113	W659 K759 V760 V765 E766 R767	W659-E763 HydrophobicContact CH2-CB 3.93Å; W659-E763 HydrophobicContact CZ2-CB 3.72Å; W659-E763 HydrophobicContact CZ2-CG 4.31Å; W659-E763 WeakPolarHBondContact CZ2-OE2 2.81Å; K759-E763 WeakPolarHBondContact CE-OE1 3.37Å; K759-E763 IonicContact NZ-OE1 3.97Å; K759-E763 PolarHBondContact O-N 3.32Å; V760-E763 PolarHBondContact O-N 3.36Å; E763-V765 VanDerWaalsContact C-N 3.32Å; E763-V765 PolarHBondContact O-N 3.41Å; E763-E766 PolarHBondContact O-N 3.26Å; E763-R767 VanDerWaalsContact O-CB 3.28Å; E763-R767 WeakPolarHBondContact O-CB 3.26Å; E763-R767 VanDerWaalsContact O-CD 3.32Å; E763-R767 WeakPolarHBondContact O-CD 3.42Å; E763-R767 WeakPolarHBondContact O-CG 3.37Å; E763-R767 PolarHBondContact O-N 3.5Å; E763-R767 IonicContact OE2-CZ 3.37Å; E763-R767 IonicContact OE2-NE 2.71Å; E763-R767 IonicContact OE2-NH2 3.16Å; E763-R767 PolarHBondContact OE2-NH2 2.92Å
764	M	89.9	Confident	89.9	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.034	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-41.3	171.3	-69.8	177.9	74.3	0	0	111.5	A588 T625 W659 V760 I761 R762 G768 E769 P771	A588-M764 HydrophobicContact CB-CE 4.44Å; A588-M764 HydrophobicContact CB-SD 4.03Å; T625-M764 HydrophobicContact CG2-CE 4.48Å; T625-M764 HydrophobicContact CG2-SD 3.94Å; W659-M764 HydrophobicContact CH2-CG 4.4Å; W659-M764 HydrophobicContact CZ3-CG 4.5Å; V760-M764 HydrophobicContact CG1-SD 4.42Å; V760-M764 WeakPolarHBondContact O-CG 2.95Å; V760-M764 PolarHBondContact O-N 3.28Å; I761-M764 PolarHBondContact O-N 3.47Å; R762-M764 VanDerWaalsContact C-N 3.34Å; R762-M764 PolarHBondContact O-N 3.22Å; M764-G768 PolarHBondContact O-N 3.12Å; M764-E769 CarbonylContact O-C 3.59Å; M764-E769 WeakPolarHBondContact O-CA 3.17Å; M764-E769 PolarHBondContact O-N 2.66Å; M764-P771 HydrophobicContact CE-CB 4.32Å
765	V	87.9	Confident	90.2	Very high	54 Å²	54	41.7 Å²	41.7	33%	0.327	21%	0.209	S	C	.	.	H	α-helix	trans	-65.1	-46.6	175.7	176.5	0	0	0	0	111.3	I761 R762 E763 R767 G768 P770 L799	I761-V765 VanDerWaalsContact O-CG2 3.3Å; I761-V765 WeakPolarHBondContact O-CG2 3.49Å; I761-V765 PolarHBondContact O-N 3.26Å; R762-V765 WeakPolarHBondContact O-CB 3.37Å; R762-V765 PolarHBondContact O-N 3.08Å; R762-V765 VanDerWaalsContact O-N 3.13Å; E763-V765 VanDerWaalsContact C-N 3.32Å; E763-V765 PolarHBondContact O-N 3.41Å; V765-R767 VanDerWaalsContact C-N 3.33Å; V765-R767 PolarHBondContact O-N 3.3Å; V765-G768 PolarHBondContact O-N 2.9Å; V765-P770 HydrophobicContact CG2-CB 3.96Å; V765-L799 HydrophobicContact CG1-CD2 4.32Å; V765-L799 HydrophobicContact CG2-CD2 3.67Å
766	E	87.4	Confident	90.5	Very high	139 Å²	139	39.1 Å²	39.1	65%	0.65	20%	0.195	S	C	*	.	H	α-helix	trans	-64.7	-33.8	179.3	-72.8	173.5	-173	0	0	112.9	R762 E763 G768	R762-E766 WeakPolarHBondContact CD-OE1 3.46Å; R762-E766 HydrophobicContact CG-CG 4.24Å; R762-E766 WeakPolarHBondContact CG-OE1 3.42Å; R762-E766 WeakPolarHBondContact O-CG 3.39Å; R762-E766 PolarHBondContact O-N 3.04Å; E763-E766 PolarHBondContact O-N 3.26Å; E766-G768 PolarHBondContact O-N 3.02Å
767	R	87	Confident	90.7	Very high	132 Å²	132	39 Å²	39	50%	0.498	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.4	172.5	-68.2	165.6	-170.1	-158.8	3.4	113.2	E763 V765	E763-R767 VanDerWaalsContact O-CB 3.28Å; E763-R767 WeakPolarHBondContact O-CB 3.26Å; E763-R767 VanDerWaalsContact O-CD 3.32Å; E763-R767 WeakPolarHBondContact O-CD 3.42Å; E763-R767 WeakPolarHBondContact O-CG 3.37Å; E763-R767 PolarHBondContact O-N 3.5Å; E763-R767 IonicContact OE2-CZ 3.37Å; E763-R767 IonicContact OE2-NE 2.71Å; E763-R767 IonicContact OE2-NH2 3.16Å; E763-R767 PolarHBondContact OE2-NH2 2.92Å; V765-R767 VanDerWaalsContact C-N 3.33Å; V765-R767 PolarHBondContact O-N 3.3Å
768	G	83.2	Confident	90.7	Very high	59 Å²	59	39 Å²	39	61%	0.608	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	11.9	-179.5	0	0	0	0	0	114.5	M764 V765 E766 P770	M764-G768 PolarHBondContact O-N 3.12Å; V765-G768 PolarHBondContact O-N 2.9Å; E766-G768 PolarHBondContact O-N 3.02Å; G768-P770 VanDerWaalsContact O-CD 3.24Å; G768-P770 WeakPolarHBondContact O-CD 3.31Å
769	E	85.5	Confident	90.7	Very high	113 Å²	113	38.2 Å²	38.2	53%	0.528	19%	0.192	S	C	.	.			trans	-118.6	52.7	-174.9	-66.6	-170.8	154.7	0	0	112.3	M764	M764-E769 CarbonylContact O-C 3.59Å; M764-E769 WeakPolarHBondContact O-CA 3.17Å; M764-E769 PolarHBondContact O-N 2.66Å
770	P	88.5	Confident	90.4	Very high	33 Å²	33	39.2 Å²	39.2	21%	0.214	20%	0.199	C	C	.	.			trans	-59.5	131.1	-176.2	26.9	-35.8	0	0	0	110.8	R586 V765 G768	R586-P770 PolarHBondContact NE-O 2.75Å; R586-P770 PolarHBondContact NH2-O 2.65Å; V765-P770 HydrophobicContact CG2-CB 3.96Å; G768-P770 VanDerWaalsContact O-CD 3.24Å; G768-P770 WeakPolarHBondContact O-CD 3.31Å
771	P	90.6	Very high	89.8	Confident	2 Å²	2	47 Å²	47	1%	0.013	23%	0.228	C	C	.	.			trans	-63.6	144.6	-176.4	24.8	-33.2	0	0	0	111.8	A588 I761 M764 V774 P803	A588-P771 HydrophobicContact CB-CB 4.21Å; I761-P771 HydrophobicContact CG2-CG 4.3Å; M764-P771 HydrophobicContact CE-CB 4.32Å; P771-V774 HydrophobicContact CB-CG2 4.13Å; P771-V774 HydrophobicContact CG-CG2 4.05Å; P771-P803 WeakPolarHBondContact O-CB 3.47Å
772	E	92.1	Very high	89.5	Confident	51 Å²	51	47.3 Å²	47.3	24%	0.238	23%	0.23	C	C	.	.	S	Bend	trans	-100.4	-14.4	174.8	-58.4	174	161.4	0	0	111.6	T584 Q585 R586 P803 E804	T584-E772 WeakPolarHBondContact CA-OE2 3.23Å; T584-E772 HydrophobicContact CG2-CB 3.57Å; Q585-E772 PolarHBondContact N-OE2 2.97Å; R586-E772 HydrophobicContact CB-CG 4.49Å; R586-E772 IonicContact CZ-OE1 2.83Å; R586-E772 IonicContact NH1-OE1 3.56Å; R586-E772 PolarHBondContact NH1-OE1 2.58Å; R586-E772 IonicContact NH2-OE1 3.77Å; R586-E772 PolarHBondContact NH2-OE1 3.05Å; R586-E772 PolarHBondContact O-N 2.85Å; E772-P803 VanDerWaalsContact O-CA 3.25Å; E772-P803 WeakPolarHBondContact O-CA 3.43Å; E772-E804 PolarHBondContact O-N 2.71Å; E772-E804 VanDerWaalsContact O-N 3.07Å
773	M	93.7	Very high	89.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.2	175	173.5	-179.4	165.4	0	0	108.6	I577 V580 Y581 T584 R586 R587 A588 M775 E804 F806	I577-M773 HydrophobicContact CD1-CE 3.59Å; I577-M773 HydrophobicContact CG1-CE 3.51Å; V580-M773 HydrophobicContact CG1-SD 4.26Å; Y581-M773 HydrophobicContact CD2-CE 4.13Å; Y581-M773 HydrophobicContact CD2-SD 4.17Å; T584-M773 HydrophobicContact CG2-CB 4.16Å; R586-M773 PolarHBondContact O-N 3.33Å; R587-M773 WeakPolarHBondContact CA-O 3.32Å; R587-M773 HydrophobicContact CG-CB 4.3Å; A588-M773 PolarHBondContact N-O 2.83Å; M773-M775 HydrophobicContact CE-CB 4.29Å; M773-E804 WeakPolarHBondContact CA-O 3.48Å; M773-F806 HydrophobicContact CE-CD2 3.82Å; M773-F806 HydrophobicContact CE-CE2 4.07Å; M773-F806 HydrophobicContact CG-CD2 4.03Å; M773-F806 HydrophobicContact CG-CE2 4.04Å; M773-F806 HydrophobicContact SD-CD2 4.46Å; M773-F806 HydrophobicContact SD-CE2 4.26Å
774	V	94.9	Very high	89.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.8	171.1	-174.9	0	0	0	0	108.6	A588 F590 I761 P771 I790 V794 P803 E804 V805 F806	A588-V774 HydrophobicContact CB-CG1 4.4Å; A588-V774 HydrophobicContact CB-CG2 4.33Å; A588-V774 WeakPolarHBondContact O-CA 3.33Å; F590-V774 HydrophobicContact CD2-CG1 4.1Å; F590-V774 HydrophobicContact CE2-CG1 3.99Å; I761-V774 HydrophobicContact CD1-CG1 4.3Å; I761-V774 HydrophobicContact CD1-CG2 4.48Å; P771-V774 HydrophobicContact CB-CG2 4.13Å; P771-V774 HydrophobicContact CG-CG2 4.05Å; V774-I790 HydrophobicContact CB-CG2 4.43Å; V774-I790 HydrophobicContact CG1-CD1 4.4Å; V774-I790 HydrophobicContact CG1-CG2 3.74Å; V774-V794 HydrophobicContact CG2-CG2 4.22Å; V774-P803 HydrophobicContact CG2-CB 4.04Å; V774-P803 HydrophobicContact CG2-CG 3.96Å; V774-E804 PolarHBondContact N-O 3.3Å; V774-V805 CarbonylContact O-C 3.54Å; V774-V805 WeakPolarHBondContact O-CA 3.32Å; V774-F806 PolarHBondContact O-N 3.13Å
775	M	95.4	Very high	89.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.5	168.8	-175	173	69.7	0	0	108.9	I577 A588 I589 F590 M773 I777 F806 L830 L831 L834	I577-M775 HydrophobicContact CD1-CG 4.3Å; I577-M775 HydrophobicContact CD1-SD 3.47Å; I577-M775 WeakPolarHBondContact CD1-SD 3.42Å; A588-M775 PolarHBondContact O-N 3.42Å; I589-M775 CarbonylContact C-O 3.2Å; I589-M775 WeakPolarHBondContact CA-O 3.24Å; I589-M775 HydrophobicContact CB-CE 4.44Å; I589-M775 HydrophobicContact CD1-CE 4.2Å; I589-M775 HydrophobicContact CG1-CB 4.45Å; I589-M775 HydrophobicContact CG1-CE 4.18Å; I589-M775 HydrophobicContact CG2-CE 3.54Å; F590-M775 PolarHBondContact N-O 2.87Å; M773-M775 HydrophobicContact CE-CB 4.29Å; M775-I777 HydrophobicContact CE-CD1 4.19Å; M775-I777 HydrophobicContact CG-CG1 4.15Å; M775-I777 HydrophobicContact SD-CD1 4.1Å; M775-I777 HydrophobicContact SD-CG1 4.39Å; M775-F806 HydrophobicContact CB-CB 4.22Å; M775-F806 HydrophobicContact CG-CB 4.07Å; M775-L830 HydrophobicContact SD-CD2 4.31Å; M775-L831 HydrophobicContact CE-CD2 3.62Å; M775-L834 HydrophobicContact CE-CD1 3.68Å; M775-L834 HydrophobicContact SD-CD1 3.97Å
776	C	95.8	Very high	89.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.4	169.8	54	0	0	0	0	110	F590 M786 I790 F806 A807 C808	F590-C776 HydrophobicContact CB-CB 4.01Å; F590-C776 CarbonylContact O-C 3.42Å; F590-C776 VanDerWaalsContact O-CA 3.25Å; F590-C776 WeakPolarHBondContact O-CA 3.48Å; C776-M786 HydrophobicContact CB-CE 4.29Å; C776-M786 HydrophobicContact CB-SD 4.4Å; C776-I790 HydrophobicContact CB-CD1 3.49Å; C776-I790 VanDerWaalsContact CB-CD1 3.49Å; C776-I790 VanDerWaalsContact SG-CD1 3.55Å; C776-F806 PolarHBondContact N-O 2.85Å; C776-F806 VanDerWaalsContact N-O 3.09Å; C776-A807 WeakPolarHBondContact SG-CA 3.41Å; C776-A807 VanDerWaalsContact SG-CB 3.53Å; C776-C808 PolarHBondContact O-N 3.49Å
777	I	96.5	Very high	89.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.8	177.9	-43.6	-177.9	0	0	0	108.2	F590 L591 D592 T596 M775 C808 V810 L821 V827 L830 L831	F590-I777 PolarHBondContact O-N 3.4Å; L591-I777 CarbonylContact C-O 3.39Å; L591-I777 WeakPolarHBondContact CA-O 3.34Å; L591-I777 HydrophobicContact CD2-CB 3.81Å; L591-I777 HydrophobicContact CD2-CD1 3.76Å; L591-I777 HydrophobicContact CD2-CG1 3.76Å; D592-I777 PolarHBondContact N-O 3.36Å; T596-I777 HydrophobicContact CG2-CB 4.23Å; T596-I777 HydrophobicContact CG2-CG2 3.79Å; M775-I777 HydrophobicContact CE-CD1 4.19Å; M775-I777 HydrophobicContact CG-CG1 4.15Å; M775-I777 HydrophobicContact SD-CD1 4.1Å; M775-I777 HydrophobicContact SD-CG1 4.39Å; I777-C808 WeakPolarHBondContact CA-O 3.48Å; I777-C808 HydrophobicContact CG1-CB 4.34Å; I777-V810 HydrophobicContact CG2-CG2 3.81Å; I777-L821 HydrophobicContact CD1-CD1 4.11Å; I777-L821 HydrophobicContact CG2-CD1 4.2Å; I777-V827 HydrophobicContact CD1-CG1 4.15Å; I777-V827 HydrophobicContact CG2-CG1 4.35Å; I777-V827 HydrophobicContact CG2-CG2 4.23Å; I777-L830 HydrophobicContact CD1-CD2 4.07Å; I777-L831 HydrophobicContact CD1-CD2 4.24Å
778	G	93.7	Very high	89.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-178.9	178.3	0	0	0	0	0	109.7	T596 D783 C808 T809 V810	T596-G778 VanDerWaalsContact OG1-C 3.31Å; T596-G778 WeakPolarHBondContact OG1-CA 3.36Å; G778-D783 VanDerWaalsContact CA-CG 3.46Å; G778-D783 WeakPolarHBondContact CA-OD2 3.4Å; G778-C808 PolarHBondContact N-O 2.81Å; G778-T809 CarbonylContact O-C 3.59Å; G778-T809 VanDerWaalsContact O-CA 3.23Å; G778-T809 WeakPolarHBondContact O-CA 3.43Å; G778-V810 PolarHBondContact O-N 3.32Å
779	D	89.3	Confident	90.1	Very high	33 Å²	33	30.9 Å²	30.9	18%	0.176	15%	0.148	C	C	.	.			trans	-153.3	-15.9	-175.7	93.8	-92.6	0	0	0	115.2	G595 T596 D783 V810 K813	G595-D779 WeakPolarHBondContact CA-OD1 3.26Å; T596-D779 PolarHBondContact N-OD1 3.39Å; T596-D779 PolarHBondContact OG1-N 3.21Å; T596-D779 PolarHBondContact OG1-OD1 3.2Å; D779-D783 PolarHBondContact N-OD2 2.84Å; D779-V810 HydrophobicContact CB-CB 3.68Å; D779-V810 HydrophobicContact CB-CG2 4.1Å; D779-K813 VanDerWaalsContact CB-NZ 3.26Å; D779-K813 WeakPolarHBondContact O-CE 3.34Å; D779-K813 PolarHBondContact O-NZ 2.7Å; D779-K813 IonicContact OD2-NZ 2.72Å; D779-K813 PolarHBondContact OD2-NZ 3.1Å
780	D	85.3	Confident	90.3	Very high	57 Å²	57	25.5 Å²	25.5	31%	0.305	12%	0.122	S	C	.	.	S	Bend	trans	-85.8	178.9	-178.9	95.8	-37.8	0	0	0	113.3	K753 S782 D783	K753-D780 IonicContact NZ-OD1 3.99Å; K753-D780 PolarHBondContact NZ-OD1 3.07Å; K753-D780 IonicContact NZ-OD2 2.7Å; D780-S782 PolarHBondContact O-N 2.87Å; D780-S782 VanDerWaalsContact OD1-CA 3.28Å; D780-S782 WeakPolarHBondContact OD1-CA 3.25Å; D780-S782 WeakPolarHBondContact OD1-CB 3.45Å; D780-S782 PolarHBondContact OD1-N 2.88Å; D780-S782 PolarHBondContact OD1-OG 3.06Å; D780-S782 WeakPolarHBondContact OD2-CB 3.4Å; D780-S782 PolarHBondContact OD2-N 2.96Å; D780-S782 PolarHBondContact OD2-OG 2.99Å; D780-D783 PolarHBondContact N-OD2 3.26Å; D780-D783 PolarHBondContact O-N 3.31Å; D780-D783 PolarHBondContact OD1-N 3.49Å; D780-D783 VanDerWaalsContact OD1-OD2 3.04Å
781	R	79.2	Confident	90.2	Very high	164 Å²	164	27.2 Å²	27.2	62%	0.619	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.1	176.1	-172.1	175.2	-180	168.6	3.7	113	D278	D278-R781 IonicContact OD2-NH1 2.77Å
782	S	83.7	Confident	89.9	Confident	10 Å²	10	30.4 Å²	30.4	7%	0.07	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-18.9	175.6	72.2	0	0	0	0	113.6	H653 K753 D780 E784 D785 M786	H653-S782 PolarHBondContact CE1-OG 3.41Å; K753-S782 WeakPolarHBondContact CD-OG 3.31Å; K753-S782 WeakPolarHBondContact CE-OG 3.33Å; K753-S782 PolarHBondContact NZ-OG 2.98Å; D780-S782 PolarHBondContact O-N 2.87Å; D780-S782 VanDerWaalsContact OD1-CA 3.28Å; D780-S782 WeakPolarHBondContact OD1-CA 3.25Å; D780-S782 WeakPolarHBondContact OD1-CB 3.45Å; D780-S782 PolarHBondContact OD1-N 2.88Å; D780-S782 PolarHBondContact OD1-OG 3.06Å; D780-S782 WeakPolarHBondContact OD2-CB 3.4Å; D780-S782 PolarHBondContact OD2-N 2.96Å; D780-S782 PolarHBondContact OD2-OG 2.99Å; S782-E784 VanDerWaalsContact C-N 3.28Å; S782-D785 WeakPolarHBondContact O-CB 3.34Å; S782-D785 PolarHBondContact O-N 2.96Å; S782-M786 PolarHBondContact O-N 2.99Å
783	D	90.5	Very high	89.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-26.6	167.6	-65.7	-49.2	0	0	0	112.5	K753 G778 D779 D780 D785 M786 F787	K753-D783 WeakPolarHBondContact CD-OD1 3.12Å; K753-D783 WeakPolarHBondContact CE-OD1 3.25Å; K753-D783 IonicContact NZ-OD1 3.27Å; K753-D783 PolarHBondContact NZ-OD1 3Å; K753-D783 IonicContact NZ-OD2 2.66Å; K753-D783 PolarHBondContact NZ-OD2 3.4Å; G778-D783 VanDerWaalsContact CA-CG 3.46Å; G778-D783 WeakPolarHBondContact CA-OD2 3.4Å; D779-D783 PolarHBondContact N-OD2 2.84Å; D780-D783 PolarHBondContact N-OD2 3.26Å; D780-D783 PolarHBondContact O-N 3.31Å; D780-D783 PolarHBondContact OD1-N 3.49Å; D780-D783 VanDerWaalsContact OD1-OD2 3.04Å; D783-D785 PolarHBondContact O-N 2.98Å; D783-M786 HydrophobicContact CB-CE 4.34Å; D783-M786 CarbonylContact O-C 3.58Å; D783-M786 WeakPolarHBondContact O-CA 3.17Å; D783-M786 WeakPolarHBondContact O-CB 3.37Å; D783-M786 PolarHBondContact O-N 3.07Å; D783-M786 VanDerWaalsContact OD1-CE 3.26Å; D783-M786 WeakPolarHBondContact OD1-CE 3.18Å; D783-F787 HydrophobicContact CB-CE2 3.99Å; D783-F787 HydrophobicContact CB-CZ 3.91Å; D783-F787 VanDerWaalsContact O-CD2 3.27Å; D783-F787 WeakPolarHBondContact O-CD2 3.34Å; D783-F787 VanDerWaalsContact O-CG 3.28Å; D783-F787 WeakPolarHBondContact O-CG 3.35Å; D783-F787 PolarHBondContact O-N 2.98Å
784	E	88.3	Confident	88.5	Confident	31 Å²	31	29.6 Å²	29.6	15%	0.145	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-24.4	169.8	-63.6	-61	138.3	0	0	112.9	S782 F787 S815 K816	S782-E784 VanDerWaalsContact C-N 3.28Å; E784-F787 WeakPolarHBondContact OE1-CE2 3.43Å; E784-S815 WeakPolarHBondContact OE1-CA 3.45Å; E784-S815 WeakPolarHBondContact OE1-CB 3.34Å; E784-S815 PolarHBondContact OE1-OG 3.1Å; E784-S815 WeakPolarHBondContact OE2-CA 3.5Å; E784-S815 PolarHBondContact OE2-OG 3.5Å; E784-K816 WeakPolarHBondContact O-CD 3.25Å; E784-K816 WeakPolarHBondContact O-CE 3.49Å; E784-K816 PolarHBondContact O-NZ 3.36Å; E784-K816 WeakPolarHBondContact OE2-CB 3.43Å; E784-K816 VanDerWaalsContact OE2-CG 3.32Å; E784-K816 WeakPolarHBondContact OE2-CG 3.41Å; E784-K816 PolarHBondContact OE2-N 2.81Å
785	D	87.5	Confident	87.3	Confident	34 Å²	34	33.8 Å²	33.8	18%	0.182	18%	0.176	C	C	.	.	H	α-helix	trans	-74.7	-34.6	167.8	-59.3	-25.6	0	0	0	110.3	K738 S782 D783 S789	K738-D785 IonicContact NZ-OD1 2.73Å; K738-D785 PolarHBondContact NZ-OD1 2.67Å; K738-D785 IonicContact NZ-OD2 2.94Å; K738-D785 PolarHBondContact NZ-OD2 2.91Å; S782-D785 WeakPolarHBondContact O-CB 3.34Å; S782-D785 PolarHBondContact O-N 2.96Å; D783-D785 PolarHBondContact O-N 2.98Å; D785-S789 WeakPolarHBondContact O-CB 3.3Å; D785-S789 PolarHBondContact O-N 3.14Å; D785-S789 PolarHBondContact O-OG 3.27Å
786	M	90.6	Very high	86.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.6	-46.5	178.5	-178.4	172.8	59.5	0	0	113.1	F590 V629 K753 A757 C776 S782 D783 E788 S789 I790	F590-M786 HydrophobicContact CB-SD 3.93Å; V629-M786 HydrophobicContact CB-SD 4.32Å; V629-M786 HydrophobicContact CG1-SD 4.45Å; V629-M786 HydrophobicContact CG2-SD 4.44Å; K753-M786 HydrophobicContact CB-CB 3.99Å; A757-M786 HydrophobicContact CB-CG 4.22Å; C776-M786 HydrophobicContact CB-CE 4.29Å; C776-M786 HydrophobicContact CB-SD 4.4Å; S782-M786 PolarHBondContact O-N 2.99Å; D783-M786 HydrophobicContact CB-CE 4.34Å; D783-M786 CarbonylContact O-C 3.58Å; D783-M786 WeakPolarHBondContact O-CA 3.17Å; D783-M786 WeakPolarHBondContact O-CB 3.37Å; D783-M786 PolarHBondContact O-N 3.07Å; D783-M786 VanDerWaalsContact OD1-CE 3.26Å; D783-M786 WeakPolarHBondContact OD1-CE 3.18Å; M786-E788 VanDerWaalsContact C-N 3.28Å; M786-E788 PolarHBondContact O-N 3.32Å; M786-S789 PolarHBondContact O-N 2.82Å; M786-I790 HydrophobicContact CG-CD1 3.71Å; M786-I790 HydrophobicContact CG-CG1 4.47Å; M786-I790 WeakPolarHBondContact O-CB 3.26Å; M786-I790 WeakPolarHBondContact O-CG1 3.47Å; M786-I790 PolarHBondContact O-N 3.24Å; M786-I790 HydrophobicContact SD-CD1 4.5Å
787	F	92.4	Very high	84.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-39.9	176.6	-55.5	-36.8	0	0	0	111.4	D783 E784 L791 A807 C808 K816 A817	D783-F787 HydrophobicContact CB-CE2 3.99Å; D783-F787 HydrophobicContact CB-CZ 3.91Å; D783-F787 VanDerWaalsContact O-CD2 3.27Å; D783-F787 WeakPolarHBondContact O-CD2 3.34Å; D783-F787 VanDerWaalsContact O-CG 3.28Å; D783-F787 WeakPolarHBondContact O-CG 3.35Å; D783-F787 PolarHBondContact O-N 2.98Å; E784-F787 WeakPolarHBondContact OE1-CE2 3.43Å; F787-L791 WeakPolarHBondContact O-CB 3.3Å; F787-L791 WeakPolarHBondContact O-CD1 3.34Å; F787-L791 WeakPolarHBondContact O-CG 3.43Å; F787-L791 PolarHBondContact O-N 3.05Å; F787-L791 VanDerWaalsContact O-N 3.08Å; F787-A807 HydrophobicContact CD1-CB 4.03Å; F787-A807 HydrophobicContact CG-CB 4.49Å; F787-C808 WeakPolarHBondContact CE1-O 3.36Å; F787-C808 VanDerWaalsContact CZ-O 3.28Å; F787-C808 WeakPolarHBondContact CZ-O 3.5Å; F787-K816 HydrophobicContact CB-CB 4.22Å; F787-A817 HydrophobicContact CD1-CB 4.49Å; F787-A817 HydrophobicContact CD2-CB 3.88Å; F787-A817 HydrophobicContact CE2-CB 3.93Å; F787-A817 HydrophobicContact CG-CB 4.19Å; F787-A817 HydrophobicContact CZ-CB 4.26Å
788	E	90	Very high	82.9	Confident	102 Å²	102	50.1 Å²	50.1	48%	0.477	27%	0.265	S	S	.	.	H	α-helix	trans	-70.7	-44.9	178.5	-169.5	159.5	-101.7	0	0	113.2	M786 I790 L791 S792 K816	M786-E788 VanDerWaalsContact C-N 3.28Å; M786-E788 PolarHBondContact O-N 3.32Å; E788-I790 PolarHBondContact O-N 3.21Å; E788-L791 PolarHBondContact O-N 2.94Å; E788-S792 WeakPolarHBondContact O-CB 3.41Å; E788-S792 PolarHBondContact O-N 2.85Å; E788-S792 PolarHBondContact O-OG 2.91Å; E788-K816 HydrophobicContact CB-CD 3.78Å; E788-K816 HydrophobicContact CG-CD 4.28Å; E788-K816 WeakPolarHBondContact OE1-CD 3.4Å; E788-K816 WeakPolarHBondContact OE1-CE 3.42Å; E788-K816 IonicContact OE1-NZ 2.64Å; E788-K816 PolarHBondContact OE1-NZ 3.22Å; E788-K816 VanDerWaalsContact OE1-NZ 3.11Å; E788-K816 IonicContact OE2-NZ 2.79Å; E788-K816 PolarHBondContact OE2-NZ 3.17Å
789	S	89	Confident	81.6	Confident	19 Å²	19	51.4 Å²	51.4	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-39.6	178.9	-56.4	0	0	0	0	111.4	G754 D785 M786 S792 T793	G754-S789 VanDerWaalsContact C-CB 3.47Å; G754-S789 VanDerWaalsContact CA-CB 3.47Å; G754-S789 WeakPolarHBondContact CA-OG 3.05Å; G754-S789 WeakPolarHBondContact O-CB 3.09Å; D785-S789 WeakPolarHBondContact O-CB 3.3Å; D785-S789 PolarHBondContact O-N 3.14Å; D785-S789 PolarHBondContact O-OG 3.27Å; M786-S789 PolarHBondContact O-N 2.82Å; S789-S792 WeakPolarHBondContact CA-OG 3.34Å; S789-S792 PolarHBondContact O-OG 3.3Å; S789-S792 VanDerWaalsContact O-OG 3.08Å; S789-T793 VanDerWaalsContact O-CB 3.23Å; S789-T793 WeakPolarHBondContact O-CB 3.3Å; S789-T793 PolarHBondContact O-N 3.44Å; S789-T793 PolarHBondContact O-OG1 2.84Å
790	I	89.2	Confident	80.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-44.3	175.2	-69.9	170.8	0	0	0	111	F590 A757 I761 V774 C776 M786 E788 S792 V794 V805	F590-I790 HydrophobicContact CD2-CD1 3.81Å; F590-I790 HydrophobicContact CE2-CD1 4.29Å; F590-I790 HydrophobicContact CG-CD1 4.44Å; A757-I790 HydrophobicContact CB-CD1 3.84Å; A757-I790 HydrophobicContact CB-CG1 3.86Å; I761-I790 HydrophobicContact CD1-CG1 4.11Å; V774-I790 HydrophobicContact CB-CG2 4.43Å; V774-I790 HydrophobicContact CG1-CD1 4.4Å; V774-I790 HydrophobicContact CG1-CG2 3.74Å; C776-I790 HydrophobicContact CB-CD1 3.49Å; C776-I790 VanDerWaalsContact CB-CD1 3.49Å; C776-I790 VanDerWaalsContact SG-CD1 3.55Å; M786-I790 HydrophobicContact CG-CD1 3.71Å; M786-I790 HydrophobicContact CG-CG1 4.47Å; M786-I790 WeakPolarHBondContact O-CB 3.26Å; M786-I790 WeakPolarHBondContact O-CG1 3.47Å; M786-I790 PolarHBondContact O-N 3.24Å; M786-I790 HydrophobicContact SD-CD1 4.5Å; E788-I790 PolarHBondContact O-N 3.21Å; I790-S792 PolarHBondContact O-N 2.85Å; I790-V794 HydrophobicContact CG2-CG2 4.35Å; I790-V794 VanDerWaalsContact O-CB 3.3Å; I790-V794 WeakPolarHBondContact O-CB 3.49Å; I790-V794 VanDerWaalsContact O-CG2 3.3Å; I790-V794 WeakPolarHBondContact O-CG2 3.4Å; I790-V794 PolarHBondContact O-N 3.41Å; I790-V805 HydrophobicContact CG2-CG1 4.08Å
791	L	86.2	Confident	79.6	Confident	69 Å²	69	58.9 Å²	58.9	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-41.9	177.7	-83	164.6	0	0	0	112.8	F787 E788 T795	F787-L791 WeakPolarHBondContact O-CB 3.3Å; F787-L791 WeakPolarHBondContact O-CD1 3.34Å; F787-L791 WeakPolarHBondContact O-CG 3.43Å; F787-L791 PolarHBondContact O-N 3.05Å; F787-L791 VanDerWaalsContact O-N 3.08Å; E788-L791 PolarHBondContact O-N 2.94Å; L791-T795 WeakPolarHBondContact O-CB 3.4Å; L791-T795 WeakPolarHBondContact O-CG2 3.33Å; L791-T795 PolarHBondContact O-N 2.84Å; L791-T795 PolarHBondContact O-OG1 3.48Å
792	S	84.7	Confident	79.6	Confident	69 Å²	69	57.6 Å²	57.6	48%	0.483	31%	0.314	S	S	.	.	H	α-helix	trans	-71.6	-41.5	177.8	52.1	0	0	0	0	112.7	E788 S789 I790 T795 N796	E788-S792 WeakPolarHBondContact O-CB 3.41Å; E788-S792 PolarHBondContact O-N 2.85Å; E788-S792 PolarHBondContact O-OG 2.91Å; S789-S792 WeakPolarHBondContact CA-OG 3.34Å; S789-S792 PolarHBondContact O-OG 3.3Å; S789-S792 VanDerWaalsContact O-OG 3.08Å; I790-S792 PolarHBondContact O-N 2.85Å; S792-T795 PolarHBondContact O-N 3.01Å; S792-T795 PolarHBondContact O-OG1 3.13Å; S792-N796 PolarHBondContact O-N 2.84Å
793	T	79.9	Confident	79.7	Confident	27 Å²	27	57.6 Å²	57.6	17%	0.166	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-47.7	176.2	-56.5	0	0	0	0	111.4	E758 I761 S789 T795 N796 L799	E758-T793 HydrophobicContact CG-CG2 4.32Å; I761-T793 HydrophobicContact CB-CG2 4.43Å; I761-T793 HydrophobicContact CG2-CG2 3.9Å; S789-T793 VanDerWaalsContact O-CB 3.23Å; S789-T793 WeakPolarHBondContact O-CB 3.3Å; S789-T793 PolarHBondContact O-N 3.44Å; S789-T793 PolarHBondContact O-OG1 2.84Å; T793-T795 VanDerWaalsContact C-N 3.3Å; T793-T795 PolarHBondContact O-N 2.91Å; T793-N796 WeakPolarHBondContact O-CB 2.98Å; T793-N796 PolarHBondContact O-N 3.28Å; T793-L799 WeakPolarHBondContact O-CD1 3.5Å
794	V	75.9	Confident	79.7	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-69.4	-26	-178.2	166.9	0	0	0	0	113	V774 I790 P803 V805	V774-V794 HydrophobicContact CG2-CG2 4.22Å; I790-V794 HydrophobicContact CG2-CG2 4.35Å; I790-V794 VanDerWaalsContact O-CB 3.3Å; I790-V794 WeakPolarHBondContact O-CB 3.49Å; I790-V794 VanDerWaalsContact O-CG2 3.3Å; I790-V794 WeakPolarHBondContact O-CG2 3.4Å; I790-V794 PolarHBondContact O-N 3.41Å; V794-P803 HydrophobicContact CB-CG 4.34Å; V794-P803 HydrophobicContact CG1-CG 3.67Å; V794-P803 HydrophobicContact CG2-CG 3.78Å; V794-V805 HydrophobicContact CB-CG2 4.07Å; V794-V805 HydrophobicContact CG1-CG2 3.59Å; V794-V805 HydrophobicContact CG2-CG2 4.06Å
795	T	70.9	Confident	79.8	Confident	88 Å²	88	61.3 Å²	61.3	54%	0.54	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	0.4	177.7	52.1	0	0	0	0	114.1	L791 S792 T793 P797	L791-T795 WeakPolarHBondContact O-CB 3.4Å; L791-T795 WeakPolarHBondContact O-CG2 3.33Å; L791-T795 PolarHBondContact O-N 2.84Å; L791-T795 PolarHBondContact O-OG1 3.48Å; S792-T795 PolarHBondContact O-N 3.01Å; S792-T795 PolarHBondContact O-OG1 3.13Å; T793-T795 VanDerWaalsContact C-N 3.3Å; T793-T795 PolarHBondContact O-N 2.91Å; T795-P797 WeakPolarHBondContact O-CD 3.49Å
796	N	70.5	Confident	80.1	Confident	61 Å²	61	59.7 Å²	59.7	33%	0.326	32%	0.324	S	S	.	.			trans	-62.1	120.8	171	-178.7	-2.1	0	0	0	110.3	S792 T793 E798 L799	S792-N796 PolarHBondContact O-N 2.84Å; T793-N796 WeakPolarHBondContact O-CB 2.98Å; T793-N796 PolarHBondContact O-N 3.28Å; N796-E798 PolarHBondContact ND2-OE2 3.49Å; N796-E798 PolarHBondContact O-N 3.47Å; N796-E798 WeakPolarHBondContact OD1-CG 3.46Å; N796-E798 PolarHBondContact OD1-N 3.44Å; N796-E798 VanDerWaalsContact OD1-N 3.09Å; N796-L799 PolarHBondContact O-N 3.16Å; N796-L799 VanDerWaalsContact O-N 3.16Å
797	P	60.7	Low	80.3	Confident	120 Å²	120	59.8 Å²	59.8	78%	0.779	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.9	-179.4	27.6	-37.2	0	0	0	115.2	T795 L799	T795-P797 WeakPolarHBondContact O-CD 3.49Å; P797-L799 PolarHBondContact O-N 3.09Å
798	E	63.9	Low	80.3	Confident	162 Å²	162	59.8 Å²	59.8	76%	0.757	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.4	171.9	-64.1	175.3	143.5	0	0	113.1	N796 L800	N796-E798 PolarHBondContact ND2-OE2 3.49Å; N796-E798 PolarHBondContact O-N 3.47Å; N796-E798 WeakPolarHBondContact OD1-CG 3.46Å; N796-E798 PolarHBondContact OD1-N 3.44Å; N796-E798 VanDerWaalsContact OD1-N 3.09Å; E798-L800 PolarHBondContact O-N 3.06Å
799	L	65.5	Low	80.5	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.141	30%	0.302	C	S	.	.			trans	-75.5	113	174.6	-73.1	170.8	0	0	0	111.6	V765 T793 N796 P797 V801	V765-L799 HydrophobicContact CG1-CD2 4.32Å; V765-L799 HydrophobicContact CG2-CD2 3.67Å; T793-L799 WeakPolarHBondContact O-CD1 3.5Å; N796-L799 PolarHBondContact O-N 3.16Å; N796-L799 VanDerWaalsContact O-N 3.16Å; P797-L799 PolarHBondContact O-N 3.09Å; L799-V801 PolarHBondContact O-N 3.46Å
800	L	63	Low	80.6	Confident	179 Å²	179	54.4 Å²	54.4	94%	0.937	30%	0.298	S	S	*	.	S	Bend	trans	-57.8	-20.4	177.4	-71.5	169	0	0	0	114.7	E798	E798-L800 PolarHBondContact O-N 3.06Å
801	V	69.5	Low	80.4	Confident	68 Å²	68	55.3 Å²	55.3	41%	0.412	31%	0.307	S	S	.	.	S	Bend	trans	-138.9	127.7	174.9	-179.8	0	0	0	0	107.4	L799 P803	L799-V801 PolarHBondContact O-N 3.46Å; V801-P803 WeakPolarHBondContact O-CD 3.36Å
802	Q	79.8	Confident	80.1	Confident	136 Å²	136	57.7 Å²	57.7	64%	0.636	31%	0.311	S	S	*	.			trans	-84	113.9	170.4	-71.7	-175.4	-15.9	0	0	109.6
803	P	85.2	Confident	79.9	Confident	11 Å²	11	57.5 Å²	57.5	7%	0.071	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-65.7	151.7	174	19.1	-30.1	0	0	0	113.8	P771 E772 V774 V794 V801 V805	P771-P803 WeakPolarHBondContact O-CB 3.47Å; E772-P803 VanDerWaalsContact O-CA 3.25Å; E772-P803 WeakPolarHBondContact O-CA 3.43Å; V774-P803 HydrophobicContact CG2-CB 4.04Å; V774-P803 HydrophobicContact CG2-CG 3.96Å; V794-P803 HydrophobicContact CB-CG 4.34Å; V794-P803 HydrophobicContact CG1-CG 3.67Å; V794-P803 HydrophobicContact CG2-CG 3.78Å; V801-P803 WeakPolarHBondContact O-CD 3.36Å; P803-V805 PolarHBondContact O-N 3.17Å
804	E	90.1	Very high	79.8	Confident	80 Å²	80	58.5 Å²	58.5	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.4	166.8	-74.6	-162.9	-126.5	0	0	110.7	V580 E772 M773 V774 F806	V580-E804 HydrophobicContact CG1-CB 3.93Å; V580-E804 HydrophobicContact CG1-CG 4.2Å; E772-E804 PolarHBondContact O-N 2.71Å; E772-E804 VanDerWaalsContact O-N 3.07Å; M773-E804 WeakPolarHBondContact CA-O 3.48Å; V774-E804 PolarHBondContact N-O 3.3Å; E804-F806 HydrophobicContact CB-CE2 3.81Å; E804-F806 HydrophobicContact CB-CZ 4.41Å
805	V	92	Very high	80.2	Confident	28 Å²	28	59.6 Å²	59.6	17%	0.17	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.1	-175.3	-175.7	0	0	0	0	112.2	V774 I790 V794 P803 A807	V774-V805 CarbonylContact O-C 3.54Å; V774-V805 WeakPolarHBondContact O-CA 3.32Å; I790-V805 HydrophobicContact CG2-CG1 4.08Å; V794-V805 HydrophobicContact CB-CG2 4.07Å; V794-V805 HydrophobicContact CG1-CG2 3.59Å; V794-V805 HydrophobicContact CG2-CG2 4.06Å; P803-V805 PolarHBondContact O-N 3.17Å; V805-A807 HydrophobicContact CG1-CB 4.17Å
806	F	93.6	Very high	80.9	Confident	1 Å²	1	59.3 Å²	59.3	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	66.1	175.5	-61.5	-90.9	0	0	0	110.1	L572 H576 I577 V580 M773 V774 M775 C776 E804 Y819	L572-F806 HydrophobicContact CD1-CD1 3.87Å; L572-F806 HydrophobicContact CD1-CE1 4.48Å; H576-F806 AromaticContact CD2-CE1 3.68Å; H576-F806 AromaticContact NE2-CE1 3.09Å; H576-F806 WeakPolarHBondContact NE2-CE1 3.09Å; H576-F806 AromaticContact NE2-CZ 3.61Å; I577-F806 HydrophobicContact CB-CD1 4.37Å; I577-F806 HydrophobicContact CB-CE1 4.19Å; I577-F806 HydrophobicContact CD1-CB 3.96Å; I577-F806 HydrophobicContact CD1-CD1 3.82Å; I577-F806 HydrophobicContact CD1-CD2 4.19Å; I577-F806 HydrophobicContact CD1-CE1 4.36Å; I577-F806 HydrophobicContact CD1-CG 3.72Å; I577-F806 HydrophobicContact CG1-CD1 3.96Å; I577-F806 HydrophobicContact CG1-CD2 4.31Å; I577-F806 HydrophobicContact CG1-CE1 3.98Å; I577-F806 HydrophobicContact CG1-CE2 4.34Å; I577-F806 HydrophobicContact CG1-CG 4.12Å; I577-F806 HydrophobicContact CG1-CZ 4.18Å; V580-F806 HydrophobicContact CB-CE2 4.29Å; V580-F806 HydrophobicContact CB-CZ 4.05Å; V580-F806 HydrophobicContact CG1-CE2 3.96Å; V580-F806 HydrophobicContact CG1-CZ 4.15Å; V580-F806 HydrophobicContact CG2-CZ 4.07Å; M773-F806 HydrophobicContact CE-CD2 3.82Å; M773-F806 HydrophobicContact CE-CE2 4.07Å; M773-F806 HydrophobicContact CG-CD2 4.03Å; M773-F806 HydrophobicContact CG-CE2 4.04Å; M773-F806 HydrophobicContact SD-CD2 4.46Å; M773-F806 HydrophobicContact SD-CE2 4.26Å; V774-F806 PolarHBondContact O-N 3.13Å; M775-F806 HydrophobicContact CB-CB 4.22Å; M775-F806 HydrophobicContact CG-CB 4.07Å; C776-F806 PolarHBondContact N-O 2.85Å; C776-F806 VanDerWaalsContact N-O 3.09Å; E804-F806 HydrophobicContact CB-CE2 3.81Å; E804-F806 HydrophobicContact CB-CZ 4.41Å; F806-Y819 HydrophobicContact CD1-CE2 4.01Å; F806-Y819 AromaticContact CD1-CZ 3.99Å
807	A	93.7	Very high	81.7	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.2	171.5	0	0	0	0	0	110.5	C776 F787 V805 A817 K818 Y819	C776-A807 WeakPolarHBondContact SG-CA 3.41Å; C776-A807 VanDerWaalsContact SG-CB 3.53Å; F787-A807 HydrophobicContact CD1-CB 4.03Å; F787-A807 HydrophobicContact CG-CB 4.49Å; V805-A807 HydrophobicContact CG1-CB 4.17Å; A807-A817 HydrophobicContact CB-CB 4.48Å; A807-K818 PolarHBondContact O-N 3.37Å; A807-K818 VanDerWaalsContact O-N 3.07Å; A807-Y819 PolarHBondContact O-N 2.95Å
808	C	94.1	Very high	83	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.2	-167.2	-162.9	0	0	0	0	112.4	L572 C776 I777 G778 F787 Y819 F820	L572-C808 HydrophobicContact CD2-CB 4.09Å; C776-C808 PolarHBondContact O-N 3.49Å; I777-C808 WeakPolarHBondContact CA-O 3.48Å; I777-C808 HydrophobicContact CG1-CB 4.34Å; G778-C808 PolarHBondContact N-O 2.81Å; F787-C808 WeakPolarHBondContact CE1-O 3.36Å; F787-C808 VanDerWaalsContact CZ-O 3.28Å; F787-C808 WeakPolarHBondContact CZ-O 3.5Å; C808-Y819 VanDerWaalsContact CA-O 3.31Å; C808-Y819 WeakPolarHBondContact CA-O 3.27Å; C808-F820 VanDerWaalsContact SG-CA 3.55Å
809	T	93.7	Very high	84.3	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	143.3	173.1	-170	0	0	0	0	111.9	F569 G778 K813 A817 Y819 F820 L821	F569-T809 HydrophobicContact CE2-CG2 4.07Å; F569-T809 HydrophobicContact CZ-CG2 3.72Å; G778-T809 CarbonylContact O-C 3.59Å; G778-T809 VanDerWaalsContact O-CA 3.23Å; G778-T809 WeakPolarHBondContact O-CA 3.43Å; T809-K813 HydrophobicContact CG2-CG 4.49Å; T809-K813 VanDerWaalsContact OG1-CE 3.3Å; T809-K813 WeakPolarHBondContact OG1-CE 3.1Å; T809-A817 HydrophobicContact CG2-CB 4.37Å; T809-Y819 PolarHBondContact N-O 3.07Å; T809-F820 HydrophobicContact CG2-CB 4.11Å; T809-F820 CarbonylContact O-C 3.57Å; T809-F820 WeakPolarHBondContact O-CA 3.37Å; T809-L821 PolarHBondContact O-N 3.42Å
810	V	90.6	Very high	85.5	Confident	9 Å²	9	47.4 Å²	47.4	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.7	172.6	-166.1	0	0	0	0	110.3	T596 I777 G778 D779 K813 V827	T596-V810 HydrophobicContact CG2-CG2 3.99Å; I777-V810 HydrophobicContact CG2-CG2 3.81Å; G778-V810 PolarHBondContact O-N 3.32Å; D779-V810 HydrophobicContact CB-CB 3.68Å; D779-V810 HydrophobicContact CB-CG2 4.1Å; V810-K813 WeakPolarHBondContact O-CE 3.28Å; V810-K813 PolarHBondContact O-NZ 2.86Å; V810-V827 HydrophobicContact CG1-CG2 4.12Å; V810-V827 HydrophobicContact CG2-CG2 3.61Å
811	G	84.5	Confident	86.9	Confident	18 Å²	18	39 Å²	39	19%	0.186	19%	0.194	C	C	.	.	S	Bend	trans	87.9	155.6	-173.2	0	0	0	0	0	113.6	K813 L821	G811-K813 PolarHBondContact O-N 3.43Å; G811-L821 WeakPolarHBondContact CA-O 3.39Å; G811-L821 PolarHBondContact N-O 2.79Å
812	R	80.3	Confident	87.7	Confident	120 Å²	120	37.9 Å²	37.9	45%	0.453	19%	0.186	S	C	.	.	S	Bend	trans	-83.8	77.5	-178.4	-61.9	-178.2	-166.6	173.7	4.1	111.3	L563 F820 D822	L563-R812 HydrophobicContact CD2-CB 4.26Å; L563-R812 VanDerWaalsContact CD2-O 3.23Å; L563-R812 WeakPolarHBondContact CD2-O 3.42Å; R812-F820 HydrophobicContact CG-CD2 3.83Å; R812-F820 HydrophobicContact CG-CE2 3.72Å; R812-F820 HydrophobicContact CG-CG 4.49Å; R812-F820 HydrophobicContact CG-CZ 4.26Å; R812-D822 IonicContact CZ-OD1 2.71Å; R812-D822 IonicContact CZ-OD2 2.66Å; R812-D822 IonicContact NE-OD1 2.59Å; R812-D822 PolarHBondContact NE-OD1 2.84Å; R812-D822 IonicContact NH2-OD1 3.79Å; R812-D822 PolarHBondContact NH2-OD1 2.72Å; R812-D822 IonicContact NH2-OD2 2.65Å; R812-D822 PolarHBondContact NH2-OD2 3.37Å
813	K	79.6	Confident	88.1	Confident	64 Å²	64	35.2 Å²	35.2	28%	0.278	18%	0.176	S	C	.	.			trans	-124.8	159.5	179.6	59.5	-157.7	178.8	-162.1	0	112.3	L565 D779 T809 V810 G811 S815	L565-K813 WeakPolarHBondContact CD2-O 3.32Å; D779-K813 VanDerWaalsContact CB-NZ 3.26Å; D779-K813 WeakPolarHBondContact O-CE 3.34Å; D779-K813 PolarHBondContact O-NZ 2.7Å; D779-K813 IonicContact OD2-NZ 2.72Å; D779-K813 PolarHBondContact OD2-NZ 3.1Å; T809-K813 HydrophobicContact CG2-CG 4.49Å; T809-K813 VanDerWaalsContact OG1-CE 3.3Å; T809-K813 WeakPolarHBondContact OG1-CE 3.1Å; V810-K813 WeakPolarHBondContact O-CE 3.28Å; V810-K813 PolarHBondContact O-NZ 2.86Å; G811-K813 PolarHBondContact O-N 3.43Å; K813-S815 PolarHBondContact O-N 2.71Å
814	P	78.2	Confident	88.2	Confident	49 Å²	49	37.8 Å²	37.8	32%	0.318	19%	0.187	S	C	.	.			trans	-61.5	132.7	172	-16.5	30.8	0	0	0	109.8	L563	L563-P814 HydrophobicContact CD1-CG 3.85Å
815	S	84.2	Confident	88.1	Confident	30 Å²	30	37.1 Å²	37.1	21%	0.21	20%	0.195	C	C	.	.			trans	-157.3	154.9	-174.8	178.2	0	0	0	0	110.4	E784 K813 A817	E784-S815 WeakPolarHBondContact OE1-CA 3.45Å; E784-S815 WeakPolarHBondContact OE1-CB 3.34Å; E784-S815 PolarHBondContact OE1-OG 3.1Å; E784-S815 WeakPolarHBondContact OE2-CA 3.5Å; E784-S815 PolarHBondContact OE2-OG 3.5Å; K813-S815 PolarHBondContact O-N 2.71Å; S815-A817 WeakPolarHBondContact OG-CB 3.5Å; S815-A817 PolarHBondContact OG-N 3.34Å
816	K	85.5	Confident	88.1	Confident	82 Å²	82	37 Å²	37	36%	0.357	19%	0.193	S	C	.	.	S	Bend	trans	-73.5	-15.6	166	-60.2	175.5	-157.6	167.3	0	112.2	E784 F787 E788	E784-K816 WeakPolarHBondContact O-CD 3.25Å; E784-K816 WeakPolarHBondContact O-CE 3.49Å; E784-K816 PolarHBondContact O-NZ 3.36Å; E784-K816 WeakPolarHBondContact OE2-CB 3.43Å; E784-K816 VanDerWaalsContact OE2-CG 3.32Å; E784-K816 WeakPolarHBondContact OE2-CG 3.41Å; E784-K816 PolarHBondContact OE2-N 2.81Å; F787-K816 HydrophobicContact CB-CB 4.22Å; E788-K816 HydrophobicContact CB-CD 3.78Å; E788-K816 HydrophobicContact CG-CD 4.28Å; E788-K816 WeakPolarHBondContact OE1-CD 3.4Å; E788-K816 WeakPolarHBondContact OE1-CE 3.42Å; E788-K816 IonicContact OE1-NZ 2.64Å; E788-K816 PolarHBondContact OE1-NZ 3.22Å; E788-K816 VanDerWaalsContact OE1-NZ 3.11Å; E788-K816 IonicContact OE2-NZ 2.79Å; E788-K816 PolarHBondContact OE2-NZ 3.17Å
817	A	88.2	Confident	88.1	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.033	19%	0.193	C	C	.	.			trans	-57.3	144.1	171.9	0	0	0	0	0	111.7	F569 F787 A807 T809 S815 Y819	F569-A817 VanDerWaalsContact CD2-O 3.27Å; F569-A817 WeakPolarHBondContact CD2-O 3.37Å; F569-A817 WeakPolarHBondContact CE2-O 3.41Å; F787-A817 HydrophobicContact CD1-CB 4.49Å; F787-A817 HydrophobicContact CD2-CB 3.88Å; F787-A817 HydrophobicContact CE2-CB 3.93Å; F787-A817 HydrophobicContact CG-CB 4.19Å; F787-A817 HydrophobicContact CZ-CB 4.26Å; A807-A817 HydrophobicContact CB-CB 4.48Å; T809-A817 HydrophobicContact CG2-CB 4.37Å; S815-A817 WeakPolarHBondContact OG-CB 3.5Å; S815-A817 PolarHBondContact OG-N 3.34Å; A817-Y819 VanDerWaalsContact C-N 3.35Å
818	K	87.6	Confident	88	Confident	96 Å²	96	37.8 Å²	37.8	42%	0.417	20%	0.198	S	C	.	.	S	Bend	trans	-81.9	-18.2	175	-175.2	172.6	-179.1	177.6	0	112.2	F569 R570 A807	F569-K818 WeakPolarHBondContact CA-O 3.25Å; R570-K818 PolarHBondContact N-O 2.66Å; A807-K818 PolarHBondContact O-N 3.37Å; A807-K818 VanDerWaalsContact O-N 3.07Å
819	Y	91.5	Very high	87.9	Confident	5 Å²	5	44 Å²	44	2%	0.02	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	164.6	-174.3	-61.5	-93.7	0	0	0	112.7	R570 L572 H576 F806 A807 C808 T809 A817	R570-Y819 HydrophobicContact CG-CD1 3.73Å; R570-Y819 HydrophobicContact CG-CE1 3.83Å; R570-Y819 VanDerWaalsContact NE-CE1 3.31Å; R570-Y819 PolarHBondContact NH2-OH 3.09Å; R570-Y819 CarbonylContact O-C 3.54Å; R570-Y819 WeakPolarHBondContact O-CA 3.21Å; L572-Y819 HydrophobicContact CB-CD1 4.16Å; L572-Y819 HydrophobicContact CB-CG 4.39Å; L572-Y819 HydrophobicContact CD1-CD1 3.8Å; L572-Y819 HydrophobicContact CD1-CE1 3.95Å; L572-Y819 HydrophobicContact CD1-CG 4.23Å; H576-Y819 AromaticContact CD2-CE1 3.97Å; H576-Y819 AromaticContact NE2-CZ 3.97Å; H576-Y819 PolarHBondContact NE2-OH 3.39Å; F806-Y819 HydrophobicContact CD1-CE2 4.01Å; F806-Y819 AromaticContact CD1-CZ 3.99Å; A807-Y819 PolarHBondContact O-N 2.95Å; C808-Y819 VanDerWaalsContact CA-O 3.31Å; C808-Y819 WeakPolarHBondContact CA-O 3.27Å; T809-Y819 PolarHBondContact N-O 3.07Å; A817-Y819 VanDerWaalsContact C-N 3.35Å
820	F	91.6	Very high	87.9	Confident	14 Å²	14	44.1 Å²	44.1	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.7	166.4	72	-88.8	0	0	0	113.3	F569 R570 K571 L572 C808 T809 R812 D822	F569-F820 AromaticContact CD1-CD1 3.62Å; F569-F820 HydrophobicContact CD1-CD1 3.62Å; F569-F820 HydrophobicContact CD1-CE1 4.14Å; F569-F820 HydrophobicContact CE1-CB 3.84Å; F569-F820 AromaticContact CE1-CD1 3.29Å; F569-F820 HydrophobicContact CE1-CD1 3.29Å; F569-F820 HydrophobicContact CE1-CE1 4.1Å; F569-F820 AromaticContact CE1-CG 3.86Å; F569-F820 HydrophobicContact CE1-CG 3.86Å; F569-F820 HydrophobicContact CZ-CB 3.73Å; F569-F820 HydrophobicContact CZ-CD1 4.05Å; F569-F820 HydrophobicContact CZ-CG 4.29Å; R570-F820 PolarHBondContact O-N 3.38Å; R570-F820 VanDerWaalsContact O-N 3.07Å; K571-F820 CarbonylContact C-O 3.53Å; K571-F820 WeakPolarHBondContact CA-O 3.36Å; K571-F820 HydrophobicContact CB-CD2 4.42Å; K571-F820 HydrophobicContact CB-CE1 4.03Å; K571-F820 HydrophobicContact CB-CE2 3.85Å; K571-F820 HydrophobicContact CB-CZ 3.65Å; K571-F820 HydrophobicContact CD-CE2 4.17Å; K571-F820 HydrophobicContact CG-CD2 4.37Å; K571-F820 HydrophobicContact CG-CE2 3.97Å; K571-F820 HydrophobicContact CG-CZ 4.3Å; K571-F820 VanDerWaalsContact N-CE1 3.3Å; L572-F820 PolarHBondContact N-O 3Å; C808-F820 VanDerWaalsContact SG-CA 3.55Å; T809-F820 HydrophobicContact CG2-CB 4.11Å; T809-F820 CarbonylContact O-C 3.57Å; T809-F820 WeakPolarHBondContact O-CA 3.37Å; R812-F820 HydrophobicContact CG-CD2 3.83Å; R812-F820 HydrophobicContact CG-CE2 3.72Å; R812-F820 HydrophobicContact CG-CG 4.49Å; R812-F820 HydrophobicContact CG-CZ 4.26Å; F820-D822 WeakPolarHBondContact CE2-OD1 3.42Å
821	L	92	Very high	88.1	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	156.9	163	-70.4	155.6	0	0	0	108.1	L572 I777 T809 G811 D826 V827 L830	L572-L821 HydrophobicContact CB-CD2 4.29Å; L572-L821 HydrophobicContact CB-CG 4.41Å; I777-L821 HydrophobicContact CD1-CD1 4.11Å; I777-L821 HydrophobicContact CG2-CD1 4.2Å; T809-L821 PolarHBondContact O-N 3.42Å; G811-L821 WeakPolarHBondContact CA-O 3.39Å; G811-L821 PolarHBondContact N-O 2.79Å; L821-D826 HydrophobicContact CB-CB 4.48Å; L821-D826 HydrophobicContact CD2-CB 4.31Å; L821-V827 HydrophobicContact CB-CG2 4.22Å; L821-V827 HydrophobicContact CD1-CB 4.37Å; L821-V827 HydrophobicContact CD1-CG2 3.76Å; L821-L830 HydrophobicContact CD1-CD2 3.89Å; L821-L830 HydrophobicContact CD2-CB 4.41Å; L821-L830 HydrophobicContact CD2-CD2 4.32Å
822	D	86.6	Confident	88.5	Confident	46 Å²	46	47.5 Å²	47.5	25%	0.246	23%	0.231	C	C	.	.	S	Bend	trans	-81.6	-36.7	-173.2	-79.5	-38.5	0	0	0	113.3	K571 R812 F820	K571-D822 WeakPolarHBondContact CE-OD2 3.19Å; K571-D822 IonicContact NZ-OD2 3.46Å; K571-D822 PolarHBondContact NZ-OD2 2.98Å; R812-D822 IonicContact CZ-OD1 2.71Å; R812-D822 IonicContact CZ-OD2 2.66Å; R812-D822 IonicContact NE-OD1 2.59Å; R812-D822 PolarHBondContact NE-OD1 2.84Å; R812-D822 IonicContact NH2-OD1 3.79Å; R812-D822 PolarHBondContact NH2-OD1 2.72Å; R812-D822 IonicContact NH2-OD2 2.65Å; R812-D822 PolarHBondContact NH2-OD2 3.37Å; F820-D822 WeakPolarHBondContact CE2-OD1 3.42Å
823	D	87.2	Confident	88.9	Confident	79 Å²	79	42.4 Å²	42.4	42%	0.422	22%	0.216	S	C	.	.	S	Bend	trans	-159.6	176	-177.3	54.7	52.6	0	0	0	111.3	A825 D826 V827	D823-A825 PolarHBondContact O-N 3.45Å; D823-A825 WeakPolarHBondContact OD1-CA 3.43Å; D823-A825 WeakPolarHBondContact OD1-CB 3.46Å; D823-A825 PolarHBondContact OD1-N 2.92Å; D823-D826 WeakPolarHBondContact O-CB 3.38Å; D823-D826 PolarHBondContact O-N 2.83Å; D823-D826 PolarHBondContact OD1-N 3.37Å; D823-V827 PolarHBondContact O-N 2.89Å; D823-V827 VanDerWaalsContact O-N 3.16Å
824	E	87.7	Confident	89.5	Confident	66 Å²	66	39.3 Å²	39.3	31%	0.308	20%	0.203	S	C	.	.	H	α-helix	trans	-59.3	-31.9	179	-51.7	125.1	-163	0	0	112.9	G595 P599 V827 L828	G595-E824 WeakPolarHBondContact O-CG 3.39Å; P599-E824 WeakPolarHBondContact CB-OE1 3.34Å; E824-V827 WeakPolarHBondContact O-CB 3.35Å; E824-V827 PolarHBondContact O-N 3.25Å; E824-L828 WeakPolarHBondContact O-CG 3.2Å; E824-L828 PolarHBondContact O-N 3.39Å
825	A	88.7	Confident	90	Very high	66 Å²	66	37.2 Å²	37.2	55%	0.545	19%	0.19	S	C	.	.	H	α-helix	trans	-72.4	-34.6	-179.7	0	0	0	0	0	111.3	D823 L828 K829	D823-A825 PolarHBondContact O-N 3.45Å; D823-A825 WeakPolarHBondContact OD1-CA 3.43Å; D823-A825 WeakPolarHBondContact OD1-CB 3.46Å; D823-A825 PolarHBondContact OD1-N 2.92Å; A825-L828 PolarHBondContact O-N 3.29Å; A825-K829 WeakPolarHBondContact O-CB 3.41Å; A825-K829 PolarHBondContact O-N 3.2Å
826	D	90.1	Very high	90	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-33.1	169.9	-119.6	8.2	0	0	0	112.1	K571 L821 D823 K829 L830	K571-D826 WeakPolarHBondContact CE-OD2 3.42Å; K571-D826 IonicContact NZ-OD2 2.69Å; K571-D826 PolarHBondContact NZ-OD2 2.78Å; L821-D826 HydrophobicContact CB-CB 4.48Å; L821-D826 HydrophobicContact CD2-CB 4.31Å; D823-D826 WeakPolarHBondContact O-CB 3.38Å; D823-D826 PolarHBondContact O-N 2.83Å; D823-D826 PolarHBondContact OD1-N 3.37Å; D826-K829 IonicContact OD1-NZ 3.56Å; D826-L830 WeakPolarHBondContact O-CB 3.11Å; D826-L830 PolarHBondContact O-N 3.31Å
827	V	93.6	Very high	89.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-53.8	169.2	-179.5	0	0	0	0	110.4	L597 I777 V810 L821 D823 E824 K829 L830 L831	L597-V827 HydrophobicContact CD2-CG1 4.11Å; I777-V827 HydrophobicContact CD1-CG1 4.15Å; I777-V827 HydrophobicContact CG2-CG1 4.35Å; I777-V827 HydrophobicContact CG2-CG2 4.23Å; V810-V827 HydrophobicContact CG1-CG2 4.12Å; V810-V827 HydrophobicContact CG2-CG2 3.61Å; L821-V827 HydrophobicContact CB-CG2 4.22Å; L821-V827 HydrophobicContact CD1-CB 4.37Å; L821-V827 HydrophobicContact CD1-CG2 3.76Å; D823-V827 PolarHBondContact O-N 2.89Å; D823-V827 VanDerWaalsContact O-N 3.16Å; E824-V827 WeakPolarHBondContact O-CB 3.35Å; E824-V827 PolarHBondContact O-N 3.25Å; V827-K829 VanDerWaalsContact C-N 3.26Å; V827-K829 PolarHBondContact O-N 2.91Å; V827-L830 WeakPolarHBondContact O-CB 3.23Å; V827-L830 PolarHBondContact O-N 3.31Å; V827-L830 VanDerWaalsContact O-N 3.08Å; V827-L831 HydrophobicContact CG1-CD1 3.82Å; V827-L831 HydrophobicContact CG1-CG 4.25Å; V827-L831 WeakPolarHBondContact O-CG 3.31Å; V827-L831 PolarHBondContact O-N 3.14Å
828	L	92.4	Very high	89.3	Confident	20 Å²	20	36.9 Å²	36.9	11%	0.105	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-35.4	179.7	-71	171.6	0	0	0	112.6	L597 V611 E824 A825 R832	L597-L828 HydrophobicContact CD2-CD2 4.34Å; V611-L828 HydrophobicContact CB-CD2 4.28Å; V611-L828 HydrophobicContact CG1-CD2 4.48Å; V611-L828 HydrophobicContact CG2-CD1 4.06Å; V611-L828 HydrophobicContact CG2-CD2 3.91Å; E824-L828 WeakPolarHBondContact O-CG 3.2Å; E824-L828 PolarHBondContact O-N 3.39Å; A825-L828 PolarHBondContact O-N 3.29Å; L828-R832 VanDerWaalsContact O-CB 3.25Å; L828-R832 WeakPolarHBondContact O-CB 3.24Å; L828-R832 PolarHBondContact O-N 3.34Å
829	K	92.2	Very high	88	Confident	129 Å²	129	36 Å²	36	56%	0.561	20%	0.196	S	C	*	.	H	α-helix	trans	-66.8	-40.2	173.7	-178.7	-176.3	174.9	-170.8	0	112.8	A825 D826 V827 G833	A825-K829 WeakPolarHBondContact O-CB 3.41Å; A825-K829 PolarHBondContact O-N 3.2Å; D826-K829 IonicContact OD1-NZ 3.56Å; V827-K829 VanDerWaalsContact C-N 3.26Å; V827-K829 PolarHBondContact O-N 2.91Å; K829-G833 PolarHBondContact O-N 3.35Å; K829-G833 VanDerWaalsContact O-N 3.13Å
830	L	94.1	Very high	86.3	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-51.4	174	-172.9	76.6	0	0	0	110.5	L572 V574 I577 M775 I777 L821 D826 V827 R832 G833 L834	L572-L830 HydrophobicContact CD2-CD2 3.54Å; L572-L830 HydrophobicContact CG-CD1 4.17Å; L572-L830 HydrophobicContact CG-CD2 3.93Å; V574-L830 HydrophobicContact CG2-CD1 3.93Å; I577-L830 HydrophobicContact CG2-CD1 3.86Å; M775-L830 HydrophobicContact SD-CD2 4.31Å; I777-L830 HydrophobicContact CD1-CD2 4.07Å; L821-L830 HydrophobicContact CD1-CD2 3.89Å; L821-L830 HydrophobicContact CD2-CB 4.41Å; L821-L830 HydrophobicContact CD2-CD2 4.32Å; D826-L830 WeakPolarHBondContact O-CB 3.11Å; D826-L830 PolarHBondContact O-N 3.31Å; V827-L830 WeakPolarHBondContact O-CB 3.23Å; V827-L830 PolarHBondContact O-N 3.31Å; V827-L830 VanDerWaalsContact O-N 3.08Å; L830-R832 PolarHBondContact O-N 2.74Å; L830-G833 PolarHBondContact O-N 3.02Å; L830-G833 VanDerWaalsContact O-N 3.14Å; L830-L834 PolarHBondContact O-N 2.84Å; L830-L834 VanDerWaalsContact O-N 3.17Å
831	L	94.4	Very high	84.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-38.8	-178.7	-65.4	178.3	0	0	0	112.1	L591 L597 V614 L618 M775 I777 V827 L834 G835	L591-L831 HydrophobicContact CD1-CD1 3.84Å; L591-L831 HydrophobicContact CD1-CD2 4.27Å; L591-L831 HydrophobicContact CD2-CD1 4.23Å; L591-L831 HydrophobicContact CD2-CD2 4.04Å; L597-L831 HydrophobicContact CD2-CD1 3.67Å; V614-L831 HydrophobicContact CG1-CB 3.43Å; V614-L831 VanDerWaalsContact CG1-CB 3.43Å; L618-L831 HydrophobicContact CD1-CB 4Å; L618-L831 HydrophobicContact CD1-CD2 3.87Å; L618-L831 HydrophobicContact CD1-CG 4.41Å; M775-L831 HydrophobicContact CE-CD2 3.62Å; I777-L831 HydrophobicContact CD1-CD2 4.24Å; V827-L831 HydrophobicContact CG1-CD1 3.82Å; V827-L831 HydrophobicContact CG1-CG 4.25Å; V827-L831 WeakPolarHBondContact O-CG 3.31Å; V827-L831 PolarHBondContact O-N 3.14Å; L831-L834 PolarHBondContact O-N 3.2Å; L831-G835 PolarHBondContact O-N 2.77Å
832	R	92.1	Very high	81.9	Confident	97 Å²	97	49.8 Å²	49.8	37%	0.366	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-47.6	170.7	174.4	173.7	-75.6	135.8	-2.7	111.9	E610 V614 L828 L830 L834 G835 D836	E610-R832 IonicContact OE1-CZ 3.61Å; E610-R832 IonicContact OE1-NH1 3.77Å; E610-R832 PolarHBondContact OE1-NH1 3.13Å; E610-R832 IonicContact OE1-NH2 3.67Å; E610-R832 PolarHBondContact OE1-NH2 3.45Å; V614-R832 HydrophobicContact CG2-CB 4.14Å; L828-R832 VanDerWaalsContact O-CB 3.25Å; L828-R832 WeakPolarHBondContact O-CB 3.24Å; L828-R832 PolarHBondContact O-N 3.34Å; L830-R832 PolarHBondContact O-N 2.74Å; R832-L834 PolarHBondContact O-N 3.07Å; R832-G835 PolarHBondContact O-N 2.88Å; R832-D836 WeakPolarHBondContact CG-OD2 3.36Å; R832-D836 WeakPolarHBondContact O-CB 3.21Å; R832-D836 VanDerWaalsContact O-CG 3.31Å; R832-D836 PolarHBondContact O-N 2.81Å
833	G	89.8	Confident	79.3	Confident	13 Å²	13	53.4 Å²	53.4	13%	0.134	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-27.1	179.2	0	0	0	0	0	114.3	K829 L830 S837	K829-G833 PolarHBondContact O-N 3.35Å; K829-G833 VanDerWaalsContact O-N 3.13Å; L830-G833 PolarHBondContact O-N 3.02Å; L830-G833 VanDerWaalsContact O-N 3.14Å; G833-S837 WeakPolarHBondContact O-CB 3.5Å; G833-S837 PolarHBondContact O-N 2.77Å; G833-S837 PolarHBondContact O-OG 3.48Å
834	L	92.1	Very high	76.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-75.1	-46.4	170.2	-64.1	177.4	0	0	0	111.5	I577 V578 Y581 L618 M775 L830 L831 R832 S837 S838	I577-L834 HydrophobicContact CG1-CD2 4.42Å; I577-L834 HydrophobicContact CG2-CD2 3.95Å; V578-L834 HydrophobicContact CG2-CD2 4Å; Y581-L834 HydrophobicContact CD1-CD2 4.02Å; Y581-L834 HydrophobicContact CD2-CD2 3.75Å; Y581-L834 HydrophobicContact CE1-CB 4.37Å; Y581-L834 HydrophobicContact CE1-CD2 4.47Å; Y581-L834 WeakPolarHBondContact CE1-O 3.21Å; Y581-L834 HydrophobicContact CE2-CB 4.23Å; Y581-L834 HydrophobicContact CE2-CD2 4.21Å; Y581-L834 HydrophobicContact CG-CD2 3.64Å; L618-L834 HydrophobicContact CD2-CB 3.74Å; M775-L834 HydrophobicContact CE-CD1 3.68Å; M775-L834 HydrophobicContact SD-CD1 3.97Å; L830-L834 PolarHBondContact O-N 2.84Å; L830-L834 VanDerWaalsContact O-N 3.17Å; L831-L834 PolarHBondContact O-N 3.2Å; R832-L834 PolarHBondContact O-N 3.07Å; L834-S837 WeakPolarHBondContact O-CB 3.41Å; L834-S837 PolarHBondContact O-N 2.94Å; L834-S838 PolarHBondContact O-N 3.24Å; L834-S838 PolarHBondContact O-OG 3.13Å
835	G	87.8	Confident	73.9	Confident	4 Å²	4	56.9 Å²	56.9	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-46.8	174.8	0	0	0	0	0	113.2	L831 R832 S837 S838 S839	L831-G835 PolarHBondContact O-N 2.77Å; R832-G835 PolarHBondContact O-N 2.88Å; G835-S837 VanDerWaalsContact C-N 3.31Å; G835-S837 PolarHBondContact O-N 3.32Å; G835-S838 WeakPolarHBondContact O-CA 3.35Å; G835-S838 WeakPolarHBondContact O-CB 3.43Å; G835-S838 PolarHBondContact O-N 2.81Å; G835-S839 PolarHBondContact O-N 3.46Å; G835-S839 VanDerWaalsContact O-N 3.09Å
836	D	85.6	Confident	71.3	Confident	95 Å²	95	58 Å²	58	51%	0.508	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-41.3	176.2	-66.7	-24	0	0	0	111.2	R832 S838 S839 S840	R832-D836 WeakPolarHBondContact CG-OD2 3.36Å; R832-D836 WeakPolarHBondContact O-CB 3.21Å; R832-D836 VanDerWaalsContact O-CG 3.31Å; R832-D836 PolarHBondContact O-N 2.81Å; D836-S838 VanDerWaalsContact C-N 3.26Å; D836-S838 PolarHBondContact O-N 2.72Å; D836-S839 PolarHBondContact O-N 2.9Å; D836-S839 PolarHBondContact O-OG 3.27Å; D836-S840 PolarHBondContact O-N 3.45Å
837	S	82.4	Confident	68.5	Low	5 Å²	5	65.6 Å²	65.6	4%	0.035	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-31.6	173.7	-68	0	0	0	0	113.2	V578 R582 G833 L834 G835 S840	V578-S837 WeakPolarHBondContact CG1-OG 3.45Å; R582-S837 PolarHBondContact NE-OG 3.21Å; R582-S837 PolarHBondContact NH2-OG 3.25Å; G833-S837 WeakPolarHBondContact O-CB 3.5Å; G833-S837 PolarHBondContact O-N 2.77Å; G833-S837 PolarHBondContact O-OG 3.48Å; L834-S837 WeakPolarHBondContact O-CB 3.41Å; L834-S837 PolarHBondContact O-N 2.94Å; G835-S837 VanDerWaalsContact C-N 3.31Å; G835-S837 PolarHBondContact O-N 3.32Å; S837-S840 PolarHBondContact O-OG 2.98Å
838	S	76.1	Confident	65.4	Low	10 Å²	10	71.1 Å²	71.1	7%	0.07	41%	0.406	C	S	.	.	H	α-helix	trans	-69.6	-45.4	178.2	-48.6	0	0	0	0	111.3	Y581 D621 L834 G835 D836 S840 L841	Y581-S838 WeakPolarHBondContact CE1-OG 3.34Å; Y581-S838 PolarHBondContact OH-OG 3.42Å; D621-S838 WeakPolarHBondContact OD2-CB 2.94Å; D621-S838 PolarHBondContact OD2-OG 2.9Å; L834-S838 PolarHBondContact O-N 3.24Å; L834-S838 PolarHBondContact O-OG 3.13Å; G835-S838 WeakPolarHBondContact O-CA 3.35Å; G835-S838 WeakPolarHBondContact O-CB 3.43Å; G835-S838 PolarHBondContact O-N 2.81Å; D836-S838 VanDerWaalsContact C-N 3.26Å; D836-S838 PolarHBondContact O-N 2.72Å; S838-S840 PolarHBondContact O-N 3.22Å; S838-L841 PolarHBondContact O-N 3.21Å
839	S	60.2	Low	62.5	Low	77 Å²	77	79 Å²	79	54%	0.538	44%	0.442	S	S	.	.	H	α-helix	trans	-61.2	-30.6	178.5	74.4	0	0	0	0	113.2	G835 D836 L841 K842	G835-S839 PolarHBondContact O-N 3.46Å; G835-S839 VanDerWaalsContact O-N 3.09Å; D836-S839 PolarHBondContact O-N 2.9Å; D836-S839 PolarHBondContact O-OG 3.27Å; S839-L841 PolarHBondContact O-N 3.05Å; S839-K842 PolarHBondContact O-N 3.49Å
840	S	55.3	Low	59.7	Low	77 Å²	77	78 Å²	78	54%	0.538	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.4	-179.2	78.4	0	0	0	0	115.3	D836 S837 S838	D836-S840 PolarHBondContact O-N 3.45Å; S837-S840 PolarHBondContact O-OG 2.98Å; S838-S840 PolarHBondContact O-N 3.22Å
841	L	50.8	Low	56.8	Low	92 Å²	92	82 Å²	82	48%	0.482	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.8	-177.5	-70.3	164.9	0	0	0	113.9	S838 S839	S838-L841 PolarHBondContact O-N 3.21Å; S839-L841 PolarHBondContact O-N 3.05Å
842	K	39.8	Very low	53.9	Low	142 Å²	142	91.3 Å²	91.3	62%	0.617	52%	0.521	S	S	*	.	S	Bend	trans	-75.6	120.8	177.1	-71.2	174.8	-179.5	169.5	0	109.7	S839 S844	S839-K842 PolarHBondContact O-N 3.49Å; K842-S844 PolarHBondContact O-N 2.99Å
843	P	33.3	Very low	51.3	Low	122 Å²	122	95 Å²	95	79%	0.792	54%	0.542	S	S	*	.			trans	-66.6	129.6	-176.9	26.8	-34.1	0	0	0	110.9	S845	P843-S845 PolarHBondContact O-N 3.38Å
844	S	30.7	Very low	48.5	Very low	106 Å²	106	100 Å²	100	74%	0.741	58%	0.575	S	S	*	*			trans	-68.2	99.8	-178.4	56.9	0	0	0	0	111.4	K842 S846	K842-S844 PolarHBondContact O-N 2.99Å; S844-S846 PolarHBondContact O-N 3.08Å
845	S	30.2	Very low	46.3	Very low	112 Å²	112	107 Å²	107	78%	0.783	61%	0.611	S	S	*	*			trans	-75.5	53.8	175.7	61.3	0	0	0	0	112.4	P843 H847	P843-S845 PolarHBondContact O-N 3.38Å; S845-H847 PolarHBondContact O-N 2.85Å; S845-H847 VanDerWaalsContact O-N 3.08Å
846	S	33.7	Very low	44.1	Very low	89 Å²	89	117 Å²	117	62%	0.622	67%	0.671	S	S	*	*			trans	-72.1	96.2	170.7	56.4	0	0	0	0	109.4	S844 T848	S844-S846 PolarHBondContact O-N 3.08Å; S846-T848 VanDerWaalsContact C-N 3.34Å; S846-T848 PolarHBondContact O-N 2.91Å
847	H	31.1	Very low	42.1	Very low	183 Å²	183	118.1 Å²	118.1	85%	0.847	68%	0.679	S	S	*	*			trans	-65.5	93.6	168.6	-92.1	-66.3	0	0	0	110	S845 Q849	S845-H847 PolarHBondContact O-N 2.85Å; S845-H847 VanDerWaalsContact O-N 3.08Å; H847-Q849 PolarHBondContact O-N 3.04Å
848	T	29.8	Very low	40	Very low	117 Å²	117	124.1 Å²	124.1	72%	0.718	71%	0.713	S	S	*	*			trans	-70.6	80.5	170.6	-47.2	0	0	0	0	109.7	S846 V850	S846-T848 VanDerWaalsContact C-N 3.34Å; S846-T848 PolarHBondContact O-N 2.91Å; T848-V850 HydrophobicContact CG2-CG2 4.25Å; T848-V850 PolarHBondContact O-N 2.86Å
849	Q	31.8	Very low	37.9	Very low	185 Å²	185	130.4 Å²	130.4	86%	0.864	75%	0.749	S	S	*	*			trans	-66.5	101.2	166.4	-93.7	-172.6	-25.6	0	0	108.9	H847 A851	H847-Q849 PolarHBondContact O-N 3.04Å; Q849-A851 PolarHBondContact O-N 3.06Å
850	V	32	Very low	36.6	Very low	108 Å²	108	133.5 Å²	133.5	66%	0.655	76%	0.761	S	S	*	*			trans	-74.6	94.7	172.4	-178.6	0	0	0	0	108.5	T848 F852	T848-V850 HydrophobicContact CG2-CG2 4.25Å; T848-V850 PolarHBondContact O-N 2.86Å; V850-F852 HydrophobicContact CG1-CD2 4.04Å; V850-F852 HydrophobicContact CG1-CE2 4.01Å; V850-F852 PolarHBondContact O-N 3.38Å
851	A	34	Very low	35.5	Very low	88 Å²	88	137.1 Å²	137.1	73%	0.727	78%	0.775	S	S	*	*			trans	-73.1	113.8	168.8	0	0	0	0	0	109.8	Q849 E853	Q849-A851 PolarHBondContact O-N 3.06Å; A851-E853 PolarHBondContact O-N 3.39Å
852	F	32.7	Very low	34.4	Very low	196 Å²	196	140.1 Å²	140.1	86%	0.86	79%	0.794	S	S	*	*			trans	-85.2	92.6	164.2	-94.3	-91.1	0	0	0	109	V850	V850-F852 HydrophobicContact CG1-CD2 4.04Å; V850-F852 HydrophobicContact CG1-CE2 4.01Å; V850-F852 PolarHBondContact O-N 3.38Å
853	E	37.8	Very low	34.1	Very low	173 Å²	173	139.9 Å²	139.9	81%	0.808	81%	0.807	S	S	*	*			trans	-86.1	118.1	163.5	-71.3	-162	139.8	0	0	109.9	A851	A851-E853 PolarHBondContact O-N 3.39Å
854	S	32.1	Very low	34.1	Very low	118 Å²	118	141.3 Å²	141.3	83%	0.825	81%	0.808	S	S	*	*			trans	-84.5	119.1	175.1	55.4	0	0	0	0	110.7
855	I	45.4	Very low	34.4	Very low	148 Å²	148	144.3 Å²	144.3	76%	0.759	81%	0.814	S	S	*	*			trans	-125.5	112.2	168	-60.2	-178.5	0	0	0	109.1
856	V	42.3	Very low	34.8	Very low	214 Å²	214	147.2 Å²	147.2	100%	1.297	82%	0.817	S	S	*	*			trans	36.6	0	157.5	-168	0	0	0	0	117.2

Retrieved 856 of 856 residues in 1025.3 ms (Link to these results)

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