A0A087X7E7_POEFO Loading...

Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

S-adenosyl-L-methionine-dependent methyltransferase that mediates RNA cap1 2'-O-ribose methylation to the 5'-cap structure of RNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA to produce m(7)GpppNmp (cap1). S-adenosyl-L-methionine-dependent methyltransferase that mediates mRNA cap1 2'-O-ribose methylation to the 5'-cap structure of mRNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA and small nuclear RNA (snRNA) to produce m(7)GpppRm (cap1). Displays a preference for cap0 transcripts. Cap1 modification is linked to higher levels of translation. May be involved in the interferon response pathway.

AlphaFold DB , UniProt , Accession A0A087X7E7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 828 aa.

						>A0A087X7E7_POEFO|A0A087X7E7
MKRRADATYSPLQGTKRRLEESSSDEESLSRQDSSQNDSLSDQEDHRPSFSMPSISTSSFDAQDNDDSAQTSSKFSMYNSVSQKLMAKMGFREGEGLGKFSQGRKEIVEASTQRGRRGLGLTLQGFQGELNVDWRDEPEPSATEKVDWFPECTTETPDADELRDWLVLGPRKLKIEDETEFCTEDLLHTLLRCKTVFDNLEGEEMRRARTRSNPYETIRGGIFLNRAAMKMANIDHCFDYMFTNPKDSQGKSLVKDREGELLYFGDVCAGPGGFSEYILWRKRWHAKGFGMTLRGPCDFKLEDFYAAPSELFEPYYGEGGVDGDGDITLPENVTAFRNFVMENTDRRGLHFLMADGGFSVEGQENIQEILTKQLLLCQFLTALSTLRTGGHFVCKTFDLFTPFSVGLVYLLYLCFDRISLFKPVTSRPANSERYIVCRGLKPGSDAVREYMFRVNLKLNQLRNRDNDVTEVVPLSIIKDDTDFYQFMVNSNESLCVVQIKALAKIHAYVMDPSLSEPRQADIRKECLKLWGVPDKARVAPSSSDPKNKFYELTKNSDVDAFQSKITPLDSKTLSKLRQIFDYRCIVGGGEQIFLLALGKSQIYTWDGKMPLRWKKIENFKLELPRETLLSVEIVQELKGEGKAQRRISAVHVMDALILNGTDVRDQHFNQRIQMAEKFVKAVAKPSRTDMNPIRVKEVYRLEEMEKIFVRLEMKMTKSSGGVPRLSYTGRDDRHFLPTGLYIIKTVNEPWTMAYSKNSNKKFFYNKLTKESTYDMPPNAAAPFRVCHSERLFWAWVEGVIVHDSQTRTDPEKLSKKEFLTFIHQHHQY
					

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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	34	Very low	29.5	Very low	253 Å²	253	155.6 Å²	155.6	100%	1.246	79%	0.794	S	S	*	*				0	169.8	0	-92.1	175.5	170.5	0	0	109.7
2	K	30.2	Very low	29.1	Very low	179 Å²	179	155.6 Å²	155.6	78%	0.778	80%	0.796	S	S	*	*			trans	-60.3	139.8	-164	-69.9	167	176.2	170.2	0	116.1
3	R	30.2	Very low	28.9	Very low	215 Å²	215	157.6 Å²	157.6	81%	0.811	80%	0.8	S	S	*	*				55.7	150.5	125.4	-59.9	178	179.1	-179.9	-1.7	118.6
4	R	31.1	Very low	28.6	Very low	216 Å²	216	151.4 Å²	151.4	82%	0.815	79%	0.794	S	S	*	*			cis	-170.2	170.5	-1.9	-117.7	-169.2	166.8	167.8	-2.6	107
5	A	29.4	Very low	28.3	Very low	70 Å²	70	150.8 Å²	150.8	58%	0.579	80%	0.8	S	S	*	*			cis	-157.2	138.5	-7.8	0	0	0	0	0	111.3
6	D	28.1	Very low	28.2	Very low	144 Å²	144	153.9 Å²	153.9	77%	0.77	80%	0.804	S	S	*	*				46.5	89.3	126.3	-42.7	-28.5	0	0	0	122.1
7	A	26.7	Very low	27.9	Very low	82 Å²	82	158.6 Å²	158.6	68%	0.678	81%	0.809	S	S	*	*				32.3	122.2	103.6	0	0	0	0	0	123.3
8	T	25.4	Very low	27.8	Very low	122 Å²	122	161.2 Å²	161.2	75%	0.748	81%	0.807	S	S	*	*				72.1	140.7	127.1	57.4	0	0	0	0	125.9
9	Y	25.3	Very low	27.6	Very low	210 Å²	210	159.1 Å²	159.1	82%	0.824	80%	0.798	S	S	*	*			trans	105.5	117.4	133.2	-96.2	-61.6	0	0	0	123
10	S	24.3	Very low	27.3	Very low	103 Å²	103	160.9 Å²	160.9	72%	0.72	80%	0.804	S	S	*	*			trans	77	141.9	145.8	34.8	0	0	0	0	122.4
11	P	40.3	Very low	27.2	Very low	118 Å²	118	161.6 Å²	161.6	77%	0.766	80%	0.804	S	S	*	*			trans	-106.7	164.6	179.8	41.2	-34.6	0	0	0	114
12	L	24.8	Very low	26.6	Very low	155 Å²	155	155.6 Å²	155.6	81%	0.812	79%	0.788	S	S	*	*			trans	176.8	149.9	141.9	-101.7	162.1	0	0	0	114
13	Q	26	Very low	26.2	Very low	182 Å²	182	152.2 Å²	152.2	85%	0.85	79%	0.786	S	S	*	*			trans	65.7	147.3	162.9	-60.9	169.1	12	0	0	118.5
14	G	24.5	Very low	25.8	Very low	70 Å²	70	146.7 Å²	146.7	72%	0.722	78%	0.781	S	S	*	*			cis	136.2	116.9	-10.9	0	0	0	0	0	115.1
15	T	24.3	Very low	25.4	Very low	143 Å²	143	143.4 Å²	143.4	88%	0.877	78%	0.779	S	S	*	*			trans	-159.2	122.8	167.6	14.2	0	0	0	0	109
16	K	26	Very low	25.2	Very low	200 Å²	200	148.8 Å²	148.8	87%	0.87	79%	0.792	S	S	*	*			cis	80.8	110.7	38.6	-109.1	-174.1	178.7	176.2	0	116.7
17	R	24.1	Very low	24.9	Very low	234 Å²	234	150.8 Å²	150.8	88%	0.883	80%	0.797	S	S	*	*			trans	163.1	148	134.7	-92.3	173.6	-177.4	-162.7	1.6	110.7
18	R	25.2	Very low	25	Very low	206 Å²	206	152.2 Å²	152.2	78%	0.777	80%	0.802	S	S	*	*			cis	-167.8	138.4	-24.7	-138.5	-170.3	176.9	-179.1	-5.2	109.9
19	L	24.1	Very low	24.9	Very low	121 Å²	121	154.3 Å²	154.3	63%	0.634	81%	0.808	S	S	*	*			trans	38.8	133.2	140.7	-73.7	168.1	0	0	0	122.3
20	E	22.3	Very low	24.8	Very low	195 Å²	195	149.1 Å²	149.1	91%	0.911	80%	0.803	S	S	*	*				-155.2	155.8	98.2	-109.5	170.3	-158.6	0	0	112
21	E	24.4	Very low	24.6	Very low	175 Å²	175	156.1 Å²	156.1	82%	0.818	81%	0.813	S	S	*	*			trans	-121.5	147.3	-179.1	-67.3	175.7	135.6	0	0	110
22	S	21.6	Very low	23.8	Very low	128 Å²	128	159 Å²	159	90%	0.895	82%	0.817	S	S	*	*			trans	-152.1	138.4	151.1	57	0	0	0	0	113.5
23	S	22.2	Very low	23.7	Very low	107 Å²	107	159 Å²	159	75%	0.748	82%	0.817	S	S	*	*			trans	-77.5	145.2	-175.1	175.6	0	0	0	0	114
24	S	21.9	Very low	23.5	Very low	100 Å²	100	155.9 Å²	155.9	70%	0.699	82%	0.816	S	S	*	*				165	133.8	104.1	47	0	0	0	0	115.2
25	D	21.9	Very low	23.4	Very low	147 Å²	147	157.5 Å²	157.5	79%	0.786	82%	0.816	S	S	*	*			trans	52.3	127.2	140.4	-53.3	-21.6	0	0	0	124.5
26	E	25.4	Very low	23.5	Very low	182 Å²	182	159 Å²	159	85%	0.85	81%	0.813	S	S	*	*			trans	31.2	110	137.8	-64.9	-86.9	141.7	0	0	119.6
27	E	21.8	Very low	23.9	Very low	187 Å²	187	155 Å²	155	87%	0.874	80%	0.801	S	S	*	*				-151.9	141.9	127.2	-128.7	176.5	-153.9	0	0	113
28	S	30	Very low	24.1	Very low	112 Å²	112	148.7 Å²	148.7	78%	0.783	79%	0.785	S	S	*	*			trans	-75.7	120.9	-175.9	53.7	0	0	0	0	112.4
29	L	22.1	Very low	24.1	Very low	165 Å²	165	141.4 Å²	141.4	86%	0.864	77%	0.765	S	S	*	*			trans	-119.8	126.7	172.9	-78.4	169.4	0	0	0	112.3
30	S	23.1	Very low	24.5	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	76%	0.763	S	S	*	*			trans	-58.2	130.7	178.6	50.8	0	0	0	0	112.3	Q32	S30-Q32 PolarHBondContact O-N 3.5Å
31	R	21.8	Very low	24.7	Very low	250 Å²	250	134.5 Å²	134.5	94%	0.943	74%	0.74	S	S	*	*			trans	-64.6	106	166.7	-68.9	-178.8	177.9	-178.4	-1.9	109.3
32	Q	22.2	Very low	25	Very low	179 Å²	179	128.4 Å²	128.4	84%	0.836	71%	0.713	S	S	*	*			trans	-78.4	116.3	162.2	-78.3	-177.2	-35	0	0	108.2	S30 S34	S30-Q32 PolarHBondContact O-N 3.5Å; Q32-S34 PolarHBondContact O-N 3.29Å
33	D	22.3	Very low	25.4	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	71%	0.708	S	S	*	*			trans	-85.9	101.1	-177.4	-141	-16.4	0	0	0	109.1	S35	D33-S35 PolarHBondContact O-N 2.63Å
34	S	21.9	Very low	25.9	Very low	118 Å²	118	131.8 Å²	131.8	83%	0.825	70%	0.703	S	S	*	*			trans	-92.6	89.6	179.1	59.3	0	0	0	0	110.2	Q32	Q32-S34 PolarHBondContact O-N 3.29Å
35	S	24.1	Very low	26.3	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	71%	0.711	S	S	*	*			trans	-108.5	124.3	173.2	55.2	0	0	0	0	111	D33	D33-S35 PolarHBondContact O-N 2.63Å
36	Q	26	Very low	26.6	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	71%	0.713	S	S	*	*			trans	-140.2	156.5	174.3	-73.4	-171.8	-40.6	0	0	109.5
37	N	33.7	Very low	26.6	Very low	118 Å²	118	139.3 Å²	139.3	63%	0.631	72%	0.716	S	S	*	*			trans	71.7	155.4	173.5	-62.1	40.1	0	0	0	117.9
38	D	27.8	Very low	26.7	Very low	100 Å²	100	135 Å²	135	54%	0.535	71%	0.705	S	S	.	*			cis	-160.5	121.4	-47.1	-105.3	-35.4	0	0	0	107
39	S	26.8	Very low	26.4	Very low	53 Å²	53	135.2 Å²	135.2	37%	0.371	71%	0.706	S	S	.	*			trans	-136.2	154.9	168.2	-54.6	0	0	0	0	105.8	S41	S39-S41 PolarHBondContact O-N 3.44Å
40	L	30.7	Very low	26.5	Very low	111 Å²	111	136.3 Å²	136.3	58%	0.581	70%	0.704	S	S	*	*	S	Bend	trans	-66.4	22.7	-168.6	-69.3	164.7	0	0	0	116.1
41	S	28.1	Very low	26.5	Very low	61 Å²	61	136.6 Å²	136.6	43%	0.427	71%	0.706	S	S	.	*	S	Bend	trans	-92.1	101.5	158.5	55.7	0	0	0	0	111.3	S39 Q43	S39-S41 PolarHBondContact O-N 3.44Å; S41-Q43 PolarHBondContact O-N 2.96Å
42	D	30.9	Very low	26.8	Very low	47 Å²	47	133.3 Å²	133.3	25%	0.251	70%	0.704	S	S	.	*			trans	-40.8	138.2	167.9	-55.4	-57.1	0	0	0	112.6	R206 R209 R226 R427	D42-R206 VanDerWaalsContact OD1-CD 3.3Å; D42-R206 WeakPolarHBondContact OD1-CD 3.43Å; D42-R209 IonicContact OD2-CZ 2.71Å; D42-R209 IonicContact OD2-NH2 2.84Å; D42-R209 PolarHBondContact OD2-NH2 3.03Å; D42-R226 IonicContact OD2-NH2 3.27Å; D42-R427 IonicContact OD2-CZ 2.69Å; D42-R427 IonicContact OD2-NH1 3.83Å; D42-R427 PolarHBondContact OD2-NH1 2.68Å; D42-R427 IonicContact OD2-NH2 3.69Å; D42-R427 PolarHBondContact OD2-NH2 3.08Å
43	Q	28.7	Very low	26.9	Very low	169 Å²	169	130 Å²	130	79%	0.79	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-56.1	146.5	179.5	-61.3	174	3.1	0	0	112.4	S41	S41-Q43 PolarHBondContact O-N 2.96Å
44	E	33	Very low	26.9	Very low	137 Å²	137	128.4 Å²	128.4	64%	0.64	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-95.7	122	174.1	-68.3	-159.8	132.4	0	0	111.7	H46	E44-H46 PolarHBondContact O-N 3.29Å
45	D	31.2	Very low	27.1	Very low	163 Å²	163	130.7 Å²	130.7	87%	0.872	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-61.6	131.8	171.1	-80.2	-45.5	0	0	0	112.1
46	H	26.6	Very low	27.1	Very low	181 Å²	181	131.1 Å²	131.1	84%	0.838	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-68.9	140.1	167.2	-76.4	-1.9	0	0	0	111.6	E44 P48	E44-H46 PolarHBondContact O-N 3.29Å; H46-P48 VanDerWaalsContact O-CD 3.28Å; H46-P48 WeakPolarHBondContact O-CD 3.45Å
47	R	26.9	Very low	27	Very low	243 Å²	243	129.4 Å²	129.4	92%	0.917	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59.7	122	171.8	-88.1	-178.9	167.4	176.9	-4	110.9	S49	R47-S49 PolarHBondContact O-N 3.02Å
48	P	22.5	Very low	26.6	Very low	96 Å²	96	129.4 Å²	129.4	62%	0.623	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-71	124.2	158.7	29.2	-31.6	0	0	0	109.3	H46 F50	H46-P48 VanDerWaalsContact O-CD 3.28Å; H46-P48 WeakPolarHBondContact O-CD 3.45Å; P48-F50 HydrophobicContact CB-CD2 4.26Å; P48-F50 HydrophobicContact CB-CE2 3.91Å; P48-F50 HydrophobicContact CG-CD2 4.2Å; P48-F50 HydrophobicContact CG-CE2 3.78Å; P48-F50 PolarHBondContact O-N 3.18Å; P48-F50 VanDerWaalsContact O-N 3.15Å
49	S	23.4	Very low	26.5	Very low	117 Å²	117	128.7 Å²	128.7	82%	0.818	72%	0.717	S	S	*	*			trans	-76.3	96.7	173	58.2	0	0	0	0	110.3	R47 S51	R47-S49 PolarHBondContact O-N 3.02Å; S49-S51 PolarHBondContact O-N 2.95Å
50	F	24.3	Very low	26.4	Very low	187 Å²	187	135.9 Å²	135.9	82%	0.82	74%	0.741	S	S	*	*			trans	-81.4	107.4	168.2	-77.2	-79.2	0	0	0	110.3	P48 M52	P48-F50 HydrophobicContact CB-CD2 4.26Å; P48-F50 HydrophobicContact CB-CE2 3.91Å; P48-F50 HydrophobicContact CG-CD2 4.2Å; P48-F50 HydrophobicContact CG-CE2 3.78Å; P48-F50 PolarHBondContact O-N 3.18Å; P48-F50 VanDerWaalsContact O-N 3.15Å; F50-M52 PolarHBondContact O-N 2.78Å
51	S	24.6	Very low	26.2	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-71.9	118.7	163.1	40.4	0	0	0	0	109.5	S49 P53	S49-S51 PolarHBondContact O-N 2.95Å; S51-P53 WeakPolarHBondContact O-CD 3.3Å
52	M	26.9	Very low	26.2	Very low	180 Å²	180	140 Å²	140	89%	0.887	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.3	127.9	170.9	-85.2	-71.5	-150.3	0	0	110.5	F50	F50-M52 PolarHBondContact O-N 2.78Å
53	P	24.1	Very low	26.1	Very low	110 Å²	110	146.6 Å²	146.6	71%	0.714	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.4	136.6	160.9	-12.9	29.2	0	0	0	109.6	S51 I55	S51-P53 WeakPolarHBondContact O-CD 3.3Å; P53-I55 PolarHBondContact O-N 2.92Å
54	S	23.8	Very low	26.1	Very low	119 Å²	119	146.4 Å²	146.4	83%	0.832	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65.4	122.9	175.3	50.8	0	0	0	0	111.7
55	I	24.8	Very low	25.9	Very low	167 Å²	167	147.2 Å²	147.2	86%	0.856	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-87.9	116	165.9	-64.6	176.6	0	0	0	108.5	P53	P53-I55 PolarHBondContact O-N 2.92Å
56	S	24.9	Very low	25.8	Very low	112 Å²	112	147.2 Å²	147.2	78%	0.783	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-84.4	142.2	166.1	47.6	0	0	0	0	110.7
57	T	24.5	Very low	26.2	Very low	137 Å²	137	145.8 Å²	145.8	84%	0.84	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-72.1	140.6	-176	48	0	0	0	0	114
58	S	24.3	Very low	26.3	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	81%	0.81	S	S	*	*			trans	-151.5	126.3	138.7	51.1	0	0	0	0	111.9
59	S	25.1	Very low	26.9	Very low	86 Å²	86	139.8 Å²	139.8	60%	0.601	82%	0.817	S	S	*	*			trans	-50.6	155.5	172.8	48.9	0	0	0	0	115.2
60	F	26.3	Very low	27.2	Very low	203 Å²	203	143 Å²	143	89%	0.89	82%	0.82	S	S	*	*				-167.8	141.3	109.9	-97.1	-65.3	0	0	0	111.8
61	D	25.8	Very low	27.6	Very low	160 Å²	160	140.5 Å²	140.5	86%	0.856	82%	0.82	S	S	*	*			trans	-76.7	152.1	176.9	-59.9	-73.1	0	0	0	113.1
62	A	27.8	Very low	28	Very low	100 Å²	100	141.1 Å²	141.1	83%	0.826	82%	0.824	S	S	*	*			trans	-162	127	139.4	0	0	0	0	0	110.4
63	Q	29.1	Very low	28.8	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.864	80%	0.804	S	S	*	*			trans	-81	150.3	160.8	-61.3	169.3	-79	0	0	108.7
64	D	27.4	Very low	30.1	Very low	164 Å²	164	139.7 Å²	139.7	88%	0.877	81%	0.81	S	S	*	*				-166.8	152.6	124.4	-108.9	-27	0	0	0	112.7
65	N	29.8	Very low	31.5	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	78%	0.783	S	S	*	*			trans	-86.3	154.9	168.1	-61.4	-45.8	0	0	0	109.7
66	D	28.4	Very low	32.8	Very low	162 Å²	162	133.5 Å²	133.5	87%	0.866	77%	0.774	S	S	*	*				-165.5	156.6	113.9	-144.6	-5.6	0	0	0	112.8
67	D	34.8	Very low	34.2	Very low	151 Å²	151	136.9 Å²	136.9	81%	0.807	78%	0.78	S	S	*	*			trans	-95.6	132.5	172.6	-112.4	-35	0	0	0	110.4
68	S	29.1	Very low	35.9	Very low	120 Å²	120	135 Å²	135	84%	0.839	76%	0.758	S	S	*	*			trans	-168	139.4	149.6	44.6	0	0	0	0	113.1
69	A	36.1	Very low	38.2	Very low	93 Å²	93	134 Å²	134	77%	0.769	74%	0.744	S	S	*	*			trans	-96	133.9	-179.7	0	0	0	0	0	112.1
70	Q	29.9	Very low	40.4	Very low	185 Å²	185	133.7 Å²	133.7	86%	0.864	74%	0.741	S	S	*	*			trans	-167.3	128.9	146.3	-109.2	159.2	42.5	0	0	113.4
71	T	31.7	Very low	42.6	Very low	135 Å²	135	128.9 Å²	128.9	83%	0.828	73%	0.728	S	S	*	*			trans	37.4	96	158	53.3	0	0	0	0	118.7	S73	T71-S73 PolarHBondContact O-N 2.89Å
72	S	33.8	Very low	44.6	Very low	122 Å²	122	123.4 Å²	123.4	85%	0.853	70%	0.702	S	S	*	*			trans	-70.8	108.2	171.4	59	0	0	0	0	112.8
73	S	44.2	Very low	46.6	Very low	67 Å²	67	122.6 Å²	122.6	47%	0.469	68%	0.682	S	S	.	*			trans	-73.2	142.4	159.9	70.5	0	0	0	0	109.7	T71 F75 S76	T71-S73 PolarHBondContact O-N 2.89Å; S73-F75 PolarHBondContact O-N 2.97Å; S73-S76 PolarHBondContact O-N 2.99Å
74	K	50.2	Low	48.7	Very low	193 Å²	193	121.2 Å²	121.2	84%	0.839	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-6.6	-178	-92.6	-178	173.1	179.4	0	114
75	F	52.8	Low	50.8	Low	58 Å²	58	118.9 Å²	118.9	25%	0.254	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	2.5	-179.2	-80.7	-87.6	0	0	0	115.2	S73 M77 Y78 Q83 F91 E93	S73-F75 PolarHBondContact O-N 2.97Å; F75-M77 PolarHBondContact O-N 2.88Å; F75-M77 VanDerWaalsContact O-N 3.1Å; F75-Y78 AromaticContact CD1-CD2 3.65Å; F75-Y78 HydrophobicContact CD1-CD2 3.65Å; F75-Y78 AromaticContact CD1-CE2 3.68Å; F75-Y78 HydrophobicContact CD1-CE2 3.68Å; F75-Y78 HydrophobicContact CE1-CD2 4.23Å; F75-Y78 AromaticContact CE1-CE2 3.81Å; F75-Y78 HydrophobicContact CE1-CE2 3.81Å; F75-Y78 PolarHBondContact O-N 2.68Å; F75-Q83 PolarHBondContact O-NE2 3.19Å; F75-F91 HydrophobicContact CD1-CE1 4.21Å; F75-F91 HydrophobicContact CD1-CZ 4.46Å; F75-F91 AromaticContact CE1-CE1 3.78Å; F75-F91 HydrophobicContact CE1-CE1 3.78Å; F75-F91 AromaticContact CE1-CZ 3.62Å; F75-F91 HydrophobicContact CE1-CZ 3.62Å; F75-F91 HydrophobicContact CE2-CZ 4.22Å; F75-F91 HydrophobicContact CZ-CE1 4.02Å; F75-F91 AromaticContact CZ-CZ 3.49Å; F75-F91 HydrophobicContact CZ-CZ 3.49Å; F75-F91 VanDerWaalsContact CZ-CZ 3.49Å; F75-E93 HydrophobicContact CD2-CG 4.05Å; F75-E93 HydrophobicContact CE2-CG 4.06Å
76	S	52.9	Low	52.6	Low	97 Å²	97	113.3 Å²	113.3	68%	0.678	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-13.4	175.3	-171.1	0	0	0	0	114.8	S73 Y78	S73-S76 PolarHBondContact O-N 2.99Å; S76-Y78 VanDerWaalsContact C-N 3.34Å
77	M	54.2	Low	54.6	Low	183 Å²	183	108.8 Å²	108.8	90%	0.901	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-15	178.3	-68.8	-175.2	179.3	0	0	114.3	F75	F75-M77 PolarHBondContact O-N 2.88Å; F75-M77 VanDerWaalsContact O-N 3.1Å
78	Y	60.3	Low	56.3	Low	99 Å²	99	110.7 Å²	110.7	39%	0.388	62%	0.615	S	S	.	*	S	Bend	trans	-94.6	135.7	-178.9	-63.9	-78	0	0	0	111.4	F75 S76 Q83 M86	F75-Y78 AromaticContact CD1-CD2 3.65Å; F75-Y78 HydrophobicContact CD1-CD2 3.65Å; F75-Y78 AromaticContact CD1-CE2 3.68Å; F75-Y78 HydrophobicContact CD1-CE2 3.68Å; F75-Y78 HydrophobicContact CE1-CD2 4.23Å; F75-Y78 AromaticContact CE1-CE2 3.81Å; F75-Y78 HydrophobicContact CE1-CE2 3.81Å; F75-Y78 PolarHBondContact O-N 2.68Å; S76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-Q83 PolarHBondContact O-NE2 2.79Å; Y78-Q83 VanDerWaalsContact O-NE2 3.16Å; Y78-M86 HydrophobicContact CD1-CE 4.26Å; Y78-M86 HydrophobicContact CD2-CE 4.2Å; Y78-M86 HydrophobicContact CG-CE 3.9Å
79	N	72.9	Confident	58.1	Low	97 Å²	97	111 Å²	111	52%	0.519	61%	0.605	S	S	.	*			trans	-65.2	159.7	177.8	81.9	37.4	0	0	0	112.1	V81 S82 Q83	N79-V81 PolarHBondContact O-N 2.9Å; N79-V81 VanDerWaalsContact O-N 3.14Å; N79-V81 WeakPolarHBondContact OD1-CA 3.27Å; N79-V81 WeakPolarHBondContact OD1-CB 3.19Å; N79-V81 PolarHBondContact OD1-N 2.88Å; N79-S82 WeakPolarHBondContact O-CB 3.23Å; N79-S82 PolarHBondContact O-N 3.21Å; N79-S82 VanDerWaalsContact O-N 3.1Å; N79-S82 PolarHBondContact OD1-N 3.22Å; N79-S82 PolarHBondContact OD1-OG 3.4Å; N79-Q83 PolarHBondContact O-N 2.91Å
80	S	71.7	Confident	59.5	Low	79 Å²	79	108.9 Å²	108.9	55%	0.552	59%	0.592	S	S	*	*	H	α-helix	trans	-63.5	-20.9	-174.1	62.2	0	0	0	0	114.5	K84	S80-K84 WeakPolarHBondContact O-CG 3.4Å; S80-K84 PolarHBondContact O-N 2.79Å
81	V	71.6	Confident	61.2	Low	101 Å²	101	102.4 Å²	102.4	61%	0.612	56%	0.561	S	S	*	*	H	α-helix	trans	-77.3	-46.7	173.8	-175.7	0	0	0	0	110	N79 Q83 K84 L85	N79-V81 PolarHBondContact O-N 2.9Å; N79-V81 VanDerWaalsContact O-N 3.14Å; N79-V81 WeakPolarHBondContact OD1-CA 3.27Å; N79-V81 WeakPolarHBondContact OD1-CB 3.19Å; N79-V81 PolarHBondContact OD1-N 2.88Å; V81-Q83 VanDerWaalsContact C-N 3.34Å; V81-Q83 PolarHBondContact O-N 3.18Å; V81-K84 PolarHBondContact O-N 2.8Å; V81-L85 PolarHBondContact O-N 2.71Å
82	S	68.5	Low	62.8	Low	45 Å²	45	104 Å²	104	32%	0.315	55%	0.552	S	S	.	*	H	α-helix	trans	-57.9	-44.9	175.3	-59.7	0	0	0	0	111.6	N79 K84 L85 M86	N79-S82 WeakPolarHBondContact O-CB 3.23Å; N79-S82 PolarHBondContact O-N 3.21Å; N79-S82 VanDerWaalsContact O-N 3.1Å; N79-S82 PolarHBondContact OD1-N 3.22Å; N79-S82 PolarHBondContact OD1-OG 3.4Å; S82-K84 PolarHBondContact O-N 3.37Å; S82-L85 PolarHBondContact O-N 3.41Å; S82-M86 WeakPolarHBondContact O-CG 3.48Å; S82-M86 PolarHBondContact O-N 2.98Å
83	Q	69.9	Low	64.2	Low	84 Å²	84	104.6 Å²	104.6	39%	0.393	54%	0.541	S	S	.	.	H	α-helix	trans	-59.9	-46.2	176.7	-68.6	178.6	-5.9	0	0	112.2	F75 Y78 N79 V81 L85 M86 A87	F75-Q83 PolarHBondContact O-NE2 3.19Å; Y78-Q83 PolarHBondContact O-NE2 2.79Å; Y78-Q83 VanDerWaalsContact O-NE2 3.16Å; N79-Q83 PolarHBondContact O-N 2.91Å; V81-Q83 VanDerWaalsContact C-N 3.34Å; V81-Q83 PolarHBondContact O-N 3.18Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.09Å; Q83-M86 HydrophobicContact CG-CE 4.43Å; Q83-M86 PolarHBondContact O-N 3.17Å; Q83-A87 WeakPolarHBondContact O-CB 3.31Å; Q83-A87 PolarHBondContact O-N 3.1Å
84	K	72.3	Confident	65.1	Low	156 Å²	156	104.2 Å²	104.2	68%	0.678	55%	0.548	S	S	*	.	H	α-helix	trans	-63.7	-34.1	175.4	-75.3	174.6	-179.8	175.3	0	112.8	S80 V81 S82 K88	S80-K84 WeakPolarHBondContact O-CG 3.4Å; S80-K84 PolarHBondContact O-N 2.79Å; V81-K84 PolarHBondContact O-N 2.8Å; S82-K84 PolarHBondContact O-N 3.37Å; K84-K88 PolarHBondContact O-N 2.94Å; K84-K88 VanDerWaalsContact O-N 3.13Å
85	L	71.1	Confident	65.7	Low	114 Å²	114	98.1 Å²	98.1	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-70.2	-45.7	176.6	-148	85.1	0	0	0	111.4	V81 S82 Q83 A87 K88 M89	V81-L85 PolarHBondContact O-N 2.71Å; S82-L85 PolarHBondContact O-N 3.41Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.09Å; L85-A87 PolarHBondContact O-N 3.47Å; L85-K88 PolarHBondContact O-N 2.64Å; L85-M89 WeakPolarHBondContact O-CG 3.47Å; L85-M89 PolarHBondContact O-N 3.41Å; L85-M89 VanDerWaalsContact O-N 3.09Å
86	M	68.6	Low	66.2	Low	39 Å²	39	95.5 Å²	95.5	19%	0.192	51%	0.512	C	S	.	.	H	α-helix	trans	-60.3	-45	176.5	-71.3	-174.7	-69.9	0	0	111.4	Y78 S82 Q83 K88 M89 G90 F91 L97	Y78-M86 HydrophobicContact CD1-CE 4.26Å; Y78-M86 HydrophobicContact CD2-CE 4.2Å; Y78-M86 HydrophobicContact CG-CE 3.9Å; S82-M86 WeakPolarHBondContact O-CG 3.48Å; S82-M86 PolarHBondContact O-N 2.98Å; Q83-M86 HydrophobicContact CG-CE 4.43Å; Q83-M86 PolarHBondContact O-N 3.17Å; M86-K88 PolarHBondContact O-N 3.5Å; M86-M89 CarbonylContact O-C 3.58Å; M86-M89 PolarHBondContact O-N 3.21Å; M86-M89 VanDerWaalsContact O-N 3.07Å; M86-G90 PolarHBondContact O-N 2.85Å; M86-F91 HydrophobicContact CB-CB 3.96Å; M86-F91 HydrophobicContact CB-CD1 4.13Å; M86-F91 HydrophobicContact CB-CG 4.26Å; M86-F91 WeakPolarHBondContact O-CB 3.49Å; M86-F91 PolarHBondContact O-N 3.34Å; M86-F91 VanDerWaalsContact O-N 3.1Å; M86-L97 HydrophobicContact CG-CD1 4.48Å
87	A	69.7	Low	66.8	Low	67 Å²	67	94.8 Å²	94.8	55%	0.554	50%	0.5	S	S	*	.	H	α-helix	trans	-59.6	-42.8	174.9	0	0	0	0	0	112.6	Q83 L85 M89 G90	Q83-A87 WeakPolarHBondContact O-CB 3.31Å; Q83-A87 PolarHBondContact O-N 3.1Å; L85-A87 PolarHBondContact O-N 3.47Å; A87-M89 PolarHBondContact O-N 3.22Å; A87-G90 PolarHBondContact O-N 2.85Å; A87-G90 VanDerWaalsContact O-N 3.12Å
88	K	71.8	Confident	67.1	Low	190 Å²	190	87.1 Å²	87.1	83%	0.826	47%	0.468	S	S	*	.	H	α-helix	trans	-62.6	-26.7	174.1	-95.2	-174	171.5	-175.7	0	113.8	K84 L85 M86 G90	K84-K88 PolarHBondContact O-N 2.94Å; K84-K88 VanDerWaalsContact O-N 3.13Å; L85-K88 PolarHBondContact O-N 2.64Å; M86-K88 PolarHBondContact O-N 3.5Å; K88-G90 VanDerWaalsContact C-N 3.29Å
89	M	65.8	Low	67.2	Low	128 Å²	128	91.2 Å²	91.2	63%	0.631	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	10	177.5	-62.2	-67	-98.6	0	0	113.1	L85 M86 A87	L85-M89 WeakPolarHBondContact O-CG 3.47Å; L85-M89 PolarHBondContact O-N 3.41Å; L85-M89 VanDerWaalsContact O-N 3.09Å; M86-M89 CarbonylContact O-C 3.58Å; M86-M89 PolarHBondContact O-N 3.21Å; M86-M89 VanDerWaalsContact O-N 3.07Å; A87-M89 PolarHBondContact O-N 3.22Å
90	G	65.4	Low	66.9	Low	48 Å²	48	94.2 Å²	94.2	50%	0.495	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	15.2	175.1	0	0	0	0	0	115.1	M86 A87 K88	M86-G90 PolarHBondContact O-N 2.85Å; A87-G90 PolarHBondContact O-N 2.85Å; A87-G90 VanDerWaalsContact O-N 3.12Å; K88-G90 VanDerWaalsContact C-N 3.29Å
91	F	66.3	Low	66.5	Low	49 Å²	49	92.5 Å²	92.5	22%	0.215	48%	0.484	C	S	.	.			trans	-62.9	138.9	177.1	-179.8	-114.9	0	0	0	112.4	F75 M86 E95 L97	F75-F91 HydrophobicContact CD1-CE1 4.21Å; F75-F91 HydrophobicContact CD1-CZ 4.46Å; F75-F91 AromaticContact CE1-CE1 3.78Å; F75-F91 HydrophobicContact CE1-CE1 3.78Å; F75-F91 AromaticContact CE1-CZ 3.62Å; F75-F91 HydrophobicContact CE1-CZ 3.62Å; F75-F91 HydrophobicContact CE2-CZ 4.22Å; F75-F91 HydrophobicContact CZ-CE1 4.02Å; F75-F91 AromaticContact CZ-CZ 3.49Å; F75-F91 HydrophobicContact CZ-CZ 3.49Å; F75-F91 VanDerWaalsContact CZ-CZ 3.49Å; M86-F91 HydrophobicContact CB-CB 3.96Å; M86-F91 HydrophobicContact CB-CD1 4.13Å; M86-F91 HydrophobicContact CB-CG 4.26Å; M86-F91 WeakPolarHBondContact O-CB 3.49Å; M86-F91 PolarHBondContact O-N 3.34Å; M86-F91 VanDerWaalsContact O-N 3.1Å; F91-E95 WeakPolarHBondContact CE2-O 3.5Å; F91-L97 HydrophobicContact CB-CD1 3.85Å; F91-L97 HydrophobicContact CD2-CD1 3.78Å; F91-L97 HydrophobicContact CG-CD1 4.03Å
92	R	65.3	Low	66.1	Low	169 Å²	169	94.5 Å²	94.5	64%	0.638	49%	0.487	S	S	*	.			trans	-129.5	139.3	172.2	-66.6	176.2	174.8	-177.4	-2.4	108.5	G94 E95	R92-G94 PolarHBondContact O-N 3.1Å; R92-E95 HydrophobicContact CB-CB 4.28Å; R92-E95 HydrophobicContact CB-CG 4.49Å; R92-E95 PolarHBondContact O-N 3.22Å
93	E	62	Low	65.7	Low	133 Å²	133	93.7 Å²	93.7	62%	0.621	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	123.4	-178.2	-168.7	166.7	-164.3	0	0	110.5	F75	F75-E93 HydrophobicContact CD2-CG 4.05Å; F75-E93 HydrophobicContact CE2-CG 4.06Å
94	G	63.5	Low	65.1	Low	59 Å²	59	99 Å²	99	61%	0.608	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-3.1	-174.1	0	0	0	0	0	116.1	R92	R92-G94 PolarHBondContact O-N 3.1Å
95	E	64.2	Low	64.3	Low	65 Å²	65	98.6 Å²	98.6	30%	0.304	50%	0.5	S	S	.	.	S	Bend	trans	-115.1	157.7	178	-68.9	-172.3	-172.4	0	0	113.1	F91 R92 S101	F91-E95 WeakPolarHBondContact CE2-O 3.5Å; R92-E95 HydrophobicContact CB-CB 4.28Å; R92-E95 HydrophobicContact CB-CG 4.49Å; R92-E95 PolarHBondContact O-N 3.22Å; E95-S101 WeakPolarHBondContact OE2-CB 3.37Å; E95-S101 PolarHBondContact OE2-OG 2.98Å
96	G	61.8	Low	63.5	Low	3 Å²	3	101.1 Å²	101.1	3%	0.031	51%	0.509	C	S	.	.			trans	-76.6	146.9	179.3	0	0	0	0	0	112.2	G98 S101 G103	G96-G98 PolarHBondContact O-N 3.15Å; G96-S101 CarbonylContact O-C 3.57Å; G96-S101 VanDerWaalsContact O-CA 3.27Å; G96-S101 WeakPolarHBondContact O-CA 3.4Å; G96-G103 WeakPolarHBondContact CA-O 3.48Å
97	L	66.3	Low	62.8	Low	83 Å²	83	106.2 Å²	106.2	44%	0.435	54%	0.535	S	S	.	.	S	Bend	trans	-63.4	129.1	-178.9	-144.1	97.4	0	0	0	112	M86 F91 G103	M86-L97 HydrophobicContact CG-CD1 4.48Å; F91-L97 HydrophobicContact CB-CD1 3.85Å; F91-L97 HydrophobicContact CD2-CD1 3.78Å; F91-L97 HydrophobicContact CG-CD1 4.03Å; L97-G103 WeakPolarHBondContact O-CA 3.16Å; L97-G103 PolarHBondContact O-N 2.94Å; L97-G103 VanDerWaalsContact O-N 3.12Å
98	G	60.1	Low	61.9	Low	21 Å²	21	107.7 Å²	107.7	22%	0.216	54%	0.537	C	S	.	.	S	Bend	trans	133.7	165.3	172.6	0	0	0	0	0	114.7	G96 F100 S101	G96-G98 PolarHBondContact O-N 3.15Å; G98-F100 PolarHBondContact O-N 2.74Å; G98-S101 PolarHBondContact O-N 3.36Å
99	K	61.9	Low	60.7	Low	185 Å²	185	107.2 Å²	107.2	80%	0.804	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.7	-170.7	-171.5	176.3	178.5	-177.4	0	115.3
100	F	66.8	Low	59.6	Low	160 Å²	160	105.6 Å²	105.6	70%	0.702	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	26.4	177	-51.8	-76.4	0	0	0	112.6	G98 Q102	G98-F100 PolarHBondContact O-N 2.74Å; F100-Q102 PolarHBondContact O-N 3.33Å; F100-Q102 VanDerWaalsContact O-N 3.12Å
101	S	63.8	Low	58.4	Low	43 Å²	43	107.2 Å²	107.2	30%	0.301	55%	0.549	S	S	.	.	S	Bend	trans	59.2	26.1	177.4	-49.8	0	0	0	0	114.8	E95 G96 G98	E95-S101 WeakPolarHBondContact OE2-CB 3.37Å; E95-S101 PolarHBondContact OE2-OG 2.98Å; G96-S101 CarbonylContact O-C 3.57Å; G96-S101 VanDerWaalsContact O-CA 3.27Å; G96-S101 WeakPolarHBondContact O-CA 3.4Å; G98-S101 PolarHBondContact O-N 3.36Å
102	Q	62.7	Low	57.4	Low	143 Å²	143	111.4 Å²	111.4	67%	0.668	58%	0.579	S	S	*	*			trans	-87.8	-4.8	-167	71.5	-157.8	28.8	0	0	115.5	F100	F100-Q102 PolarHBondContact O-N 3.33Å; F100-Q102 VanDerWaalsContact O-N 3.12Å
103	G	60.7	Low	56.8	Low	28 Å²	28	106.9 Å²	106.9	29%	0.289	57%	0.565	S	S	.	*	S	Bend	trans	-68.8	170.7	173.4	0	0	0	0	0	112.2	G96 L97 K105	G96-G103 WeakPolarHBondContact CA-O 3.48Å; L97-G103 WeakPolarHBondContact O-CA 3.16Å; L97-G103 PolarHBondContact O-N 2.94Å; L97-G103 VanDerWaalsContact O-N 3.12Å; G103-K105 PolarHBondContact O-N 3.14Å
104	R	57.8	Low	56.3	Low	195 Å²	195	108.4 Å²	108.4	74%	0.736	57%	0.565	S	S	*	*			trans	-61.3	133.5	169	-92.3	-176.1	171.1	176.4	-5.3	110
105	K	56	Low	55.9	Low	148 Å²	148	108.8 Å²	108.8	64%	0.643	57%	0.569	S	S	*	*	S	Bend	trans	-83.4	-28.3	173.3	-67.3	-172.8	176.3	-168.8	0	112.7	G103	G103-K105 PolarHBondContact O-N 3.14Å
106	E	52.3	Low	55.1	Low	167 Å²	167	118.1 Å²	118.1	78%	0.78	60%	0.601	S	S	*	*	S	Bend	trans	-95.2	145.3	179.8	-66.7	175	174.1	0	0	110.4	V108	E106-V108 PolarHBondContact O-N 2.9Å
107	I	55.5	Low	54.8	Low	146 Å²	146	121.3 Å²	121.3	75%	0.749	61%	0.613	S	S	*	*			trans	-59.3	134.3	171.2	-62.5	172.2	0	0	0	107.2	E109	I107-E109 PolarHBondContact O-N 3.29Å
108	V	49.8	Very low	53.9	Low	98 Å²	98	120 Å²	120	59%	0.594	62%	0.619	S	S	*	*			trans	-62.6	112.8	172.2	-177.5	0	0	0	0	107.4	E106 A110	E106-V108 PolarHBondContact O-N 2.9Å; V108-A110 PolarHBondContact O-N 2.82Å
109	E	46.6	Very low	52.9	Low	180 Å²	180	127.5 Å²	127.5	84%	0.841	65%	0.653	S	S	*	*			trans	-51.9	130.8	177.5	-68	-172.6	138.1	0	0	109.8	I107 S111	I107-E109 PolarHBondContact O-N 3.29Å; E109-S111 PolarHBondContact O-N 3.32Å
110	A	42.3	Very low	52.1	Low	94 Å²	94	121.7 Å²	121.7	78%	0.777	65%	0.645	S	S	*	*			trans	-61.5	133.9	177.2	0	0	0	0	0	109	V108 T112	V108-A110 PolarHBondContact O-N 2.82Å; A110-T112 PolarHBondContact O-N 3.04Å; A110-T112 VanDerWaalsContact O-N 3.15Å
111	S	41.6	Very low	51	Low	83 Å²	83	119.6 Å²	119.6	58%	0.58	64%	0.641	S	S	*	*			trans	-43.3	119.7	-179.5	173.1	0	0	0	0	112.1	E109 Q113	E109-S111 PolarHBondContact O-N 3.32Å; S111-Q113 PolarHBondContact O-N 3.36Å; S111-Q113 WeakPolarHBondContact OG-CB 3.05Å; S111-Q113 PolarHBondContact OG-N 2.93Å; S111-Q113 VanDerWaalsContact OG-N 3.16Å; S111-Q113 PolarHBondContact OG-O 3.39Å
112	T	44.2	Very low	50.3	Low	136 Å²	136	121.6 Å²	121.6	83%	0.834	65%	0.651	S	S	*	*	S	Bend	trans	-69.2	-17.1	170	50.1	0	0	0	0	112.1	A110	A110-T112 PolarHBondContact O-N 3.04Å; A110-T112 VanDerWaalsContact O-N 3.15Å
113	Q	52.6	Low	49.8	Very low	75 Å²	75	117.3 Å²	117.3	35%	0.35	63%	0.633	S	S	.	*			trans	-76.4	126.8	173.1	-103.6	164.4	-16.3	0	0	111.5	S111 L121	S111-Q113 PolarHBondContact O-N 3.36Å; S111-Q113 WeakPolarHBondContact OG-CB 3.05Å; S111-Q113 PolarHBondContact OG-N 2.93Å; S111-Q113 VanDerWaalsContact OG-N 3.16Å; S111-Q113 PolarHBondContact OG-O 3.39Å; Q113-L121 PolarHBondContact NE2-O 3.23Å
114	R	52.3	Low	49.1	Very low	165 Å²	165	124.4 Å²	124.4	62%	0.623	66%	0.658	S	S	*	*			trans	-114.7	138.3	-174.2	-60.1	175.2	178.8	-168.9	-6.4	110.3	M510	R114-M510 PolarHBondContact NH1-O 3.21Å
115	G	54.3	Low	48.7	Very low	67 Å²	67	117 Å²	117	69%	0.691	64%	0.643	S	S	*	*	S	Bend	trans	105	-175.2	175.6	0	0	0	0	0	115.3	R117	G115-R117 PolarHBondContact O-N 3.49Å
116	R	48.4	Very low	48.5	Very low	260 Å²	260	110.8 Å²	110.8	98%	0.981	62%	0.616	S	S	*	*	S	Bend	trans	-82	11.5	179.9	-75.7	-172	177.1	-177.4	-0.2	114.1
117	R	55.1	Low	48.3	Very low	71 Å²	71	109.5 Å²	109.5	27%	0.268	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-78.6	127.2	-178.9	-65.3	178.5	179.6	140.7	4	108.6	G115 E201 E204	G115-R117 PolarHBondContact O-N 3.49Å; R117-E201 IonicContact CZ-OE2 3.7Å; R117-E201 IonicContact NE-OE2 3.59Å; R117-E201 IonicContact NH2-OE2 2.83Å; R117-E201 PolarHBondContact NH2-OE2 2.83Å; R117-E204 IonicContact CZ-OE1 2.8Å; R117-E204 IonicContact CZ-OE2 2.93Å; R117-E204 VanDerWaalsContact NH1-CD 3.35Å; R117-E204 IonicContact NH1-OE1 2.69Å; R117-E204 PolarHBondContact NH1-OE1 3.42Å; R117-E204 IonicContact NH1-OE2 3.72Å; R117-E204 PolarHBondContact NH1-OE2 3.32Å; R117-E204 IonicContact NH2-OE1 2.86Å; R117-E204 IonicContact NH2-OE2 3.96Å; R117-E204 PolarHBondContact NH2-OE2 3Å
118	G	46.4	Very low	48	Very low	55 Å²	55	105 Å²	105	57%	0.567	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-59.7	159.4	-173.3	0	0	0	0	0	113.4	G120 L121	G118-G120 PolarHBondContact O-N 3.32Å; G118-L121 PolarHBondContact O-N 3.11Å
119	L	40.5	Very low	48.1	Very low	179 Å²	179	108.6 Å²	108.6	94%	0.937	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.9	120.8	-179.7	-71.3	164.7	0	0	0	111.4
120	G	45	Very low	49	Very low	62 Å²	62	101.5 Å²	101.5	64%	0.639	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.8	-4.8	173.1	0	0	0	0	0	117	G118 T122	G118-G120 PolarHBondContact O-N 3.32Å; G120-T122 PolarHBondContact O-N 3.26Å
121	L	42.7	Very low	50.2	Low	116 Å²	116	104.2 Å²	104.2	61%	0.607	58%	0.579	S	S	*	*			trans	-88.9	103	-178.4	-145	88.4	0	0	0	113	Q113 G118	Q113-L121 PolarHBondContact NE2-O 3.23Å; G118-L121 PolarHBondContact O-N 3.11Å
122	T	48.8	Very low	52.1	Low	85 Å²	85	101.8 Å²	101.8	52%	0.521	56%	0.56	S	S	.	*			trans	-102.6	125.5	172.8	42.3	0	0	0	0	111.6	G120 Q124	G120-T122 PolarHBondContact O-N 3.26Å; T122-Q124 PolarHBondContact O-N 2.96Å
123	L	52.3	Low	54	Low	54 Å²	54	100.1 Å²	100.1	28%	0.283	55%	0.546	S	S	.	.			trans	-74.6	109.8	172.6	-71.7	173.8	0	0	0	110.1	G125 F126 L200	L123-G125 PolarHBondContact O-N 3.22Å; L123-F126 HydrophobicContact CB-CB 4.06Å; L123-F126 HydrophobicContact CB-CD2 4.43Å; L123-F126 HydrophobicContact CD1-CD2 4.28Å; L123-F126 PolarHBondContact O-N 3.17Å; L123-F126 VanDerWaalsContact O-N 3.15Å; L123-L200 HydrophobicContact CD1-CD2 4.2Å
124	Q	47.1	Very low	55.7	Low	176 Å²	176	98.2 Å²	98.2	82%	0.822	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-61.3	-29.9	-178.4	-70.5	-179.6	-19	0	0	113.1	T122 F126	T122-Q124 PolarHBondContact O-N 2.96Å; Q124-F126 VanDerWaalsContact C-N 3.32Å; Q124-F126 PolarHBondContact O-N 2.92Å
125	G	48.4	Very low	57.4	Low	40 Å²	40	99 Å²	99	41%	0.412	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-76	-9.3	177.3	0	0	0	0	0	115.9	L123	L123-G125 PolarHBondContact O-N 3.22Å
126	F	52.2	Low	58.9	Low	17 Å²	17	101.3 Å²	101.3	8%	0.075	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-109.8	13.8	-174	-90.1	-101.9	0	0	0	113.8	L123 Q124 V196 L200 H506 V509 M510	L123-F126 HydrophobicContact CB-CB 4.06Å; L123-F126 HydrophobicContact CB-CD2 4.43Å; L123-F126 HydrophobicContact CD1-CD2 4.28Å; L123-F126 PolarHBondContact O-N 3.17Å; L123-F126 VanDerWaalsContact O-N 3.15Å; Q124-F126 VanDerWaalsContact C-N 3.32Å; Q124-F126 PolarHBondContact O-N 2.92Å; F126-V196 HydrophobicContact CE2-CG1 3.77Å; F126-V196 WeakPolarHBondContact CE2-O 3.4Å; F126-V196 HydrophobicContact CZ-CG1 3.78Å; F126-L200 HydrophobicContact CE1-CD1 4.07Å; F126-L200 HydrophobicContact CE2-CD1 3.73Å; F126-L200 HydrophobicContact CE2-CD2 4.31Å; F126-L200 HydrophobicContact CE2-CG 3.6Å; F126-L200 HydrophobicContact CZ-CD1 3.23Å; F126-L200 HydrophobicContact CZ-CD2 4.27Å; F126-L200 HydrophobicContact CZ-CG 3.65Å; F126-H506 AromaticContact CD1-CD2 3.63Å; F126-H506 AromaticContact CD1-NE2 3.37Å; F126-H506 WeakPolarHBondContact CD1-NE2 3.27Å; F126-H506 AromaticContact CE1-CD2 3.1Å; F126-H506 WeakPolarHBondContact CE1-CD2 3.31Å; F126-H506 AromaticContact CE1-NE2 3.4Å; F126-H506 WeakPolarHBondContact CE1-NE2 3.43Å; F126-H506 AromaticContact CZ-CD2 3.56Å; F126-V509 HydrophobicContact CE1-CB 4.36Å; F126-V509 HydrophobicContact CE1-CG1 3.99Å; F126-M510 HydrophobicContact CD1-CG 4.22Å; F126-M510 HydrophobicContact CD1-SD 3.75Å
127	Q	47.3	Very low	60.8	Low	141 Å²	141	92.1 Å²	92.1	66%	0.659	50%	0.503	S	S	*	.	S	Bend	trans	-95	-2.5	-179.8	-67.6	-175.1	-17.5	0	0	114
128	G	49.7	Very low	62.4	Low	50 Å²	50	94.3 Å²	94.3	52%	0.515	53%	0.527	S	S	.	.	S	Bend	trans	-106.9	139	173.8	0	0	0	0	0	111.6	L130	G128-L130 PolarHBondContact O-N 2.94Å
129	E	52.9	Low	64.6	Low	174 Å²	174	98.8 Å²	98.8	81%	0.813	53%	0.533	S	S	*	.			trans	-69.9	125.7	165.3	-66.9	-172.9	157.8	0	0	109.1	N131	E129-N131 PolarHBondContact O-N 2.73Å; E129-N131 PolarHBondContact O-OD1 2.78Å
130	L	64.1	Low	67.1	Low	31 Å²	31	91.3 Å²	91.3	16%	0.162	50%	0.495	C	S	.	.			trans	-65.8	103.4	158.2	-79.9	167.5	0	0	0	106.4	G128 V132 V196 A503 H506	G128-L130 PolarHBondContact O-N 2.94Å; L130-V132 PolarHBondContact O-N 3.05Å; L130-V196 HydrophobicContact CD2-CG2 4.43Å; L130-A503 HydrophobicContact CD1-CB 4.46Å; L130-H506 HydrophobicContact CD1-CB 3.92Å
131	N	67.6	Low	69.5	Low	151 Å²	151	90.6 Å²	90.6	81%	0.807	48%	0.481	S	S	*	.			trans	-69.7	54.3	179.9	-67.2	-18.1	0	0	0	112.1	E129	E129-N131 PolarHBondContact O-N 2.73Å; E129-N131 PolarHBondContact O-OD1 2.78Å
132	V	81.4	Confident	72	Confident	32 Å²	32	85.3 Å²	85.3	19%	0.194	45%	0.453	C	S	.	.			trans	-128.5	112.9	-176	175	0	0	0	0	107.1	L130 W134 I499 K500 A503	L130-V132 PolarHBondContact O-N 3.05Å; V132-W134 PolarHBondContact O-N 2.97Å; V132-W134 VanDerWaalsContact O-N 3.15Å; V132-I499 HydrophobicContact CB-CG2 4.48Å; V132-I499 HydrophobicContact CG1-CG2 3.78Å; V132-I499 HydrophobicContact CG2-CG2 3.86Å; V132-K500 HydrophobicContact CG1-CG 4.33Å; V132-A503 HydrophobicContact CB-CB 3.84Å; V132-A503 HydrophobicContact CG1-CB 3.81Å
133	D	85.4	Confident	74.2	Confident	102 Å²	102	86.3 Å²	86.3	55%	0.545	46%	0.46	S	S	.	.			trans	-76.4	104.1	171.9	-166.4	-2.4	0	0	0	110.2	R135 K500	D133-R135 WeakPolarHBondContact OD1-CB 3.21Å; D133-R135 PolarHBondContact OD1-N 3.04Å; D133-K500 WeakPolarHBondContact O-CE 3.42Å
134	W	87.7	Confident	76.3	Confident	34 Å²	34	85.4 Å²	85.4	13%	0.129	45%	0.454	C	S	.	.			trans	-85.3	-11.8	174.6	60.9	-95.6	0	0	0	113.1	V132 D136 E137 K500 A503 K504 A507 Y508 L514	V132-W134 PolarHBondContact O-N 2.97Å; V132-W134 VanDerWaalsContact O-N 3.15Å; W134-D136 VanDerWaalsContact C-N 3.34Å; W134-E137 WeakPolarHBondContact O-CB 3.44Å; W134-E137 WeakPolarHBondContact O-CG 3.39Å; W134-K500 HydrophobicContact CB-CB 4.39Å; W134-K500 WeakPolarHBondContact CB-O 3.4Å; W134-A503 HydrophobicContact CB-CB 4.45Å; W134-K504 HydrophobicContact CB-CB 4.06Å; W134-K504 HydrophobicContact CD2-CB 3.92Å; W134-K504 HydrophobicContact CD2-CG 3.9Å; W134-K504 HydrophobicContact CE3-CB 4.07Å; W134-K504 HydrophobicContact CE3-CD 3.85Å; W134-K504 HydrophobicContact CE3-CG 3.61Å; W134-K504 HydrophobicContact CG-CB 3.93Å; W134-K504 HydrophobicContact CG-CG 4.44Å; W134-K504 HydrophobicContact CZ3-CD 4.2Å; W134-K504 HydrophobicContact CZ3-CG 3.96Å; W134-A507 HydrophobicContact CZ2-CB 3.85Å; W134-Y508 AromaticContact CH2-CE2 3.98Å; W134-Y508 HydrophobicContact CH2-CE2 3.98Å; W134-Y508 HydrophobicContact CZ3-CE2 4.33Å; W134-L514 HydrophobicContact CZ2-CD1 4.35Å
135	R	87.4	Confident	78.6	Confident	182 Å²	182	85.7 Å²	85.7	69%	0.687	45%	0.453	S	S	*	.	S	Bend	trans	-78.3	-21.1	-176.9	-62.2	176.7	176.8	147.6	-2	112.8	D133 E137	D133-R135 WeakPolarHBondContact OD1-CB 3.21Å; D133-R135 PolarHBondContact OD1-N 3.04Å; R135-E137 PolarHBondContact O-N 3.44Å
136	D	87.1	Confident	80.9	Confident	116 Å²	116	85.5 Å²	85.5	62%	0.62	44%	0.443	S	S	*	.	S	Bend	trans	-75.8	44.4	166.1	179.1	57.9	0	0	0	111.4	W134 K500	W134-D136 VanDerWaalsContact C-N 3.34Å; D136-K500 PolarHBondContact O-NZ 3.34Å; D136-K500 IonicContact OD2-NZ 2.72Å; D136-K500 PolarHBondContact OD2-NZ 2.81Å
137	E	88	Confident	83	Confident	66 Å²	66	89.9 Å²	89.9	31%	0.308	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-99.8	144.1	171.9	68.3	-171.4	152.4	0	0	109.9	W134 R135 K504	W134-E137 WeakPolarHBondContact O-CB 3.44Å; W134-E137 WeakPolarHBondContact O-CG 3.39Å; R135-E137 PolarHBondContact O-N 3.44Å; E137-K504 WeakPolarHBondContact OE1-CD 3.43Å; E137-K504 VanDerWaalsContact OE1-CE 3.27Å; E137-K504 WeakPolarHBondContact OE1-CE 3.47Å; E137-K504 IonicContact OE1-NZ 3.65Å; E137-K504 PolarHBondContact OE1-NZ 3.03Å; E137-K504 IonicContact OE2-NZ 2.91Å; E137-K504 PolarHBondContact OE2-NZ 2.82Å
138	P	88.9	Confident	85.4	Confident	117 Å²	117	86.3 Å²	86.3	76%	0.76	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-63.3	148.4	176.1	28	-35	0	0	0	110.5
139	E	91.8	Very high	87.7	Confident	150 Å²	150	84 Å²	84	70%	0.701	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-55	134.9	177.5	-74.1	-158.1	163.6	0	0	111.6	S141 R518	E139-S141 PolarHBondContact O-N 3.47Å; E139-R518 VanDerWaalsContact CD-NH1 3.34Å; E139-R518 IonicContact OE1-NH1 3.72Å; E139-R518 IonicContact OE2-CZ 2.68Å; E139-R518 IonicContact OE2-NH1 3.56Å; E139-R518 PolarHBondContact OE2-NH1 2.88Å
140	P	93.9	Very high	89.7	Confident	21 Å²	21	77.8 Å²	77.8	14%	0.136	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-58.3	137.6	175.2	-26.2	35.9	0	0	0	112.2	P214 Y215 I522	P140-P214 HydrophobicContact CB-CB 3.69Å; P140-P214 HydrophobicContact CB-CG 3.82Å; P140-P214 HydrophobicContact CG-CB 3.57Å; P140-P214 HydrophobicContact CG-CG 3.6Å; P140-Y215 WeakPolarHBondContact CA-OH 3.45Å; P140-I522 HydrophobicContact CB-CD1 3.54Å; P140-I522 HydrophobicContact CB-CG1 4.48Å; P140-I522 HydrophobicContact CG-CD1 4.37Å
141	S	95.6	Very high	91.1	Very high	48 Å²	48	82 Å²	82	34%	0.336	42%	0.418	S	S	.	.			trans	-142.4	143.6	-172.1	177.4	0	0	0	0	110.8	E139 T143 Y215	E139-S141 PolarHBondContact O-N 3.47Å; S141-T143 PolarHBondContact O-N 2.71Å; S141-T143 PolarHBondContact OG-N 2.94Å; S141-T143 VanDerWaalsContact OG-N 3.07Å; S141-Y215 PolarHBondContact N-OH 3.4Å; S141-Y215 VanDerWaalsContact N-OH 3.11Å; S141-Y215 PolarHBondContact O-OH 2.97Å
142	A	95.2	Very high	92.2	Very high	4 Å²	4	75.8 Å²	75.8	3%	0.033	39%	0.385	C	S	.	.	S	Bend	trans	-73.7	-11.6	170.1	0	0	0	0	0	113.4	E525 C526 L529	A142-E525 HydrophobicContact CB-CB 3.73Å; A142-C526 HydrophobicContact CB-CB 4.46Å; A142-C526 VanDerWaalsContact CB-SG 3.56Å; A142-L529 HydrophobicContact CB-CD2 4.26Å; A142-L529 WeakPolarHBondContact O-CD2 3.38Å
143	T	94.9	Very high	92.5	Very high	107 Å²	107	80.6 Å²	80.6	66%	0.656	42%	0.415	S	S	*	.			trans	-97.2	120.6	179.7	-54.2	0	0	0	0	110.4	S141	S141-T143 PolarHBondContact O-N 2.71Å; S141-T143 PolarHBondContact OG-N 2.94Å; S141-T143 VanDerWaalsContact OG-N 3.07Å
144	E	96.5	Very high	92.7	Very high	35 Å²	35	78.9 Å²	78.9	16%	0.164	41%	0.409	C	S	.	.			trans	-108.4	146.4	-178.9	-70.1	155.6	-88.6	0	0	110.8	N233 F421 P423 V424	E144-N233 VanDerWaalsContact CD-ND2 3.32Å; E144-N233 PolarHBondContact OE1-ND2 3.18Å; E144-N233 PolarHBondContact OE2-ND2 3.35Å; E144-F421 HydrophobicContact CB-CE2 4.2Å; E144-F421 HydrophobicContact CB-CZ 4.14Å; E144-F421 WeakPolarHBondContact OE2-CZ 3.16Å; E144-P423 VanDerWaalsContact OE2-CA 3.27Å; E144-P423 WeakPolarHBondContact OE2-CA 3.41Å; E144-V424 HydrophobicContact CG-CG1 3.69Å; E144-V424 HydrophobicContact CG-CG2 4.47Å; E144-V424 PolarHBondContact OE2-N 3.08Å
145	K	94.2	Very high	92.7	Very high	182 Å²	182	85.6 Å²	85.6	79%	0.791	44%	0.441	S	S	*	.			trans	-93.8	144.2	171.8	-66.2	-177.8	-179.2	178.5	0	109.6
146	V	97.1	Very high	92.7	Very high	35 Å²	35	79 Å²	79	21%	0.212	42%	0.421	C	S	.	.			trans	-117.6	108.2	174.4	177.6	0	0	0	0	108.3	W148 C237 F238 F421	V146-W148 HydrophobicContact CG1-CZ2 4.49Å; V146-C237 HydrophobicContact CG2-CB 4Å; V146-F238 HydrophobicContact CB-CZ 4.43Å; V146-F238 HydrophobicContact CG1-CD1 4.27Å; V146-F238 HydrophobicContact CG1-CE1 3.48Å; V146-F238 VanDerWaalsContact CG1-CE1 3.48Å; V146-F238 HydrophobicContact CG1-CE2 4.14Å; V146-F238 HydrophobicContact CG1-CZ 3.4Å; V146-F238 VanDerWaalsContact CG1-CZ 3.4Å; V146-F238 HydrophobicContact CG2-CD2 4.43Å; V146-F238 HydrophobicContact CG2-CE2 3.99Å; V146-F238 HydrophobicContact CG2-CZ 4.11Å; V146-F421 HydrophobicContact CG2-CD2 4.08Å; V146-F421 HydrophobicContact CG2-CE2 3.93Å
147	D	96.9	Very high	93	Very high	110 Å²	110	73.8 Å²	73.8	59%	0.588	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-90.6	124.5	171.8	-60.4	-55.7	0	0	0	108.8	S419 F486	D147-S419 WeakPolarHBondContact O-CB 3.3Å; D147-S419 PolarHBondContact O-OG 2.78Å; D147-F486 HydrophobicContact CB-CE2 4.26Å; D147-F486 HydrophobicContact CB-CZ 4.17Å
148	W	97.9	Very high	93.2	Very high	65 Å²	65	74.9 Å²	74.9	25%	0.246	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-100.3	149	177.3	-66.5	85.6	0	0	0	109.3	V146 F238 R417 R438 F486	V146-W148 HydrophobicContact CG1-CZ2 4.49Å; W148-F238 AromaticContact CH2-CD1 3.55Å; W148-F238 HydrophobicContact CH2-CD1 3.55Å; W148-F238 AromaticContact CH2-CE1 3.63Å; W148-F238 HydrophobicContact CH2-CE1 3.63Å; W148-F238 AromaticContact CZ2-CD1 3.43Å; W148-F238 HydrophobicContact CZ2-CD1 3.43Å; W148-F238 VanDerWaalsContact CZ2-CD1 3.43Å; W148-F238 AromaticContact CZ2-CE1 3.55Å; W148-F238 HydrophobicContact CZ2-CE1 3.55Å; W148-F238 HydrophobicContact CZ3-CE1 4.24Å; W148-R417 VanDerWaalsContact CB-NH2 3.29Å; W148-R417 HydrophobicContact CD2-CB 4.37Å; W148-R417 HydrophobicContact CE3-CB 3.47Å; W148-R417 VanDerWaalsContact CE3-CB 3.47Å; W148-R417 HydrophobicContact CE3-CG 4.45Å; W148-R417 HydrophobicContact CZ3-CB 3.57Å; W148-R438 HydrophobicContact CH2-CB 3.95Å; W148-R438 HydrophobicContact CZ3-CB 4.05Å; W148-F486 VanDerWaalsContact C-CE2 3.47Å; W148-F486 WeakPolarHBondContact O-CE2 3.3Å
149	F	97.9	Very high	93.4	Very high	1 Å²	1	72.4 Å²	72.4	0%	0.004	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-57.9	156.7	164.4	-74.2	-109.9	0	0	0	110	V408 Y412 R417 I418 L420 F483 F486 M487	F149-V408 HydrophobicContact CZ-CG1 4.15Å; F149-Y412 HydrophobicContact CB-CD2 4.14Å; F149-Y412 HydrophobicContact CB-CE2 4.12Å; F149-Y412 HydrophobicContact CD1-CD2 4.33Å; F149-Y412 HydrophobicContact CG-CD2 4.46Å; F149-R417 PolarHBondContact O-NE 3.1Å; F149-R417 PolarHBondContact O-NH2 2.87Å; F149-I418 HydrophobicContact CB-CG1 4.02Å; F149-I418 HydrophobicContact CD1-CD1 4.33Å; F149-I418 HydrophobicContact CD2-CD1 3.71Å; F149-I418 HydrophobicContact CD2-CG1 3.56Å; F149-I418 WeakPolarHBondContact CD2-O 3.41Å; F149-I418 HydrophobicContact CE1-CD1 4.34Å; F149-I418 HydrophobicContact CE2-CD1 3.71Å; F149-I418 HydrophobicContact CE2-CG1 4.07Å; F149-I418 HydrophobicContact CG-CD1 4.02Å; F149-I418 HydrophobicContact CG-CG1 3.8Å; F149-I418 HydrophobicContact CZ-CD1 4.03Å; F149-I418 PolarHBondContact N-O 3.09Å; F149-L420 HydrophobicContact CE2-CD1 4.23Å; F149-L420 HydrophobicContact CE2-CG 3.96Å; F149-L420 HydrophobicContact CZ-CD1 4.07Å; F149-L420 HydrophobicContact CZ-CG 4.28Å; F149-F483 AromaticContact CD1-CD2 3.58Å; F149-F483 HydrophobicContact CD1-CD2 3.58Å; F149-F483 AromaticContact CD1-CE2 3.91Å; F149-F483 HydrophobicContact CD1-CE2 3.91Å; F149-F483 HydrophobicContact CD1-CG 4.43Å; F149-F483 AromaticContact CE1-CD2 3.48Å; F149-F483 HydrophobicContact CE1-CD2 3.48Å; F149-F483 VanDerWaalsContact CE1-CD2 3.48Å; F149-F483 AromaticContact CE1-CE2 3.41Å; F149-F483 HydrophobicContact CE1-CE2 3.41Å; F149-F483 VanDerWaalsContact CE1-CE2 3.41Å; F149-F483 HydrophobicContact CE1-CG 4.27Å; F149-F483 HydrophobicContact CE1-CZ 4.15Å; F149-F483 HydrophobicContact CZ-CE2 4.17Å; F149-F486 HydrophobicContact CD1-CB 3.96Å; F149-F486 AromaticContact CD1-CD1 3.59Å; F149-F486 HydrophobicContact CD1-CD1 3.59Å; F149-F486 HydrophobicContact CD1-CE1 4.29Å; F149-F486 AromaticContact CD1-CG 3.82Å; F149-F486 HydrophobicContact CD1-CG 3.82Å; F149-F486 AromaticContact CD2-CD1 3.62Å; F149-F486 HydrophobicContact CD2-CD1 3.62Å; F149-F486 AromaticContact CD2-CE1 3.43Å; F149-F486 HydrophobicContact CD2-CE1 3.43Å; F149-F486 VanDerWaalsContact CD2-CE1 3.43Å; F149-F486 HydrophobicContact CD2-CG 4.33Å; F149-F486 HydrophobicContact CD2-CZ 4.01Å; F149-F486 HydrophobicContact CE1-CB 4.08Å; F149-F486 AromaticContact CE1-CD1 3.4Å; F149-F486 HydrophobicContact CE1-CD1 3.4Å; F149-F486 HydrophobicContact CE1-CE1 4.16Å; F149-F486 AromaticContact CE1-CG 3.99Å; F149-F486 HydrophobicContact CE1-CG 3.99Å; F149-F486 AromaticContact CE2-CD1 3.44Å; F149-F486 HydrophobicContact CE2-CD1 3.44Å; F149-F486 VanDerWaalsContact CE2-CD1 3.44Å; F149-F486 AromaticContact CE2-CE1 3.29Å; F149-F486 HydrophobicContact CE2-CE1 3.29Å; F149-F486 HydrophobicContact CE2-CG 4.5Å; F149-F486 HydrophobicContact CE2-CZ 4.26Å; F149-F486 AromaticContact CG-CD1 3.72Å; F149-F486 HydrophobicContact CG-CD1 3.72Å; F149-F486 AromaticContact CG-CE1 3.97Å; F149-F486 HydrophobicContact CG-CE1 3.97Å; F149-F486 HydrophobicContact CG-CG 4.01Å; F149-F486 HydrophobicContact CG-CZ 4.47Å; F149-F486 AromaticContact CZ-CD1 3.34Å; F149-F486 HydrophobicContact CZ-CD1 3.34Å; F149-F486 AromaticContact CZ-CE1 3.69Å; F149-F486 HydrophobicContact CZ-CE1 3.69Å; F149-F486 HydrophobicContact CZ-CG 4.35Å; F149-M487 HydrophobicContact CE1-CG 4Å; F149-M487 HydrophobicContact CE1-SD 4.01Å; F149-M487 HydrophobicContact CZ-CG 4.23Å; F149-M487 HydrophobicContact CZ-SD 3.63Å
150	P	95.2	Very high	93.3	Very high	44 Å²	44	70.1 Å²	70.1	29%	0.286	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-49.2	162.6	161.4	-28.3	39	0	0	0	112	Y412 D482	P150-Y412 WeakPolarHBondContact O-CE2 3.23Å; P150-D482 HydrophobicContact CB-CB 4.32Å; P150-D482 HydrophobicContact CG-CB 4.06Å
151	E	92.3	Very high	93.3	Very high	121 Å²	121	73.6 Å²	73.6	57%	0.565	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-78.1	125.1	175	-83.6	170.6	-158.6	0	0	110	T153 R417	E151-T153 PolarHBondContact O-N 3Å; E151-T153 VanDerWaalsContact O-N 3.07Å; E151-R417 WeakPolarHBondContact OE1-CD 3.25Å; E151-R417 IonicContact OE1-CZ 3.85Å; E151-R417 IonicContact OE1-NE 3.64Å; E151-R417 IonicContact OE1-NH1 2.65Å; E151-R417 PolarHBondContact OE1-NH1 2.92Å
152	C	91.1	Very high	93.2	Very high	19 Å²	19	71.3 Å²	71.3	13%	0.128	38%	0.382	C	S	.	.			trans	-62.2	109.8	178.2	176.3	0	0	0	0	110.5	T154 Y412	C152-T154 PolarHBondContact SG-O 2.96Å; C152-Y412 WeakPolarHBondContact CA-OH 3.22Å; C152-Y412 HydrophobicContact CB-CD1 3.9Å; C152-Y412 HydrophobicContact CB-CD2 4.19Å; C152-Y412 HydrophobicContact CB-CE1 3.56Å; C152-Y412 HydrophobicContact CB-CE2 3.88Å; C152-Y412 HydrophobicContact CB-CG 4.2Å; C152-Y412 WeakPolarHBondContact CB-O 3.45Å
153	T	88.1	Confident	93	Very high	134 Å²	134	76.9 Å²	76.9	82%	0.822	40%	0.402	S	S	*	.			trans	-86.4	-20.4	175.8	55.3	0	0	0	0	112.9	E151	E151-T153 PolarHBondContact O-N 3Å; E151-T153 VanDerWaalsContact O-N 3.07Å
154	T	88.4	Confident	92.9	Very high	66 Å²	66	77.1 Å²	77.1	41%	0.405	40%	0.399	S	S	.	.	S	Bend	trans	-66.6	137.9	175.1	-47.2	0	0	0	0	110.8	C152 L413	C152-T154 PolarHBondContact SG-O 2.96Å; T154-L413 HydrophobicContact CG2-CD2 4.12Å
155	E	87.7	Confident	92.9	Very high	175 Å²	175	76.1 Å²	76.1	82%	0.818	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-69.4	153.7	173.5	-64.4	-167.7	162	0	0	111
156	T	88.8	Confident	93	Very high	43 Å²	43	69.9 Å²	69.9	26%	0.264	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-68.3	124.6	177.3	-51.5	0	0	0	0	109.5	V447	T156-V447 HydrophobicContact CG2-CG2 3.93Å
157	P	91.6	Very high	93	Very high	6 Å²	6	70.5 Å²	70.5	4%	0.039	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-65.9	146.4	-174.3	29.1	-39	0	0	0	111.9	E161 L162 W165 L413 V447	P157-E161 WeakPolarHBondContact CA-OE2 3.38Å; P157-E161 HydrophobicContact CB-CB 4.37Å; P157-E161 HydrophobicContact CB-CG 4.1Å; P157-E161 WeakPolarHBondContact CB-OE2 3.4Å; P157-L162 HydrophobicContact CB-CD2 4.13Å; P157-L162 HydrophobicContact CB-CG 4.02Å; P157-L162 HydrophobicContact CG-CD1 4.22Å; P157-L162 HydrophobicContact CG-CD2 3.72Å; P157-L162 HydrophobicContact CG-CG 3.97Å; P157-W165 HydrophobicContact CB-CH2 3.99Å; P157-W165 HydrophobicContact CB-CZ2 4.07Å; P157-W165 HydrophobicContact CG-CH2 3.73Å; P157-W165 HydrophobicContact CG-CZ2 4.32Å; P157-W165 HydrophobicContact CG-CZ3 4.17Å; P157-L413 HydrophobicContact CG-CD1 4.03Å; P157-V447 HydrophobicContact CG-CG2 4.26Å
158	D	92.8	Very high	93	Very high	90 Å²	90	68.9 Å²	68.9	48%	0.481	36%	0.364	S	S	.	.			trans	-85.4	-179.9	-178.1	78.6	21.5	0	0	0	113.2	D160 E161 L162	D158-D160 VanDerWaalsContact C-N 3.3Å; D158-D160 PolarHBondContact O-N 2.87Å; D158-D160 WeakPolarHBondContact OD1-CA 3.35Å; D158-D160 WeakPolarHBondContact OD1-CB 3.3Å; D158-D160 PolarHBondContact OD1-N 2.56Å; D158-E161 PolarHBondContact OD1-N 3.14Å; D158-L162 VanDerWaalsContact O-CB 3.26Å; D158-L162 WeakPolarHBondContact O-CB 3.21Å; D158-L162 WeakPolarHBondContact O-CD1 3.44Å; D158-L162 WeakPolarHBondContact O-CG 3.27Å; D158-L162 PolarHBondContact O-N 3.31Å
159	A	92.4	Very high	92.8	Very high	65 Å²	65	66.4 Å²	66.4	54%	0.537	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.7	-177.4	0	0	0	0	0	114.1	R163	A159-R163 PolarHBondContact O-N 3.05Å
160	D	91.7	Very high	92.8	Very high	101 Å²	101	71.1 Å²	71.1	54%	0.54	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-42.4	177.4	-81	-48.5	0	0	0	110.6	D158 R163	D158-D160 VanDerWaalsContact C-N 3.3Å; D158-D160 PolarHBondContact O-N 2.87Å; D158-D160 WeakPolarHBondContact OD1-CA 3.35Å; D158-D160 WeakPolarHBondContact OD1-CB 3.3Å; D158-D160 PolarHBondContact OD1-N 2.56Å; D160-R163 VanDerWaalsContact O-CB 3.31Å; D160-R163 WeakPolarHBondContact O-CB 3.31Å; D160-R163 PolarHBondContact O-N 2.9Å; D160-R163 PolarHBondContact O-NH2 3.43Å; D160-R163 VanDerWaalsContact O-NH2 3.09Å; D160-R163 IonicContact OD1-CZ 3.93Å; D160-R163 IonicContact OD1-NH1 3.08Å; D160-R163 PolarHBondContact OD1-NH1 3.26Å; D160-R163 IonicContact OD1-NH2 3.96Å
161	E	92.6	Very high	92.8	Very high	95 Å²	95	73.4 Å²	73.4	44%	0.444	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-62.5	-50.3	172.4	-179.2	172.9	-164.7	0	0	111.3	P157 D158 R163 D164 W165	P157-E161 WeakPolarHBondContact CA-OE2 3.38Å; P157-E161 HydrophobicContact CB-CB 4.37Å; P157-E161 HydrophobicContact CB-CG 4.1Å; P157-E161 WeakPolarHBondContact CB-OE2 3.4Å; D158-E161 PolarHBondContact OD1-N 3.14Å; E161-R163 PolarHBondContact O-N 3.39Å; E161-D164 PolarHBondContact O-N 3.33Å; E161-W165 HydrophobicContact CG-CZ2 3.9Å; E161-W165 PolarHBondContact O-NE1 3.31Å; E161-W165 WeakPolarHBondContact OE1-CZ2 3.38Å
162	L	94.6	Very high	92.9	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-67.7	-2.1	177.3	-67.2	172	0	0	0	114.5	P157 D158 W165 L410 A446 V447 Y450 R453	P157-L162 HydrophobicContact CB-CD2 4.13Å; P157-L162 HydrophobicContact CB-CG 4.02Å; P157-L162 HydrophobicContact CG-CD1 4.22Å; P157-L162 HydrophobicContact CG-CD2 3.72Å; P157-L162 HydrophobicContact CG-CG 3.97Å; D158-L162 VanDerWaalsContact O-CB 3.26Å; D158-L162 WeakPolarHBondContact O-CB 3.21Å; D158-L162 WeakPolarHBondContact O-CD1 3.44Å; D158-L162 WeakPolarHBondContact O-CG 3.27Å; D158-L162 PolarHBondContact O-N 3.31Å; L162-W165 HydrophobicContact CD2-CD2 3.91Å; L162-W165 HydrophobicContact CD2-CE3 3.47Å; L162-W165 VanDerWaalsContact CD2-CE3 3.47Å; L162-W165 HydrophobicContact CD2-CH2 4.26Å; L162-W165 HydrophobicContact CD2-CZ3 3.67Å; L162-L410 HydrophobicContact CD2-CD2 4.24Å; L162-A446 HydrophobicContact CD1-CB 3.97Å; L162-V447 HydrophobicContact CD1-CB 4.43Å; L162-V447 HydrophobicContact CD1-CG2 3.83Å; L162-Y450 HydrophobicContact CB-CD1 4.46Å; L162-Y450 HydrophobicContact CB-CD2 4.4Å; L162-Y450 HydrophobicContact CB-CG 4.09Å; L162-Y450 HydrophobicContact CD2-CD1 3.82Å; L162-Y450 HydrophobicContact CD2-CE1 4.21Å; L162-Y450 HydrophobicContact CD2-CG 4.28Å; L162-Y450 VanDerWaalsContact O-CD2 3.27Å; L162-Y450 WeakPolarHBondContact O-CD2 3.34Å; L162-Y450 WeakPolarHBondContact O-CE2 3.41Å; L162-R453 PolarHBondContact O-NH2 2.68Å
163	R	90.6	Very high	93.1	Very high	121 Å²	121	74.5 Å²	74.5	46%	0.457	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-71.1	-39.8	174.3	-178	-177.3	50.5	-106.9	-21.8	110.9	A159 D160 E161	A159-R163 PolarHBondContact O-N 3.05Å; D160-R163 VanDerWaalsContact O-CB 3.31Å; D160-R163 WeakPolarHBondContact O-CB 3.31Å; D160-R163 PolarHBondContact O-N 2.9Å; D160-R163 PolarHBondContact O-NH2 3.43Å; D160-R163 VanDerWaalsContact O-NH2 3.09Å; D160-R163 IonicContact OD1-CZ 3.93Å; D160-R163 IonicContact OD1-NH1 3.08Å; D160-R163 PolarHBondContact OD1-NH1 3.26Å; D160-R163 IonicContact OD1-NH2 3.96Å; E161-R163 PolarHBondContact O-N 3.39Å
164	D	91.9	Very high	93.3	Very high	111 Å²	111	73.6 Å²	73.6	59%	0.594	38%	0.382	S	S	*	.	S	Bend	trans	-103.1	3.5	-163.3	-55.2	-38.2	0	0	0	112.3	E161	E161-D164 PolarHBondContact O-N 3.33Å
165	W	96.7	Very high	93.7	Very high	14 Å²	14	70.9 Å²	70.9	5%	0.053	36%	0.364	C	S	.	.			trans	-81	-17	-179.6	-78.3	23.3	0	0	0	115.9	P157 E161 L162 V167 L410 L413 V472 P473 I476	P157-W165 HydrophobicContact CB-CH2 3.99Å; P157-W165 HydrophobicContact CB-CZ2 4.07Å; P157-W165 HydrophobicContact CG-CH2 3.73Å; P157-W165 HydrophobicContact CG-CZ2 4.32Å; P157-W165 HydrophobicContact CG-CZ3 4.17Å; E161-W165 HydrophobicContact CG-CZ2 3.9Å; E161-W165 PolarHBondContact O-NE1 3.31Å; E161-W165 WeakPolarHBondContact OE1-CZ2 3.38Å; L162-W165 HydrophobicContact CD2-CD2 3.91Å; L162-W165 HydrophobicContact CD2-CE3 3.47Å; L162-W165 VanDerWaalsContact CD2-CE3 3.47Å; L162-W165 HydrophobicContact CD2-CH2 4.26Å; L162-W165 HydrophobicContact CD2-CZ3 3.67Å; W165-V167 PolarHBondContact O-N 3.34Å; W165-L410 HydrophobicContact CE3-CD2 4.23Å; W165-L410 HydrophobicContact CZ3-CD2 3.76Å; W165-L413 HydrophobicContact CH2-CD1 4.16Å; W165-L413 HydrophobicContact CZ3-CD1 4.33Å; W165-V472 HydrophobicContact CD2-CG1 4.43Å; W165-V472 HydrophobicContact CE3-CB 4.07Å; W165-V472 HydrophobicContact CE3-CG1 3.86Å; W165-V472 HydrophobicContact CE3-CG2 3.73Å; W165-V472 HydrophobicContact CH2-CG1 4.3Å; W165-V472 HydrophobicContact CZ3-CB 4.27Å; W165-V472 HydrophobicContact CZ3-CG1 3.78Å; W165-V472 HydrophobicContact CZ3-CG2 3.74Å; W165-P473 HydrophobicContact CB-CG 4.41Å; W165-P473 HydrophobicContact CG-CG 4.31Å; W165-I476 HydrophobicContact CD2-CD1 4.42Å; W165-I476 HydrophobicContact CZ2-CD1 3.89Å; W165-I476 HydrophobicContact CZ2-CG2 4.41Å
166	L	96.3	Very high	94	Very high	51 Å²	51	67 Å²	67	27%	0.267	35%	0.346	S	S	.	.			trans	-81.9	116.9	-176.4	175.2	134.4	0	0	0	110.9	L168 Y450 V454 V468	L166-L168 HydrophobicContact CD2-CD2 3.85Å; L166-L168 HydrophobicContact CD2-CG 3.94Å; L166-Y450 WeakPolarHBondContact CA-OH 3.37Å; L166-Y450 HydrophobicContact CB-CE2 4.16Å; L166-Y450 PolarHBondContact N-OH 3.34Å; L166-V454 HydrophobicContact CD1-CB 4.33Å; L166-V454 HydrophobicContact CD1-CG1 4.18Å; L166-V454 HydrophobicContact CD1-CG2 3.91Å; L166-V468 HydrophobicContact CD1-CG1 3.95Å; L166-V468 HydrophobicContact CD1-CG2 4.07Å; L166-V468 HydrophobicContact CG-CG1 4.12Å
167	V	96.6	Very high	94.4	Very high	48 Å²	48	68.9 Å²	68.9	29%	0.291	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.5	176.1	-170.2	0	0	0	0	110.2	W165 V468 T469 E470	W165-V167 PolarHBondContact O-N 3.34Å; V167-V468 WeakPolarHBondContact O-CA 3.34Å; V167-T469 PolarHBondContact O-N 3.12Å; V167-T469 PolarHBondContact O-OG1 3.49Å; V167-E470 HydrophobicContact CB-CB 3.9Å; V167-E470 HydrophobicContact CG2-CB 3.87Å; V167-E470 PolarHBondContact N-O 3.22Å
168	L	96.9	Very high	94.7	Very high	77 Å²	77	69.5 Å²	69.5	40%	0.403	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136	171.3	-62.1	-179.8	0	0	0	109.7	L166 K457 L461 D467 V468	L166-L168 HydrophobicContact CD2-CD2 3.85Å; L166-L168 HydrophobicContact CD2-CG 3.94Å; L168-K457 HydrophobicContact CD2-CG 4.25Å; L168-L461 HydrophobicContact CD2-CD1 3.85Å; L168-D467 WeakPolarHBondContact CA-O 3.32Å; L168-V468 HydrophobicContact CD2-CB 4.45Å; L168-V468 HydrophobicContact CD2-CG2 3.82Å
169	G	95.6	Very high	94.9	Very high	13 Å²	13	67.8 Å²	67.8	13%	0.134	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	179.7	176.4	0	0	0	0	0	112	N466 D467	G169-N466 CarbonylContact O-C 3.55Å; G169-N466 VanDerWaalsContact O-CA 3.23Å; G169-N466 WeakPolarHBondContact O-CA 3.31Å; G169-D467 PolarHBondContact N-O 3.06Å; G169-D467 PolarHBondContact O-N 2.9Å
170	P	96.6	Very high	95.2	Very high	100 Å²	100	68.1 Å²	68.1	65%	0.649	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	143.9	171.8	28.6	-34.4	0	0	0	110.3	K172 D465	P170-K172 PolarHBondContact O-N 3.12Å; P170-K172 VanDerWaalsContact O-N 3.08Å; P170-D465 CarbonylContact C-O 3.59Å; P170-D465 WeakPolarHBondContact CA-O 3.47Å
171	R	95.9	Very high	95.5	Very high	91 Å²	91	63.3 Å²	63.3	34%	0.343	32%	0.315	S	S	.	.			trans	-63.4	109.9	177	177.5	-178.9	-69.8	-88.9	-6.9	109.6	L461 R462 R464 D465 D467	R171-L461 PolarHBondContact NH2-O 2.9Å; R171-R462 PolarHBondContact NH2-O 3Å; R171-R464 PolarHBondContact NE-O 3.12Å; R171-R464 PolarHBondContact NH2-O 2.93Å; R171-D465 WeakPolarHBondContact CB-O 3.35Å; R171-D465 PolarHBondContact N-O 3.34Å; R171-D467 HydrophobicContact CB-CB 4.26Å
172	K	94.7	Very high	95.7	Very high	67 Å²	67	58.9 Å²	58.9	29%	0.291	30%	0.295	S	S	.	.			trans	-95.6	127.3	177.8	-171.1	177.4	175	-170.8	0	110.1	P170 K174 D177 E178 I369	P170-K172 PolarHBondContact O-N 3.12Å; P170-K172 VanDerWaalsContact O-N 3.08Å; K172-K174 WeakPolarHBondContact CE-O 3.37Å; K172-K174 HydrophobicContact CG-CB 4.28Å; K172-D177 VanDerWaalsContact CE-CG 3.43Å; K172-D177 WeakPolarHBondContact CE-OD1 3.48Å; K172-D177 WeakPolarHBondContact CE-OD2 3.41Å; K172-D177 IonicContact NZ-OD1 3.77Å; K172-D177 PolarHBondContact NZ-OD1 3.38Å; K172-D177 IonicContact NZ-OD2 3.38Å; K172-D177 PolarHBondContact NZ-OD2 3.15Å; K172-E178 WeakPolarHBondContact CD-OE1 3.31Å; K172-E178 VanDerWaalsContact CE-OE1 3.23Å; K172-E178 WeakPolarHBondContact CE-OE1 3.38Å; K172-E178 VanDerWaalsContact NZ-CD 3.25Å; K172-E178 IonicContact NZ-OE1 3.94Å; K172-E178 PolarHBondContact NZ-OE1 3.44Å; K172-E178 IonicContact NZ-OE2 2.71Å; K172-I369 WeakPolarHBondContact O-CG2 3.47Å
173	L	93.8	Very high	95.8	Very high	96 Å²	96	62.6 Å²	62.6	50%	0.503	32%	0.317	S	S	.	.			trans	-120.6	37.9	173.8	-63.3	178.3	0	0	0	110.6	I369	L173-I369 HydrophobicContact CD2-CG2 3.99Å
174	K	93.7	Very high	96.1	Very high	115 Å²	115	62.4 Å²	62.4	50%	0.5	32%	0.321	S	S	.	.			trans	-129.2	138.9	179.6	-73.5	-175.7	161.9	-137.1	0	108.5	K172 E176 I369	K172-K174 WeakPolarHBondContact CE-O 3.37Å; K172-K174 HydrophobicContact CG-CB 4.28Å; K174-E176 WeakPolarHBondContact CD-OE1 3.46Å; K174-E176 WeakPolarHBondContact CE-OE1 3.37Å; K174-E176 IonicContact NZ-OE1 2.64Å; K174-E176 PolarHBondContact NZ-OE1 3.39Å; K174-I369 WeakPolarHBondContact O-CD1 3.29Å
175	I	96	Very high	96.2	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.046	33%	0.327	C	S	.	.			trans	-114.3	-12.6	177.8	-158.6	79.4	0	0	0	112	D177 E178 L191 N365 I366 I369 F400 T401	I175-D177 PolarHBondContact O-N 3.42Å; I175-D177 VanDerWaalsContact O-N 3.16Å; I175-E178 HydrophobicContact CD1-CB 4.42Å; I175-E178 HydrophobicContact CD1-CG 4.05Å; I175-E178 HydrophobicContact CG1-CG 4.48Å; I175-E178 PolarHBondContact O-N 3.07Å; I175-L191 HydrophobicContact CG2-CD1 3.9Å; I175-L191 HydrophobicContact CG2-CD2 3.63Å; I175-L191 HydrophobicContact CG2-CG 4.43Å; I175-N365 HydrophobicContact CG2-CB 4.45Å; I175-N365 WeakPolarHBondContact CG2-O 3.31Å; I175-I366 HydrophobicContact CB-CG2 4.45Å; I175-I369 HydrophobicContact CD1-CD1 4.13Å; I175-I369 HydrophobicContact CD1-CG1 4.19Å; I175-F400 HydrophobicContact CD1-CD2 4.46Å; I175-F400 HydrophobicContact CG1-CD2 4.26Å; I175-T401 HydrophobicContact CD1-CG2 4.13Å
176	E	94.8	Very high	96.1	Very high	94 Å²	94	64.4 Å²	64.4	44%	0.439	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.2	-171.4	64.5	-165.7	173.1	0	0	114.6	K174 H188 L191	K174-E176 WeakPolarHBondContact CD-OE1 3.46Å; K174-E176 WeakPolarHBondContact CE-OE1 3.37Å; K174-E176 IonicContact NZ-OE1 2.64Å; K174-E176 PolarHBondContact NZ-OE1 3.39Å; E176-H188 PolarHBondContact O-CD2 3.05Å; E176-H188 PolarHBondContact O-NE2 3.26Å; E176-L191 HydrophobicContact CB-CD1 4.46Å
177	D	96.1	Very high	96.1	Very high	83 Å²	83	62 Å²	62	44%	0.444	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	10.4	-177.7	62.3	-31.7	0	0	0	112.9	K172 I175 T179	K172-D177 VanDerWaalsContact CE-CG 3.43Å; K172-D177 WeakPolarHBondContact CE-OD1 3.48Å; K172-D177 WeakPolarHBondContact CE-OD2 3.41Å; K172-D177 IonicContact NZ-OD1 3.77Å; K172-D177 PolarHBondContact NZ-OD1 3.38Å; K172-D177 IonicContact NZ-OD2 3.38Å; K172-D177 PolarHBondContact NZ-OD2 3.15Å; I175-D177 PolarHBondContact O-N 3.42Å; I175-D177 VanDerWaalsContact O-N 3.16Å; D177-T179 PolarHBondContact O-N 2.83Å
178	E	97.5	Very high	96	Very high	19 Å²	19	63.3 Å²	63.3	9%	0.089	32%	0.323	C	S	.	.			trans	-82.3	64.3	176.2	-63.7	-69.2	169.1	0	0	111.2	K172 I175 F400 T401 P402	K172-E178 WeakPolarHBondContact CD-OE1 3.31Å; K172-E178 VanDerWaalsContact CE-OE1 3.23Å; K172-E178 WeakPolarHBondContact CE-OE1 3.38Å; K172-E178 VanDerWaalsContact NZ-CD 3.25Å; K172-E178 IonicContact NZ-OE1 3.94Å; K172-E178 PolarHBondContact NZ-OE1 3.44Å; K172-E178 IonicContact NZ-OE2 2.71Å; I175-E178 HydrophobicContact CD1-CB 4.42Å; I175-E178 HydrophobicContact CD1-CG 4.05Å; I175-E178 HydrophobicContact CG1-CG 4.48Å; I175-E178 PolarHBondContact O-N 3.07Å; E178-F400 HydrophobicContact CB-CB 3.83Å; E178-T401 HydrophobicContact CG-CG2 3.95Å; E178-P402 VanDerWaalsContact OE2-CD 3.22Å; E178-P402 WeakPolarHBondContact OE2-CD 3.26Å
179	T	97.8	Very high	95.8	Very high	54 Å²	54	61.4 Å²	61.4	33%	0.331	32%	0.315	S	S	.	.			trans	-98.9	4.7	-171.6	54.6	0	0	0	0	114.5	D177 F181 C182 E184 L187	D177-T179 PolarHBondContact O-N 2.83Å; T179-F181 PolarHBondContact O-N 2.91Å; T179-C182 CarbonylContact C-O 3.6Å; T179-C182 VanDerWaalsContact CA-O 3.3Å; T179-C182 WeakPolarHBondContact CA-O 3.21Å; T179-C182 PolarHBondContact O-N 3.13Å; T179-E184 HydrophobicContact CG2-CB 3.86Å; T179-E184 HydrophobicContact CG2-CG 4.13Å; T179-L187 HydrophobicContact CG2-CD2 3.92Å
180	E	98	Very high	95.8	Very high	71 Å²	71	60.8 Å²	60.8	33%	0.332	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.1	-177.7	-65.8	-66.1	179	0	0	113.9	P402 L474 K478 Y484	E180-P402 HydrophobicContact CG-CG 4.42Å; E180-L474 HydrophobicContact CG-CD2 4.04Å; E180-K478 WeakPolarHBondContact OE2-CE 3.27Å; E180-K478 IonicContact OE2-NZ 3.46Å; E180-K478 PolarHBondContact OE2-NZ 2.69Å; E180-Y484 WeakPolarHBondContact O-CE2 3.43Å; E180-Y484 PolarHBondContact O-OH 3.08Å; E180-Y484 VanDerWaalsContact O-OH 3.07Å
181	F	98.1	Very high	95.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	21.7	-178.9	-56	-86.2	0	0	0	113	T179 P402 V405 L474 I477 Y484 M487 N491	T179-F181 PolarHBondContact O-N 2.91Å; F181-P402 HydrophobicContact CE2-CG 4.36Å; F181-V405 HydrophobicContact CB-CG2 4.4Å; F181-V405 HydrophobicContact CD1-CB 4.48Å; F181-V405 HydrophobicContact CD1-CG1 3.94Å; F181-V405 HydrophobicContact CD1-CG2 4.27Å; F181-V405 HydrophobicContact CD2-CB 4.15Å; F181-V405 HydrophobicContact CD2-CG1 4.47Å; F181-V405 HydrophobicContact CD2-CG2 3.67Å; F181-V405 HydrophobicContact CE1-CB 4.21Å; F181-V405 HydrophobicContact CE1-CG1 3.57Å; F181-V405 HydrophobicContact CE1-CG2 4.47Å; F181-V405 HydrophobicContact CE2-CB 3.88Å; F181-V405 HydrophobicContact CE2-CG1 4.17Å; F181-V405 HydrophobicContact CE2-CG2 3.93Å; F181-V405 HydrophobicContact CG-CB 4.45Å; F181-V405 HydrophobicContact CG-CG1 4.37Å; F181-V405 HydrophobicContact CG-CG2 3.86Å; F181-V405 HydrophobicContact CZ-CB 3.9Å; F181-V405 HydrophobicContact CZ-CG1 3.7Å; F181-V405 HydrophobicContact CZ-CG2 4.31Å; F181-L474 HydrophobicContact CE2-CD1 3.86Å; F181-L474 HydrophobicContact CZ-CD1 3.56Å; F181-I477 HydrophobicContact CE1-CG2 3.79Å; F181-I477 HydrophobicContact CZ-CD1 4.31Å; F181-I477 HydrophobicContact CZ-CG2 3.95Å; F181-Y484 AromaticContact CD1-CD2 3.92Å; F181-Y484 HydrophobicContact CD1-CD2 3.92Å; F181-Y484 AromaticContact CD1-CE2 3.77Å; F181-Y484 HydrophobicContact CD1-CE2 3.77Å; F181-Y484 AromaticContact CE1-CD2 3.64Å; F181-Y484 HydrophobicContact CE1-CD2 3.64Å; F181-Y484 AromaticContact CE1-CE2 3.73Å; F181-Y484 HydrophobicContact CE1-CE2 3.73Å; F181-M487 HydrophobicContact CD1-CB 4.19Å; F181-N491 VanDerWaalsContact O-CB 3.28Å; F181-N491 WeakPolarHBondContact O-CB 3.44Å; F181-N491 PolarHBondContact O-ND2 2.83Å
182	C	97.6	Very high	95.3	Very high	3 Å²	3	60 Å²	60	2%	0.02	29%	0.294	C	S	.	.	S	Bend	trans	-166.2	133.8	178.5	-172.1	0	0	0	0	109.9	T179 F400 N491	T179-C182 CarbonylContact C-O 3.6Å; T179-C182 VanDerWaalsContact CA-O 3.3Å; T179-C182 WeakPolarHBondContact CA-O 3.21Å; T179-C182 PolarHBondContact O-N 3.13Å; C182-F400 HydrophobicContact CB-CD1 3.67Å; C182-F400 HydrophobicContact CB-CE1 3.74Å; C182-N491 HydrophobicContact CB-CB 4.49Å
183	T	97.1	Very high	95	Very high	77 Å²	77	56.8 Å²	56.8	47%	0.472	28%	0.28	S	S	.	.			trans	-57.8	139.7	175.5	40.7	0	0	0	0	113.4	D185 L186 L187 E492	T183-D185 PolarHBondContact O-N 2.9Å; T183-L186 PolarHBondContact O-N 2.95Å; T183-L186 VanDerWaalsContact O-N 3.15Å; T183-L186 WeakPolarHBondContact OG1-CB 3.36Å; T183-L187 PolarHBondContact O-N 3.37Å; T183-E492 VanDerWaalsContact CB-OE1 3.26Å; T183-E492 WeakPolarHBondContact CB-OE1 3.33Å; T183-E492 WeakPolarHBondContact CG2-OE1 3.24Å; T183-E492 PolarHBondContact N-OE1 2.82Å; T183-E492 PolarHBondContact OG1-OE1 3.12Å
184	E	96.7	Very high	94.8	Very high	117 Å²	117	53.4 Å²	53.4	55%	0.547	26%	0.261	S	S	.	.	H	α-helix	trans	-55.1	-50.7	-176.6	-173.2	176.1	-177	0	0	112.7	T179 L186 L187 H188	T179-E184 HydrophobicContact CG2-CB 3.86Å; T179-E184 HydrophobicContact CG2-CG 4.13Å; E184-L186 PolarHBondContact O-N 2.7Å; E184-L187 PolarHBondContact O-N 3.18Å; E184-H188 VanDerWaalsContact CG-CE1 3.5Å; E184-H188 WeakPolarHBondContact CG-CE1 3.46Å; E184-H188 WeakPolarHBondContact O-CB 3.27Å; E184-H188 PolarHBondContact O-CD2 2.97Å; E184-H188 PolarHBondContact O-N 3.22Å; E184-H188 IonicContact OE1-CE1 2.78Å; E184-H188 PolarHBondContact OE1-CE1 2.79Å; E184-H188 IonicContact OE1-NE2 2.73Å
185	D	94.5	Very high	94.4	Very high	135 Å²	135	50.8 Å²	50.8	72%	0.722	26%	0.255	S	S	*	.	H	α-helix	trans	-54.4	-39.7	178.5	-74.6	-35.5	0	0	0	112.6	T183 T189	T183-D185 PolarHBondContact O-N 2.9Å; D185-T189 WeakPolarHBondContact O-CB 3.46Å; D185-T189 PolarHBondContact O-N 3.11Å; D185-T189 PolarHBondContact O-OG1 3.08Å
186	L	94.4	Very high	93.7	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-77.4	-41.6	-176.3	-170.9	65.5	0	0	0	111.3	T183 E184 T189 L190 E492 C495 V496 I499	T183-L186 PolarHBondContact O-N 2.95Å; T183-L186 VanDerWaalsContact O-N 3.15Å; T183-L186 WeakPolarHBondContact OG1-CB 3.36Å; E184-L186 PolarHBondContact O-N 2.7Å; L186-T189 PolarHBondContact O-N 3.23Å; L186-L190 WeakPolarHBondContact O-CB 3.19Å; L186-L190 PolarHBondContact O-N 2.83Å; L186-E492 HydrophobicContact CD2-CB 3.59Å; L186-E492 HydrophobicContact CD2-CG 3.79Å; L186-C495 HydrophobicContact CD1-CB 4.2Å; L186-C495 HydrophobicContact CD2-CB 3.7Å; L186-C495 HydrophobicContact CG-CB 3.66Å; L186-V496 HydrophobicContact CD1-CG2 3.97Å; L186-V496 HydrophobicContact CD2-CG2 4.35Å; L186-I499 HydrophobicContact CD1-CD1 3.59Å; L186-I499 HydrophobicContact CG-CD1 4.4Å
187	L	96.1	Very high	93	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-50	173.4	178.8	59	0	0	0	111.2	T179 T183 E184 T189 L190 L191 F400	T179-L187 HydrophobicContact CG2-CD2 3.92Å; T183-L187 PolarHBondContact O-N 3.37Å; E184-L187 PolarHBondContact O-N 3.18Å; L187-T189 VanDerWaalsContact C-N 3.32Å; L187-T189 PolarHBondContact O-N 2.91Å; L187-L190 PolarHBondContact O-N 3.49Å; L187-L191 HydrophobicContact CD1-CD1 4.05Å; L187-L191 HydrophobicContact CD1-CG 4.23Å; L187-L191 HydrophobicContact CG-CD1 4.02Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.28Å; L187-L191 PolarHBondContact O-N 3.19Å; L187-F400 HydrophobicContact CD1-CD1 4.49Å; L187-F400 HydrophobicContact CD1-CD2 3.77Å; L187-F400 HydrophobicContact CD1-CE1 4.35Å; L187-F400 HydrophobicContact CD1-CE2 3.6Å; L187-F400 HydrophobicContact CD1-CG 4.23Å; L187-F400 HydrophobicContact CD1-CZ 3.92Å
188	H	94.5	Very high	92.1	Very high	76 Å²	76	48.1 Å²	48.1	35%	0.352	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-38.6	178.1	-71.3	-169.3	0	0	0	111.7	E176 E184 L191 R192	E176-H188 PolarHBondContact O-CD2 3.05Å; E176-H188 PolarHBondContact O-NE2 3.26Å; E184-H188 VanDerWaalsContact CG-CE1 3.5Å; E184-H188 WeakPolarHBondContact CG-CE1 3.46Å; E184-H188 WeakPolarHBondContact O-CB 3.27Å; E184-H188 PolarHBondContact O-CD2 2.97Å; E184-H188 PolarHBondContact O-N 3.22Å; E184-H188 IonicContact OE1-CE1 2.78Å; E184-H188 PolarHBondContact OE1-CE1 2.79Å; E184-H188 IonicContact OE1-NE2 2.73Å; H188-L191 PolarHBondContact O-N 3.02Å; H188-R192 VanDerWaalsContact O-CB 3.3Å; H188-R192 WeakPolarHBondContact O-CB 3.26Å; H188-R192 PolarHBondContact O-N 3.08Å
189	T	92.9	Very high	90.9	Very high	38 Å²	38	52.7 Å²	52.7	23%	0.233	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-43.3	174.4	-64.7	0	0	0	0	111.6	D185 L186 L187 C193 I499	D185-T189 WeakPolarHBondContact O-CB 3.46Å; D185-T189 PolarHBondContact O-N 3.11Å; D185-T189 PolarHBondContact O-OG1 3.08Å; L186-T189 PolarHBondContact O-N 3.23Å; L187-T189 VanDerWaalsContact C-N 3.32Å; L187-T189 PolarHBondContact O-N 2.91Å; T189-C193 WeakPolarHBondContact O-CB 3.06Å; T189-C193 PolarHBondContact O-N 2.8Å; T189-C193 PolarHBondContact O-SG 3.5Å; T189-I499 HydrophobicContact CG2-CD1 3.8Å; T189-I499 HydrophobicContact CG2-CG1 4.23Å; T189-I499 HydrophobicContact CG2-CG2 4.17Å
190	L	94.1	Very high	89.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-50	176	176.4	62	0	0	0	111.7	L186 L187 R192 C193 K194 F400 C495 Q498 I499 L502	L186-L190 WeakPolarHBondContact O-CB 3.19Å; L186-L190 PolarHBondContact O-N 2.83Å; L187-L190 PolarHBondContact O-N 3.49Å; L190-R192 VanDerWaalsContact C-N 3.33Å; L190-R192 PolarHBondContact O-N 3.21Å; L190-C193 WeakPolarHBondContact O-CB 3.49Å; L190-C193 PolarHBondContact O-N 2.88Å; L190-C193 VanDerWaalsContact O-N 3.08Å; L190-K194 HydrophobicContact CD1-CG 4.45Å; L190-K194 HydrophobicContact CG-CD 4.44Å; L190-K194 PolarHBondContact O-N 2.75Å; L190-F400 HydrophobicContact CD2-CE2 4.46Å; L190-F400 HydrophobicContact CD2-CZ 4.12Å; L190-C495 HydrophobicContact CD2-CB 4.34Å; L190-Q498 HydrophobicContact CD1-CB 3.63Å; L190-I499 HydrophobicContact CB-CD1 4.07Å; L190-I499 HydrophobicContact CB-CG1 4.03Å; L190-I499 HydrophobicContact CD1-CG1 4.02Å; L190-L502 HydrophobicContact CD1-CD1 3.91Å
191	L	92.8	Very high	88.7	Confident	20 Å²	20	53.2 Å²	53.2	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-43.3	-180	-66.9	169.9	0	0	0	111.4	I175 E176 L187 H188 C193 K194 T195 N365	I175-L191 HydrophobicContact CG2-CD1 3.9Å; I175-L191 HydrophobicContact CG2-CD2 3.63Å; I175-L191 HydrophobicContact CG2-CG 4.43Å; E176-L191 HydrophobicContact CB-CD1 4.46Å; L187-L191 HydrophobicContact CD1-CD1 4.05Å; L187-L191 HydrophobicContact CD1-CG 4.23Å; L187-L191 HydrophobicContact CG-CD1 4.02Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.28Å; L187-L191 PolarHBondContact O-N 3.19Å; H188-L191 PolarHBondContact O-N 3.02Å; L191-C193 VanDerWaalsContact C-N 3.35Å; L191-C193 PolarHBondContact O-N 3.24Å; L191-K194 PolarHBondContact O-N 3.29Å; L191-T195 PolarHBondContact O-N 3.33Å; L191-N365 HydrophobicContact CD2-CB 3.94Å
192	R	90.1	Very high	87.7	Confident	154 Å²	154	54.9 Å²	54.9	58%	0.581	29%	0.285	S	S	*	.	H	α-helix	trans	-59.9	-43.1	172.6	-176.3	180	64	-162.1	-6.9	111.8	H188 L190 K194 T195 V196	H188-R192 VanDerWaalsContact O-CB 3.3Å; H188-R192 WeakPolarHBondContact O-CB 3.26Å; H188-R192 PolarHBondContact O-N 3.08Å; L190-R192 VanDerWaalsContact C-N 3.33Å; L190-R192 PolarHBondContact O-N 3.21Å; R192-K194 VanDerWaalsContact C-N 3.33Å; R192-K194 PolarHBondContact O-N 3.2Å; R192-T195 PolarHBondContact O-N 2.91Å; R192-V196 WeakPolarHBondContact O-CG2 3.21Å; R192-V196 PolarHBondContact O-N 3.36Å
193	C	89.3	Confident	87	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-35.5	177.5	-68	0	0	0	0	112.5	T189 L190 L191 F197 L502	T189-C193 WeakPolarHBondContact O-CB 3.06Å; T189-C193 PolarHBondContact O-N 2.8Å; T189-C193 PolarHBondContact O-SG 3.5Å; L190-C193 WeakPolarHBondContact O-CB 3.49Å; L190-C193 PolarHBondContact O-N 2.88Å; L190-C193 VanDerWaalsContact O-N 3.08Å; L191-C193 VanDerWaalsContact C-N 3.35Å; L191-C193 PolarHBondContact O-N 3.24Å; C193-F197 WeakPolarHBondContact O-CD2 3.39Å; C193-F197 VanDerWaalsContact O-CE2 3.25Å; C193-F197 WeakPolarHBondContact O-CE2 3.43Å; C193-L502 HydrophobicContact CB-CB 4.09Å; C193-L502 HydrophobicContact CB-CD1 3.78Å
194	K	88.6	Confident	86.4	Confident	24 Å²	24	56.6 Å²	56.6	10%	0.104	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-50.9	173.1	-70	176.8	176	-177.5	0	110.5	L190 L191 R192 V196 F197 N365 D398 S431 L502	L190-K194 HydrophobicContact CD1-CG 4.45Å; L190-K194 HydrophobicContact CG-CD 4.44Å; L190-K194 PolarHBondContact O-N 2.75Å; L191-K194 PolarHBondContact O-N 3.29Å; R192-K194 VanDerWaalsContact C-N 3.33Å; R192-K194 PolarHBondContact O-N 3.2Å; K194-V196 VanDerWaalsContact C-N 3.26Å; K194-V196 PolarHBondContact O-N 3.15Å; K194-V196 VanDerWaalsContact O-N 3.16Å; K194-F197 WeakPolarHBondContact O-CB 3.36Å; K194-F197 WeakPolarHBondContact O-CD2 3.39Å; K194-F197 PolarHBondContact O-N 3.36Å; K194-N365 WeakPolarHBondContact CB-OD1 3.34Å; K194-N365 WeakPolarHBondContact CD-OD1 3.15Å; K194-D398 IonicContact NZ-OD1 2.67Å; K194-D398 IonicContact NZ-OD2 3.75Å; K194-D398 PolarHBondContact NZ-OD2 3.1Å; K194-S431 PolarHBondContact NZ-OG 3.14Å; K194-L502 HydrophobicContact CG-CD1 3.94Å
195	T	85.8	Confident	85.9	Confident	60 Å²	60	53.7 Å²	53.7	37%	0.368	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-16.9	-175.3	-78.4	0	0	0	0	115.7	L191 R192 F197 D198 N365	L191-T195 PolarHBondContact O-N 3.33Å; R192-T195 PolarHBondContact O-N 2.91Å; T195-F197 PolarHBondContact O-N 2.97Å; T195-D198 WeakPolarHBondContact CA-OD1 3.21Å; T195-D198 VanDerWaalsContact CA-OD2 3.3Å; T195-D198 WeakPolarHBondContact CA-OD2 3.31Å; T195-D198 WeakPolarHBondContact CB-OD2 3.48Å; T195-D198 WeakPolarHBondContact CG2-OD2 3.1Å; T195-D198 PolarHBondContact O-N 2.61Å; T195-D198 PolarHBondContact OG1-OD2 3.42Å; T195-N365 PolarHBondContact OG1-ND2 2.99Å
196	V	81.6	Confident	85.5	Confident	24 Å²	24	52 Å²	52	15%	0.145	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-57.1	-31	167.7	168.7	0	0	0	0	111.6	F126 L130 R192 K194	F126-V196 HydrophobicContact CE2-CG1 3.77Å; F126-V196 WeakPolarHBondContact CE2-O 3.4Å; F126-V196 HydrophobicContact CZ-CG1 3.78Å; L130-V196 HydrophobicContact CD2-CG2 4.43Å; R192-V196 WeakPolarHBondContact O-CG2 3.21Å; R192-V196 PolarHBondContact O-N 3.36Å; K194-V196 VanDerWaalsContact C-N 3.26Å; K194-V196 PolarHBondContact O-N 3.15Å; K194-V196 VanDerWaalsContact O-N 3.16Å
197	F	79.8	Confident	85.4	Confident	14 Å²	14	57.6 Å²	57.6	6%	0.061	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-84.8	-14.3	-177.3	-62.7	-83.3	0	0	0	114.4	C193 K194 T195 N199 L200 M205 L502 I505 H506	C193-F197 WeakPolarHBondContact O-CD2 3.39Å; C193-F197 VanDerWaalsContact O-CE2 3.25Å; C193-F197 WeakPolarHBondContact O-CE2 3.43Å; K194-F197 WeakPolarHBondContact O-CB 3.36Å; K194-F197 WeakPolarHBondContact O-CD2 3.39Å; K194-F197 PolarHBondContact O-N 3.36Å; T195-F197 PolarHBondContact O-N 2.97Å; F197-N199 PolarHBondContact O-N 3.14Å; F197-L200 HydrophobicContact CD1-CD1 3.56Å; F197-L200 HydrophobicContact CE1-CD1 3.98Å; F197-L200 WeakPolarHBondContact O-CB 3.33Å; F197-L200 PolarHBondContact O-N 3.28Å; F197-M205 HydrophobicContact CB-CE 3.83Å; F197-M205 HydrophobicContact CB-SD 4.05Å; F197-M205 HydrophobicContact CD1-CE 3.67Å; F197-M205 HydrophobicContact CD1-CG 3.91Å; F197-M205 HydrophobicContact CD1-SD 3.98Å; F197-M205 HydrophobicContact CD2-CE 4.38Å; F197-M205 HydrophobicContact CE1-CE 4.42Å; F197-M205 HydrophobicContact CE1-CG 4.49Å; F197-M205 HydrophobicContact CG-CE 3.67Å; F197-M205 HydrophobicContact CG-SD 4.26Å; F197-L502 HydrophobicContact CD2-CD2 3.93Å; F197-L502 HydrophobicContact CE2-CB 4.08Å; F197-L502 HydrophobicContact CE2-CD2 3.63Å; F197-L502 HydrophobicContact CE2-CG 4.46Å; F197-L502 HydrophobicContact CZ-CD2 4.45Å; F197-L502 WeakPolarHBondContact CZ-O 3.4Å; F197-I505 HydrophobicContact CE1-CB 4.27Å; F197-I505 HydrophobicContact CE1-CG2 3.68Å; F197-I505 HydrophobicContact CZ-CB 4.17Å; F197-I505 HydrophobicContact CZ-CG2 4.11Å; F197-H506 HydrophobicContact CZ-CB 4.03Å
198	D	77.3	Confident	85.2	Confident	93 Å²	93	57.6 Å²	57.6	50%	0.497	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.7	-177.2	-57.6	-5.9	0	0	0	112.8	T195	T195-D198 WeakPolarHBondContact CA-OD1 3.21Å; T195-D198 VanDerWaalsContact CA-OD2 3.3Å; T195-D198 WeakPolarHBondContact CA-OD2 3.31Å; T195-D198 WeakPolarHBondContact CB-OD2 3.48Å; T195-D198 WeakPolarHBondContact CG2-OD2 3.1Å; T195-D198 PolarHBondContact O-N 2.61Å; T195-D198 PolarHBondContact OG1-OD2 3.42Å
199	N	71.7	Confident	85.2	Confident	115 Å²	115	55.2 Å²	55.2	62%	0.615	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-102.1	5.6	179.8	-65	-82.1	0	0	0	113.6	F197	F197-N199 PolarHBondContact O-N 3.14Å
200	L	73.9	Confident	85.2	Confident	19 Å²	19	55.7 Å²	55.7	10%	0.099	27%	0.268	C	S	.	.	S	Bend	trans	-89.5	141.9	176.9	-98.5	174.3	0	0	0	112	L123 F126 F197 G202 E204 M205 V509	L123-L200 HydrophobicContact CD1-CD2 4.2Å; F126-L200 HydrophobicContact CE1-CD1 4.07Å; F126-L200 HydrophobicContact CE2-CD1 3.73Å; F126-L200 HydrophobicContact CE2-CD2 4.31Å; F126-L200 HydrophobicContact CE2-CG 3.6Å; F126-L200 HydrophobicContact CZ-CD1 3.23Å; F126-L200 HydrophobicContact CZ-CD2 4.27Å; F126-L200 HydrophobicContact CZ-CG 3.65Å; F197-L200 HydrophobicContact CD1-CD1 3.56Å; F197-L200 HydrophobicContact CE1-CD1 3.98Å; F197-L200 WeakPolarHBondContact O-CB 3.33Å; F197-L200 PolarHBondContact O-N 3.28Å; L200-G202 PolarHBondContact O-N 3.4Å; L200-E204 WeakPolarHBondContact CD2-OE2 3.48Å; L200-M205 HydrophobicContact CD1-CB 4.49Å; L200-V509 HydrophobicContact CD1-CG1 4.4Å; L200-V509 HydrophobicContact CD1-CG2 4.09Å; L200-V509 HydrophobicContact CD2-CG1 4.17Å
201	E	76.1	Confident	85.3	Confident	116 Å²	116	59 Å²	59	54%	0.542	28%	0.281	S	S	.	.			trans	-65.3	119.2	167.2	-173.1	-177.5	179.9	0	0	109.6	R117 E203 E204 M205	R117-E201 IonicContact CZ-OE2 3.7Å; R117-E201 IonicContact NE-OE2 3.59Å; R117-E201 IonicContact NH2-OE2 2.83Å; R117-E201 PolarHBondContact NH2-OE2 2.83Å; E201-E203 PolarHBondContact O-N 3.4Å; E201-E204 PolarHBondContact O-N 3.48Å; E201-M205 PolarHBondContact O-N 2.89Å
202	G	77.4	Confident	85.4	Confident	35 Å²	35	58.3 Å²	58.3	36%	0.361	28%	0.278	S	S	.	.	H	α-helix	trans	-54.9	-29.3	-170.7	0	0	0	0	0	115	L200 R206	L200-G202 PolarHBondContact O-N 3.4Å; G202-R206 WeakPolarHBondContact O-CB 3.36Å; G202-R206 VanDerWaalsContact O-CG 3.29Å; G202-R206 WeakPolarHBondContact O-CG 3.48Å; G202-R206 PolarHBondContact O-N 3.19Å
203	E	83.3	Confident	85.7	Confident	67 Å²	67	51.3 Å²	51.3	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-62.9	-41.3	173.8	-96.5	-57.1	106.1	0	0	113.7	E201 R206 R207	E201-E203 PolarHBondContact O-N 3.4Å; E203-R206 PolarHBondContact O-N 3.07Å; E203-R206 IonicContact OE1-CZ 3.36Å; E203-R206 VanDerWaalsContact OE1-CZ 3.29Å; E203-R206 IonicContact OE1-NE 3.82Å; E203-R206 PolarHBondContact OE1-NE 2.71Å; E203-R206 IonicContact OE1-NH2 3.31Å; E203-R206 PolarHBondContact OE1-NH2 3.22Å; E203-R207 WeakPolarHBondContact O-CD 3.2Å; E203-R207 VanDerWaalsContact O-CG 3.23Å; E203-R207 WeakPolarHBondContact O-CG 3.37Å; E203-R207 PolarHBondContact O-N 2.73Å; E203-R207 VanDerWaalsContact O-N 3.08Å; E203-R207 IonicContact OE2-CZ 3.32Å; E203-R207 IonicContact OE2-NE 3.08Å; E203-R207 PolarHBondContact OE2-NE 3.01Å; E203-R207 IonicContact OE2-NH2 2.68Å; E203-R207 PolarHBondContact OE2-NH2 3.02Å
204	E	84.8	Confident	86.1	Confident	50 Å²	50	51.7 Å²	51.7	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-70.2	-43.1	-179.8	-172	174.2	-121.6	0	0	110.7	R117 L200 E201 R207 A208 V509	R117-E204 IonicContact CZ-OE1 2.8Å; R117-E204 IonicContact CZ-OE2 2.93Å; R117-E204 VanDerWaalsContact NH1-CD 3.35Å; R117-E204 IonicContact NH1-OE1 2.69Å; R117-E204 PolarHBondContact NH1-OE1 3.42Å; R117-E204 IonicContact NH1-OE2 3.72Å; R117-E204 PolarHBondContact NH1-OE2 3.32Å; R117-E204 IonicContact NH2-OE1 2.86Å; R117-E204 IonicContact NH2-OE2 3.96Å; R117-E204 PolarHBondContact NH2-OE2 3Å; L200-E204 WeakPolarHBondContact CD2-OE2 3.48Å; E201-E204 PolarHBondContact O-N 3.48Å; E204-R207 PolarHBondContact O-N 2.95Å; E204-A208 PolarHBondContact O-N 2.87Å; E204-V509 HydrophobicContact CG-CG1 4.16Å
205	M	85.2	Confident	86.5	Confident	56 Å²	56	52.3 Å²	52.3	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-47.1	173.2	-172	-168.6	-175.2	0	0	111.4	F197 L200 E201 R207 A208 R209 I505	F197-M205 HydrophobicContact CB-CE 3.83Å; F197-M205 HydrophobicContact CB-SD 4.05Å; F197-M205 HydrophobicContact CD1-CE 3.67Å; F197-M205 HydrophobicContact CD1-CG 3.91Å; F197-M205 HydrophobicContact CD1-SD 3.98Å; F197-M205 HydrophobicContact CD2-CE 4.38Å; F197-M205 HydrophobicContact CE1-CE 4.42Å; F197-M205 HydrophobicContact CE1-CG 4.49Å; F197-M205 HydrophobicContact CG-CE 3.67Å; F197-M205 HydrophobicContact CG-SD 4.26Å; L200-M205 HydrophobicContact CD1-CB 4.49Å; E201-M205 PolarHBondContact O-N 2.89Å; M205-R207 VanDerWaalsContact C-N 3.31Å; M205-R207 PolarHBondContact O-N 2.69Å; M205-A208 PolarHBondContact O-N 2.91Å; M205-R209 WeakPolarHBondContact O-CB 3.32Å; M205-R209 PolarHBondContact O-N 3.37Å; M205-I505 HydrophobicContact CG-CG2 4.43Å
206	R	86.8	Confident	87	Confident	99 Å²	99	50.2 Å²	50.2	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-41.1	176.9	-80.4	-169.1	-69.7	-109	6.7	112.2	D42 G202 E203 T210	D42-R206 VanDerWaalsContact OD1-CD 3.3Å; D42-R206 WeakPolarHBondContact OD1-CD 3.43Å; G202-R206 WeakPolarHBondContact O-CB 3.36Å; G202-R206 VanDerWaalsContact O-CG 3.29Å; G202-R206 WeakPolarHBondContact O-CG 3.48Å; G202-R206 PolarHBondContact O-N 3.19Å; E203-R206 PolarHBondContact O-N 3.07Å; E203-R206 IonicContact OE1-CZ 3.36Å; E203-R206 VanDerWaalsContact OE1-CZ 3.29Å; E203-R206 IonicContact OE1-NE 3.82Å; E203-R206 PolarHBondContact OE1-NE 2.71Å; E203-R206 IonicContact OE1-NH2 3.31Å; E203-R206 PolarHBondContact OE1-NH2 3.22Å; R206-T210 WeakPolarHBondContact O-CB 3.48Å; R206-T210 PolarHBondContact O-N 2.87Å; R206-T210 PolarHBondContact O-OG1 3Å
207	R	90.9	Very high	87.7	Confident	149 Å²	149	51.1 Å²	51.1	56%	0.562	25%	0.248	S	C	*	.	H	α-helix	trans	-69	-44.6	178.3	-69.7	167.5	-166.1	-153.8	1.2	112.3	E203 E204 M205 T210 R211	E203-R207 WeakPolarHBondContact O-CD 3.2Å; E203-R207 VanDerWaalsContact O-CG 3.23Å; E203-R207 WeakPolarHBondContact O-CG 3.37Å; E203-R207 PolarHBondContact O-N 2.73Å; E203-R207 VanDerWaalsContact O-N 3.08Å; E203-R207 IonicContact OE2-CZ 3.32Å; E203-R207 IonicContact OE2-NE 3.08Å; E203-R207 PolarHBondContact OE2-NE 3.01Å; E203-R207 IonicContact OE2-NH2 2.68Å; E203-R207 PolarHBondContact OE2-NH2 3.02Å; E204-R207 PolarHBondContact O-N 2.95Å; M205-R207 VanDerWaalsContact C-N 3.31Å; M205-R207 PolarHBondContact O-N 2.69Å; R207-T210 PolarHBondContact O-N 3.18Å; R207-R211 PolarHBondContact O-N 3.2Å; R207-R211 VanDerWaalsContact O-N 3.16Å; R207-R211 PolarHBondContact O-NH1 2.83Å
208	A	92.6	Very high	88.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-48.4	175.6	0	0	0	0	0	111.3	E204 M205 T210 R211 S212 I505 V509	E204-A208 PolarHBondContact O-N 2.87Å; M205-A208 PolarHBondContact O-N 2.91Å; A208-T210 VanDerWaalsContact C-N 3.26Å; A208-T210 PolarHBondContact O-N 2.82Å; A208-R211 PolarHBondContact O-N 3Å; A208-S212 WeakPolarHBondContact O-CB 3.2Å; A208-S212 PolarHBondContact O-N 2.79Å; A208-S212 PolarHBondContact O-OG 3.15Å; A208-I505 HydrophobicContact CB-CG2 4.13Å; A208-V509 HydrophobicContact CB-CB 4.36Å; A208-V509 HydrophobicContact CB-CG2 3.41Å; A208-V509 VanDerWaalsContact CB-CG2 3.41Å
209	R	93.5	Very high	89.4	Confident	26 Å²	26	52.2 Å²	52.2	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-37.1	174.8	-171.1	-169.9	55	47.3	5.9	113	D42 M205 S212 N213 E216 R427 I505	D42-R209 IonicContact OD2-CZ 2.71Å; D42-R209 IonicContact OD2-NH2 2.84Å; D42-R209 PolarHBondContact OD2-NH2 3.03Å; M205-R209 WeakPolarHBondContact O-CB 3.32Å; M205-R209 PolarHBondContact O-N 3.37Å; R209-S212 WeakPolarHBondContact CA-OG 3.38Å; R209-S212 PolarHBondContact O-OG 2.98Å; R209-N213 WeakPolarHBondContact O-CB 3.3Å; R209-N213 PolarHBondContact O-N 3.09Å; R209-N213 VanDerWaalsContact O-N 3.15Å; R209-E216 IonicContact CZ-OE1 2.6Å; R209-E216 IonicContact NH1-OE1 3.29Å; R209-E216 PolarHBondContact NH1-OE1 2.86Å; R209-E216 IonicContact NH1-OE2 2.98Å; R209-E216 PolarHBondContact NH1-OE2 2.83Å; R209-E216 VanDerWaalsContact NH1-OE2 3.12Å; R209-E216 IonicContact NH2-OE1 2.77Å; R209-R427 VanDerWaalsContact NH1-CZ 3.33Å; R209-I505 HydrophobicContact CB-CD1 4.12Å; R209-I505 HydrophobicContact CB-CG1 4.36Å; R209-I505 HydrophobicContact CG-CD1 3.88Å; R209-I505 HydrophobicContact CG-CG1 4.49Å
210	T	94.3	Very high	90.5	Very high	48 Å²	48	47.2 Å²	47.2	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-69.3	-34.1	177.6	-61.8	0	0	0	0	112.4	R206 R207 A208 E216 Q519	R206-T210 WeakPolarHBondContact O-CB 3.48Å; R206-T210 PolarHBondContact O-N 2.87Å; R206-T210 PolarHBondContact O-OG1 3Å; R207-T210 PolarHBondContact O-N 3.18Å; A208-T210 VanDerWaalsContact C-N 3.26Å; A208-T210 PolarHBondContact O-N 2.82Å; T210-E216 HydrophobicContact CG2-CG 4.15Å; T210-Q519 PolarHBondContact O-NE2 3.1Å
211	R	95.5	Very high	91.4	Very high	70 Å²	70	47.2 Å²	47.2	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-80.4	-29.5	176	-68.9	-165.9	-54.5	-79.1	1.3	113.5	R207 A208 Y508 L514 E516	R207-R211 PolarHBondContact O-N 3.2Å; R207-R211 VanDerWaalsContact O-N 3.16Å; R207-R211 PolarHBondContact O-NH1 2.83Å; A208-R211 PolarHBondContact O-N 3Å; R211-Y508 HydrophobicContact CB-CD1 3.69Å; R211-Y508 HydrophobicContact CB-CE1 4.01Å; R211-Y508 PolarHBondContact NH2-O 3.38Å; R211-Y508 VanDerWaalsContact O-CE1 3.3Å; R211-Y508 WeakPolarHBondContact O-CE1 3.29Å; R211-L514 WeakPolarHBondContact CD-O 3.35Å; R211-L514 PolarHBondContact NE-O 2.86Å; R211-E516 WeakPolarHBondContact O-CB 3.16Å; R211-E516 PolarHBondContact O-N 3.02Å
212	S	95.6	Very high	92.4	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-93.1	-20.5	-173.2	67.3	0	0	0	0	115.1	A208 R209 P214 K504 I505 Y508	A208-S212 WeakPolarHBondContact O-CB 3.2Å; A208-S212 PolarHBondContact O-N 2.79Å; A208-S212 PolarHBondContact O-OG 3.15Å; R209-S212 WeakPolarHBondContact CA-OG 3.38Å; R209-S212 PolarHBondContact O-OG 2.98Å; S212-P214 WeakPolarHBondContact O-CD 3.46Å; S212-K504 VanDerWaalsContact O-CE 3.26Å; S212-K504 WeakPolarHBondContact O-CE 3.43Å; S212-K504 PolarHBondContact O-NZ 2.98Å; S212-I505 WeakPolarHBondContact OG-CG1 3.18Å; S212-Y508 VanDerWaalsContact CA-CE1 3.49Å
213	N	96.8	Very high	93.4	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.032	19%	0.188	C	C	.	.			trans	-83.3	113.6	176.3	175.1	17.1	0	0	0	110.3	R209 Y215 E216 Q519	R209-N213 WeakPolarHBondContact O-CB 3.3Å; R209-N213 PolarHBondContact O-N 3.09Å; R209-N213 VanDerWaalsContact O-N 3.15Å; N213-Y215 PolarHBondContact O-N 3.09Å; N213-Y215 VanDerWaalsContact O-N 3.14Å; N213-Y215 PolarHBondContact OD1-N 3.34Å; N213-Y215 VanDerWaalsContact OD1-N 3.07Å; N213-E216 HydrophobicContact CB-CB 4.09Å; N213-E216 PolarHBondContact ND2-OE2 2.85Å; N213-E216 PolarHBondContact O-N 2.89Å; N213-Q519 PolarHBondContact O-NE2 3.08Å
214	P	96.9	Very high	93.9	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.058	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16	-178.9	26.1	-34.2	0	0	0	113.9	P140 S212 E516 I522	P140-P214 HydrophobicContact CB-CB 3.69Å; P140-P214 HydrophobicContact CB-CG 3.82Å; P140-P214 HydrophobicContact CG-CB 3.57Å; P140-P214 HydrophobicContact CG-CG 3.6Å; S212-P214 WeakPolarHBondContact O-CD 3.46Å; P214-E516 HydrophobicContact CB-CG 4.28Å; P214-I522 HydrophobicContact CB-CD1 3.86Å
215	Y	97.5	Very high	94.4	Very high	37 Å²	37	38.2 Å²	38.2	15%	0.145	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.2	-178.4	-51.9	-75.4	0	0	0	114.4	P140 S141 N213 T217 I218 V424 I522	P140-Y215 WeakPolarHBondContact CA-OH 3.45Å; S141-Y215 PolarHBondContact N-OH 3.4Å; S141-Y215 VanDerWaalsContact N-OH 3.11Å; S141-Y215 PolarHBondContact O-OH 2.97Å; N213-Y215 PolarHBondContact O-N 3.09Å; N213-Y215 VanDerWaalsContact O-N 3.14Å; N213-Y215 PolarHBondContact OD1-N 3.34Å; N213-Y215 VanDerWaalsContact OD1-N 3.07Å; Y215-T217 VanDerWaalsContact C-N 3.28Å; Y215-T217 PolarHBondContact O-N 2.88Å; Y215-T217 VanDerWaalsContact O-N 3.16Å; Y215-I218 HydrophobicContact CD1-CD1 4.43Å; Y215-I218 WeakPolarHBondContact O-CB 3.26Å; Y215-I218 WeakPolarHBondContact O-CG1 3.44Å; Y215-I218 PolarHBondContact O-N 2.87Å; Y215-V424 WeakPolarHBondContact CB-O 3.22Å; Y215-V424 HydrophobicContact CD1-CB 3.73Å; Y215-V424 HydrophobicContact CD1-CG1 4.39Å; Y215-V424 HydrophobicContact CD1-CG2 3.85Å; Y215-V424 HydrophobicContact CD2-CB 3.78Å; Y215-V424 HydrophobicContact CD2-CG1 4.31Å; Y215-V424 HydrophobicContact CE1-CB 3.72Å; Y215-V424 HydrophobicContact CE1-CG1 3.86Å; Y215-V424 HydrophobicContact CE1-CG2 3.98Å; Y215-V424 HydrophobicContact CE2-CB 3.76Å; Y215-V424 HydrophobicContact CE2-CG1 3.76Å; Y215-V424 HydrophobicContact CG-CB 3.78Å; Y215-V424 HydrophobicContact CG-CG2 4.27Å; Y215-I522 HydrophobicContact CD1-CG2 3.44Å; Y215-I522 VanDerWaalsContact CD1-CG2 3.44Å; Y215-I522 HydrophobicContact CE1-CG2 3.55Å
216	E	96.6	Very high	94.8	Very high	16 Å²	16	38.4 Å²	38.4	8%	0.075	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-63.5	-27.8	-168	-166.1	76.7	-171.3	0	0	114	R209 T210 N213 I218 R219 R427	R209-E216 IonicContact CZ-OE1 2.6Å; R209-E216 IonicContact NH1-OE1 3.29Å; R209-E216 PolarHBondContact NH1-OE1 2.86Å; R209-E216 IonicContact NH1-OE2 2.98Å; R209-E216 PolarHBondContact NH1-OE2 2.83Å; R209-E216 VanDerWaalsContact NH1-OE2 3.12Å; R209-E216 IonicContact NH2-OE1 2.77Å; T210-E216 HydrophobicContact CG2-CG 4.15Å; N213-E216 HydrophobicContact CB-CB 4.09Å; N213-E216 PolarHBondContact ND2-OE2 2.85Å; N213-E216 PolarHBondContact O-N 2.89Å; E216-I218 VanDerWaalsContact C-N 3.26Å; E216-I218 PolarHBondContact O-N 3.14Å; E216-R219 WeakPolarHBondContact O-CG 3.45Å; E216-R219 PolarHBondContact O-N 3.28Å; E216-R427 IonicContact OE1-CZ 3.85Å; E216-R427 IonicContact OE1-NE 3.21Å; E216-R427 IonicContact OE1-NH2 2.77Å; E216-R427 PolarHBondContact OE1-NH2 3.02Å; E216-R427 IonicContact OE2-NE 2.79Å
217	T	96.2	Very high	95.3	Very high	42 Å²	42	34.3 Å²	34.3	26%	0.258	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-71.7	-15.1	-178.6	53.4	0	0	0	0	113.9	Y215 R219 Q519 R523	Y215-T217 VanDerWaalsContact C-N 3.28Å; Y215-T217 PolarHBondContact O-N 2.88Å; Y215-T217 VanDerWaalsContact O-N 3.16Å; T217-R219 VanDerWaalsContact C-N 3.31Å; T217-R219 PolarHBondContact O-N 3.48Å; T217-Q519 HydrophobicContact CG2-CB 3.75Å; T217-Q519 HydrophobicContact CG2-CG 4.35Å; T217-Q519 PolarHBondContact OG1-O 3.28Å; T217-R523 VanDerWaalsContact O-CD 3.25Å; T217-R523 WeakPolarHBondContact O-CD 3.38Å; T217-R523 PolarHBondContact O-NE 3.12Å
218	I	96.8	Very high	95.6	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-59.8	-43.9	174.6	-63.1	175.8	0	0	0	110.4	Y215 E216 G220 G221 M229 T425 R523 C526 W530	Y215-I218 HydrophobicContact CD1-CD1 4.43Å; Y215-I218 WeakPolarHBondContact O-CB 3.26Å; Y215-I218 WeakPolarHBondContact O-CG1 3.44Å; Y215-I218 PolarHBondContact O-N 2.87Å; E216-I218 VanDerWaalsContact C-N 3.26Å; E216-I218 PolarHBondContact O-N 3.14Å; I218-G220 PolarHBondContact O-N 2.71Å; I218-G221 PolarHBondContact O-N 2.83Å; I218-M229 HydrophobicContact CG2-CB 4.23Å; I218-M229 HydrophobicContact CG2-CE 3.87Å; I218-M229 HydrophobicContact CG2-CG 4.2Å; I218-T425 HydrophobicContact CD1-CG2 4.37Å; I218-T425 HydrophobicContact CG2-CG2 4.18Å; I218-R523 HydrophobicContact CG1-CB 4.14Å; I218-R523 HydrophobicContact CG1-CG 4.24Å; I218-C526 HydrophobicContact CD1-CB 3.9Å; I218-W530 HydrophobicContact CD1-CH2 3.84Å; I218-W530 HydrophobicContact CD1-CZ3 4.11Å; I218-W530 HydrophobicContact CG2-CZ3 4.09Å
219	R	95.3	Very high	95.9	Very high	127 Å²	127	27.2 Å²	27.2	48%	0.479	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	-131.2	-179.9	-58.2	-170.9	177.1	-166.6	0.2	112.1	E216 T217 M229	E216-R219 WeakPolarHBondContact O-CG 3.45Å; E216-R219 PolarHBondContact O-N 3.28Å; T217-R219 VanDerWaalsContact C-N 3.31Å; T217-R219 PolarHBondContact O-N 3.48Å; R219-M229 VanDerWaalsContact O-CG 3.29Å; R219-M229 WeakPolarHBondContact O-CG 3.38Å
220	G	94.4	Very high	96.1	Very high	10 Å²	10	26.8 Å²	26.8	10%	0.103	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.6	175.7	0	0	0	0	0	114.7	I218 I222 F223 N225	I218-G220 PolarHBondContact O-N 2.71Å; G220-I222 PolarHBondContact O-N 3.39Å; G220-I222 VanDerWaalsContact O-N 3.1Å; G220-F223 WeakPolarHBondContact O-CB 3.41Å; G220-F223 WeakPolarHBondContact O-CD2 3.38Å; G220-F223 PolarHBondContact O-N 3.43Å; G220-N225 WeakPolarHBondContact CA-O 3.47Å
221	G	94.2	Very high	96.3	Very high	19 Å²	19	24.5 Å²	24.5	20%	0.196	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-114.1	-174.4	0	0	0	0	0	113	I218 R537	I218-G221 PolarHBondContact O-N 2.83Å; G221-R537 PolarHBondContact O-N 2.88Å
222	I	96.3	Very high	96.5	Very high	21 Å²	21	21.2 Å²	21.2	11%	0.108	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.5	176.1	59.4	168.9	0	0	0	114	G220 W280 A306 V532 K535 R537	G220-I222 PolarHBondContact O-N 3.39Å; G220-I222 VanDerWaalsContact O-N 3.1Å; I222-W280 HydrophobicContact CD1-CD2 4.4Å; I222-W280 HydrophobicContact CD1-CZ2 4.1Å; I222-A306 HydrophobicContact CD1-CB 4.28Å; I222-A306 HydrophobicContact CG1-CB 4.47Å; I222-V532 HydrophobicContact CG1-CG1 4.38Å; I222-K535 HydrophobicContact CG2-CB 3.94Å; I222-K535 VanDerWaalsContact CG2-O 3.29Å; I222-K535 WeakPolarHBondContact CG2-O 3.38Å; I222-R537 WeakPolarHBondContact O-CG 3.17Å
223	F	97.4	Very high	96.6	Very high	5 Å²	5	20.9 Å²	20.9	2%	0.022	10%	0.104	C	C	.	.	S	Bend	trans	-100.6	168	-170.6	-55	-72.3	0	0	0	112.9	G220 N225 A228 M229 E276 Y277 W280 A306 V532 R537	G220-F223 WeakPolarHBondContact O-CB 3.41Å; G220-F223 WeakPolarHBondContact O-CD2 3.38Å; G220-F223 PolarHBondContact O-N 3.43Å; F223-N225 VanDerWaalsContact C-N 3.33Å; F223-N225 PolarHBondContact O-N 2.85Å; F223-A228 HydrophobicContact CB-CB 3.29Å; F223-A228 HydrophobicContact CD1-CB 4.13Å; F223-A228 HydrophobicContact CD2-CB 3.75Å; F223-A228 HydrophobicContact CG-CB 3.47Å; F223-A228 VanDerWaalsContact CG-CB 3.47Å; F223-M229 HydrophobicContact CD2-CG 4.32Å; F223-M229 HydrophobicContact CD2-SD 3.64Å; F223-M229 HydrophobicContact CE2-SD 3.7Å; F223-E276 VanDerWaalsContact CA-OE2 3.29Å; F223-E276 WeakPolarHBondContact CA-OE2 3.31Å; F223-E276 WeakPolarHBondContact CB-OE2 3.43Å; F223-E276 HydrophobicContact CD1-CB 4.49Å; F223-E276 HydrophobicContact CD1-CG 4.07Å; F223-Y277 HydrophobicContact CE2-CD2 4.38Å; F223-Y277 AromaticContact CZ-CD2 3.92Å; F223-Y277 HydrophobicContact CZ-CD2 3.92Å; F223-W280 HydrophobicContact CE1-CB 3.85Å; F223-W280 AromaticContact CE1-CD2 3.9Å; F223-W280 HydrophobicContact CE1-CD2 3.9Å; F223-W280 HydrophobicContact CE1-CE3 4Å; F223-W280 AromaticContact CE1-CG 3.83Å; F223-W280 HydrophobicContact CE1-CG 3.83Å; F223-W280 AromaticContact CZ-CD2 3.84Å; F223-W280 HydrophobicContact CZ-CD2 3.84Å; F223-W280 AromaticContact CZ-CE3 3.6Å; F223-W280 HydrophobicContact CZ-CE3 3.6Å; F223-W280 HydrophobicContact CZ-CG 4.28Å; F223-W280 HydrophobicContact CZ-CZ3 4.05Å; F223-A306 HydrophobicContact CD1-CB 3.82Å; F223-A306 HydrophobicContact CE1-CB 3.96Å; F223-V532 HydrophobicContact CE2-CG1 4.05Å; F223-R537 WeakPolarHBondContact O-CD 3.39Å
224	L	94.4	Very high	96.7	Very high	24 Å²	24	20.6 Å²	20.6	13%	0.126	10%	0.102	C	C	.	.	S	Bend	trans	-65.5	-28	-173.3	70.6	90.4	0	0	0	115	P271 E276 F304 R537	L224-P271 HydrophobicContact CD1-CB 4.14Å; L224-P271 HydrophobicContact CD1-CG 3.58Å; L224-E276 WeakPolarHBondContact CB-OE2 3.34Å; L224-E276 HydrophobicContact CD2-CB 4.12Å; L224-E276 WeakPolarHBondContact CD2-OE2 3.41Å; L224-E276 WeakPolarHBondContact CG-OE2 3.37Å; L224-E276 PolarHBondContact N-OE2 2.78Å; L224-F304 HydrophobicContact CD2-CD1 3.42Å; L224-F304 VanDerWaalsContact CD2-CD1 3.42Å; L224-F304 HydrophobicContact CD2-CE1 3.47Å; L224-F304 VanDerWaalsContact CD2-CE1 3.47Å; L224-F304 HydrophobicContact CD2-CG 4.36Å; L224-F304 HydrophobicContact CD2-CZ 4.44Å; L224-R537 VanDerWaalsContact CA-CZ 3.48Å
225	N	94.7	Very high	96.8	Very high	29 Å²	29	20.2 Å²	20.2	16%	0.155	10%	0.1	C	C	.	.	S	Bend	trans	-154.1	177.4	176.2	69.1	15.4	0	0	0	112.2	G220 F223 A227 A228	G220-N225 WeakPolarHBondContact CA-O 3.47Å; F223-N225 VanDerWaalsContact C-N 3.33Å; F223-N225 PolarHBondContact O-N 2.85Å; N225-A227 VanDerWaalsContact C-N 3.26Å; N225-A227 PolarHBondContact O-N 2.7Å; N225-A227 VanDerWaalsContact OD1-CB 3.31Å; N225-A227 WeakPolarHBondContact OD1-CB 3.32Å; N225-A227 PolarHBondContact OD1-N 2.88Å; N225-A228 PolarHBondContact OD1-N 2.72Å
226	R	95.4	Very high	96.9	Very high	60 Å²	60	20.5 Å²	20.5	23%	0.226	10%	0.102	C	C	.	.	H	α-helix	trans	-65.2	-24.3	178	-53.5	-167.6	-67.3	-101.1	0.9	113.9	D42 A228 M229 K230 R427	D42-R226 IonicContact OD2-NH2 3.27Å; R226-A228 VanDerWaalsContact C-N 3.33Å; R226-A228 PolarHBondContact O-N 3.4Å; R226-M229 PolarHBondContact O-N 2.87Å; R226-M229 VanDerWaalsContact O-N 3.15Å; R226-K230 PolarHBondContact O-N 3.3Å; R226-R427 VanDerWaalsContact CZ-NH2 3.27Å; R226-R427 VanDerWaalsContact NH2-CZ 3.34Å
227	A	96.3	Very high	97	Very high	12 Å²	12	20.9 Å²	20.9	10%	0.099	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-38.4	-178.6	0	0	0	0	0	111.4	N225 M229 K230 M231 F274	N225-A227 VanDerWaalsContact C-N 3.26Å; N225-A227 PolarHBondContact O-N 2.7Å; N225-A227 VanDerWaalsContact OD1-CB 3.31Å; N225-A227 WeakPolarHBondContact OD1-CB 3.32Å; N225-A227 PolarHBondContact OD1-N 2.88Å; A227-M229 PolarHBondContact O-N 3.41Å; A227-K230 WeakPolarHBondContact O-CA 3.23Å; A227-K230 WeakPolarHBondContact O-CB 3.27Å; A227-K230 PolarHBondContact O-N 3.46Å; A227-M231 PolarHBondContact O-N 3Å; A227-F274 HydrophobicContact CB-CD1 3.95Å; A227-F274 HydrophobicContact CB-CE1 3.85Å; A227-F274 VanDerWaalsContact O-CD1 3.24Å; A227-F274 WeakPolarHBondContact O-CD1 3.27Å; A227-F274 WeakPolarHBondContact O-CE1 3.47Å
228	A	97.9	Very high	97	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.3	-40.1	172.5	0	0	0	0	0	112.9	F223 N225 R226 M231 A232 G273	F223-A228 HydrophobicContact CB-CB 3.29Å; F223-A228 HydrophobicContact CD1-CB 4.13Å; F223-A228 HydrophobicContact CD2-CB 3.75Å; F223-A228 HydrophobicContact CG-CB 3.47Å; F223-A228 VanDerWaalsContact CG-CB 3.47Å; N225-A228 PolarHBondContact OD1-N 2.72Å; R226-A228 VanDerWaalsContact C-N 3.33Å; R226-A228 PolarHBondContact O-N 3.4Å; A228-M231 PolarHBondContact O-N 3.41Å; A228-A232 PolarHBondContact O-N 2.92Å; A228-G273 VanDerWaalsContact CA-O 3.31Å; A228-G273 WeakPolarHBondContact CA-O 3.32Å; A228-G273 WeakPolarHBondContact CB-O 3.14Å
229	M	98.1	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.6	-31.5	176.3	-70.1	-55.2	-51.3	0	0	113	I218 R219 F223 R226 A227 M231 A232 N233 T425 L527 W530 V532	I218-M229 HydrophobicContact CG2-CB 4.23Å; I218-M229 HydrophobicContact CG2-CE 3.87Å; I218-M229 HydrophobicContact CG2-CG 4.2Å; R219-M229 VanDerWaalsContact O-CG 3.29Å; R219-M229 WeakPolarHBondContact O-CG 3.38Å; F223-M229 HydrophobicContact CD2-CG 4.32Å; F223-M229 HydrophobicContact CD2-SD 3.64Å; F223-M229 HydrophobicContact CE2-SD 3.7Å; R226-M229 PolarHBondContact O-N 2.87Å; R226-M229 VanDerWaalsContact O-N 3.15Å; A227-M229 PolarHBondContact O-N 3.41Å; M229-M231 VanDerWaalsContact C-N 3.35Å; M229-A232 HydrophobicContact CE-CB 4.43Å; M229-A232 PolarHBondContact O-N 2.91Å; M229-N233 VanDerWaalsContact O-CB 3.27Å; M229-N233 WeakPolarHBondContact O-CB 3.3Å; M229-N233 PolarHBondContact O-N 3.44Å; M229-T425 HydrophobicContact CB-CG2 4.34Å; M229-L527 HydrophobicContact CE-CD2 3.62Å; M229-L527 HydrophobicContact SD-CD2 4.44Å; M229-W530 HydrophobicContact CE-CE3 3.63Å; M229-W530 HydrophobicContact CE-CZ3 3.73Å; M229-V532 HydrophobicContact CE-CB 4.49Å; M229-V532 HydrophobicContact CE-CG1 4.36Å; M229-V532 HydrophobicContact CE-CG2 4.26Å; M229-V532 HydrophobicContact SD-CG1 4.14Å
230	K	98.5	Very high	97.2	Very high	18 Å²	18	22.7 Å²	22.7	8%	0.078	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-43.4	169.3	-57.8	176.5	-179.5	172.7	0	111.7	R226 A227 A232 N233 I234 F274 T425 E432 Y434	R226-K230 PolarHBondContact O-N 3.3Å; A227-K230 WeakPolarHBondContact O-CA 3.23Å; A227-K230 WeakPolarHBondContact O-CB 3.27Å; A227-K230 PolarHBondContact O-N 3.46Å; K230-A232 VanDerWaalsContact C-N 3.33Å; K230-A232 PolarHBondContact O-N 2.98Å; K230-N233 WeakPolarHBondContact O-CB 3.41Å; K230-N233 PolarHBondContact O-N 2.96Å; K230-I234 WeakPolarHBondContact O-CB 3.12Å; K230-I234 VanDerWaalsContact O-CG1 3.27Å; K230-I234 WeakPolarHBondContact O-CG1 3.47Å; K230-I234 PolarHBondContact O-N 3.47Å; K230-F274 HydrophobicContact CB-CE1 4.24Å; K230-T425 VanDerWaalsContact CA-OG1 3.3Å; K230-T425 WeakPolarHBondContact CA-OG1 3.27Å; K230-E432 WeakPolarHBondContact CE-OE1 3.26Å; K230-E432 IonicContact NZ-OE1 3.99Å; K230-E432 PolarHBondContact NZ-OE1 2.74Å; K230-E432 IonicContact NZ-OE2 3.72Å; K230-E432 PolarHBondContact NZ-OE2 2.73Å; K230-Y434 HydrophobicContact CD-CE2 4.07Å; K230-Y434 VanDerWaalsContact CD-OH 3.24Å; K230-Y434 WeakPolarHBondContact CD-OH 3.14Å; K230-Y434 PolarHBondContact NZ-OH 2.84Å
231	M	98.6	Very high	97.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.5	-32.3	179.5	-152.4	58.4	-113.9	0	0	112	A227 A228 M229 I234 D235 F242 F274 Y277 M353 V393	A227-M231 PolarHBondContact O-N 3Å; A228-M231 PolarHBondContact O-N 3.41Å; M229-M231 VanDerWaalsContact C-N 3.35Å; M231-I234 HydrophobicContact CE-CB 3.83Å; M231-I234 HydrophobicContact CE-CG2 3.72Å; M231-D235 HydrophobicContact CE-CB 4.48Å; M231-D235 WeakPolarHBondContact O-CB 3.39Å; M231-D235 PolarHBondContact O-N 3.45Å; M231-F242 HydrophobicContact CE-CD1 4.49Å; M231-F242 HydrophobicContact CE-CD2 3.72Å; M231-F242 HydrophobicContact CE-CE2 3.79Å; M231-F242 HydrophobicContact CE-CG 4.08Å; M231-F242 HydrophobicContact CE-CZ 4.2Å; M231-F274 HydrophobicContact CB-CB 4.45Å; M231-F274 HydrophobicContact CB-CD1 3.67Å; M231-F274 HydrophobicContact CB-CE1 4.04Å; M231-F274 HydrophobicContact CB-CG 4.07Å; M231-F274 HydrophobicContact CG-CB 4.34Å; M231-F274 HydrophobicContact CG-CD1 4.23Å; M231-F274 HydrophobicContact CG-CG 4.12Å; M231-F274 HydrophobicContact SD-CD2 4.13Å; M231-F274 HydrophobicContact SD-CE2 4.1Å; M231-F274 HydrophobicContact SD-CG 4.31Å; M231-F274 HydrophobicContact SD-CZ 4.29Å; M231-Y277 HydrophobicContact CB-CD1 3.98Å; M231-Y277 HydrophobicContact CB-CG 4.43Å; M231-Y277 HydrophobicContact CG-CD1 4.04Å; M231-M353 HydrophobicContact CG-SD 3.65Å; M231-M353 HydrophobicContact SD-CG 4.3Å; M231-M353 HydrophobicContact SD-SD 3.79Å; M231-V393 HydrophobicContact CE-CG1 3.96Å; M231-V393 HydrophobicContact SD-CG1 3.93Å
232	A	98.6	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-40.9	169.7	0	0	0	0	0	113	A228 M229 K230 H236 Y277 V532	A228-A232 PolarHBondContact O-N 2.92Å; M229-A232 HydrophobicContact CE-CB 4.43Å; M229-A232 PolarHBondContact O-N 2.91Å; K230-A232 VanDerWaalsContact C-N 3.33Å; K230-A232 PolarHBondContact O-N 2.98Å; A232-H236 PolarHBondContact O-N 2.96Å; A232-Y277 HydrophobicContact CB-CD2 3.59Å; A232-Y277 HydrophobicContact CB-CE2 3.46Å; A232-Y277 VanDerWaalsContact CB-CE2 3.46Å; A232-Y277 HydrophobicContact CB-CG 4.27Å; A232-V532 HydrophobicContact CB-CG2 4.09Å
233	N	98.7	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.3	-51.6	176.9	-175.5	171.4	0	0	0	111.1	E144 M229 K230 H236 C237 P423 T425 W530	E144-N233 VanDerWaalsContact CD-ND2 3.32Å; E144-N233 PolarHBondContact OE1-ND2 3.18Å; E144-N233 PolarHBondContact OE2-ND2 3.35Å; M229-N233 VanDerWaalsContact O-CB 3.27Å; M229-N233 WeakPolarHBondContact O-CB 3.3Å; M229-N233 PolarHBondContact O-N 3.44Å; K230-N233 WeakPolarHBondContact O-CB 3.41Å; K230-N233 PolarHBondContact O-N 2.96Å; N233-H236 PolarHBondContact O-N 2.71Å; N233-C237 PolarHBondContact ND2-SG 3.12Å; N233-C237 PolarHBondContact O-N 3.25Å; N233-C237 PolarHBondContact O-SG 3.11Å; N233-P423 HydrophobicContact CB-CB 4.45Å; N233-P423 WeakPolarHBondContact OD1-CB 3.44Å; N233-T425 HydrophobicContact CB-CG2 4.14Å; N233-T425 WeakPolarHBondContact OD1-CG2 3.32Å; N233-T425 PolarHBondContact OD1-N 2.7Å; N233-T425 PolarHBondContact OD1-OG1 3.14Å; N233-W530 HydrophobicContact CB-CD2 4.24Å; N233-W530 HydrophobicContact CB-CE3 4.32Å; N233-W530 HydrophobicContact CB-CH2 3.91Å; N233-W530 HydrophobicContact CB-CZ2 3.8Å; N233-W530 HydrophobicContact CB-CZ3 4.16Å; N233-W530 WeakPolarHBondContact OD1-CZ2 3.35Å
234	I	98.8	Very high	97.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-46	179	-64.7	164.8	0	0	0	110.7	K230 M231 H236 C237 F238 F242 V393 F421 P423 Y434 V436	K230-I234 WeakPolarHBondContact O-CB 3.12Å; K230-I234 VanDerWaalsContact O-CG1 3.27Å; K230-I234 WeakPolarHBondContact O-CG1 3.47Å; K230-I234 PolarHBondContact O-N 3.47Å; M231-I234 HydrophobicContact CE-CB 3.83Å; M231-I234 HydrophobicContact CE-CG2 3.72Å; I234-H236 VanDerWaalsContact C-N 3.26Å; I234-H236 PolarHBondContact O-N 2.82Å; I234-C237 PolarHBondContact O-N 3.35Å; I234-F238 HydrophobicContact CG2-CD2 3.89Å; I234-F238 HydrophobicContact CG2-CE2 4.24Å; I234-F238 WeakPolarHBondContact O-CD2 3.22Å; I234-F238 PolarHBondContact O-N 3.45Å; I234-F242 HydrophobicContact CG2-CE2 3.88Å; I234-F242 HydrophobicContact CG2-CZ 4.36Å; I234-V393 HydrophobicContact CD1-CG2 4.31Å; I234-V393 HydrophobicContact CG2-CG2 4.42Å; I234-F421 HydrophobicContact CG1-CD1 4.21Å; I234-F421 HydrophobicContact CG1-CE1 4.13Å; I234-P423 HydrophobicContact CD1-CG 4.18Å; I234-P423 HydrophobicContact CG1-CB 4.15Å; I234-P423 HydrophobicContact CG1-CG 4.08Å; I234-Y434 HydrophobicContact CD1-CD1 4.03Å; I234-Y434 HydrophobicContact CD1-CD2 3.93Å; I234-Y434 HydrophobicContact CD1-CE1 4.45Å; I234-Y434 HydrophobicContact CD1-CE2 4.35Å; I234-Y434 HydrophobicContact CD1-CG 3.77Å; I234-V436 HydrophobicContact CG2-CG2 4.24Å
235	D	98.8	Very high	97.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-34.7	178.7	-175.3	55.2	0	0	0	111.6	M231 Y240 F242 T243 Y277	M231-D235 HydrophobicContact CE-CB 4.48Å; M231-D235 WeakPolarHBondContact O-CB 3.39Å; M231-D235 PolarHBondContact O-N 3.45Å; D235-Y240 WeakPolarHBondContact O-CA 3.41Å; D235-Y240 PolarHBondContact O-N 3.14Å; D235-Y240 WeakPolarHBondContact OD1-CA 3.39Å; D235-Y240 WeakPolarHBondContact OD2-CD1 3.18Å; D235-F242 HydrophobicContact CB-CD2 4.19Å; D235-F242 WeakPolarHBondContact OD1-CB 3.31Å; D235-F242 PolarHBondContact OD1-N 3.37Å; D235-T243 PolarHBondContact OD1-N 2.9Å; D235-T243 PolarHBondContact OD1-OG1 2.65Å; D235-T243 WeakPolarHBondContact OD2-CB 3.41Å; D235-T243 WeakPolarHBondContact OD2-CG2 3.41Å; D235-T243 PolarHBondContact OD2-OG1 2.98Å; D235-Y277 HydrophobicContact CB-CE1 3.76Å; D235-Y277 WeakPolarHBondContact OD2-CE1 3.39Å; D235-Y277 PolarHBondContact OD2-OH 3.09Å
236	H	98.4	Very high	97.5	Very high	44 Å²	44	25.8 Å²	25.8	20%	0.204	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-50.5	171	176.7	81	0	0	0	113.1	A232 N233 I234 F238 D239 Y240 L529 W530	A232-H236 PolarHBondContact O-N 2.96Å; N233-H236 PolarHBondContact O-N 2.71Å; I234-H236 VanDerWaalsContact C-N 3.26Å; I234-H236 PolarHBondContact O-N 2.82Å; H236-F238 PolarHBondContact O-N 3.37Å; H236-D239 PolarHBondContact O-N 3.41Å; H236-Y240 HydrophobicContact CB-CE1 4.43Å; H236-Y240 AromaticContact ND1-CZ 3.62Å; H236-Y240 PolarHBondContact ND1-OH 2.91Å; H236-L529 PolarHBondContact CE1-O 3.43Å; H236-L529 PolarHBondContact ND1-O 3.1Å; H236-L529 WeakPolarHBondContact NE2-CD1 3.31Å; H236-L529 VanDerWaalsContact NE2-CG 3.35Å; H236-L529 WeakPolarHBondContact NE2-CG 3.48Å; H236-W530 HydrophobicContact CB-CB 4.38Å; H236-W530 HydrophobicContact CB-CG 4.18Å; H236-W530 AromaticContact CD2-CD1 3.55Å; H236-W530 AromaticContact CD2-NE1 3.98Å; H236-W530 AromaticContact CG-CD1 3.49Å; H236-W530 VanDerWaalsContact CG-CD1 3.49Å
237	C	98.5	Very high	97.1	Very high	24 Å²	24	25.1 Å²	25.1	16%	0.162	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-21.6	-176.9	-65.4	0	0	0	0	113.5	V146 N233 I234 F421	V146-C237 HydrophobicContact CG2-CB 4Å; N233-C237 PolarHBondContact ND2-SG 3.12Å; N233-C237 PolarHBondContact O-N 3.25Å; N233-C237 PolarHBondContact O-SG 3.11Å; I234-C237 PolarHBondContact O-N 3.35Å; C237-F421 HydrophobicContact CB-CE1 4.23Å; C237-F421 HydrophobicContact CB-CZ 3.92Å
238	F	98.1	Very high	96.4	Very high	6 Å²	6	30 Å²	30	3%	0.026	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	41.6	177	-70.1	-98	0	0	0	112.2	V146 W148 I234 H236 Y240 M241 F242 F421 V436	V146-F238 HydrophobicContact CB-CZ 4.43Å; V146-F238 HydrophobicContact CG1-CD1 4.27Å; V146-F238 HydrophobicContact CG1-CE1 3.48Å; V146-F238 VanDerWaalsContact CG1-CE1 3.48Å; V146-F238 HydrophobicContact CG1-CE2 4.14Å; V146-F238 HydrophobicContact CG1-CZ 3.4Å; V146-F238 VanDerWaalsContact CG1-CZ 3.4Å; V146-F238 HydrophobicContact CG2-CD2 4.43Å; V146-F238 HydrophobicContact CG2-CE2 3.99Å; V146-F238 HydrophobicContact CG2-CZ 4.11Å; W148-F238 AromaticContact CH2-CD1 3.55Å; W148-F238 HydrophobicContact CH2-CD1 3.55Å; W148-F238 AromaticContact CH2-CE1 3.63Å; W148-F238 HydrophobicContact CH2-CE1 3.63Å; W148-F238 AromaticContact CZ2-CD1 3.43Å; W148-F238 HydrophobicContact CZ2-CD1 3.43Å; W148-F238 VanDerWaalsContact CZ2-CD1 3.43Å; W148-F238 AromaticContact CZ2-CE1 3.55Å; W148-F238 HydrophobicContact CZ2-CE1 3.55Å; W148-F238 HydrophobicContact CZ3-CE1 4.24Å; I234-F238 HydrophobicContact CG2-CD2 3.89Å; I234-F238 HydrophobicContact CG2-CE2 4.24Å; I234-F238 WeakPolarHBondContact O-CD2 3.22Å; I234-F238 PolarHBondContact O-N 3.45Å; H236-F238 PolarHBondContact O-N 3.37Å; F238-Y240 PolarHBondContact O-N 3.18Å; F238-Y240 VanDerWaalsContact O-N 3.1Å; F238-M241 HydrophobicContact CB-CE 4.16Å; F238-M241 HydrophobicContact CB-CG 4.03Å; F238-M241 HydrophobicContact CB-SD 4.17Å; F238-M241 HydrophobicContact CD1-CE 4.06Å; F238-M241 HydrophobicContact CD1-SD 4.49Å; F238-M241 HydrophobicContact CG-CE 4.35Å; F238-M241 VanDerWaalsContact O-CB 3.28Å; F238-M241 WeakPolarHBondContact O-CB 3.5Å; F238-M241 WeakPolarHBondContact O-CG 3.48Å; F238-M241 PolarHBondContact O-N 2.9Å; F238-F242 HydrophobicContact CB-CE2 4.33Å; F238-F421 HydrophobicContact CE2-CB 4.09Å; F238-F421 AromaticContact CE2-CD1 3.67Å; F238-F421 HydrophobicContact CE2-CD1 3.67Å; F238-F421 HydrophobicContact CE2-CD2 4.38Å; F238-F421 HydrophobicContact CE2-CE1 4.13Å; F238-F421 AromaticContact CE2-CG 3.79Å; F238-F421 HydrophobicContact CE2-CG 3.79Å; F238-F421 HydrophobicContact CZ-CB 3.96Å; F238-F421 HydrophobicContact CZ-CD1 4.4Å; F238-F421 HydrophobicContact CZ-CG 4.11Å; F238-V436 HydrophobicContact CD1-CB 4.34Å; F238-V436 HydrophobicContact CD1-CG1 3.47Å; F238-V436 VanDerWaalsContact CD1-CG1 3.47Å; F238-V436 HydrophobicContact CD2-CG1 4.28Å; F238-V436 HydrophobicContact CE1-CB 3.7Å; F238-V436 HydrophobicContact CE1-CG1 3.33Å; F238-V436 HydrophobicContact CE1-CG2 4.27Å; F238-V436 HydrophobicContact CE2-CB 4.27Å; F238-V436 HydrophobicContact CE2-CG1 4.17Å; F238-V436 HydrophobicContact CE2-CG2 3.93Å; F238-V436 HydrophobicContact CG-CG1 3.96Å; F238-V436 HydrophobicContact CZ-CB 3.66Å; F238-V436 HydrophobicContact CZ-CG1 3.7Å; F238-V436 HydrophobicContact CZ-CG2 3.76Å
239	D	96.8	Very high	95.8	Very high	132 Å²	132	38.3 Å²	38.3	71%	0.706	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	31.9	170.9	-69.2	-48.2	0	0	0	115.7	H236 M241	H236-D239 PolarHBondContact O-N 3.41Å; D239-M241 PolarHBondContact O-N 3.29Å
240	Y	97.7	Very high	95.3	Very high	73 Å²	73	40.4 Å²	40.4	29%	0.286	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	30.1	-173.3	-57	-81.7	0	0	0	113.7	D235 H236 F238 F242 T243 N244	D235-Y240 WeakPolarHBondContact O-CA 3.41Å; D235-Y240 PolarHBondContact O-N 3.14Å; D235-Y240 WeakPolarHBondContact OD1-CA 3.39Å; D235-Y240 WeakPolarHBondContact OD2-CD1 3.18Å; H236-Y240 HydrophobicContact CB-CE1 4.43Å; H236-Y240 AromaticContact ND1-CZ 3.62Å; H236-Y240 PolarHBondContact ND1-OH 2.91Å; F238-Y240 PolarHBondContact O-N 3.18Å; F238-Y240 VanDerWaalsContact O-N 3.1Å; Y240-F242 PolarHBondContact O-N 2.88Å; Y240-F242 VanDerWaalsContact O-N 3.15Å; Y240-T243 PolarHBondContact O-N 3.25Å; Y240-N244 CarbonylContact O-C 3.57Å; Y240-N244 VanDerWaalsContact O-CA 3.32Å; Y240-N244 WeakPolarHBondContact O-CA 3.41Å; Y240-N244 WeakPolarHBondContact O-CB 3.04Å; Y240-N244 PolarHBondContact O-N 2.78Å
241	M	97.4	Very high	94.8	Very high	13 Å²	13	46 Å²	46	6%	0.064	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.6	-175	74.9	174.2	-169.3	0	0	113.8	F238 D239 P245 H391 V436 R438	F238-M241 HydrophobicContact CB-CE 4.16Å; F238-M241 HydrophobicContact CB-CG 4.03Å; F238-M241 HydrophobicContact CB-SD 4.17Å; F238-M241 HydrophobicContact CD1-CE 4.06Å; F238-M241 HydrophobicContact CD1-SD 4.49Å; F238-M241 HydrophobicContact CG-CE 4.35Å; F238-M241 VanDerWaalsContact O-CB 3.28Å; F238-M241 WeakPolarHBondContact O-CB 3.5Å; F238-M241 WeakPolarHBondContact O-CG 3.48Å; F238-M241 PolarHBondContact O-N 2.9Å; D239-M241 PolarHBondContact O-N 3.29Å; M241-P245 WeakPolarHBondContact O-CA 3.34Å; M241-P245 VanDerWaalsContact O-CB 3.24Å; M241-P245 WeakPolarHBondContact O-CB 3.46Å; M241-H391 HydrophobicContact CE-CB 4.38Å; M241-H391 PolarHBondContact O-CD2 2.99Å; M241-H391 VanDerWaalsContact O-CD2 3.28Å; M241-V436 HydrophobicContact CE-CG1 3.28Å; M241-R438 HydrophobicContact CE-CB 4.43Å; M241-R438 HydrophobicContact SD-CB 4.01Å; M241-R438 HydrophobicContact SD-CG 4.05Å
242	F	98.4	Very high	94.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-47.4	175.8	-52.8	-85.8	0	0	0	110.8	M231 I234 D235 F238 Y240 I278 F351 H391 V393 V436	M231-F242 HydrophobicContact CE-CD1 4.49Å; M231-F242 HydrophobicContact CE-CD2 3.72Å; M231-F242 HydrophobicContact CE-CE2 3.79Å; M231-F242 HydrophobicContact CE-CG 4.08Å; M231-F242 HydrophobicContact CE-CZ 4.2Å; I234-F242 HydrophobicContact CG2-CE2 3.88Å; I234-F242 HydrophobicContact CG2-CZ 4.36Å; D235-F242 HydrophobicContact CB-CD2 4.19Å; D235-F242 WeakPolarHBondContact OD1-CB 3.31Å; D235-F242 PolarHBondContact OD1-N 3.37Å; F238-F242 HydrophobicContact CB-CE2 4.33Å; Y240-F242 PolarHBondContact O-N 2.88Å; Y240-F242 VanDerWaalsContact O-N 3.15Å; F242-I278 HydrophobicContact CB-CD1 4.46Å; F242-F351 HydrophobicContact CB-CD1 4.31Å; F242-F351 HydrophobicContact CB-CD2 4.09Å; F242-F351 HydrophobicContact CB-CE1 4.25Å; F242-F351 HydrophobicContact CB-CE2 3.99Å; F242-F351 HydrophobicContact CB-CG 4.24Å; F242-F351 HydrophobicContact CB-CZ 4.07Å; F242-F351 HydrophobicContact CD1-CB 4Å; F242-F351 AromaticContact CD1-CD2 3.7Å; F242-F351 HydrophobicContact CD1-CD2 3.7Å; F242-F351 HydrophobicContact CD1-CE2 4.34Å; F242-F351 AromaticContact CD1-CG 3.89Å; F242-F351 HydrophobicContact CD1-CG 3.89Å; F242-F351 HydrophobicContact CG-CD2 4.36Å; F242-F351 WeakPolarHBondContact O-CD1 3.41Å; F242-F351 WeakPolarHBondContact O-CE1 3.09Å; F242-H391 HydrophobicContact CE1-CB 4.38Å; F242-V393 HydrophobicContact CD1-CG1 4.3Å; F242-V393 HydrophobicContact CE1-CB 3.86Å; F242-V393 HydrophobicContact CE1-CG1 3.61Å; F242-V393 HydrophobicContact CZ-CB 3.8Å; F242-V393 HydrophobicContact CZ-CG1 3.91Å; F242-V436 HydrophobicContact CZ-CG1 4.01Å
243	T	97.7	Very high	93.6	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.037	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.2	-178.9	60.2	0	0	0	0	113.7	D235 Y240 Y277 I278 R281 K282	D235-T243 PolarHBondContact OD1-N 2.9Å; D235-T243 PolarHBondContact OD1-OG1 2.65Å; D235-T243 WeakPolarHBondContact OD2-CB 3.41Å; D235-T243 WeakPolarHBondContact OD2-CG2 3.41Å; D235-T243 PolarHBondContact OD2-OG1 2.98Å; Y240-T243 PolarHBondContact O-N 3.25Å; T243-Y277 HydrophobicContact CG2-CE1 3.92Å; T243-I278 HydrophobicContact CG2-CD1 3.57Å; T243-R281 HydrophobicContact CG2-CB 4.14Å; T243-R281 HydrophobicContact CG2-CG 3.91Å; T243-K282 HydrophobicContact CG2-CG 4.4Å; T243-K282 VanDerWaalsContact O-CD 3.23Å; T243-K282 WeakPolarHBondContact O-CD 3.13Å; T243-K282 VanDerWaalsContact O-CE 3.28Å; T243-K282 WeakPolarHBondContact O-CE 3.48Å; T243-K282 PolarHBondContact O-NZ 3.18Å
244	N	96.3	Very high	93	Very high	68 Å²	68	50 Å²	50	36%	0.364	27%	0.269	S	S	.	.	S	Bend	trans	-142.7	61.4	179.5	-170.1	36.4	0	0	0	111.5	Y240	Y240-N244 CarbonylContact O-C 3.57Å; Y240-N244 VanDerWaalsContact O-CA 3.32Å; Y240-N244 WeakPolarHBondContact O-CA 3.41Å; Y240-N244 WeakPolarHBondContact O-CB 3.04Å; Y240-N244 PolarHBondContact O-N 2.78Å
245	P	95.6	Very high	92.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.287	C	S	.	.			trans	-63.8	140.6	-174.4	26.8	-35.4	0	0	0	112	M241 L253 V254 L262 H350	M241-P245 WeakPolarHBondContact O-CA 3.34Å; M241-P245 VanDerWaalsContact O-CB 3.24Å; M241-P245 WeakPolarHBondContact O-CB 3.46Å; P245-L253 HydrophobicContact CB-CB 4.27Å; P245-L253 HydrophobicContact CB-CD1 4.18Å; P245-L253 HydrophobicContact CB-CG 4.44Å; P245-L253 HydrophobicContact CG-CB 4.27Å; P245-L253 PolarHBondContact O-N 2.85Å; P245-V254 HydrophobicContact CG-CG2 4.05Å; P245-L262 HydrophobicContact CG-CD1 3.62Å; P245-H350 HydrophobicContact CG-CB 4.28Å
246	K	92.8	Very high	90.6	Very high	86 Å²	86	58 Å²	58	37%	0.374	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-130.5	148.9	-177.9	-67.8	167	-177.2	170	0	111.1	G250 K251	K246-G250 WeakPolarHBondContact CD-O 3.49Å; K246-K251 CarbonylContact C-O 3.54Å; K246-K251 WeakPolarHBondContact CA-O 3.42Å
247	D	86.8	Confident	88.8	Confident	45 Å²	45	68 Å²	68	24%	0.241	34%	0.344	C	S	.	.			trans	-70.6	176.9	167.5	61.7	29.2	0	0	0	112	Q249 G250 K251 L253	D247-Q249 PolarHBondContact O-N 3.22Å; D247-Q249 WeakPolarHBondContact OD1-CA 3.34Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.36Å; D247-Q249 PolarHBondContact OD1-N 2.85Å; D247-G250 PolarHBondContact O-N 3.1Å; D247-G250 PolarHBondContact OD1-N 3.38Å; D247-G250 VanDerWaalsContact OD1-N 3.09Å; D247-K251 PolarHBondContact N-O 3.34Å; D247-K251 WeakPolarHBondContact OD1-CB 3.48Å; D247-K251 PolarHBondContact OD1-N 3.4Å; D247-K251 WeakPolarHBondContact OD2-CB 3.48Å; D247-L253 HydrophobicContact CB-CD2 3.8Å
248	S	81.3	Confident	87.4	Confident	116 Å²	116	73.6 Å²	73.6	81%	0.811	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16	176.3	51.8	0	0	0	0	114
249	Q	85.9	Confident	86.3	Confident	173 Å²	173	74.6 Å²	74.6	81%	0.808	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	3.9	173.6	-58.7	-174.5	-6.3	0	0	112.5	D247 K251	D247-Q249 PolarHBondContact O-N 3.22Å; D247-Q249 WeakPolarHBondContact OD1-CA 3.34Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.36Å; D247-Q249 PolarHBondContact OD1-N 2.85Å; Q249-K251 VanDerWaalsContact C-N 3.29Å; Q249-K251 PolarHBondContact O-N 3.28Å
250	G	86.8	Confident	85.9	Confident	44 Å²	44	69.5 Å²	69.5	45%	0.454	35%	0.351	S	S	.	.	S	Bend	trans	78.1	8	179.5	0	0	0	0	0	114.7	K246 D247	K246-G250 WeakPolarHBondContact CD-O 3.49Å; D247-G250 PolarHBondContact O-N 3.1Å; D247-G250 PolarHBondContact OD1-N 3.38Å; D247-G250 VanDerWaalsContact OD1-N 3.09Å
251	K	88.1	Confident	85.8	Confident	137 Å²	137	66.1 Å²	66.1	60%	0.596	34%	0.338	S	S	*	.			trans	-86.3	139.5	178.8	171.8	-172.5	178.4	-174.1	0	110.1	K246 D247 Q249 L253	K246-K251 CarbonylContact C-O 3.54Å; K246-K251 WeakPolarHBondContact CA-O 3.42Å; D247-K251 PolarHBondContact N-O 3.34Å; D247-K251 WeakPolarHBondContact OD1-CB 3.48Å; D247-K251 PolarHBondContact OD1-N 3.4Å; D247-K251 WeakPolarHBondContact OD2-CB 3.48Å; Q249-K251 VanDerWaalsContact C-N 3.29Å; Q249-K251 PolarHBondContact O-N 3.28Å; K251-L253 PolarHBondContact O-N 3.35Å
252	S	88.5	Confident	85.8	Confident	43 Å²	43	65.5 Å²	65.5	30%	0.301	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-57.2	129.2	-179.4	-178.6	0	0	0	0	112	V254	S252-V254 VanDerWaalsContact C-N 3.28Å; S252-V254 PolarHBondContact OG-N 3.05Å; S252-V254 VanDerWaalsContact OG-N 3.15Å; S252-V254 PolarHBondContact OG-O 3.47Å
253	L	85.3	Confident	85.8	Confident	34 Å²	34	65.6 Å²	65.6	18%	0.178	34%	0.335	C	S	.	.	S	Bend	trans	-71.7	-24.3	169.6	-66.2	-171.7	0	0	0	112.2	P245 D247 K251	P245-L253 HydrophobicContact CB-CB 4.27Å; P245-L253 HydrophobicContact CB-CD1 4.18Å; P245-L253 HydrophobicContact CB-CG 4.44Å; P245-L253 HydrophobicContact CG-CB 4.27Å; P245-L253 PolarHBondContact O-N 2.85Å; D247-L253 HydrophobicContact CB-CD2 3.8Å; K251-L253 PolarHBondContact O-N 3.35Å
254	V	86.3	Confident	85.9	Confident	7 Å²	7	65.3 Å²	65.3	4%	0.042	33%	0.334	C	S	.	.	S	Bend	trans	-91.2	114.6	173.2	-176.9	0	0	0	0	109.3	P245 S252 D256 L262	P245-V254 HydrophobicContact CG-CG2 4.05Å; S252-V254 VanDerWaalsContact C-N 3.28Å; S252-V254 PolarHBondContact OG-N 3.05Å; S252-V254 VanDerWaalsContact OG-N 3.15Å; S252-V254 PolarHBondContact OG-O 3.47Å; V254-D256 PolarHBondContact O-N 2.83Å; V254-L262 HydrophobicContact CG2-CB 3.97Å; V254-L262 HydrophobicContact CG2-CD1 3.48Å; V254-L262 VanDerWaalsContact CG2-CD1 3.48Å; V254-L262 HydrophobicContact CG2-CG 4.33Å
255	K	78.2	Confident	86	Confident	86 Å²	86	62.1 Å²	62.1	37%	0.374	32%	0.316	S	S	.	.			trans	-88.7	78.5	177	-57.7	-170.1	-171.7	-177.9	0	112.1	R257 E258 G259 E260	K255-R257 PolarHBondContact O-N 3.36Å; K255-R257 VanDerWaalsContact O-N 3.14Å; K255-E258 HydrophobicContact CB-CB 3.95Å; K255-E258 HydrophobicContact CB-CG 4.22Å; K255-E258 HydrophobicContact CD-CB 4.39Å; K255-E258 HydrophobicContact CD-CG 4.11Å; K255-E258 WeakPolarHBondContact CD-OE1 3.34Å; K255-E258 WeakPolarHBondContact CD-OE2 3.48Å; K255-E258 IonicContact NZ-OE1 2.85Å; K255-E258 PolarHBondContact NZ-OE1 2.91Å; K255-E258 IonicContact NZ-OE2 3.16Å; K255-E258 PolarHBondContact NZ-OE2 2.88Å; K255-E258 PolarHBondContact O-N 3.37Å; K255-G259 PolarHBondContact O-N 3.3Å; K255-E260 HydrophobicContact CB-CB 4.21Å; K255-E260 WeakPolarHBondContact CB-OE2 3.47Å; K255-E260 WeakPolarHBondContact CG-OE2 3.42Å; K255-E260 PolarHBondContact N-OE2 2.77Å; K255-E260 VanDerWaalsContact N-OE2 3.1Å; K255-E260 PolarHBondContact O-N 3.41Å
256	D	67.2	Low	86.1	Confident	81 Å²	81	62.1 Å²	62.1	43%	0.433	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-54.7	-36.9	-177.6	-85.3	-45.7	0	0	0	113.9	V254 E258 G259 K677	V254-D256 PolarHBondContact O-N 2.83Å; D256-E258 VanDerWaalsContact C-N 3.29Å; D256-E258 PolarHBondContact O-N 2.96Å; D256-G259 PolarHBondContact O-N 2.91Å; D256-K677 IonicContact OD1-NZ 2.67Å; D256-K677 PolarHBondContact OD1-NZ 2.94Å
257	R	61.7	Low	86.4	Confident	255 Å²	255	58 Å²	58	96%	0.962	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-69.7	-19.7	176.6	-66.2	-174.1	-179.1	-175.6	0.6	114.5	K255	K255-R257 PolarHBondContact O-N 3.36Å; K255-R257 VanDerWaalsContact O-N 3.14Å
258	E	68.1	Low	86.8	Confident	140 Å²	140	57 Å²	57	65%	0.654	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-96.2	5.3	174.7	-65.3	-178.5	-153.6	0	0	111.7	K255 D256 E260	K255-E258 HydrophobicContact CB-CB 3.95Å; K255-E258 HydrophobicContact CB-CG 4.22Å; K255-E258 HydrophobicContact CD-CB 4.39Å; K255-E258 HydrophobicContact CD-CG 4.11Å; K255-E258 WeakPolarHBondContact CD-OE1 3.34Å; K255-E258 WeakPolarHBondContact CD-OE2 3.48Å; K255-E258 IonicContact NZ-OE1 2.85Å; K255-E258 PolarHBondContact NZ-OE1 2.91Å; K255-E258 IonicContact NZ-OE2 3.16Å; K255-E258 PolarHBondContact NZ-OE2 2.88Å; K255-E258 PolarHBondContact O-N 3.37Å; D256-E258 VanDerWaalsContact C-N 3.29Å; D256-E258 PolarHBondContact O-N 2.96Å; E258-E260 VanDerWaalsContact C-N 3.34Å
259	G	76.5	Confident	87.1	Confident	27 Å²	27	52 Å²	52	28%	0.278	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	5.7	180	0	0	0	0	0	115	K255 D256 K677	K255-G259 PolarHBondContact O-N 3.3Å; D256-G259 PolarHBondContact O-N 2.91Å; G259-K677 WeakPolarHBondContact O-CD 3.2Å; G259-K677 WeakPolarHBondContact O-CG 3.32Å
260	E	87.8	Confident	87.3	Confident	26 Å²	26	44.7 Å²	44.7	12%	0.121	23%	0.231	C	C	.	.			trans	-66.3	138.5	-176.8	-173.1	171.5	-159.3	0	0	112.3	K255 E258 R347 H350 R387 K677	K255-E260 HydrophobicContact CB-CB 4.21Å; K255-E260 WeakPolarHBondContact CB-OE2 3.47Å; K255-E260 WeakPolarHBondContact CG-OE2 3.42Å; K255-E260 PolarHBondContact N-OE2 2.77Å; K255-E260 VanDerWaalsContact N-OE2 3.1Å; K255-E260 PolarHBondContact O-N 3.41Å; E258-E260 VanDerWaalsContact C-N 3.34Å; E260-R347 IonicContact OE1-CZ 3.46Å; E260-R347 IonicContact OE1-NH1 3.68Å; E260-R347 PolarHBondContact OE1-NH1 3Å; E260-R347 IonicContact OE1-NH2 3.84Å; E260-H350 IonicContact OE1-NE2 2.66Å; E260-R387 IonicContact OE1-NH1 2.78Å; E260-R387 PolarHBondContact OE1-NH1 2.87Å; E260-K677 WeakPolarHBondContact O-CE 3.38Å; E260-K677 PolarHBondContact O-NZ 2.67Å
261	L	95.6	Very high	87.8	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.219	C	C	.	.			trans	-91.6	146.6	175	-70.4	169.6	0	0	0	111.4	Y263 K287 H350 K677 K680 A681	L261-Y263 HydrophobicContact CB-CE1 4.21Å; L261-Y263 HydrophobicContact CB-CE2 4.15Å; L261-Y263 HydrophobicContact CD1-CE1 4.26Å; L261-Y263 WeakPolarHBondContact O-CD2 3.45Å; L261-Y263 PolarHBondContact O-N 2.9Å; L261-K287 HydrophobicContact CD1-CB 4.24Å; L261-H350 PolarHBondContact O-CE1 3.28Å; L261-K677 HydrophobicContact CD2-CD 4.32Å; L261-K677 HydrophobicContact CD2-CG 3.63Å; L261-K677 HydrophobicContact CG-CG 4.15Å; L261-K680 HydrophobicContact CD1-CB 3.88Å; L261-K680 HydrophobicContact CD1-CD 4.27Å; L261-K680 HydrophobicContact CD1-CG 4Å; L261-A681 HydrophobicContact CD1-CB 3.87Å; L261-A681 HydrophobicContact CD2-CB 3.81Å
262	L	97.8	Very high	88.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	96.1	163.7	-177.3	71.6	0	0	0	109.5	P245 V254 K282 H285 A286 K287 H350 F351	P245-L262 HydrophobicContact CG-CD1 3.62Å; V254-L262 HydrophobicContact CG2-CB 3.97Å; V254-L262 HydrophobicContact CG2-CD1 3.48Å; V254-L262 VanDerWaalsContact CG2-CD1 3.48Å; V254-L262 HydrophobicContact CG2-CG 4.33Å; L262-K282 HydrophobicContact CD2-CD 4.14Å; L262-K282 HydrophobicContact CD2-CG 3.76Å; L262-H285 PolarHBondContact N-O 3.27Å; L262-A286 HydrophobicContact CB-CB 4.12Å; L262-A286 HydrophobicContact CD2-CB 4.46Å; L262-A286 VanDerWaalsContact O-CA 3.24Å; L262-A286 WeakPolarHBondContact O-CA 3.48Å; L262-A286 WeakPolarHBondContact O-CB 3.11Å; L262-K287 PolarHBondContact O-N 3.09Å; L262-H350 HydrophobicContact CD1-CB 3.92Å; L262-F351 HydrophobicContact CD1-CD1 4.41Å; L262-F351 HydrophobicContact CD1-CE1 4.01Å; L262-F351 HydrophobicContact CD2-CE1 3.96Å; L262-F351 HydrophobicContact CG-CE1 4.03Å
263	Y	98.4	Very high	88.6	Confident	3 Å²	3	35.4 Å²	35.4	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.7	170.3	-63.7	-68.3	0	0	0	112.1	L261 K287 F289 T344 H350 K680	L261-Y263 HydrophobicContact CB-CE1 4.21Å; L261-Y263 HydrophobicContact CB-CE2 4.15Å; L261-Y263 HydrophobicContact CD1-CE1 4.26Å; L261-Y263 WeakPolarHBondContact O-CD2 3.45Å; L261-Y263 PolarHBondContact O-N 2.9Å; Y263-K287 WeakPolarHBondContact CA-O 3.21Å; Y263-K287 HydrophobicContact CD1-CB 3.82Å; Y263-K287 HydrophobicContact CD1-CG 3.98Å; Y263-K287 HydrophobicContact CE1-CB 3.89Å; Y263-K287 HydrophobicContact CE1-CG 3.96Å; Y263-F289 AromaticContact CD1-CE2 3.73Å; Y263-F289 HydrophobicContact CD1-CE2 3.73Å; Y263-F289 HydrophobicContact CD1-CZ 4.05Å; Y263-F289 HydrophobicContact CE1-CE2 4.44Å; Y263-F289 HydrophobicContact CE1-CZ 4.31Å; Y263-T344 HydrophobicContact CD1-CG2 3.88Å; Y263-T344 HydrophobicContact CD2-CG2 4.17Å; Y263-T344 HydrophobicContact CE1-CG2 4.41Å; Y263-T344 HydrophobicContact CG-CG2 3.73Å; Y263-H350 PolarHBondContact N-ND1 3.45Å; Y263-H350 VanDerWaalsContact N-ND1 3.14Å; Y263-H350 WeakPolarHBondContact O-CB 3.44Å; Y263-H350 PolarHBondContact O-N 3.14Å; Y263-H350 PolarHBondContact O-ND1 2.69Å; Y263-K680 VanDerWaalsContact OH-CD 3.27Å; Y263-K680 WeakPolarHBondContact OH-CD 3.27Å; Y263-K680 WeakPolarHBondContact OH-CE 3.41Å; Y263-K680 PolarHBondContact OH-NZ 2.93Å
264	F	98.8	Very high	89.2	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	162	174.7	74.9	-86.4	0	0	0	111.9	D266 I278 L279 A286 K287 G288 F289 F312 F351 M353	F264-D266 HydrophobicContact CE2-CB 4.48Å; F264-I278 HydrophobicContact CD1-CG2 3.66Å; F264-I278 HydrophobicContact CD2-CG2 4.44Å; F264-I278 HydrophobicContact CE1-CB 4.3Å; F264-I278 HydrophobicContact CE1-CG2 3.56Å; F264-I278 HydrophobicContact CE2-CB 4.4Å; F264-I278 HydrophobicContact CE2-CG2 4.35Å; F264-I278 HydrophobicContact CG-CG2 4.11Å; F264-I278 HydrophobicContact CZ-CB 4.15Å; F264-I278 HydrophobicContact CZ-CG2 3.92Å; F264-L279 HydrophobicContact CE1-CD2 3.71Å; F264-L279 HydrophobicContact CE1-CG 4.16Å; F264-L279 HydrophobicContact CZ-CD1 4.44Å; F264-L279 HydrophobicContact CZ-CD2 3.98Å; F264-L279 HydrophobicContact CZ-CG 3.93Å; F264-A286 HydrophobicContact CD1-CB 4.4Å; F264-A286 HydrophobicContact CE1-CB 4.25Å; F264-K287 WeakPolarHBondContact CD1-O 3.43Å; F264-K287 PolarHBondContact N-O 3.21Å; F264-K287 VanDerWaalsContact N-O 3.11Å; F264-G288 VanDerWaalsContact CZ-CA 3.44Å; F264-G288 WeakPolarHBondContact O-CA 3.48Å; F264-F289 PolarHBondContact O-N 2.8Å; F264-F312 HydrophobicContact CE2-CD2 4.38Å; F264-F312 HydrophobicContact CE2-CE2 4.1Å; F264-F312 HydrophobicContact CZ-CD2 4.18Å; F264-F312 HydrophobicContact CZ-CE2 4.36Å; F264-F351 VanDerWaalsContact CA-O 3.32Å; F264-F351 WeakPolarHBondContact CA-O 3.09Å; F264-F351 HydrophobicContact CB-CD1 4.04Å; F264-F351 HydrophobicContact CB-CD2 4.04Å; F264-F351 HydrophobicContact CB-CE1 3.51Å; F264-F351 HydrophobicContact CB-CE2 3.55Å; F264-F351 HydrophobicContact CB-CG 4.27Å; F264-F351 HydrophobicContact CB-CZ 3.27Å; F264-F351 HydrophobicContact CD1-CZ 4.46Å; F264-F351 HydrophobicContact CD2-CE2 4.33Å; F264-F351 HydrophobicContact CD2-CZ 4.39Å; F264-F351 HydrophobicContact CG-CE1 4.42Å; F264-F351 HydrophobicContact CG-CE2 4.16Å; F264-F351 AromaticContact CG-CZ 3.83Å; F264-F351 HydrophobicContact CG-CZ 3.83Å; F264-M353 HydrophobicContact CD2-CE 3.73Å; F264-M353 HydrophobicContact CE2-CE 3.87Å
265	G	98.7	Very high	89.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.4	171.8	0	0	0	0	0	112	F289 F351 M353	G265-F289 CarbonylContact C-O 3.5Å; G265-F289 WeakPolarHBondContact CA-O 3.36Å; G265-F351 PolarHBondContact N-O 2.79Å; G265-F351 VanDerWaalsContact N-O 3.08Å; G265-M353 PolarHBondContact O-N 2.93Å
266	D	98.6	Very high	90.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	106	179.5	-161	19.3	0	0	0	109.3	F264 A269 S275 F289 G290 M291 F312 M353	F264-D266 HydrophobicContact CE2-CB 4.48Å; D266-A269 HydrophobicContact CB-CB 4.14Å; D266-A269 WeakPolarHBondContact OD1-CB 3.46Å; D266-A269 WeakPolarHBondContact OD2-CB 3.47Å; D266-S275 WeakPolarHBondContact CB-OG 3.39Å; D266-S275 VanDerWaalsContact CG-OG 3.25Å; D266-S275 WeakPolarHBondContact OD2-CB 3.33Å; D266-S275 PolarHBondContact OD2-N 2.83Å; D266-S275 PolarHBondContact OD2-OG 3.5Å; D266-F289 PolarHBondContact N-O 3.12Å; D266-G290 VanDerWaalsContact O-CA 3.3Å; D266-G290 WeakPolarHBondContact O-CA 3.21Å; D266-M291 PolarHBondContact O-N 3.21Å; D266-F312 HydrophobicContact CB-CE2 4.18Å; D266-F312 HydrophobicContact CB-CZ 4.17Å; D266-M353 WeakPolarHBondContact CA-O 3.43Å; D266-M353 HydrophobicContact CB-CE 3.98Å
267	V	98.4	Very high	92.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.8	-171.8	-63.4	0	0	0	0	113	A269 M291 I327 F336 L352 M353 A354 D355 T381	V267-A269 PolarHBondContact O-N 2.88Å; V267-M291 CarbonylContact C-O 3.3Å; V267-M291 VanDerWaalsContact CA-O 3.28Å; V267-M291 WeakPolarHBondContact CA-O 3.38Å; V267-M291 HydrophobicContact CG1-CB 4.25Å; V267-I327 HydrophobicContact CB-CD1 4.09Å; V267-I327 HydrophobicContact CG2-CD1 4.08Å; V267-F336 HydrophobicContact CG1-CE1 3.77Å; V267-F336 HydrophobicContact CG1-CZ 4Å; V267-L352 HydrophobicContact CG1-CD1 4.04Å; V267-L352 HydrophobicContact CG2-CD1 4.24Å; V267-L352 HydrophobicContact CG2-CD2 4.12Å; V267-L352 HydrophobicContact CG2-CG 4.32Å; V267-M353 PolarHBondContact N-O 3.26Å; V267-A354 HydrophobicContact CG2-CB 3.68Å; V267-A354 WeakPolarHBondContact O-CA 3.11Å; V267-D355 PolarHBondContact O-N 3.07Å; V267-T381 HydrophobicContact CG1-CG2 4.2Å
268	C	95.4	Very high	94	Very high	25 Å²	25	13.6 Å²	13.6	17%	0.169	8%	0.083	C	C	.	.	S	Bend	trans	53.6	35.8	-171.6	-52.2	0	0	0	0	112.3	M291 D355	C268-M291 PolarHBondContact N-O 2.74Å; C268-D355 CarbonylContact O-C 3.56Å
269	A	87.1	Confident	95.5	Very high	9 Å²	9	6.9 Å²	6.9	7%	0.074	5%	0.052	C	C	.	.			trans	-114	6.8	-158	0	0	0	0	0	115	D266 V267 G272 T292 F299	D266-A269 HydrophobicContact CB-CB 4.14Å; D266-A269 WeakPolarHBondContact OD1-CB 3.46Å; D266-A269 WeakPolarHBondContact OD2-CB 3.47Å; V267-A269 PolarHBondContact O-N 2.88Å; A269-G272 VanDerWaalsContact O-CA 3.25Å; A269-G272 WeakPolarHBondContact O-CA 3.41Å; A269-G272 PolarHBondContact O-N 2.91Å; A269-T292 PolarHBondContact N-OG1 3.39Å; A269-F299 HydrophobicContact CB-CE1 4.09Å; A269-F299 HydrophobicContact CB-CZ 4.45Å
270	G	90.9	Very high	96.5	Very high	20 Å²	20	8.1 Å²	8.1	21%	0.206	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	136.5	174.6	0	0	0	0	0	111.3	T292 C297	G270-T292 PolarHBondContact N-OG1 2.83Å; G270-C297 WeakPolarHBondContact CA-O 3.39Å
271	P	95.8	Very high	96.9	Very high	29 Å²	29	10.1 Å²	10.1	19%	0.188	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.4	2.5	9.2	31.8	-36.4	0	0	0	116.9	L224 D298 K300	L224-P271 HydrophobicContact CD1-CB 4.14Å; L224-P271 HydrophobicContact CD1-CG 3.58Å; P271-D298 WeakPolarHBondContact CA-O 3.32Å; P271-K300 HydrophobicContact CB-CB 3.96Å; P271-K300 HydrophobicContact CB-CD 3.94Å; P271-K300 HydrophobicContact CB-CG 3.76Å; P271-K300 PolarHBondContact O-N 3.15Å
272	G	96.6	Very high	96.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.			trans	112.5	21.7	172.5	0	0	0	0	0	116.6	A269 F274 S275 E276 F304	A269-G272 VanDerWaalsContact O-CA 3.25Å; A269-G272 WeakPolarHBondContact O-CA 3.41Å; A269-G272 PolarHBondContact O-N 2.91Å; G272-F274 PolarHBondContact O-N 2.92Å; G272-S275 WeakPolarHBondContact O-CB 3.13Å; G272-S275 PolarHBondContact O-N 3.48Å; G272-E276 PolarHBondContact O-N 3.39Å; G272-F304 WeakPolarHBondContact O-CZ 3.36Å
273	G	97.1	Very high	96.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-39.9	-174	0	0	0	0	0	114.7	A228 E276 Y277	A228-G273 VanDerWaalsContact CA-O 3.31Å; A228-G273 WeakPolarHBondContact CA-O 3.32Å; A228-G273 WeakPolarHBondContact CB-O 3.14Å; G273-E276 PolarHBondContact O-N 2.97Å; G273-Y277 PolarHBondContact O-N 3.38Å
274	F	98.5	Very high	96.7	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-61.1	-49	175.8	-78	8.2	0	0	0	111.3	A227 K230 M231 G272 E276 Y277 I278 M353 D355 Y434	A227-F274 HydrophobicContact CB-CD1 3.95Å; A227-F274 HydrophobicContact CB-CE1 3.85Å; A227-F274 VanDerWaalsContact O-CD1 3.24Å; A227-F274 WeakPolarHBondContact O-CD1 3.27Å; A227-F274 WeakPolarHBondContact O-CE1 3.47Å; K230-F274 HydrophobicContact CB-CE1 4.24Å; M231-F274 HydrophobicContact CB-CB 4.45Å; M231-F274 HydrophobicContact CB-CD1 3.67Å; M231-F274 HydrophobicContact CB-CE1 4.04Å; M231-F274 HydrophobicContact CB-CG 4.07Å; M231-F274 HydrophobicContact CG-CB 4.34Å; M231-F274 HydrophobicContact CG-CD1 4.23Å; M231-F274 HydrophobicContact CG-CG 4.12Å; M231-F274 HydrophobicContact SD-CD2 4.13Å; M231-F274 HydrophobicContact SD-CE2 4.1Å; M231-F274 HydrophobicContact SD-CG 4.31Å; M231-F274 HydrophobicContact SD-CZ 4.29Å; G272-F274 PolarHBondContact O-N 2.92Å; F274-E276 VanDerWaalsContact C-N 3.34Å; F274-E276 PolarHBondContact O-N 2.89Å; F274-Y277 PolarHBondContact O-N 2.66Å; F274-I278 PolarHBondContact O-N 3.47Å; F274-M353 HydrophobicContact CB-CE 3.74Å; F274-M353 HydrophobicContact CB-SD 3.92Å; F274-M353 HydrophobicContact CD2-CB 3.74Å; F274-M353 HydrophobicContact CD2-SD 4.27Å; F274-M353 HydrophobicContact CE2-CB 4.37Å; F274-M353 HydrophobicContact CG-SD 4.42Å; F274-D355 HydrophobicContact CD2-CB 4.15Å; F274-D355 HydrophobicContact CE2-CB 3.66Å; F274-D355 HydrophobicContact CZ-CB 3.92Å; F274-Y434 HydrophobicContact CE2-CE1 4.32Å; F274-Y434 AromaticContact CZ-CE1 3.81Å; F274-Y434 HydrophobicContact CZ-CE1 3.81Å
275	S	98.6	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57	-40	172.3	-70.3	0	0	0	0	114.2	D266 G272 Y277 I278 L279 F312	D266-S275 WeakPolarHBondContact CB-OG 3.39Å; D266-S275 VanDerWaalsContact CG-OG 3.25Å; D266-S275 WeakPolarHBondContact OD2-CB 3.33Å; D266-S275 PolarHBondContact OD2-N 2.83Å; D266-S275 PolarHBondContact OD2-OG 3.5Å; G272-S275 WeakPolarHBondContact O-CB 3.13Å; G272-S275 PolarHBondContact O-N 3.48Å; S275-Y277 VanDerWaalsContact C-N 3.34Å; S275-Y277 PolarHBondContact O-N 2.93Å; S275-I278 PolarHBondContact O-N 3.11Å; S275-L279 WeakPolarHBondContact O-CB 3.2Å; S275-L279 WeakPolarHBondContact O-CG 3.3Å; S275-L279 PolarHBondContact O-N 3.34Å; S275-F312 WeakPolarHBondContact OG-CE2 3.31Å; S275-F312 WeakPolarHBondContact OG-CZ 3.36Å
276	E	98.4	Very high	96.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-42.2	177	-163.5	-171.7	-165.4	0	0	111.3	F223 L224 G272 G273 F274 W280 F304 Y305 A306 A307	F223-E276 VanDerWaalsContact CA-OE2 3.29Å; F223-E276 WeakPolarHBondContact CA-OE2 3.31Å; F223-E276 WeakPolarHBondContact CB-OE2 3.43Å; F223-E276 HydrophobicContact CD1-CB 4.49Å; F223-E276 HydrophobicContact CD1-CG 4.07Å; L224-E276 WeakPolarHBondContact CB-OE2 3.34Å; L224-E276 HydrophobicContact CD2-CB 4.12Å; L224-E276 WeakPolarHBondContact CD2-OE2 3.41Å; L224-E276 WeakPolarHBondContact CG-OE2 3.37Å; L224-E276 PolarHBondContact N-OE2 2.78Å; G272-E276 PolarHBondContact O-N 3.39Å; G273-E276 PolarHBondContact O-N 2.97Å; F274-E276 VanDerWaalsContact C-N 3.34Å; F274-E276 PolarHBondContact O-N 2.89Å; E276-W280 WeakPolarHBondContact O-CB 3.27Å; E276-W280 PolarHBondContact O-N 2.94Å; E276-F304 HydrophobicContact CB-CD1 4.44Å; E276-F304 HydrophobicContact CB-CD2 3.92Å; E276-F304 HydrophobicContact CB-CE1 4.49Å; E276-F304 HydrophobicContact CB-CE2 3.98Å; E276-F304 HydrophobicContact CB-CG 4.17Å; E276-F304 HydrophobicContact CB-CZ 4.28Å; E276-F304 HydrophobicContact CG-CB 4.2Å; E276-F304 HydrophobicContact CG-CD2 3.97Å; E276-F304 HydrophobicContact CG-CG 3.98Å; E276-F304 WeakPolarHBondContact OE1-CA 3.43Å; E276-Y305 PolarHBondContact OE1-N 3.03Å; E276-A306 HydrophobicContact CG-CB 4.32Å; E276-A306 WeakPolarHBondContact OE1-CB 3.5Å; E276-A306 PolarHBondContact OE1-N 2.82Å; E276-A307 HydrophobicContact CG-CB 3.72Å; E276-A307 WeakPolarHBondContact O-CB 3.4Å
277	Y	98.6	Very high	96.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.3	-51.4	175.3	168.9	-105.5	0	0	0	112.3	F223 M231 A232 D235 T243 G273 F274 S275 L279 W280 R281	F223-Y277 HydrophobicContact CE2-CD2 4.38Å; F223-Y277 AromaticContact CZ-CD2 3.92Å; F223-Y277 HydrophobicContact CZ-CD2 3.92Å; M231-Y277 HydrophobicContact CB-CD1 3.98Å; M231-Y277 HydrophobicContact CB-CG 4.43Å; M231-Y277 HydrophobicContact CG-CD1 4.04Å; A232-Y277 HydrophobicContact CB-CD2 3.59Å; A232-Y277 HydrophobicContact CB-CE2 3.46Å; A232-Y277 VanDerWaalsContact CB-CE2 3.46Å; A232-Y277 HydrophobicContact CB-CG 4.27Å; D235-Y277 HydrophobicContact CB-CE1 3.76Å; D235-Y277 WeakPolarHBondContact OD2-CE1 3.39Å; D235-Y277 PolarHBondContact OD2-OH 3.09Å; T243-Y277 HydrophobicContact CG2-CE1 3.92Å; G273-Y277 PolarHBondContact O-N 3.38Å; F274-Y277 PolarHBondContact O-N 2.66Å; S275-Y277 VanDerWaalsContact C-N 3.34Å; S275-Y277 PolarHBondContact O-N 2.93Å; Y277-L279 PolarHBondContact O-N 3.05Å; Y277-W280 HydrophobicContact CD2-CE3 4.03Å; Y277-W280 HydrophobicContact CD2-CZ3 4.22Å; Y277-W280 HydrophobicContact CE2-CE3 4.08Å; Y277-W280 AromaticContact CE2-CZ3 3.89Å; Y277-W280 HydrophobicContact CE2-CZ3 3.89Å; Y277-W280 PolarHBondContact O-N 3.23Å; Y277-R281 WeakPolarHBondContact O-CB 3.46Å; Y277-R281 PolarHBondContact O-N 2.9Å; Y277-R281 PolarHBondContact OH-NE 2.79Å; Y277-R281 PolarHBondContact OH-NH2 3.18Å
278	I	98.6	Very high	96.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-47.3	-178.3	-62.1	-59.3	0	0	0	110.9	F242 T243 F264 F274 S275 R281 K282 F351 M353	F242-I278 HydrophobicContact CB-CD1 4.46Å; T243-I278 HydrophobicContact CG2-CD1 3.57Å; F264-I278 HydrophobicContact CD1-CG2 3.66Å; F264-I278 HydrophobicContact CD2-CG2 4.44Å; F264-I278 HydrophobicContact CE1-CB 4.3Å; F264-I278 HydrophobicContact CE1-CG2 3.56Å; F264-I278 HydrophobicContact CE2-CB 4.4Å; F264-I278 HydrophobicContact CE2-CG2 4.35Å; F264-I278 HydrophobicContact CG-CG2 4.11Å; F264-I278 HydrophobicContact CZ-CB 4.15Å; F264-I278 HydrophobicContact CZ-CG2 3.92Å; F274-I278 PolarHBondContact O-N 3.47Å; S275-I278 PolarHBondContact O-N 3.11Å; I278-R281 PolarHBondContact O-N 2.97Å; I278-K282 WeakPolarHBondContact O-CB 3.08Å; I278-K282 WeakPolarHBondContact O-CG 3.32Å; I278-K282 PolarHBondContact O-N 2.96Å; I278-F351 HydrophobicContact CD1-CE2 4.02Å; I278-F351 HydrophobicContact CD1-CZ 3.76Å; I278-F351 HydrophobicContact CG1-CE2 4.17Å; I278-F351 HydrophobicContact CG1-CZ 4.01Å; I278-F351 HydrophobicContact CG2-CZ 3.97Å; I278-M353 HydrophobicContact CD1-SD 4.19Å; I278-M353 HydrophobicContact CG1-CE 3.8Å; I278-M353 HydrophobicContact CG1-SD 3.8Å
279	L	98.3	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70.6	-30.8	-179	-67.2	178.4	0	0	0	112.7	F264 S275 Y277 R283 A286 F304 A307 L311 F312	F264-L279 HydrophobicContact CE1-CD2 3.71Å; F264-L279 HydrophobicContact CE1-CG 4.16Å; F264-L279 HydrophobicContact CZ-CD1 4.44Å; F264-L279 HydrophobicContact CZ-CD2 3.98Å; F264-L279 HydrophobicContact CZ-CG 3.93Å; S275-L279 WeakPolarHBondContact O-CB 3.2Å; S275-L279 WeakPolarHBondContact O-CG 3.3Å; S275-L279 PolarHBondContact O-N 3.34Å; Y277-L279 PolarHBondContact O-N 3.05Å; L279-R283 WeakPolarHBondContact O-CA 3.38Å; L279-R283 PolarHBondContact O-N 2.88Å; L279-A286 HydrophobicContact CD2-CB 4.11Å; L279-F304 HydrophobicContact CD1-CE2 4.32Å; L279-A307 HydrophobicContact CB-CB 3.7Å; L279-L311 HydrophobicContact CD1-CB 4.27Å; L279-L311 HydrophobicContact CD2-CB 3.74Å; L279-L311 HydrophobicContact CD2-CD1 4.15Å; L279-F312 HydrophobicContact CD1-CB 3.97Å; L279-F312 HydrophobicContact CD1-CD2 4.45Å
280	W	97.6	Very high	97.1	Very high	52 Å²	52	18.9 Å²	18.9	20%	0.197	9%	0.085	C	C	.	.	H	α-helix	trans	-65.9	-46.3	170.4	166.9	79.4	0	0	0	111.5	I222 F223 E276 Y277 A306 A307 V532 P533	I222-W280 HydrophobicContact CD1-CD2 4.4Å; I222-W280 HydrophobicContact CD1-CZ2 4.1Å; F223-W280 HydrophobicContact CE1-CB 3.85Å; F223-W280 AromaticContact CE1-CD2 3.9Å; F223-W280 HydrophobicContact CE1-CD2 3.9Å; F223-W280 HydrophobicContact CE1-CE3 4Å; F223-W280 AromaticContact CE1-CG 3.83Å; F223-W280 HydrophobicContact CE1-CG 3.83Å; F223-W280 AromaticContact CZ-CD2 3.84Å; F223-W280 HydrophobicContact CZ-CD2 3.84Å; F223-W280 AromaticContact CZ-CE3 3.6Å; F223-W280 HydrophobicContact CZ-CE3 3.6Å; F223-W280 HydrophobicContact CZ-CG 4.28Å; F223-W280 HydrophobicContact CZ-CZ3 4.05Å; E276-W280 WeakPolarHBondContact O-CB 3.27Å; E276-W280 PolarHBondContact O-N 2.94Å; Y277-W280 HydrophobicContact CD2-CE3 4.03Å; Y277-W280 HydrophobicContact CD2-CZ3 4.22Å; Y277-W280 HydrophobicContact CE2-CE3 4.08Å; Y277-W280 AromaticContact CE2-CZ3 3.89Å; Y277-W280 HydrophobicContact CE2-CZ3 3.89Å; Y277-W280 PolarHBondContact O-N 3.23Å; W280-A306 HydrophobicContact CB-CB 4.33Å; W280-A306 HydrophobicContact CG-CB 4.26Å; W280-A307 HydrophobicContact CB-CB 4.06Å; W280-V532 HydrophobicContact CH2-CG2 4.39Å; W280-V532 HydrophobicContact CZ3-CG2 4.44Å; W280-P533 VanDerWaalsContact CZ2-CD 3.47Å; W280-P533 HydrophobicContact CZ2-CG 4.11Å
281	R	97.4	Very high	97.5	Very high	68 Å²	68	18 Å²	18	26%	0.257	8%	0.076	S	C	.	.	H	α-helix	trans	-66.7	-40.8	-179.3	-174.2	72.8	77.9	-171.8	5.9	112.1	T243 Y277 I278 W530 G531	T243-R281 HydrophobicContact CG2-CB 4.14Å; T243-R281 HydrophobicContact CG2-CG 3.91Å; Y277-R281 WeakPolarHBondContact O-CB 3.46Å; Y277-R281 PolarHBondContact O-N 2.9Å; Y277-R281 PolarHBondContact OH-NE 2.79Å; Y277-R281 PolarHBondContact OH-NH2 3.18Å; I278-R281 PolarHBondContact O-N 2.97Å; R281-W530 PolarHBondContact NH2-O 3.13Å; R281-G531 PolarHBondContact NH1-O 2.84Å
282	K	96.1	Very high	97.6	Very high	33 Å²	33	17 Å²	17	14%	0.143	7%	0.069	C	C	.	.	H	α-helix	trans	-102.1	-16.4	-170.7	-61.7	-62	-62.7	-159.9	0	115.1	T243 L262 I278 H285 A286	T243-K282 HydrophobicContact CG2-CG 4.4Å; T243-K282 VanDerWaalsContact O-CD 3.23Å; T243-K282 WeakPolarHBondContact O-CD 3.13Å; T243-K282 VanDerWaalsContact O-CE 3.28Å; T243-K282 WeakPolarHBondContact O-CE 3.48Å; T243-K282 PolarHBondContact O-NZ 3.18Å; L262-K282 HydrophobicContact CD2-CD 4.14Å; L262-K282 HydrophobicContact CD2-CG 3.76Å; I278-K282 WeakPolarHBondContact O-CB 3.08Å; I278-K282 WeakPolarHBondContact O-CG 3.32Å; I278-K282 PolarHBondContact O-N 2.96Å; K282-H285 WeakPolarHBondContact O-CB 3.23Å; K282-H285 PolarHBondContact O-N 3.23Å; K282-A286 HydrophobicContact CB-CB 3.71Å; K282-A286 HydrophobicContact CG-CB 4.47Å
283	R	95.3	Very high	97.5	Very high	126 Å²	126	21.2 Å²	21.2	48%	0.475	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	50.4	-145.8	-176.3	-53.8	-175.1	-176.9	-168.9	1.3	110.4	L279 H285 A286 L311	L279-R283 WeakPolarHBondContact O-CA 3.38Å; L279-R283 PolarHBondContact O-N 2.88Å; R283-H285 PolarHBondContact O-N 3.07Å; R283-A286 PolarHBondContact O-N 3.21Å; R283-L311 WeakPolarHBondContact O-CD1 3.29Å
284	W	95.6	Very high	97.4	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-61.9	3.9	178.7	71.2	-82.9	0	0	0	116.6	L311 L658 N659 T661 M674 K677 F678	W284-L311 HydrophobicContact CB-CD1 4.41Å; W284-L658 HydrophobicContact CD2-CB 4.21Å; W284-L658 HydrophobicContact CE3-CD1 4.48Å; W284-L658 HydrophobicContact CH2-CB 4.47Å; W284-L658 HydrophobicContact CH2-CD1 3.63Å; W284-L658 HydrophobicContact CZ2-CB 4.03Å; W284-L658 HydrophobicContact CZ2-CD1 3.96Å; W284-L658 HydrophobicContact CZ3-CD1 3.92Å; W284-L658 PolarHBondContact NE1-O 3.39Å; W284-N659 HydrophobicContact CB-CB 4.26Å; W284-N659 HydrophobicContact CG-CB 4.35Å; W284-T661 HydrophobicContact CZ2-CG2 4.47Å; W284-T661 PolarHBondContact NE1-OG1 2.84Å; W284-M674 HydrophobicContact CH2-CB 3.91Å; W284-M674 HydrophobicContact CH2-CE 3.75Å; W284-M674 HydrophobicContact CH2-CG 4.19Å; W284-M674 HydrophobicContact CZ2-CE 3.82Å; W284-M674 HydrophobicContact CZ3-CB 4.47Å; W284-M674 WeakPolarHBondContact CZ3-O 3.28Å; W284-K677 HydrophobicContact CZ3-CB 4.21Å; W284-K677 HydrophobicContact CZ3-CD 4.19Å; W284-K677 HydrophobicContact CZ3-CG 4.11Å; W284-F678 HydrophobicContact CB-CD2 3.71Å; W284-F678 HydrophobicContact CB-CE2 4.02Å; W284-F678 HydrophobicContact CD2-CD2 4.02Å; W284-F678 HydrophobicContact CE3-CB 3.74Å; W284-F678 AromaticContact CE3-CD2 3.89Å; W284-F678 HydrophobicContact CE3-CD2 3.89Å; W284-F678 HydrophobicContact CE3-CG 4.34Å; W284-F678 AromaticContact CG-CD2 3.99Å; W284-F678 HydrophobicContact CG-CD2 3.99Å; W284-F678 HydrophobicContact CG-CE2 4.49Å; W284-F678 HydrophobicContact CZ3-CB 3.97Å
285	H	96.4	Very high	97	Very high	55 Å²	55	28.4 Å²	28.4	26%	0.255	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-90.6	-0	171.8	-56.2	-51.3	0	0	0	113.8	L262 K282 R283	L262-H285 PolarHBondContact N-O 3.27Å; K282-H285 WeakPolarHBondContact O-CB 3.23Å; K282-H285 PolarHBondContact O-N 3.23Å; R283-H285 PolarHBondContact O-N 3.07Å
286	A	97.4	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.7	174.8	0	0	0	0	0	112.3	L262 F264 L279 K282 R283	L262-A286 HydrophobicContact CB-CB 4.12Å; L262-A286 HydrophobicContact CD2-CB 4.46Å; L262-A286 VanDerWaalsContact O-CA 3.24Å; L262-A286 WeakPolarHBondContact O-CA 3.48Å; L262-A286 WeakPolarHBondContact O-CB 3.11Å; F264-A286 HydrophobicContact CD1-CB 4.4Å; F264-A286 HydrophobicContact CE1-CB 4.25Å; L279-A286 HydrophobicContact CD2-CB 4.11Å; K282-A286 HydrophobicContact CB-CB 3.71Å; K282-A286 HydrophobicContact CG-CB 4.47Å; R283-A286 PolarHBondContact O-N 3.21Å
287	K	98.1	Very high	95.8	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.022	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	123.6	170.9	168.6	72.1	-169.8	-172	0	107.8	L261 L262 Y263 F264 F289 E313 A681 A683	L261-K287 HydrophobicContact CD1-CB 4.24Å; L262-K287 PolarHBondContact O-N 3.09Å; Y263-K287 WeakPolarHBondContact CA-O 3.21Å; Y263-K287 HydrophobicContact CD1-CB 3.82Å; Y263-K287 HydrophobicContact CD1-CG 3.98Å; Y263-K287 HydrophobicContact CE1-CB 3.89Å; Y263-K287 HydrophobicContact CE1-CG 3.96Å; F264-K287 WeakPolarHBondContact CD1-O 3.43Å; F264-K287 PolarHBondContact N-O 3.21Å; F264-K287 VanDerWaalsContact N-O 3.11Å; K287-F289 HydrophobicContact CD-CE1 4.36Å; K287-F289 HydrophobicContact CD-CZ 4.43Å; K287-F289 HydrophobicContact CG-CE1 4.05Å; K287-F289 HydrophobicContact CG-CE2 4.06Å; K287-F289 HydrophobicContact CG-CZ 3.64Å; K287-E313 WeakPolarHBondContact CE-OE2 3.38Å; K287-E313 IonicContact NZ-OE2 3.89Å; K287-E313 PolarHBondContact NZ-OE2 3.4Å; K287-A681 VanDerWaalsContact CD-O 3.27Å; K287-A681 WeakPolarHBondContact CD-O 3.35Å; K287-A683 PolarHBondContact NZ-O 3.18Å
288	G	98.4	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146.6	179.3	0	0	0	0	0	112.8	F264 L311 E313	F264-G288 VanDerWaalsContact CZ-CA 3.44Å; F264-G288 WeakPolarHBondContact O-CA 3.48Å; G288-L311 PolarHBondContact N-O 3.37Å; G288-E313 PolarHBondContact O-N 3.49Å
289	F	98.4	Very high	95.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.4	173	-50.7	-80.6	0	0	0	109.5	Y263 F264 G265 D266 K287 E313 F336 F339 V340 N343 T344 L349	Y263-F289 AromaticContact CD1-CE2 3.73Å; Y263-F289 HydrophobicContact CD1-CE2 3.73Å; Y263-F289 HydrophobicContact CD1-CZ 4.05Å; Y263-F289 HydrophobicContact CE1-CE2 4.44Å; Y263-F289 HydrophobicContact CE1-CZ 4.31Å; F264-F289 PolarHBondContact O-N 2.8Å; G265-F289 CarbonylContact C-O 3.5Å; G265-F289 WeakPolarHBondContact CA-O 3.36Å; D266-F289 PolarHBondContact N-O 3.12Å; K287-F289 HydrophobicContact CD-CE1 4.36Å; K287-F289 HydrophobicContact CD-CZ 4.43Å; K287-F289 HydrophobicContact CG-CE1 4.05Å; K287-F289 HydrophobicContact CG-CE2 4.06Å; K287-F289 HydrophobicContact CG-CZ 3.64Å; F289-E313 WeakPolarHBondContact CA-O 3.41Å; F289-E313 HydrophobicContact CD1-CB 4.48Å; F289-F336 HydrophobicContact CB-CE2 4.25Å; F289-F336 HydrophobicContact CB-CZ 4.27Å; F289-F339 HydrophobicContact CB-CE1 4.25Å; F289-F339 AromaticContact CD1-CE1 3.56Å; F289-F339 HydrophobicContact CD1-CE1 3.56Å; F289-F339 AromaticContact CD1-CZ 3.77Å; F289-F339 HydrophobicContact CD1-CZ 3.77Å; F289-F339 HydrophobicContact CE1-CE1 4.32Å; F289-F339 HydrophobicContact CE1-CZ 4.17Å; F289-F339 HydrophobicContact CG-CE1 4.26Å; F289-V340 HydrophobicContact CB-CG2 4.25Å; F289-V340 HydrophobicContact CD2-CG2 4.47Å; F289-V340 HydrophobicContact CG-CG2 4.41Å; F289-N343 HydrophobicContact CE1-CB 3.69Å; F289-N343 HydrophobicContact CZ-CB 3.65Å; F289-T344 HydrophobicContact CE2-CG2 3.78Å; F289-T344 HydrophobicContact CZ-CG2 4.26Å; F289-L349 HydrophobicContact CD2-CD2 3.65Å; F289-L349 HydrophobicContact CE2-CD2 4.03Å
290	G	97.9	Very high	95.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.7	-173.4	0	0	0	0	0	113.9	D266 E313 P314 Y315	D266-G290 VanDerWaalsContact O-CA 3.3Å; D266-G290 WeakPolarHBondContact O-CA 3.21Å; G290-E313 PolarHBondContact N-O 2.91Å; G290-P314 CarbonylContact O-C 3.47Å; G290-P314 WeakPolarHBondContact O-CA 3.49Å; G290-Y315 PolarHBondContact O-N 2.78Å; G290-Y315 VanDerWaalsContact O-O 3.04Å
291	M	98	Very high	95.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	124.7	166	-174.6	168.1	67.8	0	0	109.8	D266 V267 C268 Y315 I327 N332 F336	D266-M291 PolarHBondContact O-N 3.21Å; V267-M291 CarbonylContact C-O 3.3Å; V267-M291 VanDerWaalsContact CA-O 3.28Å; V267-M291 WeakPolarHBondContact CA-O 3.38Å; V267-M291 HydrophobicContact CG1-CB 4.25Å; C268-M291 PolarHBondContact N-O 2.74Å; M291-Y315 WeakPolarHBondContact CA-O 3.13Å; M291-Y315 VanDerWaalsContact CB-O 3.28Å; M291-Y315 WeakPolarHBondContact CB-O 3.44Å; M291-Y315 VanDerWaalsContact CG-O 3.29Å; M291-Y315 WeakPolarHBondContact CG-O 3.35Å; M291-I327 HydrophobicContact CE-CB 4.18Å; M291-I327 HydrophobicContact CE-CD1 4.36Å; M291-I327 HydrophobicContact CE-CG1 3.84Å; M291-N332 HydrophobicContact SD-CB 4.31Å; M291-F336 HydrophobicContact CB-CD2 3.89Å; M291-F336 HydrophobicContact CB-CE2 3.94Å; M291-F336 HydrophobicContact CB-CG 4.32Å; M291-F336 HydrophobicContact CB-CZ 4.41Å; M291-F336 HydrophobicContact CE-CB 4.02Å; M291-F336 HydrophobicContact CE-CD1 4.38Å; M291-F336 HydrophobicContact CE-CG 4.17Å; M291-F336 HydrophobicContact SD-CB 3.85Å; M291-F336 HydrophobicContact SD-CD2 4.35Å; M291-F336 HydrophobicContact SD-CG 4.15Å
292	T	97.3	Very high	95.1	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.043	22%	0.218	C	C	.	.			trans	-150.5	158.8	179.1	-165	0	0	0	0	108.9	A269 G270 R294 C297 F299 Y316 G325	A269-T292 PolarHBondContact N-OG1 3.39Å; G270-T292 PolarHBondContact N-OG1 2.83Å; T292-R294 PolarHBondContact O-N 3.36Å; T292-C297 WeakPolarHBondContact CG2-O 3.43Å; T292-C297 PolarHBondContact OG1-O 3.36Å; T292-C297 VanDerWaalsContact OG1-O 3.1Å; T292-F299 HydrophobicContact CG2-CD2 3.49Å; T292-F299 VanDerWaalsContact CG2-CD2 3.49Å; T292-F299 HydrophobicContact CG2-CE1 4.49Å; T292-F299 HydrophobicContact CG2-CE2 3.44Å; T292-F299 VanDerWaalsContact CG2-CE2 3.44Å; T292-F299 HydrophobicContact CG2-CG 4.09Å; T292-F299 HydrophobicContact CG2-CZ 3.97Å; T292-Y316 HydrophobicContact CG2-CE1 4.45Å; T292-Y316 VanDerWaalsContact O-CD1 3.3Å; T292-Y316 WeakPolarHBondContact O-CD1 3.14Å; T292-G325 CarbonylContact C-O 3.48Å; T292-G325 WeakPolarHBondContact O-CA 3.48Å
293	L	96.5	Very high	95	Very high	88 Å²	88	43.2 Å²	43.2	46%	0.461	22%	0.222	S	C	.	.			trans	-58.4	135.6	176.6	-72.7	169.9	0	0	0	111.4	C297 D298 D324 D326	L293-C297 HydrophobicContact CB-CB 4.43Å; L293-C297 CarbonylContact O-C 3.46Å; L293-C297 VanDerWaalsContact O-C 3.26Å; L293-D298 PolarHBondContact O-N 3.07Å; L293-D324 WeakPolarHBondContact CA-O 3.46Å; L293-D326 HydrophobicContact CD2-CB 3.78Å
294	R	93.1	Very high	95	Very high	106 Å²	106	37.5 Å²	37.5	40%	0.4	20%	0.201	S	C	.	.	S	Bend	trans	-60.7	161	171.8	-75.8	-59.2	-159.8	173.5	3.1	112.9	T292 D298 Y316 V321 G323 D324	T292-R294 PolarHBondContact O-N 3.36Å; R294-D298 WeakPolarHBondContact CD-OD2 3.07Å; R294-D298 IonicContact CZ-OD2 3.3Å; R294-D298 IonicContact NE-OD2 2.76Å; R294-D298 IonicContact NH1-OD2 3.14Å; R294-D298 PolarHBondContact NH1-OD2 2.74Å; R294-Y316 HydrophobicContact CG-CD1 3.95Å; R294-Y316 HydrophobicContact CG-CE1 4.33Å; R294-Y316 VanDerWaalsContact NH1-CZ 3.26Å; R294-Y316 PolarHBondContact NH1-OH 2.92Å; R294-Y316 VanDerWaalsContact NH2-CE2 3.29Å; R294-V321 PolarHBondContact NH2-O 2.75Å; R294-G323 VanDerWaalsContact CG-O 3.3Å; R294-G323 WeakPolarHBondContact CG-O 3.37Å; R294-D324 WeakPolarHBondContact CG-O 3.37Å; R294-D324 PolarHBondContact N-O 2.76Å
295	G	91.4	Very high	94.9	Very high	50 Å²	50	40.3 Å²	40.3	52%	0.515	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	88.7	-135.5	174.6	0	0	0	0	0	112.7	C297 D298	G295-C297 PolarHBondContact O-N 3.46Å; G295-C297 VanDerWaalsContact O-N 3.12Å; G295-D298 VanDerWaalsContact O-CB 3.3Å; G295-D298 WeakPolarHBondContact O-CB 3.35Å; G295-D298 PolarHBondContact O-N 2.86Å; G295-D298 VanDerWaalsContact O-N 3.14Å
296	P	88.6	Confident	94.7	Very high	99 Å²	99	38.6 Å²	38.6	64%	0.643	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-59.2	-25	-175.6	-25.9	35.3	0	0	0	114.9
297	C	83.5	Confident	94.6	Very high	46 Å²	46	38.7 Å²	38.7	31%	0.311	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-98.3	17.8	-178.8	-60	0	0	0	0	113.7	G270 T292 L293 G295	G270-C297 WeakPolarHBondContact CA-O 3.39Å; T292-C297 WeakPolarHBondContact CG2-O 3.43Å; T292-C297 PolarHBondContact OG1-O 3.36Å; T292-C297 VanDerWaalsContact OG1-O 3.1Å; L293-C297 HydrophobicContact CB-CB 4.43Å; L293-C297 CarbonylContact O-C 3.46Å; L293-C297 VanDerWaalsContact O-C 3.26Å; G295-C297 PolarHBondContact O-N 3.46Å; G295-C297 VanDerWaalsContact O-N 3.12Å
298	D	95.3	Very high	94.4	Very high	27 Å²	27	38.9 Å²	38.9	14%	0.144	21%	0.21	C	C	.	.	S	Bend	trans	-79.7	165	179.8	-151	-21.6	0	0	0	112.5	P271 L293 R294 G295 Y316	P271-D298 WeakPolarHBondContact CA-O 3.32Å; L293-D298 PolarHBondContact O-N 3.07Å; R294-D298 WeakPolarHBondContact CD-OD2 3.07Å; R294-D298 IonicContact CZ-OD2 3.3Å; R294-D298 IonicContact NE-OD2 2.76Å; R294-D298 IonicContact NH1-OD2 3.14Å; R294-D298 PolarHBondContact NH1-OD2 2.74Å; G295-D298 VanDerWaalsContact O-CB 3.3Å; G295-D298 WeakPolarHBondContact O-CB 3.35Å; G295-D298 PolarHBondContact O-N 2.86Å; G295-D298 VanDerWaalsContact O-N 3.14Å; D298-Y316 VanDerWaalsContact OD1-CE1 3.25Å; D298-Y316 WeakPolarHBondContact OD1-CE1 3.24Å; D298-Y316 VanDerWaalsContact OD1-CZ 3.31Å; D298-Y316 PolarHBondContact OD1-OH 3.24Å; D298-Y316 PolarHBondContact OD2-OH 2.91Å
299	F	96.3	Very high	94.3	Very high	15 Å²	15	39.3 Å²	39.3	7%	0.066	21%	0.213	C	C	.	.			trans	-67.2	128.5	175.7	-66.8	-73.5	0	0	0	111.8	A269 T292 L301 F312 P314	A269-F299 HydrophobicContact CB-CE1 4.09Å; A269-F299 HydrophobicContact CB-CZ 4.45Å; T292-F299 HydrophobicContact CG2-CD2 3.49Å; T292-F299 VanDerWaalsContact CG2-CD2 3.49Å; T292-F299 HydrophobicContact CG2-CE1 4.49Å; T292-F299 HydrophobicContact CG2-CE2 3.44Å; T292-F299 VanDerWaalsContact CG2-CE2 3.44Å; T292-F299 HydrophobicContact CG2-CG 4.09Å; T292-F299 HydrophobicContact CG2-CZ 3.97Å; F299-L301 HydrophobicContact CB-CD2 3.95Å; F299-L301 HydrophobicContact CB-CG 4.11Å; F299-L301 PolarHBondContact O-N 2.81Å; F299-F312 AromaticContact CD1-CE1 3.87Å; F299-F312 HydrophobicContact CD1-CE1 3.87Å; F299-F312 HydrophobicContact CD1-CZ 4.34Å; F299-F312 HydrophobicContact CD2-CE1 4.14Å; F299-F312 AromaticContact CE1-CE1 3.71Å; F299-F312 HydrophobicContact CE1-CE1 3.71Å; F299-F312 AromaticContact CE1-CZ 3.76Å; F299-F312 HydrophobicContact CE1-CZ 3.76Å; F299-F312 AromaticContact CE2-CE1 3.98Å; F299-F312 HydrophobicContact CE2-CE1 3.98Å; F299-F312 HydrophobicContact CE2-CZ 4.4Å; F299-F312 HydrophobicContact CG-CE1 4.08Å; F299-F312 AromaticContact CZ-CE1 3.78Å; F299-F312 HydrophobicContact CZ-CE1 3.78Å; F299-F312 AromaticContact CZ-CZ 3.8Å; F299-F312 HydrophobicContact CZ-CZ 3.8Å; F299-P314 HydrophobicContact CB-CG 4.49Å; F299-P314 HydrophobicContact CD2-CB 3.83Å; F299-P314 HydrophobicContact CD2-CG 3.9Å; F299-P314 HydrophobicContact CE2-CB 4.2Å; F299-P314 HydrophobicContact CG-CG 4.42Å
300	K	96.1	Very high	94.2	Very high	95 Å²	95	39.6 Å²	39.6	41%	0.413	22%	0.215	S	C	.	.			trans	-98.1	67	174.3	-60.2	-174.9	-179.7	-175.5	0	109.8	P271 E302 D303 F304	P271-K300 HydrophobicContact CB-CB 3.96Å; P271-K300 HydrophobicContact CB-CD 3.94Å; P271-K300 HydrophobicContact CB-CG 3.76Å; P271-K300 PolarHBondContact O-N 3.15Å; K300-E302 PolarHBondContact O-N 3.1Å; K300-E302 VanDerWaalsContact O-N 3.17Å; K300-D303 HydrophobicContact CB-CB 4.1Å; K300-D303 WeakPolarHBondContact O-CB 3.41Å; K300-D303 PolarHBondContact O-N 3.2Å; K300-F304 WeakPolarHBondContact O-CD1 3.33Å
301	L	94.4	Very high	94.2	Very high	30 Å²	30	39.6 Å²	39.6	16%	0.157	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-62.3	-22.3	-176.7	-62.2	-169.6	0	0	0	113	F299 D303 F304 S309 F312 P314	F299-L301 HydrophobicContact CB-CD2 3.95Å; F299-L301 HydrophobicContact CB-CG 4.11Å; F299-L301 PolarHBondContact O-N 2.81Å; L301-D303 PolarHBondContact O-N 2.85Å; L301-F304 HydrophobicContact CD2-CE1 3.99Å; L301-F304 HydrophobicContact CD2-CE2 4.33Å; L301-F304 HydrophobicContact CD2-CZ 3.87Å; L301-S309 VanDerWaalsContact O-CB 3.3Å; L301-S309 WeakPolarHBondContact O-CB 3.28Å; L301-S309 PolarHBondContact O-OG 3.27Å; L301-F312 HydrophobicContact CD1-CD1 4.36Å; L301-F312 HydrophobicContact CD2-CB 4.45Å; L301-F312 HydrophobicContact CD2-CD1 3.68Å; L301-F312 HydrophobicContact CD2-CE1 4.34Å; L301-F312 HydrophobicContact CD2-CG 4.38Å; L301-P314 HydrophobicContact CD1-CG 3.72Å; L301-P314 HydrophobicContact CG-CG 4.44Å
302	E	93.1	Very high	94.2	Very high	106 Å²	106	39.5 Å²	39.5	50%	0.495	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-65.9	-27.4	172.7	63.8	-82.7	-163.6	0	0	113	K300 Y305 K599	K300-E302 PolarHBondContact O-N 3.1Å; K300-E302 VanDerWaalsContact O-N 3.17Å; E302-Y305 WeakPolarHBondContact O-CE1 3.36Å; E302-K599 VanDerWaalsContact CA-NZ 3.29Å; E302-K599 PolarHBondContact O-NZ 3.37Å
303	D	94.6	Very high	94.2	Very high	46 Å²	46	39.3 Å²	39.3	25%	0.246	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-92.1	-1.7	-174.9	-89.3	-16.6	0	0	0	114.7	K300 L301 Y305 R537	K300-D303 HydrophobicContact CB-CB 4.1Å; K300-D303 WeakPolarHBondContact O-CB 3.41Å; K300-D303 PolarHBondContact O-N 3.2Å; L301-D303 PolarHBondContact O-N 2.85Å; D303-Y305 VanDerWaalsContact C-N 3.33Å; D303-Y305 HydrophobicContact CB-CE1 4.47Å; D303-Y305 VanDerWaalsContact O-CD1 3.32Å; D303-Y305 WeakPolarHBondContact O-CD1 3.35Å; D303-Y305 PolarHBondContact O-N 2.85Å; D303-Y305 PolarHBondContact OD1-OH 3.47Å; D303-R537 PolarHBondContact O-NH2 3.46Å; D303-R537 IonicContact OD1-NH2 3.79Å
304	F	94.8	Very high	94.2	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.031	20%	0.197	C	C	.	.			trans	-70.2	88.8	171.1	-76.7	39.4	0	0	0	108.6	L224 G272 E276 L279 K300 L301 A307	L224-F304 HydrophobicContact CD2-CD1 3.42Å; L224-F304 VanDerWaalsContact CD2-CD1 3.42Å; L224-F304 HydrophobicContact CD2-CE1 3.47Å; L224-F304 VanDerWaalsContact CD2-CE1 3.47Å; L224-F304 HydrophobicContact CD2-CG 4.36Å; L224-F304 HydrophobicContact CD2-CZ 4.44Å; G272-F304 WeakPolarHBondContact O-CZ 3.36Å; E276-F304 HydrophobicContact CB-CD1 4.44Å; E276-F304 HydrophobicContact CB-CD2 3.92Å; E276-F304 HydrophobicContact CB-CE1 4.49Å; E276-F304 HydrophobicContact CB-CE2 3.98Å; E276-F304 HydrophobicContact CB-CG 4.17Å; E276-F304 HydrophobicContact CB-CZ 4.28Å; E276-F304 HydrophobicContact CG-CB 4.2Å; E276-F304 HydrophobicContact CG-CD2 3.97Å; E276-F304 HydrophobicContact CG-CG 3.98Å; E276-F304 WeakPolarHBondContact OE1-CA 3.43Å; L279-F304 HydrophobicContact CD1-CE2 4.32Å; K300-F304 WeakPolarHBondContact O-CD1 3.33Å; L301-F304 HydrophobicContact CD2-CE1 3.99Å; L301-F304 HydrophobicContact CD2-CE2 4.33Å; L301-F304 HydrophobicContact CD2-CZ 3.87Å; F304-A307 HydrophobicContact CD2-CB 4.33Å; F304-A307 VanDerWaalsContact O-O 3.13Å
305	Y	93.5	Very high	94.3	Very high	61 Å²	61	32.8 Å²	32.8	24%	0.239	19%	0.185	C	C	.	.	S	Bend	trans	-90	-32.6	-177.8	-61.9	-11.4	0	0	0	111.1	E276 E302 D303 R537 A539 R625	E276-Y305 PolarHBondContact OE1-N 3.03Å; E302-Y305 WeakPolarHBondContact O-CE1 3.36Å; D303-Y305 VanDerWaalsContact C-N 3.33Å; D303-Y305 HydrophobicContact CB-CE1 4.47Å; D303-Y305 VanDerWaalsContact O-CD1 3.32Å; D303-Y305 WeakPolarHBondContact O-CD1 3.35Å; D303-Y305 PolarHBondContact O-N 2.85Å; D303-Y305 PolarHBondContact OD1-OH 3.47Å; Y305-R537 HydrophobicContact CD2-CG 3.96Å; Y305-A539 HydrophobicContact CD2-CB 4.03Å; Y305-A539 HydrophobicContact CE2-CB 3.79Å; Y305-R625 PolarHBondContact O-NH1 2.87Å; Y305-R625 VanDerWaalsContact O-NH1 3.09Å; Y305-R625 PolarHBondContact O-NH2 2.88Å
306	A	92.5	Very high	94.6	Very high	18 Å²	18	31.1 Å²	31.1	15%	0.149	16%	0.163	C	C	.	.	S	Bend	trans	-76.4	-34.5	176.9	0	0	0	0	0	111.9	I222 F223 E276 W280 R625	I222-A306 HydrophobicContact CD1-CB 4.28Å; I222-A306 HydrophobicContact CG1-CB 4.47Å; F223-A306 HydrophobicContact CD1-CB 3.82Å; F223-A306 HydrophobicContact CE1-CB 3.96Å; E276-A306 HydrophobicContact CG-CB 4.32Å; E276-A306 WeakPolarHBondContact OE1-CB 3.5Å; E276-A306 PolarHBondContact OE1-N 2.82Å; W280-A306 HydrophobicContact CB-CB 4.33Å; W280-A306 HydrophobicContact CG-CB 4.26Å; A306-R625 PolarHBondContact O-NH2 2.74Å
307	A	94.1	Very high	94.9	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.025	13%	0.132	C	C	.	.	S	Bend	trans	-119.5	154	-170.7	0	0	0	0	0	114.5	E276 L279 W280 F304 S309	E276-A307 HydrophobicContact CG-CB 3.72Å; E276-A307 WeakPolarHBondContact O-CB 3.4Å; L279-A307 HydrophobicContact CB-CB 3.7Å; W280-A307 HydrophobicContact CB-CB 4.06Å; F304-A307 HydrophobicContact CD2-CB 4.33Å; F304-A307 VanDerWaalsContact O-O 3.13Å; A307-S309 PolarHBondContact O-N 3.07Å
308	P	94.8	Very high	95.3	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.052	15%	0.147	C	C	.	.			trans	-78.4	102	170.6	31.6	-33.5	0	0	0	111.4	E310 L311 P624	P308-E310 WeakPolarHBondContact CA-OE2 3.08Å; P308-E310 WeakPolarHBondContact CB-OE2 3.23Å; P308-E310 PolarHBondContact O-N 3.07Å; P308-L311 HydrophobicContact CB-CD1 4.41Å; P308-L311 HydrophobicContact CB-CG 4.37Å; P308-L311 HydrophobicContact CG-CD1 3.6Å; P308-L311 HydrophobicContact CG-CG 4.07Å; P308-L311 PolarHBondContact O-N 3.32Å; P308-P624 HydrophobicContact CB-CB 3.78Å; P308-P624 HydrophobicContact CB-CG 4.06Å
309	S	95.7	Very high	95.1	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.063	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-70.4	-6.8	179.2	52.7	0	0	0	0	114.3	L301 A307 L311 F312	L301-S309 VanDerWaalsContact O-CB 3.3Å; L301-S309 WeakPolarHBondContact O-CB 3.28Å; L301-S309 PolarHBondContact O-OG 3.27Å; A307-S309 PolarHBondContact O-N 3.07Å; S309-L311 PolarHBondContact O-N 2.72Å; S309-F312 WeakPolarHBondContact O-CB 3.46Å; S309-F312 PolarHBondContact O-N 2.72Å; S309-F312 VanDerWaalsContact O-N 3.08Å
310	E	96.9	Very high	94.8	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.042	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-65.8	-19.7	172.9	-50.8	84.8	172.6	0	0	112.3	P308 F312 K599 E622 P624 K684	P308-E310 WeakPolarHBondContact CA-OE2 3.08Å; P308-E310 WeakPolarHBondContact CB-OE2 3.23Å; P308-E310 PolarHBondContact O-N 3.07Å; E310-F312 VanDerWaalsContact C-N 3.28Å; E310-K599 WeakPolarHBondContact OE1-CA 3.36Å; E310-K599 PolarHBondContact OE1-N 3.15Å; E310-E622 HydrophobicContact CB-CB 4.47Å; E310-E622 HydrophobicContact CG-CB 4.02Å; E310-P624 HydrophobicContact CB-CG 4.14Å; E310-P624 WeakPolarHBondContact OE2-CA 3.12Å; E310-K684 VanDerWaalsContact O-CE 3.25Å; E310-K684 WeakPolarHBondContact O-CE 3.29Å
311	L	97.7	Very high	94.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-83.3	0.2	174.5	-52.8	-178	0	0	0	113.8	L279 R283 W284 G288 P308 S309 P624 A681 V682	L279-L311 HydrophobicContact CD1-CB 4.27Å; L279-L311 HydrophobicContact CD2-CB 3.74Å; L279-L311 HydrophobicContact CD2-CD1 4.15Å; R283-L311 WeakPolarHBondContact O-CD1 3.29Å; W284-L311 HydrophobicContact CB-CD1 4.41Å; G288-L311 PolarHBondContact N-O 3.37Å; P308-L311 HydrophobicContact CB-CD1 4.41Å; P308-L311 HydrophobicContact CB-CG 4.37Å; P308-L311 HydrophobicContact CG-CD1 3.6Å; P308-L311 HydrophobicContact CG-CG 4.07Å; P308-L311 PolarHBondContact O-N 3.32Å; S309-L311 PolarHBondContact O-N 2.72Å; L311-P624 HydrophobicContact CD2-CG 3.98Å; L311-P624 HydrophobicContact CG-CG 4.34Å; L311-A681 HydrophobicContact CD2-CB 3.86Å; L311-V682 HydrophobicContact CD2-CG1 3.72Å
312	F	97.9	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.7	178.2	-162.1	-105.8	0	0	0	111.1	F264 D266 S275 L279 F299 L301 S309 E310 P314 K684	F264-F312 HydrophobicContact CE2-CD2 4.38Å; F264-F312 HydrophobicContact CE2-CE2 4.1Å; F264-F312 HydrophobicContact CZ-CD2 4.18Å; F264-F312 HydrophobicContact CZ-CE2 4.36Å; D266-F312 HydrophobicContact CB-CE2 4.18Å; D266-F312 HydrophobicContact CB-CZ 4.17Å; S275-F312 WeakPolarHBondContact OG-CE2 3.31Å; S275-F312 WeakPolarHBondContact OG-CZ 3.36Å; L279-F312 HydrophobicContact CD1-CB 3.97Å; L279-F312 HydrophobicContact CD1-CD2 4.45Å; F299-F312 AromaticContact CD1-CE1 3.87Å; F299-F312 HydrophobicContact CD1-CE1 3.87Å; F299-F312 HydrophobicContact CD1-CZ 4.34Å; F299-F312 HydrophobicContact CD2-CE1 4.14Å; F299-F312 AromaticContact CE1-CE1 3.71Å; F299-F312 HydrophobicContact CE1-CE1 3.71Å; F299-F312 AromaticContact CE1-CZ 3.76Å; F299-F312 HydrophobicContact CE1-CZ 3.76Å; F299-F312 AromaticContact CE2-CE1 3.98Å; F299-F312 HydrophobicContact CE2-CE1 3.98Å; F299-F312 HydrophobicContact CE2-CZ 4.4Å; F299-F312 HydrophobicContact CG-CE1 4.08Å; F299-F312 AromaticContact CZ-CE1 3.78Å; F299-F312 HydrophobicContact CZ-CE1 3.78Å; F299-F312 AromaticContact CZ-CZ 3.8Å; F299-F312 HydrophobicContact CZ-CZ 3.8Å; L301-F312 HydrophobicContact CD1-CD1 4.36Å; L301-F312 HydrophobicContact CD2-CB 4.45Å; L301-F312 HydrophobicContact CD2-CD1 3.68Å; L301-F312 HydrophobicContact CD2-CE1 4.34Å; L301-F312 HydrophobicContact CD2-CG 4.38Å; S309-F312 WeakPolarHBondContact O-CB 3.46Å; S309-F312 PolarHBondContact O-N 2.72Å; S309-F312 VanDerWaalsContact O-N 3.08Å; E310-F312 VanDerWaalsContact C-N 3.28Å; F312-P314 HydrophobicContact CD1-CG 3.96Å; F312-P314 HydrophobicContact CE1-CG 4.05Å; F312-K684 VanDerWaalsContact O-CE 3.29Å; F312-K684 WeakPolarHBondContact O-CE 3.37Å
313	E	96.8	Very high	94.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	100.9	178.3	-170.6	169.1	-175.4	0	0	110.9	K287 G288 F289 G290 F339 K684 P685 S686	K287-E313 WeakPolarHBondContact CE-OE2 3.38Å; K287-E313 IonicContact NZ-OE2 3.89Å; K287-E313 PolarHBondContact NZ-OE2 3.4Å; G288-E313 PolarHBondContact O-N 3.49Å; F289-E313 WeakPolarHBondContact CA-O 3.41Å; F289-E313 HydrophobicContact CD1-CB 4.48Å; G290-E313 PolarHBondContact N-O 2.91Å; E313-F339 HydrophobicContact CG-CZ 3.9Å; E313-K684 VanDerWaalsContact CD-CA 3.48Å; E313-K684 HydrophobicContact CG-CB 4.4Å; E313-K684 HydrophobicContact CG-CG 4.36Å; E313-K684 VanDerWaalsContact OE1-CA 3.27Å; E313-K684 WeakPolarHBondContact OE1-CA 3.23Å; E313-K684 WeakPolarHBondContact OE2-CA 3.11Å; E313-P685 WeakPolarHBondContact OE1-CD 3.37Å; E313-P685 VanDerWaalsContact OE1-N 3.13Å; E313-P685 WeakPolarHBondContact OE2-CD 3.2Å; E313-S686 VanDerWaalsContact OE1-CB 3.31Å; E313-S686 WeakPolarHBondContact OE1-CB 3.2Å; E313-S686 PolarHBondContact OE1-N 3.41Å; E313-S686 PolarHBondContact OE1-OG 3.5Å
314	P	96.6	Very high	94.4	Very high	21 Å²	21	31.6 Å²	31.6	14%	0.136	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	139.8	168	-21.1	34.1	0	0	0	111.6	G290 F299 L301 F312 Y316	G290-P314 CarbonylContact O-C 3.47Å; G290-P314 WeakPolarHBondContact O-CA 3.49Å; F299-P314 HydrophobicContact CB-CG 4.49Å; F299-P314 HydrophobicContact CD2-CB 3.83Å; F299-P314 HydrophobicContact CD2-CG 3.9Å; F299-P314 HydrophobicContact CE2-CB 4.2Å; F299-P314 HydrophobicContact CG-CG 4.42Å; L301-P314 HydrophobicContact CD1-CG 3.72Å; L301-P314 HydrophobicContact CG-CG 4.44Å; F312-P314 HydrophobicContact CD1-CG 3.96Å; F312-P314 HydrophobicContact CE1-CG 4.05Å; P314-Y316 HydrophobicContact CB-CE2 3.57Å; P314-Y316 WeakPolarHBondContact CB-OH 3.44Å
315	Y	96.6	Very high	94.5	Very high	37 Å²	37	31.4 Å²	31.4	15%	0.145	18%	0.181	C	C	.	.			trans	-145.3	125.1	177.8	-173.6	-86.3	0	0	0	108	G290 M291 G317 A335 F336 F339	G290-Y315 PolarHBondContact O-N 2.78Å; G290-Y315 VanDerWaalsContact O-O 3.04Å; M291-Y315 WeakPolarHBondContact CA-O 3.13Å; M291-Y315 VanDerWaalsContact CB-O 3.28Å; M291-Y315 WeakPolarHBondContact CB-O 3.44Å; M291-Y315 VanDerWaalsContact CG-O 3.29Å; M291-Y315 WeakPolarHBondContact CG-O 3.35Å; Y315-G317 WeakPolarHBondContact CE1-O 3.21Å; Y315-G317 PolarHBondContact OH-O 3.37Å; Y315-A335 HydrophobicContact CE1-CB 3.99Å; Y315-F336 HydrophobicContact CD1-CB 4.38Å; Y315-F336 HydrophobicContact CD1-CD2 4.03Å; Y315-F339 HydrophobicContact CD1-CB 4.3Å; Y315-F339 HydrophobicContact CD1-CD1 4.09Å; Y315-F339 HydrophobicContact CD1-CG 4.3Å; Y315-F339 HydrophobicContact CD2-CB 4.21Å; Y315-F339 AromaticContact CD2-CD1 3.74Å; Y315-F339 HydrophobicContact CD2-CD1 3.74Å; Y315-F339 AromaticContact CD2-CD2 3.83Å; Y315-F339 HydrophobicContact CD2-CD2 3.83Å; Y315-F339 HydrophobicContact CD2-CE1 4.02Å; Y315-F339 HydrophobicContact CD2-CE2 4.12Å; Y315-F339 AromaticContact CD2-CG 3.63Å; Y315-F339 HydrophobicContact CD2-CG 3.63Å; Y315-F339 HydrophobicContact CD2-CZ 4.22Å; Y315-F339 HydrophobicContact CE1-CB 4.05Å; Y315-F339 HydrophobicContact CE1-CG 4.44Å; Y315-F339 HydrophobicContact CE2-CB 3.95Å; Y315-F339 HydrophobicContact CE2-CD1 4.34Å; Y315-F339 AromaticContact CE2-CD2 3.91Å; Y315-F339 HydrophobicContact CE2-CD2 3.91Å; Y315-F339 AromaticContact CE2-CG 3.8Å; Y315-F339 HydrophobicContact CE2-CG 3.8Å; Y315-F339 HydrophobicContact CG-CB 4.37Å; Y315-F339 AromaticContact CG-CD1 3.58Å; Y315-F339 HydrophobicContact CG-CD1 3.58Å; Y315-F339 AromaticContact CG-CE1 3.95Å; Y315-F339 HydrophobicContact CG-CE1 3.95Å; Y315-F339 AromaticContact CG-CG 3.9Å; Y315-F339 HydrophobicContact CG-CG 3.9Å
316	Y	96.6	Very high	94.7	Very high	15 Å²	15	30 Å²	30	6%	0.059	18%	0.178	C	C	.	.			trans	-107.6	26.5	-163.9	-58.7	-91.5	0	0	0	113	T292 R294 D298 P314 G320 G323 D324 G325	T292-Y316 HydrophobicContact CG2-CE1 4.45Å; T292-Y316 VanDerWaalsContact O-CD1 3.3Å; T292-Y316 WeakPolarHBondContact O-CD1 3.14Å; R294-Y316 HydrophobicContact CG-CD1 3.95Å; R294-Y316 HydrophobicContact CG-CE1 4.33Å; R294-Y316 VanDerWaalsContact NH1-CZ 3.26Å; R294-Y316 PolarHBondContact NH1-OH 2.92Å; R294-Y316 VanDerWaalsContact NH2-CE2 3.29Å; D298-Y316 VanDerWaalsContact OD1-CE1 3.25Å; D298-Y316 WeakPolarHBondContact OD1-CE1 3.24Å; D298-Y316 VanDerWaalsContact OD1-CZ 3.31Å; D298-Y316 PolarHBondContact OD1-OH 3.24Å; D298-Y316 PolarHBondContact OD2-OH 2.91Å; P314-Y316 HydrophobicContact CB-CE2 3.57Å; P314-Y316 WeakPolarHBondContact CB-OH 3.44Å; Y316-G320 WeakPolarHBondContact CA-O 3.44Å; Y316-G320 WeakPolarHBondContact CB-O 3.24Å; Y316-G320 PolarHBondContact N-O 2.69Å; Y316-G323 VanDerWaalsContact CB-O 3.25Å; Y316-G323 WeakPolarHBondContact CB-O 3.49Å; Y316-G323 CarbonylContact O-C 3.58Å; Y316-G323 WeakPolarHBondContact O-CA 3.28Å; Y316-D324 PolarHBondContact O-N 3.33Å; Y316-G325 WeakPolarHBondContact O-CA 3.42Å; Y316-G325 PolarHBondContact O-N 2.76Å
317	G	94.7	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	88.9	-137.5	176.6	0	0	0	0	0	113.5	Y315 G320 N332	Y315-G317 WeakPolarHBondContact CE1-O 3.21Å; Y315-G317 PolarHBondContact OH-O 3.37Å; G317-G320 WeakPolarHBondContact O-CA 3.41Å; G317-G320 PolarHBondContact O-N 3.35Å; G317-N332 WeakPolarHBondContact CA-OD1 3.46Å
318	E	93.3	Very high	95.2	Very high	130 Å²	130	29.7 Å²	29.7	61%	0.607	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	141.8	177.6	-172.4	164.8	-147.9	0	0	110.6	G320 G323 E331 N332	E318-G320 PolarHBondContact O-N 2.82Å; E318-G323 WeakPolarHBondContact O-CA 3.34Å; E318-E331 HydrophobicContact CB-CB 4.43Å; E318-N332 PolarHBondContact N-OD1 3.08Å
319	G	89.6	Confident	95.3	Very high	58 Å²	58	31.1 Å²	31.1	60%	0.598	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-7.4	-166.7	0	0	0	0	0	114.6	V321 D322	G319-V321 PolarHBondContact O-N 2.92Å; G319-D322 PolarHBondContact O-N 2.66Å
320	G	91.4	Very high	95.4	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	-92.7	171	0	0	0	0	0	113.3	Y316 G317 E318	Y316-G320 WeakPolarHBondContact CA-O 3.44Å; Y316-G320 WeakPolarHBondContact CB-O 3.24Å; Y316-G320 PolarHBondContact N-O 2.69Å; G317-G320 WeakPolarHBondContact O-CA 3.41Å; G317-G320 PolarHBondContact O-N 3.35Å; E318-G320 PolarHBondContact O-N 2.82Å
321	V	88.5	Confident	95.4	Very high	44 Å²	44	34.8 Å²	34.8	27%	0.267	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.5	175.9	-65.7	0	0	0	0	112.9	R294 G319	R294-V321 PolarHBondContact NH2-O 2.75Å; G319-V321 PolarHBondContact O-N 2.92Å
322	D	90.5	Very high	95.4	Very high	148 Å²	148	35 Å²	35	79%	0.791	20%	0.199	S	C	*	.	S	Bend	trans	-97.9	4.9	-178.4	-58.6	-47	0	0	0	112.8	G319	G319-D322 PolarHBondContact O-N 2.66Å
323	G	94.9	Very high	95.4	Very high	11 Å²	11	35.1 Å²	35.1	11%	0.113	20%	0.2	C	C	.	.	S	Bend	trans	-75.2	169.8	175.4	0	0	0	0	0	114.3	R294 Y316 E318	R294-G323 VanDerWaalsContact CG-O 3.3Å; R294-G323 WeakPolarHBondContact CG-O 3.37Å; Y316-G323 VanDerWaalsContact CB-O 3.25Å; Y316-G323 WeakPolarHBondContact CB-O 3.49Å; Y316-G323 CarbonylContact O-C 3.58Å; Y316-G323 WeakPolarHBondContact O-CA 3.28Å; E318-G323 WeakPolarHBondContact O-CA 3.34Å
324	D	95.9	Very high	95.5	Very high	74 Å²	74	37.7 Å²	37.7	40%	0.396	22%	0.216	S	C	.	.			trans	-89.9	-21.1	-176.7	62.9	11.8	0	0	0	114.5	L293 R294 Y316 D326 N332	L293-D324 WeakPolarHBondContact CA-O 3.46Å; R294-D324 WeakPolarHBondContact CG-O 3.37Å; R294-D324 PolarHBondContact N-O 2.76Å; Y316-D324 PolarHBondContact O-N 3.33Å; D324-D326 PolarHBondContact OD1-N 2.85Å; D324-N332 PolarHBondContact OD1-ND2 2.94Å
325	G	96.8	Very high	95.6	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	22%	0.216	C	C	.	.			trans	73.5	17.5	-177.4	0	0	0	0	0	115.2	T292 Y316 I327	T292-G325 CarbonylContact C-O 3.48Å; T292-G325 WeakPolarHBondContact O-CA 3.48Å; Y316-G325 WeakPolarHBondContact O-CA 3.42Å; Y316-G325 PolarHBondContact O-N 2.76Å; G325-I327 PolarHBondContact O-N 2.67Å; G325-I327 VanDerWaalsContact O-N 3.16Å
326	D	97.4	Very high	95.6	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.171	21%	0.209	C	C	.	.			trans	-72.3	106	174.5	-172.5	-12.7	0	0	0	110.3	L293 D324 T328 L329 N332	L293-D326 HydrophobicContact CD2-CB 3.78Å; D324-D326 PolarHBondContact OD1-N 2.85Å; D326-T328 PolarHBondContact O-N 2.9Å; D326-T328 WeakPolarHBondContact OD1-CA 3.45Å; D326-T328 VanDerWaalsContact OD1-CB 3.31Å; D326-T328 WeakPolarHBondContact OD1-CB 3.22Å; D326-T328 PolarHBondContact OD1-N 3.47Å; D326-T328 PolarHBondContact OD1-OG1 3.25Å; D326-T328 PolarHBondContact OD2-OG1 2.99Å; D326-T328 VanDerWaalsContact OD2-OG1 3.13Å; D326-L329 HydrophobicContact CB-CD1 4.12Å; D326-L329 HydrophobicContact CB-CG 4.04Å; D326-L329 PolarHBondContact O-N 2.76Å; D326-N332 PolarHBondContact N-ND2 3.06Å; D326-N332 WeakPolarHBondContact O-CB 3.24Å; D326-N332 PolarHBondContact O-ND2 3.23Å
327	I	97.9	Very high	95.7	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.5	178.5	-159.6	168	0	0	0	113.2	V267 M291 G325 L329 V333 L374 C377 Q378 T381	V267-I327 HydrophobicContact CB-CD1 4.09Å; V267-I327 HydrophobicContact CG2-CD1 4.08Å; M291-I327 HydrophobicContact CE-CB 4.18Å; M291-I327 HydrophobicContact CE-CD1 4.36Å; M291-I327 HydrophobicContact CE-CG1 3.84Å; G325-I327 PolarHBondContact O-N 2.67Å; G325-I327 VanDerWaalsContact O-N 3.16Å; I327-L329 VanDerWaalsContact C-N 3.28Å; I327-V333 HydrophobicContact CG1-CG2 4.33Å; I327-V333 WeakPolarHBondContact O-CG2 3.24Å; I327-L374 HydrophobicContact CG2-CD1 3.54Å; I327-C377 HydrophobicContact CG1-CB 4.19Å; I327-C377 HydrophobicContact CG2-CB 4.09Å; I327-C377 WeakPolarHBondContact O-CB 3.2Å; I327-Q378 HydrophobicContact CD1-CG 4.17Å; I327-T381 HydrophobicContact CD1-CG2 4.48Å
328	T	97.9	Very high	95.9	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.055	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.2	177.6	71	0	0	0	0	113	D326 P330 Q373 N455 N459	D326-T328 PolarHBondContact O-N 2.9Å; D326-T328 WeakPolarHBondContact OD1-CA 3.45Å; D326-T328 VanDerWaalsContact OD1-CB 3.31Å; D326-T328 WeakPolarHBondContact OD1-CB 3.22Å; D326-T328 PolarHBondContact OD1-N 3.47Å; D326-T328 PolarHBondContact OD1-OG1 3.25Å; D326-T328 PolarHBondContact OD2-OG1 2.99Å; D326-T328 VanDerWaalsContact OD2-OG1 3.13Å; T328-P330 WeakPolarHBondContact O-CD 3.42Å; T328-Q373 HydrophobicContact CG2-CG 4.11Å; T328-N455 PolarHBondContact O-ND2 3.33Å; T328-N455 PolarHBondContact O-OD1 2.89Å; T328-N459 PolarHBondContact O-ND2 3.41Å
329	L	98.1	Very high	96.1	Very high	38 Å²	38	35.8 Å²	35.8	20%	0.199	21%	0.208	C	C	.	.	S	Bend	trans	-82.3	120.4	175.5	-60.1	-176	0	0	0	111.2	D326 I327 E331 N332 V333	D326-L329 HydrophobicContact CB-CD1 4.12Å; D326-L329 HydrophobicContact CB-CG 4.04Å; D326-L329 PolarHBondContact O-N 2.76Å; I327-L329 VanDerWaalsContact C-N 3.28Å; L329-E331 VanDerWaalsContact C-N 3.25Å; L329-E331 HydrophobicContact CB-CG 4.05Å; L329-E331 PolarHBondContact O-N 3.47Å; L329-N332 HydrophobicContact CB-CB 4.2Å; L329-N332 PolarHBondContact O-N 3Å; L329-N332 VanDerWaalsContact O-N 3.08Å; L329-V333 PolarHBondContact O-N 2.85Å
330	P	97.1	Very high	96.5	Very high	13 Å²	13	33 Å²	33	8%	0.084	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-36.5	-179.8	-25	31.6	0	0	0	114.5	T328 T334 F452 L456	T328-P330 WeakPolarHBondContact O-CD 3.42Å; P330-T334 WeakPolarHBondContact O-CB 3.37Å; P330-T334 PolarHBondContact O-N 2.91Å; P330-T334 PolarHBondContact O-OG1 2.84Å; P330-F452 HydrophobicContact CB-CE1 4.4Å; P330-F452 HydrophobicContact CB-CE2 3.86Å; P330-F452 HydrophobicContact CB-CZ 3.61Å; P330-L456 HydrophobicContact CB-CD2 4.2Å; P330-L456 HydrophobicContact CG-CD2 3.59Å; P330-L456 HydrophobicContact CG-CG 4.21Å
331	E	97.7	Very high	96.8	Very high	82 Å²	82	34 Å²	34	38%	0.383	18%	0.183	S	C	.	.	H	α-helix	trans	-59.8	-44.6	174.9	50.3	-88.6	-147.8	0	0	111.8	E318 L329 T334 A335	E318-E331 HydrophobicContact CB-CB 4.43Å; L329-E331 VanDerWaalsContact C-N 3.25Å; L329-E331 HydrophobicContact CB-CG 4.05Å; L329-E331 PolarHBondContact O-N 3.47Å; E331-T334 PolarHBondContact O-N 2.83Å; E331-A335 VanDerWaalsContact O-CB 3.3Å; E331-A335 WeakPolarHBondContact O-CB 3.44Å; E331-A335 PolarHBondContact O-N 3.24Å
332	N	98.2	Very high	97.1	Very high	5 Å²	5	38 Å²	38	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-44.1	178.6	-73.7	-12.5	0	0	0	112	M291 G317 E318 D324 D326 L329 T334 A335 F336	M291-N332 HydrophobicContact SD-CB 4.31Å; G317-N332 WeakPolarHBondContact CA-OD1 3.46Å; E318-N332 PolarHBondContact N-OD1 3.08Å; D324-N332 PolarHBondContact OD1-ND2 2.94Å; D326-N332 PolarHBondContact N-ND2 3.06Å; D326-N332 WeakPolarHBondContact O-CB 3.24Å; D326-N332 PolarHBondContact O-ND2 3.23Å; L329-N332 HydrophobicContact CB-CB 4.2Å; L329-N332 PolarHBondContact O-N 3Å; L329-N332 VanDerWaalsContact O-N 3.08Å; N332-T334 VanDerWaalsContact C-N 3.3Å; N332-T334 PolarHBondContact O-N 2.84Å; N332-A335 PolarHBondContact O-N 3.49Å; N332-F336 WeakPolarHBondContact O-CB 3.04Å; N332-F336 PolarHBondContact O-N 3.27Å
333	V	97.5	Very high	97.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-59	-43.7	174.3	177.5	0	0	0	0	110.6	I327 L329 R337 L380	I327-V333 HydrophobicContact CG1-CG2 4.33Å; I327-V333 WeakPolarHBondContact O-CG2 3.24Å; L329-V333 PolarHBondContact O-N 2.85Å; V333-R337 VanDerWaalsContact O-CB 3.29Å; V333-R337 WeakPolarHBondContact O-CB 3.46Å; V333-R337 PolarHBondContact O-N 3.16Å; V333-L380 HydrophobicContact CG1-CD2 4.37Å; V333-L380 HydrophobicContact CG1-CG 4.24Å
334	T	98.1	Very high	97.4	Very high	57 Å²	57	32 Å²	32	35%	0.35	16%	0.164	S	C	.	.	H	α-helix	trans	-67	-43.9	179.3	-56.6	0	0	0	0	111.9	P330 E331 N332 R337 N338	P330-T334 WeakPolarHBondContact O-CB 3.37Å; P330-T334 PolarHBondContact O-N 2.91Å; P330-T334 PolarHBondContact O-OG1 2.84Å; E331-T334 PolarHBondContact O-N 2.83Å; N332-T334 VanDerWaalsContact C-N 3.3Å; N332-T334 PolarHBondContact O-N 2.84Å; T334-R337 PolarHBondContact O-N 3.22Å; T334-N338 PolarHBondContact O-N 3.1Å; T334-N338 PolarHBondContact O-ND2 3.45Å
335	A	98.3	Very high	97.2	Very high	16 Å²	16	33.1 Å²	33.1	13%	0.132	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-48	178	0	0	0	0	0	111.6	Y315 E331 N332 R337 N338 F339	Y315-A335 HydrophobicContact CE1-CB 3.99Å; E331-A335 VanDerWaalsContact O-CB 3.3Å; E331-A335 WeakPolarHBondContact O-CB 3.44Å; E331-A335 PolarHBondContact O-N 3.24Å; N332-A335 PolarHBondContact O-N 3.49Å; A335-R337 VanDerWaalsContact C-N 3.35Å; A335-R337 PolarHBondContact O-N 3.37Å; A335-N338 PolarHBondContact O-N 2.87Å; A335-F339 WeakPolarHBondContact O-CB 3.39Å; A335-F339 PolarHBondContact O-N 2.85Å
336	F	98.3	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-41.8	176.6	-174.8	-108.5	0	0	0	111.8	V267 F289 M291 Y315 N332 N338 F339 V340 T381 T385	V267-F336 HydrophobicContact CG1-CE1 3.77Å; V267-F336 HydrophobicContact CG1-CZ 4Å; F289-F336 HydrophobicContact CB-CE2 4.25Å; F289-F336 HydrophobicContact CB-CZ 4.27Å; M291-F336 HydrophobicContact CB-CD2 3.89Å; M291-F336 HydrophobicContact CB-CE2 3.94Å; M291-F336 HydrophobicContact CB-CG 4.32Å; M291-F336 HydrophobicContact CB-CZ 4.41Å; M291-F336 HydrophobicContact CE-CB 4.02Å; M291-F336 HydrophobicContact CE-CD1 4.38Å; M291-F336 HydrophobicContact CE-CG 4.17Å; M291-F336 HydrophobicContact SD-CB 3.85Å; M291-F336 HydrophobicContact SD-CD2 4.35Å; M291-F336 HydrophobicContact SD-CG 4.15Å; Y315-F336 HydrophobicContact CD1-CB 4.38Å; Y315-F336 HydrophobicContact CD1-CD2 4.03Å; N332-F336 WeakPolarHBondContact O-CB 3.04Å; N332-F336 PolarHBondContact O-N 3.27Å; F336-N338 PolarHBondContact O-N 2.92Å; F336-F339 HydrophobicContact CD2-CD1 4.45Å; F336-F339 PolarHBondContact O-N 3.22Å; F336-V340 HydrophobicContact CD1-CG2 4.32Å; F336-V340 HydrophobicContact CE1-CG2 3.99Å; F336-V340 HydrophobicContact CE2-CG2 4.23Å; F336-V340 HydrophobicContact CZ-CG2 3.94Å; F336-V340 WeakPolarHBondContact O-CB 3.35Å; F336-V340 WeakPolarHBondContact O-CG2 3.04Å; F336-V340 PolarHBondContact O-N 2.73Å; F336-T381 HydrophobicContact CD1-CG2 4.03Å; F336-T381 HydrophobicContact CE1-CG2 4.19Å; F336-T385 HydrophobicContact CD1-CG2 4.04Å; F336-T385 HydrophobicContact CE1-CG2 4.17Å
337	R	97.9	Very high	97	Very high	75 Å²	75	45.1 Å²	45.1	28%	0.283	21%	0.212	S	C	.	.	H	α-helix	trans	-55.8	-50.8	172	171	-179	-177.8	-83.3	7.2	112.3	V333 T334 A335 V340 M341 S384 T385	V333-R337 VanDerWaalsContact O-CB 3.29Å; V333-R337 WeakPolarHBondContact O-CB 3.46Å; V333-R337 PolarHBondContact O-N 3.16Å; T334-R337 PolarHBondContact O-N 3.22Å; A335-R337 VanDerWaalsContact C-N 3.35Å; A335-R337 PolarHBondContact O-N 3.37Å; R337-V340 PolarHBondContact O-N 2.89Å; R337-M341 HydrophobicContact CG-CG 4.46Å; R337-M341 WeakPolarHBondContact O-CB 3.28Å; R337-M341 VanDerWaalsContact O-CG 3.32Å; R337-M341 WeakPolarHBondContact O-CG 3.42Å; R337-M341 PolarHBondContact O-N 3.2Å; R337-S384 WeakPolarHBondContact CG-O 3.31Å; R337-S384 PolarHBondContact NE-O 3.34Å; R337-T385 HydrophobicContact CB-CG2 4.42Å
338	N	98	Very high	97	Very high	60 Å²	60	44.9 Å²	44.9	32%	0.321	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-44.8	-176.8	-69.1	-20.9	0	0	0	110.9	T334 A335 F336 V340 M341 E342	T334-N338 PolarHBondContact O-N 3.1Å; T334-N338 PolarHBondContact O-ND2 3.45Å; A335-N338 PolarHBondContact O-N 2.87Å; F336-N338 PolarHBondContact O-N 2.92Å; N338-V340 PolarHBondContact O-N 3Å; N338-M341 PolarHBondContact O-N 3.37Å; N338-E342 WeakPolarHBondContact O-CG 2.93Å; N338-E342 PolarHBondContact O-N 3.05Å
339	F	97.8	Very high	97	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.048	21%	0.208	C	C	.	.	H	α-helix	trans	-56.5	-48.8	173.8	170	-112.1	0	0	0	112.4	F289 E313 Y315 A335 F336 M341 E342 N343	F289-F339 HydrophobicContact CB-CE1 4.25Å; F289-F339 AromaticContact CD1-CE1 3.56Å; F289-F339 HydrophobicContact CD1-CE1 3.56Å; F289-F339 AromaticContact CD1-CZ 3.77Å; F289-F339 HydrophobicContact CD1-CZ 3.77Å; F289-F339 HydrophobicContact CE1-CE1 4.32Å; F289-F339 HydrophobicContact CE1-CZ 4.17Å; F289-F339 HydrophobicContact CG-CE1 4.26Å; E313-F339 HydrophobicContact CG-CZ 3.9Å; Y315-F339 HydrophobicContact CD1-CB 4.3Å; Y315-F339 HydrophobicContact CD1-CD1 4.09Å; Y315-F339 HydrophobicContact CD1-CG 4.3Å; Y315-F339 HydrophobicContact CD2-CB 4.21Å; Y315-F339 AromaticContact CD2-CD1 3.74Å; Y315-F339 HydrophobicContact CD2-CD1 3.74Å; Y315-F339 AromaticContact CD2-CD2 3.83Å; Y315-F339 HydrophobicContact CD2-CD2 3.83Å; Y315-F339 HydrophobicContact CD2-CE1 4.02Å; Y315-F339 HydrophobicContact CD2-CE2 4.12Å; Y315-F339 AromaticContact CD2-CG 3.63Å; Y315-F339 HydrophobicContact CD2-CG 3.63Å; Y315-F339 HydrophobicContact CD2-CZ 4.22Å; Y315-F339 HydrophobicContact CE1-CB 4.05Å; Y315-F339 HydrophobicContact CE1-CG 4.44Å; Y315-F339 HydrophobicContact CE2-CB 3.95Å; Y315-F339 HydrophobicContact CE2-CD1 4.34Å; Y315-F339 AromaticContact CE2-CD2 3.91Å; Y315-F339 HydrophobicContact CE2-CD2 3.91Å; Y315-F339 AromaticContact CE2-CG 3.8Å; Y315-F339 HydrophobicContact CE2-CG 3.8Å; Y315-F339 HydrophobicContact CG-CB 4.37Å; Y315-F339 AromaticContact CG-CD1 3.58Å; Y315-F339 HydrophobicContact CG-CD1 3.58Å; Y315-F339 AromaticContact CG-CE1 3.95Å; Y315-F339 HydrophobicContact CG-CE1 3.95Å; Y315-F339 AromaticContact CG-CG 3.9Å; Y315-F339 HydrophobicContact CG-CG 3.9Å; A335-F339 WeakPolarHBondContact O-CB 3.39Å; A335-F339 PolarHBondContact O-N 2.85Å; F336-F339 HydrophobicContact CD2-CD1 4.45Å; F336-F339 PolarHBondContact O-N 3.22Å; F339-M341 PolarHBondContact O-N 2.72Å; F339-E342 PolarHBondContact O-N 2.84Å; F339-N343 VanDerWaalsContact CD2-ND2 3.33Å; F339-N343 WeakPolarHBondContact CD2-ND2 3.37Å; F339-N343 VanDerWaalsContact CE2-ND2 3.32Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.45Å; F339-N343 PolarHBondContact O-N 2.79Å; F339-N343 PolarHBondContact O-ND2 3.19Å
340	V	98.1	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-47.1	175.7	163.1	0	0	0	0	111.4	F289 F336 R337 N338 E342 N343 T344 L349 T385	F289-V340 HydrophobicContact CB-CG2 4.25Å; F289-V340 HydrophobicContact CD2-CG2 4.47Å; F289-V340 HydrophobicContact CG-CG2 4.41Å; F336-V340 HydrophobicContact CD1-CG2 4.32Å; F336-V340 HydrophobicContact CE1-CG2 3.99Å; F336-V340 HydrophobicContact CE2-CG2 4.23Å; F336-V340 HydrophobicContact CZ-CG2 3.94Å; F336-V340 WeakPolarHBondContact O-CB 3.35Å; F336-V340 WeakPolarHBondContact O-CG2 3.04Å; F336-V340 PolarHBondContact O-N 2.73Å; R337-V340 PolarHBondContact O-N 2.89Å; N338-V340 PolarHBondContact O-N 3Å; V340-E342 VanDerWaalsContact C-N 3.34Å; V340-E342 PolarHBondContact O-N 3.34Å; V340-N343 PolarHBondContact O-N 2.88Å; V340-T344 HydrophobicContact CG1-CG2 4.33Å; V340-T344 WeakPolarHBondContact O-CB 3.27Å; V340-T344 VanDerWaalsContact O-CG2 3.3Å; V340-T344 WeakPolarHBondContact O-CG2 3.19Å; V340-T344 PolarHBondContact O-N 2.85Å; V340-T344 VanDerWaalsContact O-N 3.08Å; V340-T344 PolarHBondContact O-OG1 2.95Å; V340-L349 HydrophobicContact CG1-CD1 4.24Å; V340-L349 HydrophobicContact CG1-CD2 3.65Å; V340-L349 HydrophobicContact CG1-CG 3.64Å; V340-L349 HydrophobicContact CG2-CD2 4.4Å; V340-T385 HydrophobicContact CB-CG2 4.44Å; V340-T385 HydrophobicContact CG1-CG2 4.44Å; V340-T385 HydrophobicContact CG2-CG2 4.45Å
341	M	97.5	Very high	97.1	Very high	30 Å²	30	42.1 Å²	42.1	15%	0.148	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-37.1	-178.4	-75.3	-65.5	-166.9	0	0	112.7	R337 N338 F339 N343 R346	R337-M341 HydrophobicContact CG-CG 4.46Å; R337-M341 WeakPolarHBondContact O-CB 3.28Å; R337-M341 VanDerWaalsContact O-CG 3.32Å; R337-M341 WeakPolarHBondContact O-CG 3.42Å; R337-M341 PolarHBondContact O-N 3.2Å; N338-M341 PolarHBondContact O-N 3.37Å; F339-M341 PolarHBondContact O-N 2.72Å; M341-N343 VanDerWaalsContact C-N 3.33Å; M341-R346 VanDerWaalsContact O-CA 3.25Å; M341-R346 WeakPolarHBondContact O-CA 3.33Å; M341-R346 PolarHBondContact O-N 2.88Å
342	E	95.8	Very high	97.2	Very high	126 Å²	126	38.2 Å²	38.2	59%	0.589	18%	0.176	S	C	*	.	H	α-helix	trans	-67.8	-32.3	176.2	-73.6	170.3	-169.8	0	0	112.7	N338 F339 V340	N338-E342 WeakPolarHBondContact O-CG 2.93Å; N338-E342 PolarHBondContact O-N 3.05Å; F339-E342 PolarHBondContact O-N 2.84Å; V340-E342 VanDerWaalsContact C-N 3.34Å; V340-E342 PolarHBondContact O-N 3.34Å
343	N	95.4	Very high	97.2	Very high	34 Å²	34	38 Å²	38	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-96	0.5	-176.6	-70	-80.1	0	0	0	114.7	F289 F339 V340 M341 P685	F289-N343 HydrophobicContact CE1-CB 3.69Å; F289-N343 HydrophobicContact CZ-CB 3.65Å; F339-N343 VanDerWaalsContact CD2-ND2 3.33Å; F339-N343 WeakPolarHBondContact CD2-ND2 3.37Å; F339-N343 VanDerWaalsContact CE2-ND2 3.32Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.45Å; F339-N343 PolarHBondContact O-N 2.79Å; F339-N343 PolarHBondContact O-ND2 3.19Å; V340-N343 PolarHBondContact O-N 2.88Å; M341-N343 VanDerWaalsContact C-N 3.33Å; N343-P685 VanDerWaalsContact OD1-CG 3.26Å; N343-P685 WeakPolarHBondContact OD1-CG 3.24Å
344	T	95.4	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	29.4	-179.7	58.1	0	0	0	0	113	Y263 F289 V340 R346 R347 G348 L349	Y263-T344 HydrophobicContact CD1-CG2 3.88Å; Y263-T344 HydrophobicContact CD2-CG2 4.17Å; Y263-T344 HydrophobicContact CE1-CG2 4.41Å; Y263-T344 HydrophobicContact CG-CG2 3.73Å; F289-T344 HydrophobicContact CE2-CG2 3.78Å; F289-T344 HydrophobicContact CZ-CG2 4.26Å; V340-T344 HydrophobicContact CG1-CG2 4.33Å; V340-T344 WeakPolarHBondContact O-CB 3.27Å; V340-T344 VanDerWaalsContact O-CG2 3.3Å; V340-T344 WeakPolarHBondContact O-CG2 3.19Å; V340-T344 PolarHBondContact O-N 2.85Å; V340-T344 VanDerWaalsContact O-N 3.08Å; V340-T344 PolarHBondContact O-OG1 2.95Å; T344-R346 PolarHBondContact O-N 2.84Å; T344-R347 WeakPolarHBondContact O-CB 3.4Å; T344-R347 PolarHBondContact O-N 2.99Å; T344-G348 WeakPolarHBondContact OG1-CA 3.49Å; T344-G348 PolarHBondContact OG1-N 2.72Å; T344-G348 VanDerWaalsContact OG1-N 3.08Å; T344-L349 HydrophobicContact CG2-CD2 4.2Å
345	D	92.6	Very high	97.1	Very high	98 Å²	98	36.3 Å²	36.3	52%	0.524	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	35.6	179.9	-45.7	-49.9	0	0	0	112.6	R347 K680	D345-R347 PolarHBondContact O-N 3.22Å; D345-K680 IonicContact OD1-NZ 3.69Å; D345-K680 PolarHBondContact OD1-NZ 2.91Å; D345-K680 IonicContact OD2-NZ 3.05Å; D345-K680 PolarHBondContact OD2-NZ 3.13Å
346	R	95.4	Very high	96.7	Very high	165 Å²	165	35.7 Å²	35.7	62%	0.623	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	14.2	-172.9	-60.1	-65.1	-145.1	-167.8	3.7	115.6	M341 T344	M341-R346 VanDerWaalsContact O-CA 3.25Å; M341-R346 WeakPolarHBondContact O-CA 3.33Å; M341-R346 PolarHBondContact O-N 2.88Å; T344-R346 PolarHBondContact O-N 2.84Å
347	R	94.5	Very high	96.2	Very high	122 Å²	122	37.3 Å²	37.3	46%	0.46	18%	0.176	S	C	.	.	S	Bend	trans	-91.7	-27	179.3	-67.5	175.6	66.8	-152.8	-3.4	113.7	E260 T344 D345 R387	E260-R347 IonicContact OE1-CZ 3.46Å; E260-R347 IonicContact OE1-NH1 3.68Å; E260-R347 PolarHBondContact OE1-NH1 3Å; E260-R347 IonicContact OE1-NH2 3.84Å; T344-R347 WeakPolarHBondContact O-CB 3.4Å; T344-R347 PolarHBondContact O-N 2.99Å; D345-R347 PolarHBondContact O-N 3.22Å; R347-R387 VanDerWaalsContact O-CA 3.23Å; R347-R387 WeakPolarHBondContact O-CA 3.27Å; R347-R387 WeakPolarHBondContact O-CB 3.42Å
348	G	97.1	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.			trans	87.9	176.8	-173	0	0	0	0	0	114	T344 T385 R387	T344-G348 WeakPolarHBondContact OG1-CA 3.49Å; T344-G348 PolarHBondContact OG1-N 2.72Å; T344-G348 VanDerWaalsContact OG1-N 3.08Å; G348-T385 CarbonylContact C-O 3.49Å; G348-T385 VanDerWaalsContact CA-O 3.26Å; G348-T385 WeakPolarHBondContact CA-O 3.23Å; G348-R387 PolarHBondContact O-NE 2.92Å; G348-R387 VanDerWaalsContact O-NE 3.08Å; G348-R387 PolarHBondContact O-NH2 3.11Å
349	L	98.4	Very high	95.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	150.3	-176.3	-54.3	172.7	0	0	0	111.8	F289 V340 T344 L352 T385 L386 R387	F289-L349 HydrophobicContact CD2-CD2 3.65Å; F289-L349 HydrophobicContact CE2-CD2 4.03Å; V340-L349 HydrophobicContact CG1-CD1 4.24Å; V340-L349 HydrophobicContact CG1-CD2 3.65Å; V340-L349 HydrophobicContact CG1-CG 3.64Å; V340-L349 HydrophobicContact CG2-CD2 4.4Å; T344-L349 HydrophobicContact CG2-CD2 4.2Å; L349-L352 HydrophobicContact CD1-CB 4.49Å; L349-L352 HydrophobicContact CD1-CD1 3.92Å; L349-T385 PolarHBondContact N-O 3.12Å; L349-L386 HydrophobicContact CB-CD2 4.3Å; L349-R387 VanDerWaalsContact O-CG 3.24Å; L349-R387 WeakPolarHBondContact O-CG 3.36Å; L349-R387 PolarHBondContact O-N 2.87Å
350	H	98.5	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-38.2	168.1	-64.6	84.9	0	0	0	111.1	P245 E260 L261 L262 Y263 R387 G390 H391	P245-H350 HydrophobicContact CG-CB 4.28Å; E260-H350 IonicContact OE1-NE2 2.66Å; L261-H350 PolarHBondContact O-CE1 3.28Å; L262-H350 HydrophobicContact CD1-CB 3.92Å; Y263-H350 PolarHBondContact N-ND1 3.45Å; Y263-H350 VanDerWaalsContact N-ND1 3.14Å; Y263-H350 WeakPolarHBondContact O-CB 3.44Å; Y263-H350 PolarHBondContact O-N 3.14Å; Y263-H350 PolarHBondContact O-ND1 2.69Å; H350-R387 VanDerWaalsContact CE1-CZ 3.45Å; H350-R387 PolarHBondContact CE1-NH1 2.69Å; H350-R387 VanDerWaalsContact CE1-NH1 3.26Å; H350-R387 PolarHBondContact NE2-NH1 3.47Å; H350-G390 CarbonylContact O-C 3.6Å; H350-G390 WeakPolarHBondContact O-CA 3.47Å; H350-H391 PolarHBondContact O-N 3.49Å
351	F	98.9	Very high	94	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	159.1	172.6	65.1	-83.2	0	0	0	112.1	F242 L262 F264 G265 I278 M353 H391	F242-F351 HydrophobicContact CB-CD1 4.31Å; F242-F351 HydrophobicContact CB-CD2 4.09Å; F242-F351 HydrophobicContact CB-CE1 4.25Å; F242-F351 HydrophobicContact CB-CE2 3.99Å; F242-F351 HydrophobicContact CB-CG 4.24Å; F242-F351 HydrophobicContact CB-CZ 4.07Å; F242-F351 HydrophobicContact CD1-CB 4Å; F242-F351 AromaticContact CD1-CD2 3.7Å; F242-F351 HydrophobicContact CD1-CD2 3.7Å; F242-F351 HydrophobicContact CD1-CE2 4.34Å; F242-F351 AromaticContact CD1-CG 3.89Å; F242-F351 HydrophobicContact CD1-CG 3.89Å; F242-F351 HydrophobicContact CG-CD2 4.36Å; F242-F351 WeakPolarHBondContact O-CD1 3.41Å; F242-F351 WeakPolarHBondContact O-CE1 3.09Å; L262-F351 HydrophobicContact CD1-CD1 4.41Å; L262-F351 HydrophobicContact CD1-CE1 4.01Å; L262-F351 HydrophobicContact CD2-CE1 3.96Å; L262-F351 HydrophobicContact CG-CE1 4.03Å; F264-F351 VanDerWaalsContact CA-O 3.32Å; F264-F351 WeakPolarHBondContact CA-O 3.09Å; F264-F351 HydrophobicContact CB-CD1 4.04Å; F264-F351 HydrophobicContact CB-CD2 4.04Å; F264-F351 HydrophobicContact CB-CE1 3.51Å; F264-F351 HydrophobicContact CB-CE2 3.55Å; F264-F351 HydrophobicContact CB-CG 4.27Å; F264-F351 HydrophobicContact CB-CZ 3.27Å; F264-F351 HydrophobicContact CD1-CZ 4.46Å; F264-F351 HydrophobicContact CD2-CE2 4.33Å; F264-F351 HydrophobicContact CD2-CZ 4.39Å; F264-F351 HydrophobicContact CG-CE1 4.42Å; F264-F351 HydrophobicContact CG-CE2 4.16Å; F264-F351 AromaticContact CG-CZ 3.83Å; F264-F351 HydrophobicContact CG-CZ 3.83Å; G265-F351 PolarHBondContact N-O 2.79Å; G265-F351 VanDerWaalsContact N-O 3.08Å; I278-F351 HydrophobicContact CD1-CE2 4.02Å; I278-F351 HydrophobicContact CD1-CZ 3.76Å; I278-F351 HydrophobicContact CG1-CE2 4.17Å; I278-F351 HydrophobicContact CG1-CZ 4.01Å; I278-F351 HydrophobicContact CG2-CZ 3.97Å; F351-M353 HydrophobicContact CD2-CG 3.77Å; F351-M353 HydrophobicContact CD2-SD 4.37Å; F351-M353 HydrophobicContact CE2-CE 4.16Å; F351-M353 HydrophobicContact CE2-CG 3.72Å; F351-M353 HydrophobicContact CE2-SD 3.72Å; F351-H391 CarbonylContact C-O 3.55Å; F351-H391 WeakPolarHBondContact CA-O 3.3Å; F351-H391 HydrophobicContact CB-CB 4.06Å; F351-H391 VanDerWaalsContact CB-O 3.26Å; F351-H391 WeakPolarHBondContact CB-O 3.32Å
352	L	98.9	Very high	93.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.8	171.5	-175.8	73.1	0	0	0	108	V267 L349 T381 A382 L386 H391 F392 V393	V267-L352 HydrophobicContact CG1-CD1 4.04Å; V267-L352 HydrophobicContact CG2-CD1 4.24Å; V267-L352 HydrophobicContact CG2-CD2 4.12Å; V267-L352 HydrophobicContact CG2-CG 4.32Å; L349-L352 HydrophobicContact CD1-CB 4.49Å; L349-L352 HydrophobicContact CD1-CD1 3.92Å; L352-T381 HydrophobicContact CD2-CG2 4.07Å; L352-A382 VanDerWaalsContact CD2-CA 3.41Å; L352-A382 HydrophobicContact CD2-CB 3.79Å; L352-L386 HydrophobicContact CB-CD2 4.12Å; L352-L386 HydrophobicContact CB-CG 4.42Å; L352-H391 PolarHBondContact N-O 3.34Å; L352-H391 VanDerWaalsContact N-O 3.1Å; L352-F392 HydrophobicContact CB-CD2 4Å; L352-F392 HydrophobicContact CB-CE2 4.44Å; L352-F392 HydrophobicContact CD2-CD2 4.25Å; L352-F392 HydrophobicContact CD2-CE2 3.91Å; L352-F392 HydrophobicContact CG-CD2 4.31Å; L352-F392 HydrophobicContact CG-CE2 4.25Å; L352-F392 WeakPolarHBondContact O-CA 3.24Å; L352-F392 WeakPolarHBondContact O-CD2 2.97Å; L352-V393 PolarHBondContact O-N 3.09Å; L352-V393 VanDerWaalsContact O-N 3.1Å
353	M	98.8	Very high	93	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.9	168.9	-49	174.9	-66.6	0	0	108.9	M231 F264 G265 D266 V267 F274 I278 F351 V393	M231-M353 HydrophobicContact CG-SD 3.65Å; M231-M353 HydrophobicContact SD-CG 4.3Å; M231-M353 HydrophobicContact SD-SD 3.79Å; F264-M353 HydrophobicContact CD2-CE 3.73Å; F264-M353 HydrophobicContact CE2-CE 3.87Å; G265-M353 PolarHBondContact O-N 2.93Å; D266-M353 WeakPolarHBondContact CA-O 3.43Å; D266-M353 HydrophobicContact CB-CE 3.98Å; V267-M353 PolarHBondContact N-O 3.26Å; F274-M353 HydrophobicContact CB-CE 3.74Å; F274-M353 HydrophobicContact CB-SD 3.92Å; F274-M353 HydrophobicContact CD2-CB 3.74Å; F274-M353 HydrophobicContact CD2-SD 4.27Å; F274-M353 HydrophobicContact CE2-CB 4.37Å; F274-M353 HydrophobicContact CG-SD 4.42Å; I278-M353 HydrophobicContact CD1-SD 4.19Å; I278-M353 HydrophobicContact CG1-CE 3.8Å; I278-M353 HydrophobicContact CG1-SD 3.8Å; F351-M353 HydrophobicContact CD2-CG 3.77Å; F351-M353 HydrophobicContact CD2-SD 4.37Å; F351-M353 HydrophobicContact CE2-CE 4.16Å; F351-M353 HydrophobicContact CE2-CG 3.72Å; F351-M353 HydrophobicContact CE2-SD 3.72Å; M353-V393 CarbonylContact C-O 3.43Å; M353-V393 WeakPolarHBondContact CA-O 3.23Å; M353-V393 HydrophobicContact CB-CG1 3.93Å; M353-V393 HydrophobicContact CG-CG1 3.76Å
354	A	98.4	Very high	92.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	123.9	178.7	0	0	0	0	0	110.5	V267 Q378 F392 V393 C394 K395	V267-A354 HydrophobicContact CG2-CB 3.68Å; V267-A354 WeakPolarHBondContact O-CA 3.11Å; A354-Q378 HydrophobicContact CB-CB 4.03Å; A354-Q378 HydrophobicContact CB-CG 3.98Å; A354-F392 HydrophobicContact CB-CE2 4.08Å; A354-F392 HydrophobicContact CB-CZ 4.47Å; A354-V393 PolarHBondContact N-O 3.08Å; A354-C394 HydrophobicContact CB-CB 4.23Å; A354-C394 CarbonylContact O-C 3.44Å; A354-C394 WeakPolarHBondContact O-CA 3.48Å; A354-K395 PolarHBondContact O-N 3.33Å
355	D	95.1	Very high	92.6	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.134	27%	0.27	C	S	.	.			trans	-124.3	33.8	-178.6	-158.5	38.2	0	0	0	111.8	V267 C268 F274 K395 Y434	V267-D355 PolarHBondContact O-N 3.07Å; C268-D355 CarbonylContact O-C 3.56Å; F274-D355 HydrophobicContact CD2-CB 4.15Å; F274-D355 HydrophobicContact CE2-CB 3.66Å; F274-D355 HydrophobicContact CZ-CB 3.92Å; D355-K395 WeakPolarHBondContact O-CE 3.41Å; D355-K395 PolarHBondContact O-NZ 3.28Å; D355-K395 WeakPolarHBondContact OD1-CB 3.17Å; D355-K395 WeakPolarHBondContact OD1-CD 3.4Å; D355-K395 VanDerWaalsContact OD1-CE 3.29Å; D355-K395 WeakPolarHBondContact OD1-CE 3.46Å; D355-K395 IonicContact OD1-NZ 2.71Å; D355-K395 PolarHBondContact OD1-NZ 3.35Å; D355-K395 IonicContact OD2-NZ 3.86Å; D355-K395 PolarHBondContact OD2-NZ 2.9Å; D355-Y434 PolarHBondContact OD1-OH 3.28Å
356	G	89.9	Confident	92.6	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.031	25%	0.251	C	S	.	.			trans	-65	139.7	-176.4	0	0	0	0	0	114.1	Q378 K395	G356-Q378 VanDerWaalsContact CA-OE1 3.24Å; G356-K395 WeakPolarHBondContact O-CE 3.49Å
357	G	88	Confident	92.6	Very high	34 Å²	34	41.4 Å²	41.4	35%	0.351	23%	0.226	S	C	.	.			trans	177.2	157.1	173.1	0	0	0	0	0	109.7
358	F	87.5	Confident	92.7	Very high	94 Å²	94	35.9 Å²	35.9	41%	0.412	21%	0.205	S	C	.	.			trans	-134	166	176.1	52.8	-96.3	0	0	0	110	V360 L370 T371 L374	F358-V360 HydrophobicContact CD2-CG1 4Å; F358-V360 HydrophobicContact CE2-CG1 3.83Å; F358-L370 HydrophobicContact CE2-CB 4.32Å; F358-L370 HydrophobicContact CZ-CB 4.19Å; F358-L370 WeakPolarHBondContact CZ-O 3.43Å; F358-T371 HydrophobicContact CD1-CG2 4.26Å; F358-T371 HydrophobicContact CE1-CG2 3.74Å; F358-T371 HydrophobicContact CE2-CG2 4.49Å; F358-T371 HydrophobicContact CZ-CG2 3.87Å; F358-L374 HydrophobicContact CD1-CD2 4.07Å; F358-L374 HydrophobicContact CE1-CD2 4.31Å
359	S	84.8	Confident	92.7	Very high	72 Å²	72	36.8 Å²	36.8	50%	0.503	21%	0.21	S	C	.	.			trans	-66.6	134.5	178.1	-167.5	0	0	0	0	110.7
360	V	88.3	Confident	92.6	Very high	14 Å²	14	39.5 Å²	39.5	9%	0.085	22%	0.224	C	C	.	.			trans	-127.6	35	177.6	-65.9	0	0	0	0	109.8	F358 G362 Q363 E364 Q367 L370	F358-V360 HydrophobicContact CD2-CG1 4Å; F358-V360 HydrophobicContact CE2-CG1 3.83Å; V360-G362 PolarHBondContact O-N 3.08Å; V360-Q363 CarbonylContact O-C 3.54Å; V360-Q363 VanDerWaalsContact O-C 3.3Å; V360-Q363 WeakPolarHBondContact O-CA 3.37Å; V360-Q363 PolarHBondContact O-N 3.21Å; V360-E364 PolarHBondContact O-N 3.14Å; V360-Q367 HydrophobicContact CG1-CG 4.26Å; V360-Q367 HydrophobicContact CG2-CB 3.96Å; V360-Q367 HydrophobicContact CG2-CG 3.81Å; V360-L370 HydrophobicContact CB-CD1 4.15Å; V360-L370 HydrophobicContact CG1-CB 4.4Å; V360-L370 HydrophobicContact CG1-CD1 3.71Å
361	E	84.9	Confident	92.5	Very high	166 Å²	166	39.9 Å²	39.9	78%	0.776	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	123.7	-175.1	-172.6	172.8	-173	0	0	111.9	Q363 E364	E361-Q363 VanDerWaalsContact C-N 3.29Å; E361-Q363 PolarHBondContact O-N 3.24Å; E361-E364 VanDerWaalsContact CA-OE1 3.31Å; E361-E364 WeakPolarHBondContact CA-OE1 3.41Å
362	G	83.6	Confident	92.5	Very high	66 Å²	66	41.1 Å²	41.1	68%	0.68	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	7.1	-174.5	0	0	0	0	0	115.1	V360 E364	V360-G362 PolarHBondContact O-N 3.08Å; G362-E364 VanDerWaalsContact C-OE2 3.32Å; G362-E364 VanDerWaalsContact CA-OE2 3.27Å; G362-E364 WeakPolarHBondContact CA-OE2 3.4Å; G362-E364 VanDerWaalsContact N-CD 3.33Å; G362-E364 PolarHBondContact N-OE1 2.71Å; G362-E364 PolarHBondContact N-OE2 2.89Å
363	Q	89.6	Confident	92.5	Very high	108 Å²	108	42.3 Å²	42.3	51%	0.505	24%	0.238	S	C	.	.			trans	-139.2	25.8	177.1	-62.7	-170.5	3.7	0	0	112.1	V360 E361 N365 I366 L370	V360-Q363 CarbonylContact O-C 3.54Å; V360-Q363 VanDerWaalsContact O-C 3.3Å; V360-Q363 WeakPolarHBondContact O-CA 3.37Å; V360-Q363 PolarHBondContact O-N 3.21Å; E361-Q363 VanDerWaalsContact C-N 3.29Å; E361-Q363 PolarHBondContact O-N 3.24Å; Q363-N365 PolarHBondContact O-N 3Å; Q363-N365 VanDerWaalsContact O-N 3.17Å; Q363-I366 HydrophobicContact CB-CD1 4.25Å; Q363-I366 HydrophobicContact CB-CG1 3.95Å; Q363-I366 VanDerWaalsContact O-CG1 3.25Å; Q363-I366 WeakPolarHBondContact O-CG1 3.48Å; Q363-I366 PolarHBondContact O-N 2.84Å; Q363-L370 HydrophobicContact CB-CD1 4.22Å
364	E	89.4	Confident	92.4	Very high	83 Å²	83	43.5 Å²	43.5	39%	0.388	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56.5	-35.7	-173.5	-67.8	77.2	-175.1	0	0	112.7	V360 E361 G362 I366 Q367	V360-E364 PolarHBondContact O-N 3.14Å; E361-E364 VanDerWaalsContact CA-OE1 3.31Å; E361-E364 WeakPolarHBondContact CA-OE1 3.41Å; G362-E364 VanDerWaalsContact C-OE2 3.32Å; G362-E364 VanDerWaalsContact CA-OE2 3.27Å; G362-E364 WeakPolarHBondContact CA-OE2 3.4Å; G362-E364 VanDerWaalsContact N-CD 3.33Å; G362-E364 PolarHBondContact N-OE1 2.71Å; G362-E364 PolarHBondContact N-OE2 2.89Å; E364-I366 PolarHBondContact O-N 2.65Å; E364-Q367 WeakPolarHBondContact O-CB 3.17Å; E364-Q367 PolarHBondContact O-N 2.9Å
365	N	91.1	Very high	92.5	Very high	35 Å²	35	43.9 Å²	43.9	19%	0.187	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24.8	178.6	-74.7	-22.2	0	0	0	113.5	I175 L191 K194 T195 Q363	I175-N365 HydrophobicContact CG2-CB 4.45Å; I175-N365 WeakPolarHBondContact CG2-O 3.31Å; L191-N365 HydrophobicContact CD2-CB 3.94Å; K194-N365 WeakPolarHBondContact CB-OD1 3.34Å; K194-N365 WeakPolarHBondContact CD-OD1 3.15Å; T195-N365 PolarHBondContact OG1-ND2 2.99Å; Q363-N365 PolarHBondContact O-N 3Å; Q363-N365 VanDerWaalsContact O-N 3.17Å
366	I	93.6	Very high	92.6	Very high	26 Å²	26	42.7 Å²	42.7	13%	0.133	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-107.1	17.4	179.4	61.7	165.9	0	0	0	113.1	I175 Q363 E364 E368 I369 L370	I175-I366 HydrophobicContact CB-CG2 4.45Å; Q363-I366 HydrophobicContact CB-CD1 4.25Å; Q363-I366 HydrophobicContact CB-CG1 3.95Å; Q363-I366 VanDerWaalsContact O-CG1 3.25Å; Q363-I366 WeakPolarHBondContact O-CG1 3.48Å; Q363-I366 PolarHBondContact O-N 2.84Å; E364-I366 PolarHBondContact O-N 2.65Å; I366-E368 VanDerWaalsContact C-N 3.26Å; I366-E368 PolarHBondContact O-N 3.44Å; I366-I369 HydrophobicContact CB-CD1 4.42Å; I366-I369 HydrophobicContact CG2-CD1 4.34Å; I366-I369 PolarHBondContact O-N 3.1Å; I366-I369 VanDerWaalsContact O-N 3.08Å; I366-L370 HydrophobicContact CD1-CD1 4.14Å; I366-L370 HydrophobicContact CD1-CD2 4.32Å; I366-L370 HydrophobicContact CD1-CG 4.18Å; I366-L370 HydrophobicContact CG1-CD1 3.96Å; I366-L370 HydrophobicContact CG1-CG 4.17Å; I366-L370 WeakPolarHBondContact O-CG 3.47Å; I366-L370 PolarHBondContact O-N 2.95Å
367	Q	95.3	Very high	93.1	Very high	21 Å²	21	42.6 Å²	42.6	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-54	-39.4	-179.2	-172.5	167.5	42.9	0	0	113.3	V360 E364 L370 T371 F397	V360-Q367 HydrophobicContact CG1-CG 4.26Å; V360-Q367 HydrophobicContact CG2-CB 3.96Å; V360-Q367 HydrophobicContact CG2-CG 3.81Å; E364-Q367 WeakPolarHBondContact O-CB 3.17Å; E364-Q367 PolarHBondContact O-N 2.9Å; Q367-L370 PolarHBondContact O-N 2.62Å; Q367-T371 HydrophobicContact CG-CG2 4.21Å; Q367-T371 WeakPolarHBondContact O-CB 3.18Å; Q367-T371 WeakPolarHBondContact O-CG2 3.37Å; Q367-T371 PolarHBondContact O-N 3.23Å; Q367-T371 PolarHBondContact O-OG1 3.06Å; Q367-F397 HydrophobicContact CG-CB 4.48Å; Q367-F397 HydrophobicContact CG-CD1 4.32Å; Q367-F397 HydrophobicContact CG-CD2 3.85Å; Q367-F397 HydrophobicContact CG-CE2 4.13Å; Q367-F397 HydrophobicContact CG-CG 3.95Å; Q367-F397 HydrophobicContact CG-CZ 4.47Å
368	E	97.3	Very high	93.6	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-56.4	-52.3	175.6	-178.8	-178.2	165.6	0	0	111.2	I366 L370 T371 K372 D398 L399 F400 T401 S404	I366-E368 VanDerWaalsContact C-N 3.26Å; I366-E368 PolarHBondContact O-N 3.44Å; E368-L370 PolarHBondContact O-N 2.93Å; E368-T371 PolarHBondContact O-N 2.82Å; E368-T371 PolarHBondContact O-OG1 3.22Å; E368-K372 PolarHBondContact O-N 3Å; E368-D398 HydrophobicContact CB-CB 4.34Å; E368-D398 VanDerWaalsContact CD-O 3.24Å; E368-D398 WeakPolarHBondContact CG-O 3.35Å; E368-L399 PolarHBondContact OE2-N 2.85Å; E368-F400 PolarHBondContact OE1-N 2.97Å; E368-F400 PolarHBondContact OE2-N 2.88Å; E368-T401 HydrophobicContact CG-CG2 4.43Å; E368-T401 VanDerWaalsContact OE1-CB 3.31Å; E368-T401 WeakPolarHBondContact OE1-CB 3.08Å; E368-T401 WeakPolarHBondContact OE1-CG2 3.09Å; E368-T401 PolarHBondContact OE1-N 2.95Å; E368-T401 PolarHBondContact OE1-OG1 3.34Å; E368-S404 WeakPolarHBondContact CG-OG 3.29Å; E368-S404 WeakPolarHBondContact OE1-CB 3.39Å; E368-S404 PolarHBondContact OE1-OG 3.19Å
369	I	97.3	Very high	94.1	Very high	18 Å²	18	36.7 Å²	36.7	9%	0.092	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-43.9	-178.3	-57.2	174.3	0	0	0	110.6	K172 L173 K174 I175 I366 T371 K372 T401	K172-I369 WeakPolarHBondContact O-CG2 3.47Å; L173-I369 HydrophobicContact CD2-CG2 3.99Å; K174-I369 WeakPolarHBondContact O-CD1 3.29Å; I175-I369 HydrophobicContact CD1-CD1 4.13Å; I175-I369 HydrophobicContact CD1-CG1 4.19Å; I366-I369 HydrophobicContact CB-CD1 4.42Å; I366-I369 HydrophobicContact CG2-CD1 4.34Å; I366-I369 PolarHBondContact O-N 3.1Å; I366-I369 VanDerWaalsContact O-N 3.08Å; I369-T371 VanDerWaalsContact C-N 3.34Å; I369-T371 PolarHBondContact O-N 2.91Å; I369-K372 WeakPolarHBondContact O-CB 3.17Å; I369-K372 WeakPolarHBondContact O-CD 3.46Å; I369-K372 VanDerWaalsContact O-CG 3.26Å; I369-K372 WeakPolarHBondContact O-CG 3.2Å; I369-K372 PolarHBondContact O-N 2.89Å; I369-T401 HydrophobicContact CG1-CG2 4.2Å
370	L	96.4	Very high	94.8	Very high	57 Å²	57	33.2 Å²	33.2	30%	0.298	18%	0.179	S	C	.	.	H	α-helix	trans	-65.1	-36.7	179.3	-65.3	176.2	0	0	0	112.2	F358 V360 Q363 I366 Q367 E368	F358-L370 HydrophobicContact CE2-CB 4.32Å; F358-L370 HydrophobicContact CZ-CB 4.19Å; F358-L370 WeakPolarHBondContact CZ-O 3.43Å; V360-L370 HydrophobicContact CB-CD1 4.15Å; V360-L370 HydrophobicContact CG1-CB 4.4Å; V360-L370 HydrophobicContact CG1-CD1 3.71Å; Q363-L370 HydrophobicContact CB-CD1 4.22Å; I366-L370 HydrophobicContact CD1-CD1 4.14Å; I366-L370 HydrophobicContact CD1-CD2 4.32Å; I366-L370 HydrophobicContact CD1-CG 4.18Å; I366-L370 HydrophobicContact CG1-CD1 3.96Å; I366-L370 HydrophobicContact CG1-CG 4.17Å; I366-L370 WeakPolarHBondContact O-CG 3.47Å; I366-L370 PolarHBondContact O-N 2.95Å; Q367-L370 PolarHBondContact O-N 2.62Å; E368-L370 PolarHBondContact O-N 2.93Å
371	T	96.7	Very high	95.3	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-91.6	-0.2	-176.6	59.2	0	0	0	0	114.3	F358 Q367 E368 I369 Q373 L374 L375 F397	F358-T371 HydrophobicContact CD1-CG2 4.26Å; F358-T371 HydrophobicContact CE1-CG2 3.74Å; F358-T371 HydrophobicContact CE2-CG2 4.49Å; F358-T371 HydrophobicContact CZ-CG2 3.87Å; Q367-T371 HydrophobicContact CG-CG2 4.21Å; Q367-T371 WeakPolarHBondContact O-CB 3.18Å; Q367-T371 WeakPolarHBondContact O-CG2 3.37Å; Q367-T371 PolarHBondContact O-N 3.23Å; Q367-T371 PolarHBondContact O-OG1 3.06Å; E368-T371 PolarHBondContact O-N 2.82Å; E368-T371 PolarHBondContact O-OG1 3.22Å; I369-T371 VanDerWaalsContact C-N 3.34Å; I369-T371 PolarHBondContact O-N 2.91Å; T371-Q373 VanDerWaalsContact C-N 3.34Å; T371-Q373 PolarHBondContact O-N 3.07Å; T371-Q373 VanDerWaalsContact O-N 3.17Å; T371-L374 WeakPolarHBondContact O-CA 3.32Å; T371-L374 WeakPolarHBondContact O-CB 3.34Å; T371-L374 PolarHBondContact O-N 2.87Å; T371-L375 PolarHBondContact O-N 3.25Å; T371-F397 HydrophobicContact CG2-CD2 4.4Å; T371-F397 HydrophobicContact CG2-CE2 4.11Å
372	K	97.8	Very high	95.9	Very high	26 Å²	26	24.7 Å²	24.7	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-51.2	-43.2	-174	77	-175.9	-71.6	-178.3	0	115.1	E368 I369 L375 L376 F403 D467 V468	E368-K372 PolarHBondContact O-N 3Å; I369-K372 WeakPolarHBondContact O-CB 3.17Å; I369-K372 WeakPolarHBondContact O-CD 3.46Å; I369-K372 VanDerWaalsContact O-CG 3.26Å; I369-K372 WeakPolarHBondContact O-CG 3.2Å; I369-K372 PolarHBondContact O-N 2.89Å; K372-L375 PolarHBondContact O-N 2.85Å; K372-L376 PolarHBondContact O-N 3.24Å; K372-L376 VanDerWaalsContact O-N 3.11Å; K372-F403 HydrophobicContact CB-CD1 3.8Å; K372-F403 HydrophobicContact CB-CE1 3.59Å; K372-F403 HydrophobicContact CB-CZ 4.37Å; K372-F403 HydrophobicContact CG-CE1 4.17Å; K372-F403 HydrophobicContact CG-CZ 4.48Å; K372-F403 WeakPolarHBondContact O-CE1 3.3Å; K372-D467 IonicContact NZ-OD2 3.33Å; K372-D467 PolarHBondContact NZ-OD2 3.14Å; K372-V468 PolarHBondContact NZ-O 2.68Å
373	Q	98.4	Very high	96.6	Very high	26 Å²	26	22 Å²	22	12%	0.121	11%	0.108	C	C	.	.	H	α-helix	trans	-70.4	-35.9	178.7	-172.5	179.6	12.8	0	0	111.4	T328 T371 L376 C377 N455 L458 N459	T328-Q373 HydrophobicContact CG2-CG 4.11Å; T371-Q373 VanDerWaalsContact C-N 3.34Å; T371-Q373 PolarHBondContact O-N 3.07Å; T371-Q373 VanDerWaalsContact O-N 3.17Å; Q373-L376 PolarHBondContact O-N 3.17Å; Q373-C377 WeakPolarHBondContact O-CB 3.36Å; Q373-C377 PolarHBondContact O-N 3Å; Q373-C377 PolarHBondContact O-SG 3.17Å; Q373-N455 PolarHBondContact NE2-OD1 2.93Å; Q373-L458 HydrophobicContact CB-CD1 4.1Å; Q373-L458 HydrophobicContact CG-CB 4.29Å; Q373-L458 HydrophobicContact CG-CD1 3.92Å; Q373-N459 VanDerWaalsContact NE2-CG 3.34Å; Q373-N459 PolarHBondContact NE2-OD1 2.94Å
374	L	98.3	Very high	97.1	Very high	25 Å²	25	17.1 Å²	17.1	13%	0.131	9%	0.086	C	C	.	.	H	α-helix	trans	-67.3	-39.3	176.7	-178.5	60.6	0	0	0	111.3	I327 F358 T371 C377 Q378	I327-L374 HydrophobicContact CG2-CD1 3.54Å; F358-L374 HydrophobicContact CD1-CD2 4.07Å; F358-L374 HydrophobicContact CE1-CD2 4.31Å; T371-L374 WeakPolarHBondContact O-CA 3.32Å; T371-L374 WeakPolarHBondContact O-CB 3.34Å; T371-L374 PolarHBondContact O-N 2.87Å; L374-C377 PolarHBondContact O-N 3.3Å; L374-Q378 VanDerWaalsContact O-CG 3.27Å; L374-Q378 WeakPolarHBondContact O-CG 3.42Å; L374-Q378 PolarHBondContact O-N 3.1Å; L374-Q378 VanDerWaalsContact O-N 3.08Å; L374-Q378 PolarHBondContact O-NE2 2.9Å
375	L	98.7	Very high	97.5	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.042	7%	0.067	C	C	.	.	H	α-helix	trans	-60.2	-50.7	173	-173.5	64.9	0	0	0	111	T371 K372 C377 Q378 F379 L399 L407	T371-L375 PolarHBondContact O-N 3.25Å; K372-L375 PolarHBondContact O-N 2.85Å; L375-C377 PolarHBondContact O-N 3.31Å; L375-Q378 PolarHBondContact O-N 3.46Å; L375-F379 HydrophobicContact CD1-CD1 4.19Å; L375-F379 HydrophobicContact CD1-CE1 3.4Å; L375-F379 HydrophobicContact CD1-CZ 3.61Å; L375-F379 HydrophobicContact CD2-CZ 4.43Å; L375-F379 HydrophobicContact CG-CE1 4Å; L375-F379 HydrophobicContact CG-CE2 4.41Å; L375-F379 HydrophobicContact CG-CZ 3.93Å; L375-F379 VanDerWaalsContact O-CD1 3.32Å; L375-F379 WeakPolarHBondContact O-CD1 3.32Å; L375-F379 PolarHBondContact O-N 2.63Å; L375-F379 VanDerWaalsContact O-N 3.1Å; L375-L399 HydrophobicContact CD2-CD2 4.49Å; L375-L407 HydrophobicContact CB-CD1 4.48Å; L375-L407 HydrophobicContact CD2-CD1 4.16Å; L375-L407 HydrophobicContact CG-CD1 4.2Å
376	L	98.8	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-55.8	-47.1	176.7	-175.4	150.5	0	0	0	112.4	K372 Q373 Q378 F379 L380 F403 L407 V454 N455 L458	K372-L376 PolarHBondContact O-N 3.24Å; K372-L376 VanDerWaalsContact O-N 3.11Å; Q373-L376 PolarHBondContact O-N 3.17Å; L376-Q378 PolarHBondContact O-N 3.02Å; L376-F379 PolarHBondContact O-N 3.04Å; L376-L380 WeakPolarHBondContact O-CB 3.3Å; L376-L380 PolarHBondContact O-N 3.21Å; L376-F403 HydrophobicContact CB-CZ 4.45Å; L376-F403 HydrophobicContact CD1-CZ 3.85Å; L376-L407 HydrophobicContact CB-CD1 3.91Å; L376-L407 HydrophobicContact CB-CD2 4.24Å; L376-L407 HydrophobicContact CD1-CD2 4.03Å; L376-L407 HydrophobicContact CG-CD2 4.03Å; L376-V454 HydrophobicContact CD1-CB 3.83Å; L376-V454 HydrophobicContact CD1-CG1 3.35Å; L376-N455 HydrophobicContact CD2-CB 3.74Å; L376-L458 HydrophobicContact CD1-CD1 4Å
377	C	98.8	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-71.1	-29.9	-176	-68.5	0	0	0	0	113.1	I327 Q373 L374 L375 T381 N455	I327-C377 HydrophobicContact CG1-CB 4.19Å; I327-C377 HydrophobicContact CG2-CB 4.09Å; I327-C377 WeakPolarHBondContact O-CB 3.2Å; Q373-C377 WeakPolarHBondContact O-CB 3.36Å; Q373-C377 PolarHBondContact O-N 3Å; Q373-C377 PolarHBondContact O-SG 3.17Å; L374-C377 PolarHBondContact O-N 3.3Å; L375-C377 PolarHBondContact O-N 3.31Å; C377-T381 VanDerWaalsContact O-CB 3.3Å; C377-T381 WeakPolarHBondContact O-CB 3.38Å; C377-T381 PolarHBondContact O-N 3.21Å; C377-T381 PolarHBondContact O-OG1 3.04Å; C377-N455 PolarHBondContact SG-OD1 2.92Å
378	Q	98.8	Very high	98	Very high	3 Å²	3	14.9 Å²	14.9	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-66.5	-43.9	170.3	-71	170.4	110.7	0	0	111	I327 A354 G356 L374 L375 L376 T381 A382	I327-Q378 HydrophobicContact CD1-CG 4.17Å; A354-Q378 HydrophobicContact CB-CB 4.03Å; A354-Q378 HydrophobicContact CB-CG 3.98Å; G356-Q378 VanDerWaalsContact CA-OE1 3.24Å; L374-Q378 VanDerWaalsContact O-CG 3.27Å; L374-Q378 WeakPolarHBondContact O-CG 3.42Å; L374-Q378 PolarHBondContact O-N 3.1Å; L374-Q378 VanDerWaalsContact O-N 3.08Å; L374-Q378 PolarHBondContact O-NE2 2.9Å; L375-Q378 PolarHBondContact O-N 3.46Å; L376-Q378 PolarHBondContact O-N 3.02Å; Q378-T381 PolarHBondContact O-N 3.04Å; Q378-A382 PolarHBondContact O-N 3.36Å
379	F	98.8	Very high	97.9	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-46	177.4	-71.2	16.4	0	0	0	111.5	L375 L376 T381 A382 L383 F392 C394 L407 L411 I435 M451	L375-F379 HydrophobicContact CD1-CD1 4.19Å; L375-F379 HydrophobicContact CD1-CE1 3.4Å; L375-F379 HydrophobicContact CD1-CZ 3.61Å; L375-F379 HydrophobicContact CD2-CZ 4.43Å; L375-F379 HydrophobicContact CG-CE1 4Å; L375-F379 HydrophobicContact CG-CE2 4.41Å; L375-F379 HydrophobicContact CG-CZ 3.93Å; L375-F379 VanDerWaalsContact O-CD1 3.32Å; L375-F379 WeakPolarHBondContact O-CD1 3.32Å; L375-F379 PolarHBondContact O-N 2.63Å; L375-F379 VanDerWaalsContact O-N 3.1Å; L376-F379 PolarHBondContact O-N 3.04Å; F379-T381 VanDerWaalsContact C-N 3.3Å; F379-T381 PolarHBondContact O-N 3.47Å; F379-A382 VanDerWaalsContact O-CB 3.3Å; F379-A382 WeakPolarHBondContact O-CB 3.29Å; F379-A382 PolarHBondContact O-N 3.44Å; F379-A382 VanDerWaalsContact O-N 3.13Å; F379-L383 PolarHBondContact O-N 3.07Å; F379-L383 VanDerWaalsContact O-N 3.1Å; F379-F392 AromaticContact CD1-CE1 3.61Å; F379-F392 HydrophobicContact CD1-CE1 3.61Å; F379-F392 AromaticContact CD1-CZ 3.93Å; F379-F392 HydrophobicContact CD1-CZ 3.93Å; F379-F392 HydrophobicContact CE1-CE1 4.07Å; F379-F392 HydrophobicContact CG-CE1 4.27Å; F379-C394 HydrophobicContact CD1-CB 4.37Å; F379-C394 HydrophobicContact CE1-CB 3.91Å; F379-L407 HydrophobicContact CD2-CB 3.85Å; F379-L407 HydrophobicContact CE2-CB 3.71Å; F379-L411 HydrophobicContact CB-CD2 4.28Å; F379-L411 HydrophobicContact CD1-CD1 3.98Å; F379-L411 HydrophobicContact CD2-CD1 3.44Å; F379-L411 VanDerWaalsContact CD2-CD1 3.44Å; F379-L411 HydrophobicContact CD2-CD2 4.12Å; F379-L411 HydrophobicContact CD2-CG 3.63Å; F379-L411 HydrophobicContact CE1-CD1 3.94Å; F379-L411 HydrophobicContact CE2-CD1 3.39Å; F379-L411 HydrophobicContact CE2-CG 3.86Å; F379-L411 HydrophobicContact CG-CD1 3.74Å; F379-L411 HydrophobicContact CG-CD2 4.29Å; F379-L411 HydrophobicContact CG-CG 4.19Å; F379-L411 HydrophobicContact CZ-CD1 3.66Å; F379-I435 HydrophobicContact CE1-CG2 3.8Å; F379-I435 HydrophobicContact CZ-CG2 3.79Å; F379-M451 HydrophobicContact CB-CE 4.34Å; F379-M451 HydrophobicContact CB-SD 4.09Å
380	L	98.8	Very high	97.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.6	-43	173.5	171.3	59.2	0	0	0	111.7	V333 L376 A382 L383 S384 R448 M451 F452 N455	V333-L380 HydrophobicContact CG1-CD2 4.37Å; V333-L380 HydrophobicContact CG1-CG 4.24Å; L376-L380 WeakPolarHBondContact O-CB 3.3Å; L376-L380 PolarHBondContact O-N 3.21Å; L380-A382 VanDerWaalsContact C-N 3.31Å; L380-A382 PolarHBondContact O-N 2.99Å; L380-L383 PolarHBondContact O-N 3.44Å; L380-S384 WeakPolarHBondContact O-CB 3.44Å; L380-S384 PolarHBondContact O-N 2.74Å; L380-S384 PolarHBondContact O-OG 3.47Å; L380-R448 HydrophobicContact CD1-CG 3.89Å; L380-R448 WeakPolarHBondContact CD1-O 3.49Å; L380-M451 HydrophobicContact CB-CB 4.15Å; L380-M451 HydrophobicContact CB-SD 4.48Å; L380-M451 HydrophobicContact CD1-CB 3.95Å; L380-M451 HydrophobicContact CG-CB 4.49Å; L380-F452 HydrophobicContact CD1-CB 4.04Å; L380-F452 HydrophobicContact CD2-CB 4.31Å; L380-F452 HydrophobicContact CD2-CD2 4.12Å; L380-N455 HydrophobicContact CD2-CB 4.38Å
381	T	98.8	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.9	-34.8	178.4	-60.4	0	0	0	0	111.7	V267 I327 F336 L352 C377 Q378 F379 S384 T385	V267-T381 HydrophobicContact CG1-CG2 4.2Å; I327-T381 HydrophobicContact CD1-CG2 4.48Å; F336-T381 HydrophobicContact CD1-CG2 4.03Å; F336-T381 HydrophobicContact CE1-CG2 4.19Å; L352-T381 HydrophobicContact CD2-CG2 4.07Å; C377-T381 VanDerWaalsContact O-CB 3.3Å; C377-T381 WeakPolarHBondContact O-CB 3.38Å; C377-T381 PolarHBondContact O-N 3.21Å; C377-T381 PolarHBondContact O-OG1 3.04Å; Q378-T381 PolarHBondContact O-N 3.04Å; F379-T381 VanDerWaalsContact C-N 3.3Å; F379-T381 PolarHBondContact O-N 3.47Å; T381-S384 PolarHBondContact O-N 2.95Å; T381-T385 HydrophobicContact CG2-CG2 4.27Å; T381-T385 WeakPolarHBondContact O-CB 3.21Å; T381-T385 WeakPolarHBondContact O-CG2 3.25Å; T381-T385 PolarHBondContact O-N 2.89Å; T381-T385 VanDerWaalsContact O-N 3.12Å; T381-T385 PolarHBondContact O-OG1 2.97Å
382	A	98.7	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.8	-56.6	172.4	0	0	0	0	0	111.8	L352 Q378 F379 L380 S384 T385 L386 F392	L352-A382 VanDerWaalsContact CD2-CA 3.41Å; L352-A382 HydrophobicContact CD2-CB 3.79Å; Q378-A382 PolarHBondContact O-N 3.36Å; F379-A382 VanDerWaalsContact O-CB 3.3Å; F379-A382 WeakPolarHBondContact O-CB 3.29Å; F379-A382 PolarHBondContact O-N 3.44Å; F379-A382 VanDerWaalsContact O-N 3.13Å; L380-A382 VanDerWaalsContact C-N 3.31Å; L380-A382 PolarHBondContact O-N 2.99Å; A382-S384 PolarHBondContact O-N 3.31Å; A382-S384 VanDerWaalsContact O-N 3.12Å; A382-T385 PolarHBondContact O-N 2.89Å; A382-T385 VanDerWaalsContact O-N 3.14Å; A382-L386 HydrophobicContact CB-CD1 3.99Å; A382-L386 WeakPolarHBondContact O-CB 3.31Å; A382-L386 VanDerWaalsContact O-CG 3.25Å; A382-L386 WeakPolarHBondContact O-CG 3.06Å; A382-L386 PolarHBondContact O-N 2.89Å; A382-F392 HydrophobicContact CB-CB 4.45Å; A382-F392 HydrophobicContact CB-CD1 3.83Å; A382-F392 HydrophobicContact CB-CD2 3.55Å; A382-F392 HydrophobicContact CB-CE1 3.82Å; A382-F392 HydrophobicContact CB-CE2 3.57Å; A382-F392 HydrophobicContact CB-CG 3.69Å; A382-F392 HydrophobicContact CB-CZ 3.67Å
383	L	98.5	Very high	98.2	Very high	10 Å²	10	10.6 Å²	10.6	5%	0.052	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-21.3	178.3	-59.6	-177.7	0	0	0	113	F379 L380 L411 C414 F415 L440 V447 R448 M451	F379-L383 PolarHBondContact O-N 3.07Å; F379-L383 VanDerWaalsContact O-N 3.1Å; L380-L383 PolarHBondContact O-N 3.44Å; L383-L411 HydrophobicContact CD2-CD2 4.44Å; L383-C414 HydrophobicContact CD2-CB 3.98Å; L383-F415 HydrophobicContact CD2-CE2 3.88Å; L383-L440 HydrophobicContact CD2-CD1 3.62Å; L383-V447 HydrophobicContact CD1-CB 4.46Å; L383-V447 HydrophobicContact CD1-CG1 3.82Å; L383-R448 HydrophobicContact CB-CB 4.14Å; L383-R448 HydrophobicContact CB-CG 4.35Å; L383-M451 HydrophobicContact CD1-CE 4.07Å; L383-M451 HydrophobicContact CD1-SD 3.83Å
384	S	98.3	Very high	98.2	Very high	6 Å²	6	9.3 Å²	9.3	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-82.4	-27.8	177.5	-65.4	0	0	0	0	114.5	R337 L380 T381 A382 R448	R337-S384 WeakPolarHBondContact CG-O 3.31Å; R337-S384 PolarHBondContact NE-O 3.34Å; L380-S384 WeakPolarHBondContact O-CB 3.44Å; L380-S384 PolarHBondContact O-N 2.74Å; L380-S384 PolarHBondContact O-OG 3.47Å; T381-S384 PolarHBondContact O-N 2.95Å; A382-S384 PolarHBondContact O-N 3.31Å; A382-S384 VanDerWaalsContact O-N 3.12Å; S384-R448 WeakPolarHBondContact OG-CD 3.35Å
385	T	98.5	Very high	98.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-120.3	-18.9	-165.4	57.6	0	0	0	0	115.2	F336 R337 V340 G348 L349 T381 A382	F336-T385 HydrophobicContact CD1-CG2 4.04Å; F336-T385 HydrophobicContact CE1-CG2 4.17Å; R337-T385 HydrophobicContact CB-CG2 4.42Å; V340-T385 HydrophobicContact CB-CG2 4.44Å; V340-T385 HydrophobicContact CG1-CG2 4.44Å; V340-T385 HydrophobicContact CG2-CG2 4.45Å; G348-T385 CarbonylContact C-O 3.49Å; G348-T385 VanDerWaalsContact CA-O 3.26Å; G348-T385 WeakPolarHBondContact CA-O 3.23Å; L349-T385 PolarHBondContact N-O 3.12Å; T381-T385 HydrophobicContact CG2-CG2 4.27Å; T381-T385 WeakPolarHBondContact O-CB 3.21Å; T381-T385 WeakPolarHBondContact O-CG2 3.25Å; T381-T385 PolarHBondContact O-N 2.89Å; T381-T385 VanDerWaalsContact O-N 3.12Å; T381-T385 PolarHBondContact O-OG1 2.97Å; A382-T385 PolarHBondContact O-N 2.89Å; A382-T385 VanDerWaalsContact O-N 3.14Å
386	L	98.4	Very high	98.2	Very high	11 Å²	11	9 Å²	9	6%	0.058	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	150.7	-179.4	-73.3	171.5	0	0	0	113.1	L349 L352 A382 H391 F392 F415 L440	L349-L386 HydrophobicContact CB-CD2 4.3Å; L352-L386 HydrophobicContact CB-CD2 4.12Å; L352-L386 HydrophobicContact CB-CG 4.42Å; A382-L386 HydrophobicContact CB-CD1 3.99Å; A382-L386 WeakPolarHBondContact O-CB 3.31Å; A382-L386 VanDerWaalsContact O-CG 3.25Å; A382-L386 WeakPolarHBondContact O-CG 3.06Å; A382-L386 PolarHBondContact O-N 2.89Å; L386-H391 VanDerWaalsContact CD2-O 3.26Å; L386-H391 WeakPolarHBondContact CD2-O 3.35Å; L386-F392 HydrophobicContact CD1-CB 4.15Å; L386-F415 HydrophobicContact CD1-CE1 4.17Å; L386-F415 HydrophobicContact CD1-CZ 3.78Å; L386-L440 HydrophobicContact CB-CD2 3.6Å; L386-L440 HydrophobicContact CD1-CD2 4.48Å
387	R	96.5	Very high	98	Very high	11 Å²	11	9.7 Å²	9.7	4%	0.042	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	156.3	164.4	74.4	-174.7	50.9	-163.1	-10.9	110.9	E260 R347 G348 L349 H350 G389 G390	E260-R387 IonicContact OE1-NH1 2.78Å; E260-R387 PolarHBondContact OE1-NH1 2.87Å; R347-R387 VanDerWaalsContact O-CA 3.23Å; R347-R387 WeakPolarHBondContact O-CA 3.27Å; R347-R387 WeakPolarHBondContact O-CB 3.42Å; G348-R387 PolarHBondContact O-NE 2.92Å; G348-R387 VanDerWaalsContact O-NE 3.08Å; G348-R387 PolarHBondContact O-NH2 3.11Å; L349-R387 VanDerWaalsContact O-CG 3.24Å; L349-R387 WeakPolarHBondContact O-CG 3.36Å; L349-R387 PolarHBondContact O-N 2.87Å; H350-R387 VanDerWaalsContact CE1-CZ 3.45Å; H350-R387 PolarHBondContact CE1-NH1 2.69Å; H350-R387 VanDerWaalsContact CE1-NH1 3.26Å; H350-R387 PolarHBondContact NE2-NH1 3.47Å; R387-G389 PolarHBondContact O-N 3.28Å; R387-G390 WeakPolarHBondContact O-CA 3.32Å; R387-G390 PolarHBondContact O-N 3.21Å
388	T	95.3	Very high	98	Very high	96 Å²	96	9.8 Å²	9.8	59%	0.589	6%	0.059	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	133.6	165.5	-48.9	0	0	0	0	110.2	G390 P442	T388-G390 PolarHBondContact O-N 3.25Å; T388-P442 HydrophobicContact CG2-CB 4.2Å
389	G	95.8	Very high	97.9	Very high	22 Å²	22	9.7 Å²	9.7	23%	0.227	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-0.6	-170.2	0	0	0	0	0	114.6	R387 H391 L440	R387-G389 PolarHBondContact O-N 3.28Å; G389-H391 PolarHBondContact O-CE1 2.99Å; G389-H391 PolarHBondContact O-ND1 2.84Å; G389-H391 VanDerWaalsContact O-ND1 3.14Å; G389-L440 PolarHBondContact N-O 3.06Å
390	G	97.4	Very high	97.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	169.3	176.5	0	0	0	0	0	113.3	H350 R387 T388 G439 L440	H350-G390 CarbonylContact O-C 3.6Å; H350-G390 WeakPolarHBondContact O-CA 3.47Å; R387-G390 WeakPolarHBondContact O-CA 3.32Å; R387-G390 PolarHBondContact O-N 3.21Å; T388-G390 PolarHBondContact O-N 3.25Å; G390-G439 CarbonylContact O-C 3.55Å; G390-G439 WeakPolarHBondContact O-CA 3.27Å; G390-G439 PolarHBondContact O-N 3.39Å; G390-G439 VanDerWaalsContact O-N 3.09Å; G390-L440 PolarHBondContact O-N 3.31Å
391	H	98.6	Very high	97.9	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.014	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.2	-174.6	-52	-12.6	0	0	0	111.3	M241 F242 H350 F351 L352 L386 G389 C437 G439	M241-H391 HydrophobicContact CE-CB 4.38Å; M241-H391 PolarHBondContact O-CD2 2.99Å; M241-H391 VanDerWaalsContact O-CD2 3.28Å; F242-H391 HydrophobicContact CE1-CB 4.38Å; H350-H391 PolarHBondContact O-N 3.49Å; F351-H391 CarbonylContact C-O 3.55Å; F351-H391 WeakPolarHBondContact CA-O 3.3Å; F351-H391 HydrophobicContact CB-CB 4.06Å; F351-H391 VanDerWaalsContact CB-O 3.26Å; F351-H391 WeakPolarHBondContact CB-O 3.32Å; L352-H391 PolarHBondContact N-O 3.34Å; L352-H391 VanDerWaalsContact N-O 3.1Å; L386-H391 VanDerWaalsContact CD2-O 3.26Å; L386-H391 WeakPolarHBondContact CD2-O 3.35Å; G389-H391 PolarHBondContact O-CE1 2.99Å; G389-H391 PolarHBondContact O-ND1 2.84Å; G389-H391 VanDerWaalsContact O-ND1 3.14Å; H391-C437 CarbonylContact C-O 3.55Å; H391-C437 WeakPolarHBondContact CA-O 3.3Å; H391-G439 PolarHBondContact ND1-N 3Å
392	F	98.9	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.8	-178.7	-177.2	-138.6	0	0	0	110.8	L352 A354 F379 A382 L386 C394 L411 F415 C437	L352-F392 HydrophobicContact CB-CD2 4Å; L352-F392 HydrophobicContact CB-CE2 4.44Å; L352-F392 HydrophobicContact CD2-CD2 4.25Å; L352-F392 HydrophobicContact CD2-CE2 3.91Å; L352-F392 HydrophobicContact CG-CD2 4.31Å; L352-F392 HydrophobicContact CG-CE2 4.25Å; L352-F392 WeakPolarHBondContact O-CA 3.24Å; L352-F392 WeakPolarHBondContact O-CD2 2.97Å; A354-F392 HydrophobicContact CB-CE2 4.08Å; A354-F392 HydrophobicContact CB-CZ 4.47Å; F379-F392 AromaticContact CD1-CE1 3.61Å; F379-F392 HydrophobicContact CD1-CE1 3.61Å; F379-F392 AromaticContact CD1-CZ 3.93Å; F379-F392 HydrophobicContact CD1-CZ 3.93Å; F379-F392 HydrophobicContact CE1-CE1 4.07Å; F379-F392 HydrophobicContact CG-CE1 4.27Å; A382-F392 HydrophobicContact CB-CB 4.45Å; A382-F392 HydrophobicContact CB-CD1 3.83Å; A382-F392 HydrophobicContact CB-CD2 3.55Å; A382-F392 HydrophobicContact CB-CE1 3.82Å; A382-F392 HydrophobicContact CB-CE2 3.57Å; A382-F392 HydrophobicContact CB-CG 3.69Å; A382-F392 HydrophobicContact CB-CZ 3.67Å; L386-F392 HydrophobicContact CD1-CB 4.15Å; F392-C394 HydrophobicContact CE1-CB 3.76Å; F392-C394 HydrophobicContact CE2-CB 4.01Å; F392-C394 HydrophobicContact CZ-CB 3.44Å; F392-C394 VanDerWaalsContact CZ-CB 3.44Å; F392-L411 HydrophobicContact CD1-CD1 4.07Å; F392-L411 HydrophobicContact CE1-CD1 3.97Å; F392-F415 HydrophobicContact CB-CE1 4.16Å; F392-F415 HydrophobicContact CB-CZ 3.88Å; F392-C437 HydrophobicContact CB-CB 4.08Å; F392-C437 PolarHBondContact N-O 2.94Å; F392-C437 PolarHBondContact O-N 3.25Å
393	V	98.9	Very high	97.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128.8	166.2	54.7	0	0	0	0	109.1	M231 I234 F242 L352 M353 A354 Y434 I435 V436	M231-V393 HydrophobicContact CE-CG1 3.96Å; M231-V393 HydrophobicContact SD-CG1 3.93Å; I234-V393 HydrophobicContact CD1-CG2 4.31Å; I234-V393 HydrophobicContact CG2-CG2 4.42Å; F242-V393 HydrophobicContact CD1-CG1 4.3Å; F242-V393 HydrophobicContact CE1-CB 3.86Å; F242-V393 HydrophobicContact CE1-CG1 3.61Å; F242-V393 HydrophobicContact CZ-CB 3.8Å; F242-V393 HydrophobicContact CZ-CG1 3.91Å; L352-V393 PolarHBondContact O-N 3.09Å; L352-V393 VanDerWaalsContact O-N 3.1Å; M353-V393 CarbonylContact C-O 3.43Å; M353-V393 WeakPolarHBondContact CA-O 3.23Å; M353-V393 HydrophobicContact CB-CG1 3.93Å; M353-V393 HydrophobicContact CG-CG1 3.76Å; A354-V393 PolarHBondContact N-O 3.08Å; V393-Y434 HydrophobicContact CG2-CD1 3.84Å; V393-Y434 HydrophobicContact CG2-CG 4.4Å; V393-I435 WeakPolarHBondContact CA-O 3.27Å; V393-V436 HydrophobicContact CB-CG2 4.48Å; V393-V436 HydrophobicContact CG2-CG2 4.02Å
394	C	98.8	Very high	97.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.1	179.9	-168	0	0	0	0	110.6	A354 F379 F392 Y434 I435	A354-C394 HydrophobicContact CB-CB 4.23Å; A354-C394 CarbonylContact O-C 3.44Å; A354-C394 WeakPolarHBondContact O-CA 3.48Å; F379-C394 HydrophobicContact CD1-CB 4.37Å; F379-C394 HydrophobicContact CE1-CB 3.91Å; F392-C394 HydrophobicContact CE1-CB 3.76Å; F392-C394 HydrophobicContact CE2-CB 4.01Å; F392-C394 HydrophobicContact CZ-CB 3.44Å; F392-C394 VanDerWaalsContact CZ-CB 3.44Å; C394-Y434 CarbonylContact O-C 3.26Å; C394-Y434 VanDerWaalsContact O-CA 3.29Å; C394-Y434 WeakPolarHBondContact O-CA 3.25Å; C394-I435 HydrophobicContact CB-CG2 3.72Å; C394-I435 PolarHBondContact N-O 3.18Å; C394-I435 PolarHBondContact O-N 2.75Å
395	K	98.4	Very high	97.9	Very high	20 Å²	20	10.4 Å²	10.4	9%	0.087	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.8	163.6	-179.7	166.3	59.2	-147.4	0	109.8	A354 D355 G356 F397 E432 Y434	A354-K395 PolarHBondContact O-N 3.33Å; D355-K395 WeakPolarHBondContact O-CE 3.41Å; D355-K395 PolarHBondContact O-NZ 3.28Å; D355-K395 WeakPolarHBondContact OD1-CB 3.17Å; D355-K395 WeakPolarHBondContact OD1-CD 3.4Å; D355-K395 VanDerWaalsContact OD1-CE 3.29Å; D355-K395 WeakPolarHBondContact OD1-CE 3.46Å; D355-K395 IonicContact OD1-NZ 2.71Å; D355-K395 PolarHBondContact OD1-NZ 3.35Å; D355-K395 IonicContact OD2-NZ 3.86Å; D355-K395 PolarHBondContact OD2-NZ 2.9Å; G356-K395 WeakPolarHBondContact O-CE 3.49Å; K395-F397 HydrophobicContact CD-CE1 4.34Å; K395-F397 HydrophobicContact CD-CZ 4.19Å; K395-E432 HydrophobicContact CD-CG 3.74Å; K395-E432 WeakPolarHBondContact CD-OE2 3.38Å; K395-E432 HydrophobicContact CG-CG 4.02Å; K395-Y434 HydrophobicContact CB-CD1 4.13Å; K395-Y434 HydrophobicContact CB-CE1 3.58Å; K395-Y434 HydrophobicContact CG-CE1 4.34Å
396	T	97.4	Very high	97.9	Very high	6 Å²	6	10.4 Å²	10.4	4%	0.037	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	176.9	162.9	-168.9	0	0	0	0	109	L399 E432 R433	T396-L399 HydrophobicContact CG2-CD1 4Å; T396-L399 HydrophobicContact CG2-CD2 4.07Å; T396-L399 HydrophobicContact CG2-CG 4.13Å; T396-L399 WeakPolarHBondContact OG1-CD2 3.26Å; T396-E432 WeakPolarHBondContact O-CA 3.31Å; T396-R433 HydrophobicContact CG2-CG 3.61Å; T396-R433 PolarHBondContact N-O 2.84Å; T396-R433 PolarHBondContact O-N 3.48Å
397	F	95.9	Very high	98	Very high	14 Å²	14	10 Å²	10	6%	0.061	6%	0.061	C	C	.	.			trans	-113.7	-129	179.7	-61.6	-73.6	0	0	0	109.9	Q367 T371 K395 S431 R433	Q367-F397 HydrophobicContact CG-CB 4.48Å; Q367-F397 HydrophobicContact CG-CD1 4.32Å; Q367-F397 HydrophobicContact CG-CD2 3.85Å; Q367-F397 HydrophobicContact CG-CE2 4.13Å; Q367-F397 HydrophobicContact CG-CG 3.95Å; Q367-F397 HydrophobicContact CG-CZ 4.47Å; T371-F397 HydrophobicContact CG2-CD2 4.4Å; T371-F397 HydrophobicContact CG2-CE2 4.11Å; K395-F397 HydrophobicContact CD-CE1 4.34Å; K395-F397 HydrophobicContact CD-CZ 4.19Å; F397-S431 CarbonylContact C-O 3.5Å; F397-S431 VanDerWaalsContact CA-O 3.23Å; F397-S431 WeakPolarHBondContact CA-O 3.36Å; F397-S431 VanDerWaalsContact O-O 3.11Å; F397-R433 PolarHBondContact O-NE 2.93Å
398	D	97.6	Very high	98.1	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.016	6%	0.059	C	C	.	.			trans	-64.8	156.5	165.9	-64.7	-33.4	0	0	0	110	K194 E368 F400 S431	K194-D398 IonicContact NZ-OD1 2.67Å; K194-D398 IonicContact NZ-OD2 3.75Å; K194-D398 PolarHBondContact NZ-OD2 3.1Å; E368-D398 HydrophobicContact CB-CB 4.34Å; E368-D398 VanDerWaalsContact CD-O 3.24Å; E368-D398 WeakPolarHBondContact CG-O 3.35Å; D398-F400 HydrophobicContact CB-CD2 3.67Å; D398-F400 HydrophobicContact CB-CE2 3.55Å; D398-F400 HydrophobicContact CB-CZ 4.33Å; D398-F400 VanDerWaalsContact CG-CE2 3.49Å; D398-S431 WeakPolarHBondContact OD1-CB 3.26Å; D398-S431 PolarHBondContact OD1-OG 3.24Å; D398-S431 PolarHBondContact OD2-OG 2.69Å
399	L	98.4	Very high	98.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.033	C	C	.	.			trans	-138.7	48.2	-176.5	-68.4	174.3	0	0	0	109.1	E368 L375 T396 V405 V408 L420 M487 N491	E368-L399 PolarHBondContact OE2-N 2.85Å; L375-L399 HydrophobicContact CD2-CD2 4.49Å; T396-L399 HydrophobicContact CG2-CD1 4Å; T396-L399 HydrophobicContact CG2-CD2 4.07Å; T396-L399 HydrophobicContact CG2-CG 4.13Å; T396-L399 WeakPolarHBondContact OG1-CD2 3.26Å; L399-V405 VanDerWaalsContact O-CG2 3.22Å; L399-V405 WeakPolarHBondContact O-CG2 3.33Å; L399-V408 HydrophobicContact CD1-CG2 4.27Å; L399-V408 HydrophobicContact CD2-CG2 4.23Å; L399-L420 HydrophobicContact CD1-CD1 3.68Å; L399-L420 HydrophobicContact CD1-CD2 3.59Å; L399-L420 HydrophobicContact CD1-CG 4.3Å; L399-M487 HydrophobicContact CB-CE 4.2Å; L399-M487 HydrophobicContact CD1-CE 4.37Å; L399-N491 PolarHBondContact O-ND2 3.09Å
400	F	98.4	Very high	98.4	Very high	1 Å²	1	4.2 Å²	4.2	0%	0.004	2%	0.022	C	C	.	.			trans	-88.4	-30.4	-178.2	-58.7	-52	0	0	0	112.3	I175 E178 C182 L187 L190 E368 D398 N491 C495	I175-F400 HydrophobicContact CD1-CD2 4.46Å; I175-F400 HydrophobicContact CG1-CD2 4.26Å; E178-F400 HydrophobicContact CB-CB 3.83Å; C182-F400 HydrophobicContact CB-CD1 3.67Å; C182-F400 HydrophobicContact CB-CE1 3.74Å; L187-F400 HydrophobicContact CD1-CD1 4.49Å; L187-F400 HydrophobicContact CD1-CD2 3.77Å; L187-F400 HydrophobicContact CD1-CE1 4.35Å; L187-F400 HydrophobicContact CD1-CE2 3.6Å; L187-F400 HydrophobicContact CD1-CG 4.23Å; L187-F400 HydrophobicContact CD1-CZ 3.92Å; L190-F400 HydrophobicContact CD2-CE2 4.46Å; L190-F400 HydrophobicContact CD2-CZ 4.12Å; E368-F400 PolarHBondContact OE1-N 2.97Å; E368-F400 PolarHBondContact OE2-N 2.88Å; D398-F400 HydrophobicContact CB-CD2 3.67Å; D398-F400 HydrophobicContact CB-CE2 3.55Å; D398-F400 HydrophobicContact CB-CZ 4.33Å; D398-F400 VanDerWaalsContact CG-CE2 3.49Å; F400-N491 HydrophobicContact CE1-CB 4.19Å; F400-C495 VanDerWaalsContact CZ-SG 3.59Å
401	T	98.5	Very high	98.4	Very high	12 Å²	12	4.2 Å²	4.2	7%	0.074	2%	0.022	C	C	.	.	S	Bend	trans	-76.6	142.7	-174.7	67.6	0	0	0	0	112.2	I175 E178 E368 I369 F403 S404 V405	I175-T401 HydrophobicContact CD1-CG2 4.13Å; E178-T401 HydrophobicContact CG-CG2 3.95Å; E368-T401 HydrophobicContact CG-CG2 4.43Å; E368-T401 VanDerWaalsContact OE1-CB 3.31Å; E368-T401 WeakPolarHBondContact OE1-CB 3.08Å; E368-T401 WeakPolarHBondContact OE1-CG2 3.09Å; E368-T401 PolarHBondContact OE1-N 2.95Å; E368-T401 PolarHBondContact OE1-OG1 3.34Å; I369-T401 HydrophobicContact CG1-CG2 4.2Å; T401-F403 PolarHBondContact O-N 2.71Å; T401-F403 VanDerWaalsContact O-N 3.13Å; T401-S404 PolarHBondContact O-N 2.84Å; T401-S404 VanDerWaalsContact O-N 3.08Å; T401-S404 PolarHBondContact OG1-N 3.23Å; T401-S404 PolarHBondContact OG1-OG 2.77Å; T401-S404 VanDerWaalsContact OG1-OG 3.07Å; T401-V405 PolarHBondContact O-N 3.33Å
402	P	98.4	Very high	98.4	Very high	17 Å²	17	4.4 Å²	4.4	11%	0.11	2%	0.023	C	C	.	.	H	α-helix	trans	-53.4	-30.7	170.5	-29.7	36.5	0	0	0	114.2	E178 E180 F181 G406 E470	E178-P402 VanDerWaalsContact OE2-CD 3.22Å; E178-P402 WeakPolarHBondContact OE2-CD 3.26Å; E180-P402 HydrophobicContact CG-CG 4.42Å; F181-P402 HydrophobicContact CE2-CG 4.36Å; P402-G406 PolarHBondContact O-N 3.39Å; P402-E470 HydrophobicContact CB-CG 3.78Å
403	F	98.6	Very high	98.3	Very high	2 Å²	2	4.5 Å²	4.5	1%	0.009	2%	0.023	C	C	.	.	H	α-helix	trans	-60.2	-53.9	173	-175.8	-87.1	0	0	0	112.1	K372 L376 T401 G406 L407 L458 V468 T469 V471	K372-F403 HydrophobicContact CB-CD1 3.8Å; K372-F403 HydrophobicContact CB-CE1 3.59Å; K372-F403 HydrophobicContact CB-CZ 4.37Å; K372-F403 HydrophobicContact CG-CE1 4.17Å; K372-F403 HydrophobicContact CG-CZ 4.48Å; K372-F403 WeakPolarHBondContact O-CE1 3.3Å; L376-F403 HydrophobicContact CB-CZ 4.45Å; L376-F403 HydrophobicContact CD1-CZ 3.85Å; T401-F403 PolarHBondContact O-N 2.71Å; T401-F403 VanDerWaalsContact O-N 3.13Å; F403-G406 PolarHBondContact O-N 3.1Å; F403-L407 HydrophobicContact CD1-CD1 4.01Å; F403-L407 HydrophobicContact CE1-CD1 3.47Å; F403-L407 VanDerWaalsContact CE1-CD1 3.47Å; F403-L407 HydrophobicContact CE1-CG 4.23Å; F403-L407 HydrophobicContact CZ-CD1 4.16Å; F403-L407 PolarHBondContact O-N 3.17Å; F403-L407 VanDerWaalsContact O-N 3.09Å; F403-L458 HydrophobicContact CE2-CD1 4.49Å; F403-L458 HydrophobicContact CZ-CD1 4.1Å; F403-V468 HydrophobicContact CD2-CG1 4.24Å; F403-V468 WeakPolarHBondContact CD2-O 3.35Å; F403-V468 HydrophobicContact CE2-CB 4.2Å; F403-V468 HydrophobicContact CE2-CG1 4Å; F403-T469 WeakPolarHBondContact CB-O 3.43Å; F403-T469 PolarHBondContact N-O 3.25Å; F403-V471 HydrophobicContact CD2-CG1 3.84Å; F403-V471 HydrophobicContact CE2-CG1 3.56Å; F403-V471 HydrophobicContact CZ-CG1 4.23Å
404	S	98.8	Very high	98.2	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.007	2%	0.023	C	C	.	.	H	α-helix	trans	-67.3	-41	-177.4	-60	0	0	0	0	111.8	E368 T401 L407 V408	E368-S404 WeakPolarHBondContact CG-OG 3.29Å; E368-S404 WeakPolarHBondContact OE1-CB 3.39Å; E368-S404 PolarHBondContact OE1-OG 3.19Å; T401-S404 PolarHBondContact O-N 2.84Å; T401-S404 VanDerWaalsContact O-N 3.08Å; T401-S404 PolarHBondContact OG1-N 3.23Å; T401-S404 PolarHBondContact OG1-OG 2.77Å; T401-S404 VanDerWaalsContact OG1-OG 3.07Å; S404-L407 WeakPolarHBondContact O-CB 3.38Å; S404-L407 PolarHBondContact O-N 2.81Å; S404-V408 WeakPolarHBondContact O-CG2 3.32Å; S404-V408 PolarHBondContact O-N 3.36Å; S404-V408 VanDerWaalsContact O-N 3.11Å
405	V	98.8	Very high	98.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-69.4	-37.5	178.4	-175.7	0	0	0	0	111.5	F181 L399 T401 L407 V408 Y409 I477 F483 M487	F181-V405 HydrophobicContact CB-CG2 4.4Å; F181-V405 HydrophobicContact CD1-CB 4.48Å; F181-V405 HydrophobicContact CD1-CG1 3.94Å; F181-V405 HydrophobicContact CD1-CG2 4.27Å; F181-V405 HydrophobicContact CD2-CB 4.15Å; F181-V405 HydrophobicContact CD2-CG1 4.47Å; F181-V405 HydrophobicContact CD2-CG2 3.67Å; F181-V405 HydrophobicContact CE1-CB 4.21Å; F181-V405 HydrophobicContact CE1-CG1 3.57Å; F181-V405 HydrophobicContact CE1-CG2 4.47Å; F181-V405 HydrophobicContact CE2-CB 3.88Å; F181-V405 HydrophobicContact CE2-CG1 4.17Å; F181-V405 HydrophobicContact CE2-CG2 3.93Å; F181-V405 HydrophobicContact CG-CB 4.45Å; F181-V405 HydrophobicContact CG-CG1 4.37Å; F181-V405 HydrophobicContact CG-CG2 3.86Å; F181-V405 HydrophobicContact CZ-CB 3.9Å; F181-V405 HydrophobicContact CZ-CG1 3.7Å; F181-V405 HydrophobicContact CZ-CG2 4.31Å; L399-V405 VanDerWaalsContact O-CG2 3.22Å; L399-V405 WeakPolarHBondContact O-CG2 3.33Å; T401-V405 PolarHBondContact O-N 3.33Å; V405-L407 VanDerWaalsContact C-N 3.3Å; V405-L407 PolarHBondContact O-N 2.84Å; V405-V408 WeakPolarHBondContact O-CB 3.29Å; V405-V408 PolarHBondContact O-N 3.22Å; V405-V408 VanDerWaalsContact O-N 3.1Å; V405-Y409 PolarHBondContact O-N 2.89Å; V405-I477 HydrophobicContact CG1-CG2 4.25Å; V405-F483 HydrophobicContact CG1-CE1 3.81Å; V405-F483 HydrophobicContact CG1-CZ 4.17Å; V405-M487 HydrophobicContact CB-CE 4.42Å; V405-M487 HydrophobicContact CG1-CB 4.46Å; V405-M487 HydrophobicContact CG1-CE 3.98Å; V405-M487 HydrophobicContact CG1-CG 3.79Å; V405-M487 HydrophobicContact CG1-SD 4.13Å; V405-M487 HydrophobicContact CG2-CE 3.73Å
406	G	98.8	Very high	98.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.7	-38.1	171	0	0	0	0	0	112.8	P402 F403 Y409 L410 V472	P402-G406 PolarHBondContact O-N 3.39Å; F403-G406 PolarHBondContact O-N 3.1Å; G406-Y409 PolarHBondContact O-N 3.09Å; G406-L410 WeakPolarHBondContact O-CG 3.42Å; G406-L410 PolarHBondContact O-N 3.31Å; G406-V472 WeakPolarHBondContact O-CG2 3.41Å
407	L	98.8	Very high	98	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-64.8	-38.8	172.4	-72.7	176.8	0	0	0	112.7	L375 L376 F379 F403 S404 V405 L410 L411 M451 V471	L375-L407 HydrophobicContact CB-CD1 4.48Å; L375-L407 HydrophobicContact CD2-CD1 4.16Å; L375-L407 HydrophobicContact CG-CD1 4.2Å; L376-L407 HydrophobicContact CB-CD1 3.91Å; L376-L407 HydrophobicContact CB-CD2 4.24Å; L376-L407 HydrophobicContact CD1-CD2 4.03Å; L376-L407 HydrophobicContact CG-CD2 4.03Å; F379-L407 HydrophobicContact CD2-CB 3.85Å; F379-L407 HydrophobicContact CE2-CB 3.71Å; F403-L407 HydrophobicContact CD1-CD1 4.01Å; F403-L407 HydrophobicContact CE1-CD1 3.47Å; F403-L407 VanDerWaalsContact CE1-CD1 3.47Å; F403-L407 HydrophobicContact CE1-CG 4.23Å; F403-L407 HydrophobicContact CZ-CD1 4.16Å; F403-L407 PolarHBondContact O-N 3.17Å; F403-L407 VanDerWaalsContact O-N 3.09Å; S404-L407 WeakPolarHBondContact O-CB 3.38Å; S404-L407 PolarHBondContact O-N 2.81Å; V405-L407 VanDerWaalsContact C-N 3.3Å; V405-L407 PolarHBondContact O-N 2.84Å; L407-L410 HydrophobicContact CD2-CD1 4.47Å; L407-L410 PolarHBondContact O-N 2.83Å; L407-L411 PolarHBondContact O-N 3.41Å; L407-M451 HydrophobicContact CD2-CE 4.27Å; L407-V471 HydrophobicContact CD2-CG2 4.04Å; L407-V471 HydrophobicContact CG-CG2 3.99Å
408	V	98.8	Very high	98.1	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-65	-41	174.3	173.9	0	0	0	0	110.8	F149 L399 S404 V405 L410 L411 Y412 I418 I435 F483 M487	F149-V408 HydrophobicContact CZ-CG1 4.15Å; L399-V408 HydrophobicContact CD1-CG2 4.27Å; L399-V408 HydrophobicContact CD2-CG2 4.23Å; S404-V408 WeakPolarHBondContact O-CG2 3.32Å; S404-V408 PolarHBondContact O-N 3.36Å; S404-V408 VanDerWaalsContact O-N 3.11Å; V405-V408 WeakPolarHBondContact O-CB 3.29Å; V405-V408 PolarHBondContact O-N 3.22Å; V405-V408 VanDerWaalsContact O-N 3.1Å; V408-L410 PolarHBondContact O-N 2.82Å; V408-L411 PolarHBondContact O-N 2.93Å; V408-L411 VanDerWaalsContact O-N 3.1Å; V408-Y412 PolarHBondContact O-N 2.97Å; V408-I418 HydrophobicContact CG1-CD1 3.82Å; V408-I435 HydrophobicContact CB-CD1 4.24Å; V408-I435 HydrophobicContact CG1-CD1 3.77Å; V408-I435 HydrophobicContact CG2-CD1 3.92Å; V408-F483 HydrophobicContact CB-CZ 4.34Å; V408-F483 HydrophobicContact CG1-CE2 4.02Å; V408-F483 HydrophobicContact CG1-CZ 3.93Å; V408-M487 HydrophobicContact CG1-SD 3.95Å
409	Y	98.6	Very high	98.2	Very high	8 Å²	8	9.9 Å²	9.9	3%	0.031	5%	0.048	C	C	.	.	H	α-helix	trans	-62.1	-41.2	175.5	-170.1	-109.7	0	0	0	112.1	V405 G406 L411 Y412 L413 V472 I476 D480 F483	V405-Y409 PolarHBondContact O-N 2.89Å; G406-Y409 PolarHBondContact O-N 3.09Å; Y409-L411 VanDerWaalsContact C-N 3.26Å; Y409-L411 PolarHBondContact O-N 3.08Å; Y409-Y412 AromaticContact CD2-CD1 3.91Å; Y409-Y412 HydrophobicContact CD2-CD1 3.91Å; Y409-Y412 HydrophobicContact CD2-CE1 4.49Å; Y409-Y412 AromaticContact CE2-CD1 3.85Å; Y409-Y412 HydrophobicContact CE2-CD1 3.85Å; Y409-Y412 HydrophobicContact CE2-CE1 4.05Å; Y409-Y412 WeakPolarHBondContact O-CB 3.16Å; Y409-Y412 PolarHBondContact O-N 3.17Å; Y409-Y412 VanDerWaalsContact O-N 3.12Å; Y409-L413 HydrophobicContact CD1-CD1 3.82Å; Y409-L413 HydrophobicContact CD1-CG 4.32Å; Y409-L413 HydrophobicContact CE1-CD1 3.7Å; Y409-L413 HydrophobicContact CE1-CD2 4.27Å; Y409-L413 HydrophobicContact CE1-CG 4.15Å; Y409-L413 WeakPolarHBondContact O-CG 3.47Å; Y409-L413 PolarHBondContact O-N 3.22Å; Y409-V472 HydrophobicContact CD1-CG1 3.84Å; Y409-V472 HydrophobicContact CD1-CG2 4.17Å; Y409-V472 HydrophobicContact CE1-CG1 4.19Å; Y409-I476 HydrophobicContact CE1-CG2 3.93Å; Y409-D480 HydrophobicContact CE2-CB 4.09Å; Y409-F483 HydrophobicContact CD2-CB 4.42Å; Y409-F483 AromaticContact CD2-CD1 3.63Å; Y409-F483 HydrophobicContact CD2-CD1 3.63Å; Y409-F483 AromaticContact CD2-CD2 3.82Å; Y409-F483 HydrophobicContact CD2-CD2 3.82Å; Y409-F483 AromaticContact CD2-CE1 3.75Å; Y409-F483 HydrophobicContact CD2-CE1 3.75Å; Y409-F483 AromaticContact CD2-CE2 3.94Å; Y409-F483 HydrophobicContact CD2-CE2 3.94Å; Y409-F483 AromaticContact CD2-CG 3.68Å; Y409-F483 HydrophobicContact CD2-CG 3.68Å; Y409-F483 AromaticContact CD2-CZ 3.91Å; Y409-F483 HydrophobicContact CD2-CZ 3.91Å; Y409-F483 HydrophobicContact CE2-CB 4.37Å; Y409-F483 HydrophobicContact CE2-CD1 4.25Å; Y409-F483 HydrophobicContact CE2-CD2 4.47Å; Y409-F483 HydrophobicContact CE2-CG 4.11Å; Y409-F483 HydrophobicContact CG-CE1 4.3Å; Y409-F483 HydrophobicContact CG-CZ 4.33Å
410	L	98.4	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.9	-30.4	173.3	-68.2	172.3	0	0	0	113.2	L162 W165 G406 L407 V408 L413 C414 V447 Y450 M451 V471 V472	L162-L410 HydrophobicContact CD2-CD2 4.24Å; W165-L410 HydrophobicContact CE3-CD2 4.23Å; W165-L410 HydrophobicContact CZ3-CD2 3.76Å; G406-L410 WeakPolarHBondContact O-CG 3.42Å; G406-L410 PolarHBondContact O-N 3.31Å; L407-L410 HydrophobicContact CD2-CD1 4.47Å; L407-L410 PolarHBondContact O-N 2.83Å; V408-L410 PolarHBondContact O-N 2.82Å; L410-L413 HydrophobicContact CD2-CD1 4.37Å; L410-C414 WeakPolarHBondContact O-CB 3.31Å; L410-C414 PolarHBondContact O-N 2.94Å; L410-C414 PolarHBondContact O-SG 2.82Å; L410-V447 HydrophobicContact CB-CG1 4.06Å; L410-V447 HydrophobicContact CD2-CG1 4.04Å; L410-V447 HydrophobicContact CG-CG1 4.45Å; L410-Y450 HydrophobicContact CD1-CD1 4.16Å; L410-Y450 HydrophobicContact CD1-CE1 4.04Å; L410-M451 HydrophobicContact CB-CE 3.5Å; L410-M451 VanDerWaalsContact CB-CE 3.5Å; L410-M451 HydrophobicContact CD1-CE 3.69Å; L410-M451 HydrophobicContact CD1-CG 4.38Å; L410-M451 HydrophobicContact CG-CE 4.24Å; L410-V471 HydrophobicContact CD1-CG2 4.29Å; L410-V472 HydrophobicContact CD1-CG2 4.31Å; L410-V472 HydrophobicContact CD2-CG2 4Å; L410-V472 HydrophobicContact CG-CG2 3.81Å
411	L	98.5	Very high	98.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-77	-35.8	171.9	-65	-171.4	0	0	0	112.7	F379 L383 F392 L407 V408 Y409 L413 C414 F415 I435	F379-L411 HydrophobicContact CB-CD2 4.28Å; F379-L411 HydrophobicContact CD1-CD1 3.98Å; F379-L411 HydrophobicContact CD2-CD1 3.44Å; F379-L411 VanDerWaalsContact CD2-CD1 3.44Å; F379-L411 HydrophobicContact CD2-CD2 4.12Å; F379-L411 HydrophobicContact CD2-CG 3.63Å; F379-L411 HydrophobicContact CE1-CD1 3.94Å; F379-L411 HydrophobicContact CE2-CD1 3.39Å; F379-L411 HydrophobicContact CE2-CG 3.86Å; F379-L411 HydrophobicContact CG-CD1 3.74Å; F379-L411 HydrophobicContact CG-CD2 4.29Å; F379-L411 HydrophobicContact CG-CG 4.19Å; F379-L411 HydrophobicContact CZ-CD1 3.66Å; L383-L411 HydrophobicContact CD2-CD2 4.44Å; F392-L411 HydrophobicContact CD1-CD1 4.07Å; F392-L411 HydrophobicContact CE1-CD1 3.97Å; L407-L411 PolarHBondContact O-N 3.41Å; V408-L411 PolarHBondContact O-N 2.93Å; V408-L411 VanDerWaalsContact O-N 3.1Å; Y409-L411 VanDerWaalsContact C-N 3.26Å; Y409-L411 PolarHBondContact O-N 3.08Å; L411-L413 VanDerWaalsContact C-N 3.33Å; L411-C414 PolarHBondContact O-N 2.67Å; L411-F415 HydrophobicContact CB-CD2 4.5Å; L411-F415 HydrophobicContact CD2-CD2 4.46Å; L411-F415 HydrophobicContact CD2-CE2 4.05Å; L411-F415 WeakPolarHBondContact O-CD2 3.43Å; L411-F415 PolarHBondContact O-N 2.87Å; L411-I435 HydrophobicContact CD1-CD1 3.93Å; L411-I435 HydrophobicContact CD1-CG1 4.43Å
412	Y	98.3	Very high	98.2	Very high	7 Å²	7	12.7 Å²	12.7	3%	0.027	6%	0.06	C	C	.	.	H	α-helix	trans	-58.5	-43.4	172.9	170.4	-102.3	0	0	0	111.9	F149 P150 C152 V408 Y409 I418 D480 F483	F149-Y412 HydrophobicContact CB-CD2 4.14Å; F149-Y412 HydrophobicContact CB-CE2 4.12Å; F149-Y412 HydrophobicContact CD1-CD2 4.33Å; F149-Y412 HydrophobicContact CG-CD2 4.46Å; P150-Y412 WeakPolarHBondContact O-CE2 3.23Å; C152-Y412 WeakPolarHBondContact CA-OH 3.22Å; C152-Y412 HydrophobicContact CB-CD1 3.9Å; C152-Y412 HydrophobicContact CB-CD2 4.19Å; C152-Y412 HydrophobicContact CB-CE1 3.56Å; C152-Y412 HydrophobicContact CB-CE2 3.88Å; C152-Y412 HydrophobicContact CB-CG 4.2Å; C152-Y412 WeakPolarHBondContact CB-O 3.45Å; V408-Y412 PolarHBondContact O-N 2.97Å; Y409-Y412 AromaticContact CD2-CD1 3.91Å; Y409-Y412 HydrophobicContact CD2-CD1 3.91Å; Y409-Y412 HydrophobicContact CD2-CE1 4.49Å; Y409-Y412 AromaticContact CE2-CD1 3.85Å; Y409-Y412 HydrophobicContact CE2-CD1 3.85Å; Y409-Y412 HydrophobicContact CE2-CE1 4.05Å; Y409-Y412 WeakPolarHBondContact O-CB 3.16Å; Y409-Y412 PolarHBondContact O-N 3.17Å; Y409-Y412 VanDerWaalsContact O-N 3.12Å; Y412-I418 HydrophobicContact CD2-CD1 4.35Å; Y412-I418 HydrophobicContact CD2-CG1 4.1Å; Y412-D480 VanDerWaalsContact CE1-OD2 3.27Å; Y412-D480 WeakPolarHBondContact CE1-OD2 3.12Å; Y412-D480 PolarHBondContact OH-OD2 2.93Å; Y412-F483 AromaticContact CD1-CD2 3.85Å; Y412-F483 HydrophobicContact CD1-CD2 3.85Å; Y412-F483 HydrophobicContact CD1-CE2 4.44Å; Y412-F483 AromaticContact CD2-CD2 3.87Å; Y412-F483 HydrophobicContact CD2-CD2 3.87Å; Y412-F483 HydrophobicContact CD2-CE2 4.43Å; Y412-F483 HydrophobicContact CE1-CB 4.28Å; Y412-F483 HydrophobicContact CE1-CD2 4.2Å; Y412-F483 HydrophobicContact CE2-CD2 4.2Å; Y412-F483 AromaticContact CG-CD2 3.67Å; Y412-F483 HydrophobicContact CG-CD2 3.67Å; Y412-F483 HydrophobicContact CG-CE2 4.04Å
413	L	97.1	Very high	98.2	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-62.5	-44.2	173.4	-64.6	167.8	0	0	0	111.8	T154 P157 W165 Y409 L410 L411 K441	T154-L413 HydrophobicContact CG2-CD2 4.12Å; P157-L413 HydrophobicContact CG-CD1 4.03Å; W165-L413 HydrophobicContact CH2-CD1 4.16Å; W165-L413 HydrophobicContact CZ3-CD1 4.33Å; Y409-L413 HydrophobicContact CD1-CD1 3.82Å; Y409-L413 HydrophobicContact CD1-CG 4.32Å; Y409-L413 HydrophobicContact CE1-CD1 3.7Å; Y409-L413 HydrophobicContact CE1-CD2 4.27Å; Y409-L413 HydrophobicContact CE1-CG 4.15Å; Y409-L413 WeakPolarHBondContact O-CG 3.47Å; Y409-L413 PolarHBondContact O-N 3.22Å; L410-L413 HydrophobicContact CD2-CD1 4.37Å; L411-L413 VanDerWaalsContact C-N 3.33Å; L413-K441 VanDerWaalsContact O-CD 3.27Å; L413-K441 WeakPolarHBondContact O-CD 3.33Å; L413-K441 PolarHBondContact O-NZ 3.22Å
414	C	97.8	Very high	98.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-81.1	-16	-173.8	-73.4	0	0	0	0	116.4	L383 L410 L411 L440 K441	L383-C414 HydrophobicContact CD2-CB 3.98Å; L410-C414 WeakPolarHBondContact O-CB 3.31Å; L410-C414 PolarHBondContact O-N 2.94Å; L410-C414 PolarHBondContact O-SG 2.82Å; L411-C414 PolarHBondContact O-N 2.67Å; C414-L440 HydrophobicContact CB-CD1 4.34Å; C414-K441 VanDerWaalsContact O-CB 3.32Å; C414-K441 WeakPolarHBondContact O-CB 3.13Å; C414-K441 PolarHBondContact O-N 3.19Å
415	F	97.6	Very high	98	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	153.4	-177	-75.5	-100	0	0	0	112.4	L383 L386 F392 L411 R417 I418 C437 G439 L440 K441	L383-F415 HydrophobicContact CD2-CE2 3.88Å; L386-F415 HydrophobicContact CD1-CE1 4.17Å; L386-F415 HydrophobicContact CD1-CZ 3.78Å; F392-F415 HydrophobicContact CB-CE1 4.16Å; F392-F415 HydrophobicContact CB-CZ 3.88Å; L411-F415 HydrophobicContact CB-CD2 4.5Å; L411-F415 HydrophobicContact CD2-CD2 4.46Å; L411-F415 HydrophobicContact CD2-CE2 4.05Å; L411-F415 WeakPolarHBondContact O-CD2 3.43Å; L411-F415 PolarHBondContact O-N 2.87Å; F415-R417 VanDerWaalsContact C-N 3.33Å; F415-I418 HydrophobicContact CB-CG2 3.99Å; F415-C437 HydrophobicContact CB-CB 4.03Å; F415-C437 HydrophobicContact CD1-CB 3.4Å; F415-C437 HydrophobicContact CD2-CB 3.81Å; F415-C437 HydrophobicContact CE1-CB 3.66Å; F415-C437 HydrophobicContact CE2-CB 4.06Å; F415-C437 HydrophobicContact CG-CB 3.47Å; F415-C437 VanDerWaalsContact CG-CB 3.47Å; F415-C437 HydrophobicContact CZ-CB 3.98Å; F415-G439 CarbonylContact C-O 3.51Å; F415-G439 VanDerWaalsContact CA-O 3.3Å; F415-G439 WeakPolarHBondContact CA-O 3.49Å; F415-L440 HydrophobicContact CD1-CB 4.17Å; F415-L440 HydrophobicContact CD2-CD1 4.35Å; F415-L440 HydrophobicContact CE1-CB 3.78Å; F415-L440 HydrophobicContact CE1-CD1 4.36Å; F415-L440 HydrophobicContact CE2-CD1 3.95Å; F415-L440 HydrophobicContact CZ-CB 4.15Å; F415-L440 HydrophobicContact CZ-CD1 3.97Å; F415-K441 VanDerWaalsContact C-CE 3.49Å; F415-K441 WeakPolarHBondContact O-CE 3.37Å; F415-K441 PolarHBondContact O-NZ 3.18Å
416	D	95.8	Very high	97.9	Very high	81 Å²	81	14.1 Å²	14.1	43%	0.433	7%	0.068	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-43.3	177	-62.9	-30	0	0	0	110.6	R438 G439 K441	D416-R438 WeakPolarHBondContact CB-O 3.41Å; D416-R438 PolarHBondContact N-O 3Å; D416-G439 PolarHBondContact N-O 2.87Å; D416-G439 WeakPolarHBondContact OD2-CA 3.43Å; D416-K441 WeakPolarHBondContact OD1-CG 3.31Å
417	R	96.6	Very high	97.7	Very high	72 Å²	72	15.8 Å²	15.8	27%	0.272	7%	0.074	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145.6	174	-58.3	-62.9	-68.8	-99.5	2.6	111.7	W148 F149 E151 F415 C437 R438	W148-R417 VanDerWaalsContact CB-NH2 3.29Å; W148-R417 HydrophobicContact CD2-CB 4.37Å; W148-R417 HydrophobicContact CE3-CB 3.47Å; W148-R417 VanDerWaalsContact CE3-CB 3.47Å; W148-R417 HydrophobicContact CE3-CG 4.45Å; W148-R417 HydrophobicContact CZ3-CB 3.57Å; F149-R417 PolarHBondContact O-NE 3.1Å; F149-R417 PolarHBondContact O-NH2 2.87Å; E151-R417 WeakPolarHBondContact OE1-CD 3.25Å; E151-R417 IonicContact OE1-CZ 3.85Å; E151-R417 IonicContact OE1-NE 3.64Å; E151-R417 IonicContact OE1-NH1 2.65Å; E151-R417 PolarHBondContact OE1-NH1 2.92Å; F415-R417 VanDerWaalsContact C-N 3.33Å; R417-C437 WeakPolarHBondContact O-CA 3.39Å; R417-R438 HydrophobicContact CB-CB 4.48Å; R417-R438 PolarHBondContact N-O 3.18Å; R417-R438 VanDerWaalsContact N-O 3.1Å; R417-R438 PolarHBondContact O-N 3.49Å
418	I	98.2	Very high	97.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.3	167	66.8	152.6	0	0	0	111.8	F149 V408 Y412 F415 I435 V436 C437	F149-I418 HydrophobicContact CB-CG1 4.02Å; F149-I418 HydrophobicContact CD1-CD1 4.33Å; F149-I418 HydrophobicContact CD2-CD1 3.71Å; F149-I418 HydrophobicContact CD2-CG1 3.56Å; F149-I418 WeakPolarHBondContact CD2-O 3.41Å; F149-I418 HydrophobicContact CE1-CD1 4.34Å; F149-I418 HydrophobicContact CE2-CD1 3.71Å; F149-I418 HydrophobicContact CE2-CG1 4.07Å; F149-I418 HydrophobicContact CG-CD1 4.02Å; F149-I418 HydrophobicContact CG-CG1 3.8Å; F149-I418 HydrophobicContact CZ-CD1 4.03Å; F149-I418 PolarHBondContact N-O 3.09Å; V408-I418 HydrophobicContact CG1-CD1 3.82Å; Y412-I418 HydrophobicContact CD2-CD1 4.35Å; Y412-I418 HydrophobicContact CD2-CG1 4.1Å; F415-I418 HydrophobicContact CB-CG2 3.99Å; I418-I435 HydrophobicContact CD1-CD1 4.25Å; I418-V436 CarbonylContact C-O 3.11Å; I418-V436 VanDerWaalsContact CA-O 3.31Å; I418-V436 WeakPolarHBondContact CA-O 3.45Å; I418-C437 HydrophobicContact CG2-CB 3.85Å
419	S	98.7	Very high	97.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146	175.6	174.8	0	0	0	0	109.9	D147 I435 V436	D147-S419 WeakPolarHBondContact O-CB 3.3Å; D147-S419 PolarHBondContact O-OG 2.78Å; S419-I435 WeakPolarHBondContact O-CA 3.39Å; S419-V436 PolarHBondContact N-O 2.84Å; S419-V436 PolarHBondContact O-N 2.87Å
420	L	98.7	Very high	96.9	Very high	16 Å²	16	20.3 Å²	20.3	8%	0.084	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.2	165.5	-75	174.7	0	0	0	108.3	F149 L399 I435 M487	F149-L420 HydrophobicContact CE2-CD1 4.23Å; F149-L420 HydrophobicContact CE2-CG 3.96Å; F149-L420 HydrophobicContact CZ-CD1 4.07Å; F149-L420 HydrophobicContact CZ-CG 4.28Å; L399-L420 HydrophobicContact CD1-CD1 3.68Å; L399-L420 HydrophobicContact CD1-CD2 3.59Å; L399-L420 HydrophobicContact CD1-CG 4.3Å; L420-I435 HydrophobicContact CD2-CB 3.95Å; L420-I435 HydrophobicContact CD2-CD1 4.35Å; L420-I435 HydrophobicContact CD2-CG1 4.33Å; L420-M487 HydrophobicContact CD1-CE 4.09Å; L420-M487 HydrophobicContact CD1-SD 3.79Å
421	F	98.5	Very high	96.8	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.057	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.3	-169.3	179.8	-111.2	0	0	0	111.6	E144 V146 I234 C237 F238 P423 Y434	E144-F421 HydrophobicContact CB-CE2 4.2Å; E144-F421 HydrophobicContact CB-CZ 4.14Å; E144-F421 WeakPolarHBondContact OE2-CZ 3.16Å; V146-F421 HydrophobicContact CG2-CD2 4.08Å; V146-F421 HydrophobicContact CG2-CE2 3.93Å; I234-F421 HydrophobicContact CG1-CD1 4.21Å; I234-F421 HydrophobicContact CG1-CE1 4.13Å; C237-F421 HydrophobicContact CB-CE1 4.23Å; C237-F421 HydrophobicContact CB-CZ 3.92Å; F238-F421 HydrophobicContact CE2-CB 4.09Å; F238-F421 AromaticContact CE2-CD1 3.67Å; F238-F421 HydrophobicContact CE2-CD1 3.67Å; F238-F421 HydrophobicContact CE2-CD2 4.38Å; F238-F421 HydrophobicContact CE2-CE1 4.13Å; F238-F421 AromaticContact CE2-CG 3.79Å; F238-F421 HydrophobicContact CE2-CG 3.79Å; F238-F421 HydrophobicContact CZ-CB 3.96Å; F238-F421 HydrophobicContact CZ-CD1 4.4Å; F238-F421 HydrophobicContact CZ-CG 4.11Å; F421-P423 HydrophobicContact CD1-CB 4.33Å; F421-P423 HydrophobicContact CE1-CB 3.69Å; F421-P423 HydrophobicContact CE1-CG 4.43Å; F421-P423 HydrophobicContact CZ-CB 4.34Å; F421-Y434 PolarHBondContact N-O 3.43Å; F421-Y434 PolarHBondContact O-N 3.31Å
422	K	98.1	Very high	96.7	Very high	44 Å²	44	21.5 Å²	21.5	19%	0.191	11%	0.11	C	C	.	.			trans	-107.3	103	170.8	-176.4	174.9	178.8	80.7	0	108.7	S426 R427 N430 E432 R433 L494	K422-S426 PolarHBondContact NZ-OG 2.79Å; K422-S426 VanDerWaalsContact NZ-OG 3.15Å; K422-R427 WeakPolarHBondContact CE-O 3.49Å; K422-R427 PolarHBondContact NZ-O 3.06Å; K422-N430 PolarHBondContact NZ-O 2.83Å; K422-N430 PolarHBondContact NZ-OD1 2.76Å; K422-E432 PolarHBondContact NZ-O 3.06Å; K422-R433 HydrophobicContact CB-CB 4.27Å; K422-L494 HydrophobicContact CD-CD1 3.39Å; K422-L494 HydrophobicContact CD-CD2 4.45Å
423	P	97.8	Very high	96.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.109	C	C	.	.			trans	-65.4	150.4	177.7	27.1	-33.9	0	0	0	110.7	E144 N233 I234 F421 T425 S426 Y434	E144-P423 VanDerWaalsContact OE2-CA 3.27Å; E144-P423 WeakPolarHBondContact OE2-CA 3.41Å; N233-P423 HydrophobicContact CB-CB 4.45Å; N233-P423 WeakPolarHBondContact OD1-CB 3.44Å; I234-P423 HydrophobicContact CD1-CG 4.18Å; I234-P423 HydrophobicContact CG1-CB 4.15Å; I234-P423 HydrophobicContact CG1-CG 4.08Å; F421-P423 HydrophobicContact CD1-CB 4.33Å; F421-P423 HydrophobicContact CE1-CB 3.69Å; F421-P423 HydrophobicContact CE1-CG 4.43Å; F421-P423 HydrophobicContact CZ-CB 4.34Å; P423-T425 PolarHBondContact O-N 2.68Å; P423-T425 VanDerWaalsContact O-N 3.12Å; P423-S426 WeakPolarHBondContact O-CA 3.48Å; P423-S426 WeakPolarHBondContact O-CB 3.43Å; P423-S426 PolarHBondContact O-N 2.91Å; P423-Y434 HydrophobicContact CG-CD2 3.97Å; P423-Y434 HydrophobicContact CG-CE2 4.16Å
424	V	97.2	Very high	96.7	Very high	22 Å²	22	21.3 Å²	21.3	13%	0.133	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.9	176.4	-65.4	0	0	0	0	113.8	E144 Y215 S426 W530	E144-V424 HydrophobicContact CG-CG1 3.69Å; E144-V424 HydrophobicContact CG-CG2 4.47Å; E144-V424 PolarHBondContact OE2-N 3.08Å; Y215-V424 WeakPolarHBondContact CB-O 3.22Å; Y215-V424 HydrophobicContact CD1-CB 3.73Å; Y215-V424 HydrophobicContact CD1-CG1 4.39Å; Y215-V424 HydrophobicContact CD1-CG2 3.85Å; Y215-V424 HydrophobicContact CD2-CB 3.78Å; Y215-V424 HydrophobicContact CD2-CG1 4.31Å; Y215-V424 HydrophobicContact CE1-CB 3.72Å; Y215-V424 HydrophobicContact CE1-CG1 3.86Å; Y215-V424 HydrophobicContact CE1-CG2 3.98Å; Y215-V424 HydrophobicContact CE2-CB 3.76Å; Y215-V424 HydrophobicContact CE2-CG1 3.76Å; Y215-V424 HydrophobicContact CG-CB 3.78Å; Y215-V424 HydrophobicContact CG-CG2 4.27Å; V424-S426 VanDerWaalsContact C-N 3.29Å; V424-W530 HydrophobicContact CG2-CH2 4.11Å; V424-W530 HydrophobicContact CG2-CZ2 3.97Å
425	T	97.1	Very high	96.8	Very high	24 Å²	24	21.3 Å²	21.3	15%	0.147	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12	169.9	44.9	0	0	0	0	114.1	I218 M229 K230 N233 P423 W530	I218-T425 HydrophobicContact CD1-CG2 4.37Å; I218-T425 HydrophobicContact CG2-CG2 4.18Å; M229-T425 HydrophobicContact CB-CG2 4.34Å; K230-T425 VanDerWaalsContact CA-OG1 3.3Å; K230-T425 WeakPolarHBondContact CA-OG1 3.27Å; N233-T425 HydrophobicContact CB-CG2 4.14Å; N233-T425 WeakPolarHBondContact OD1-CG2 3.32Å; N233-T425 PolarHBondContact OD1-N 2.7Å; N233-T425 PolarHBondContact OD1-OG1 3.14Å; P423-T425 PolarHBondContact O-N 2.68Å; P423-T425 VanDerWaalsContact O-N 3.12Å; T425-W530 HydrophobicContact CG2-CH2 3.54Å; T425-W530 HydrophobicContact CG2-CZ3 3.75Å
426	S	96.3	Very high	96.8	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.021	11%	0.109	C	C	.	.	S	Bend	trans	-83.8	138.8	161	-171.5	0	0	0	0	109.5	K422 P423 V424 N430 E432	K422-S426 PolarHBondContact NZ-OG 2.79Å; K422-S426 VanDerWaalsContact NZ-OG 3.15Å; P423-S426 WeakPolarHBondContact O-CA 3.48Å; P423-S426 WeakPolarHBondContact O-CB 3.43Å; P423-S426 PolarHBondContact O-N 2.91Å; V424-S426 VanDerWaalsContact C-N 3.29Å; S426-N430 PolarHBondContact OG-OD1 2.92Å; S426-E432 VanDerWaalsContact CB-OE1 3.29Å; S426-E432 WeakPolarHBondContact CB-OE1 3.27Å; S426-E432 PolarHBondContact OG-O 3.01Å; S426-E432 PolarHBondContact OG-OE1 3.08Å
427	R	95.1	Very high	97	Very high	34 Å²	34	17.4 Å²	17.4	13%	0.128	9%	0.088	C	C	.	.			trans	-68.9	134.8	-173.9	-73.6	165.7	169.4	172.9	-5.6	110.6	D42 R209 E216 R226 K422 A429 N430	D42-R427 IonicContact OD2-CZ 2.69Å; D42-R427 IonicContact OD2-NH1 3.83Å; D42-R427 PolarHBondContact OD2-NH1 2.68Å; D42-R427 IonicContact OD2-NH2 3.69Å; D42-R427 PolarHBondContact OD2-NH2 3.08Å; R209-R427 VanDerWaalsContact NH1-CZ 3.33Å; E216-R427 IonicContact OE1-CZ 3.85Å; E216-R427 IonicContact OE1-NE 3.21Å; E216-R427 IonicContact OE1-NH2 2.77Å; E216-R427 PolarHBondContact OE1-NH2 3.02Å; E216-R427 IonicContact OE2-NE 2.79Å; R226-R427 VanDerWaalsContact CZ-NH2 3.27Å; R226-R427 VanDerWaalsContact NH2-CZ 3.34Å; K422-R427 WeakPolarHBondContact CE-O 3.49Å; K422-R427 PolarHBondContact NZ-O 3.06Å; R427-A429 VanDerWaalsContact C-N 3.29Å; R427-A429 PolarHBondContact O-N 3.11Å; R427-N430 PolarHBondContact O-N 3.08Å; R427-N430 PolarHBondContact O-OD1 3.27Å
428	P	94.3	Very high	97	Very high	35 Å²	35	18.6 Å²	18.6	23%	0.227	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-30.4	-170	24.3	-34.7	0	0	0	113.7	N430 A501	P428-N430 PolarHBondContact O-N 3.31Å; P428-A501 HydrophobicContact CB-CB 3.83Å; P428-A501 HydrophobicContact CG-CB 4.23Å
429	A	93.1	Very high	96.9	Very high	16 Å²	16	18.7 Å²	18.7	13%	0.132	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	8.8	-176.6	0	0	0	0	0	115.5	R427 A501 L502 I505	R427-A429 VanDerWaalsContact C-N 3.29Å; R427-A429 PolarHBondContact O-N 3.11Å; A429-A501 HydrophobicContact CB-CB 3.82Å; A429-L502 HydrophobicContact CB-CD2 4.03Å; A429-L502 HydrophobicContact CB-CG 4.13Å; A429-I505 HydrophobicContact CB-CD1 3.37Å
430	N	92.6	Very high	96.9	Very high	54 Å²	54	19.3 Å²	19.3	29%	0.289	10%	0.097	S	C	.	.	S	Bend	trans	-115.5	159.6	176.7	78.6	-2.7	0	0	0	112.5	K422 S426 R427 P428 E432	K422-N430 PolarHBondContact NZ-O 2.83Å; K422-N430 PolarHBondContact NZ-OD1 2.76Å; S426-N430 PolarHBondContact OG-OD1 2.92Å; R427-N430 PolarHBondContact O-N 3.08Å; R427-N430 PolarHBondContact O-OD1 3.27Å; P428-N430 PolarHBondContact O-N 3.31Å; N430-E432 PolarHBondContact O-N 3.38Å; N430-E432 WeakPolarHBondContact OD1-CB 3.25Å; N430-E432 PolarHBondContact OD1-N 3.26Å
431	S	95.2	Very high	96.7	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.049	10%	0.101	C	C	.	.			trans	-71	-7.6	179.2	-67.4	0	0	0	0	115.4	K194 F397 D398 R433 Q498	K194-S431 PolarHBondContact NZ-OG 3.14Å; F397-S431 CarbonylContact C-O 3.5Å; F397-S431 VanDerWaalsContact CA-O 3.23Å; F397-S431 WeakPolarHBondContact CA-O 3.36Å; F397-S431 VanDerWaalsContact O-O 3.11Å; D398-S431 WeakPolarHBondContact OD1-CB 3.26Å; D398-S431 PolarHBondContact OD1-OG 3.24Å; D398-S431 PolarHBondContact OD2-OG 2.69Å; S431-R433 PolarHBondContact O-N 2.78Å; S431-Q498 PolarHBondContact OG-OE1 2.99Å
432	E	96.4	Very high	96.4	Very high	18 Å²	18	24.3 Å²	24.3	8%	0.084	13%	0.128	C	C	.	.			trans	-61.1	122	-178.6	-178.9	-176.2	83.3	0	0	111.6	K230 K395 T396 K422 S426 N430 Y434	K230-E432 WeakPolarHBondContact CE-OE1 3.26Å; K230-E432 IonicContact NZ-OE1 3.99Å; K230-E432 PolarHBondContact NZ-OE1 2.74Å; K230-E432 IonicContact NZ-OE2 3.72Å; K230-E432 PolarHBondContact NZ-OE2 2.73Å; K395-E432 HydrophobicContact CD-CG 3.74Å; K395-E432 WeakPolarHBondContact CD-OE2 3.38Å; K395-E432 HydrophobicContact CG-CG 4.02Å; T396-E432 WeakPolarHBondContact O-CA 3.31Å; K422-E432 PolarHBondContact NZ-O 3.06Å; S426-E432 VanDerWaalsContact CB-OE1 3.29Å; S426-E432 WeakPolarHBondContact CB-OE1 3.27Å; S426-E432 PolarHBondContact OG-O 3.01Å; S426-E432 PolarHBondContact OG-OE1 3.08Å; N430-E432 PolarHBondContact O-N 3.38Å; N430-E432 WeakPolarHBondContact OD1-CB 3.25Å; N430-E432 PolarHBondContact OD1-N 3.26Å; E432-Y434 HydrophobicContact CG-CE2 4.1Å
433	R	97.6	Very high	95.9	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.023	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	171.3	167.2	69.8	177.7	97.6	-168.7	12.9	109.1	T396 F397 K422 S431 S490 N491 L494	T396-R433 HydrophobicContact CG2-CG 3.61Å; T396-R433 PolarHBondContact N-O 2.84Å; T396-R433 PolarHBondContact O-N 3.48Å; F397-R433 PolarHBondContact O-NE 2.93Å; K422-R433 HydrophobicContact CB-CB 4.27Å; S431-R433 PolarHBondContact O-N 2.78Å; R433-S490 PolarHBondContact NH1-O 3.04Å; R433-N491 PolarHBondContact NH2-OD1 3.44Å; R433-L494 HydrophobicContact CB-CD2 4.42Å
434	Y	98.7	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.2	179.5	-71	-92.4	0	0	0	109.9	K230 I234 F274 D355 V393 C394 K395 F421 P423 E432	K230-Y434 HydrophobicContact CD-CE2 4.07Å; K230-Y434 VanDerWaalsContact CD-OH 3.24Å; K230-Y434 WeakPolarHBondContact CD-OH 3.14Å; K230-Y434 PolarHBondContact NZ-OH 2.84Å; I234-Y434 HydrophobicContact CD1-CD1 4.03Å; I234-Y434 HydrophobicContact CD1-CD2 3.93Å; I234-Y434 HydrophobicContact CD1-CE1 4.45Å; I234-Y434 HydrophobicContact CD1-CE2 4.35Å; I234-Y434 HydrophobicContact CD1-CG 3.77Å; F274-Y434 HydrophobicContact CE2-CE1 4.32Å; F274-Y434 AromaticContact CZ-CE1 3.81Å; F274-Y434 HydrophobicContact CZ-CE1 3.81Å; D355-Y434 PolarHBondContact OD1-OH 3.28Å; V393-Y434 HydrophobicContact CG2-CD1 3.84Å; V393-Y434 HydrophobicContact CG2-CG 4.4Å; C394-Y434 CarbonylContact O-C 3.26Å; C394-Y434 VanDerWaalsContact O-CA 3.29Å; C394-Y434 WeakPolarHBondContact O-CA 3.25Å; K395-Y434 HydrophobicContact CB-CD1 4.13Å; K395-Y434 HydrophobicContact CB-CE1 3.58Å; K395-Y434 HydrophobicContact CG-CE1 4.34Å; F421-Y434 PolarHBondContact N-O 3.43Å; F421-Y434 PolarHBondContact O-N 3.31Å; P423-Y434 HydrophobicContact CG-CD2 3.97Å; P423-Y434 HydrophobicContact CG-CE2 4.16Å; E432-Y434 HydrophobicContact CG-CE2 4.1Å
435	I	98.7	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.6	160.7	-176.2	153.8	0	0	0	108.3	F379 V393 C394 V408 L411 I418 S419 L420	F379-I435 HydrophobicContact CE1-CG2 3.8Å; F379-I435 HydrophobicContact CZ-CG2 3.79Å; V393-I435 WeakPolarHBondContact CA-O 3.27Å; C394-I435 HydrophobicContact CB-CG2 3.72Å; C394-I435 PolarHBondContact N-O 3.18Å; C394-I435 PolarHBondContact O-N 2.75Å; V408-I435 HydrophobicContact CB-CD1 4.24Å; V408-I435 HydrophobicContact CG1-CD1 3.77Å; V408-I435 HydrophobicContact CG2-CD1 3.92Å; L411-I435 HydrophobicContact CD1-CD1 3.93Å; L411-I435 HydrophobicContact CD1-CG1 4.43Å; I418-I435 HydrophobicContact CD1-CD1 4.25Å; S419-I435 WeakPolarHBondContact O-CA 3.39Å; L420-I435 HydrophobicContact CD2-CB 3.95Å; L420-I435 HydrophobicContact CD2-CD1 4.35Å; L420-I435 HydrophobicContact CD2-CG1 4.33Å
436	V	98.9	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.2	-177.4	179.1	0	0	0	0	108.7	I234 F238 M241 F242 V393 I418 S419	I234-V436 HydrophobicContact CG2-CG2 4.24Å; F238-V436 HydrophobicContact CD1-CB 4.34Å; F238-V436 HydrophobicContact CD1-CG1 3.47Å; F238-V436 VanDerWaalsContact CD1-CG1 3.47Å; F238-V436 HydrophobicContact CD2-CG1 4.28Å; F238-V436 HydrophobicContact CE1-CB 3.7Å; F238-V436 HydrophobicContact CE1-CG1 3.33Å; F238-V436 HydrophobicContact CE1-CG2 4.27Å; F238-V436 HydrophobicContact CE2-CB 4.27Å; F238-V436 HydrophobicContact CE2-CG1 4.17Å; F238-V436 HydrophobicContact CE2-CG2 3.93Å; F238-V436 HydrophobicContact CG-CG1 3.96Å; F238-V436 HydrophobicContact CZ-CB 3.66Å; F238-V436 HydrophobicContact CZ-CG1 3.7Å; F238-V436 HydrophobicContact CZ-CG2 3.76Å; M241-V436 HydrophobicContact CE-CG1 3.28Å; F242-V436 HydrophobicContact CZ-CG1 4.01Å; V393-V436 HydrophobicContact CB-CG2 4.48Å; V393-V436 HydrophobicContact CG2-CG2 4.02Å; I418-V436 CarbonylContact C-O 3.11Å; I418-V436 VanDerWaalsContact CA-O 3.31Å; I418-V436 WeakPolarHBondContact CA-O 3.45Å; S419-V436 PolarHBondContact N-O 2.84Å; S419-V436 PolarHBondContact O-N 2.87Å
437	C	98.8	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.1	-176.5	-41.7	0	0	0	0	110.9	H391 F392 F415 R417 I418	H391-C437 CarbonylContact C-O 3.55Å; H391-C437 WeakPolarHBondContact CA-O 3.3Å; F392-C437 HydrophobicContact CB-CB 4.08Å; F392-C437 PolarHBondContact N-O 2.94Å; F392-C437 PolarHBondContact O-N 3.25Å; F415-C437 HydrophobicContact CB-CB 4.03Å; F415-C437 HydrophobicContact CD1-CB 3.4Å; F415-C437 HydrophobicContact CD2-CB 3.81Å; F415-C437 HydrophobicContact CE1-CB 3.66Å; F415-C437 HydrophobicContact CE2-CB 4.06Å; F415-C437 HydrophobicContact CG-CB 3.47Å; F415-C437 VanDerWaalsContact CG-CB 3.47Å; F415-C437 HydrophobicContact CZ-CB 3.98Å; R417-C437 WeakPolarHBondContact O-CA 3.39Å; I418-C437 HydrophobicContact CG2-CB 3.85Å
438	R	97.8	Very high	95.7	Very high	97 Å²	97	27.9 Å²	27.9	37%	0.366	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.6	179.7	179.4	-180	172.6	-175.2	-3.5	109.5	W148 M241 D416 R417	W148-R438 HydrophobicContact CH2-CB 3.95Å; W148-R438 HydrophobicContact CZ3-CB 4.05Å; M241-R438 HydrophobicContact CE-CB 4.43Å; M241-R438 HydrophobicContact SD-CB 4.01Å; M241-R438 HydrophobicContact SD-CG 4.05Å; D416-R438 WeakPolarHBondContact CB-O 3.41Å; D416-R438 PolarHBondContact N-O 3Å; R417-R438 HydrophobicContact CB-CB 4.48Å; R417-R438 PolarHBondContact N-O 3.18Å; R417-R438 VanDerWaalsContact N-O 3.1Å; R417-R438 PolarHBondContact O-N 3.49Å
439	G	96.6	Very high	95.8	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.9	85.7	173.2	0	0	0	0	0	114	G390 H391 F415 D416 K441	G390-G439 CarbonylContact O-C 3.55Å; G390-G439 WeakPolarHBondContact O-CA 3.27Å; G390-G439 PolarHBondContact O-N 3.39Å; G390-G439 VanDerWaalsContact O-N 3.09Å; H391-G439 PolarHBondContact ND1-N 3Å; F415-G439 CarbonylContact C-O 3.51Å; F415-G439 VanDerWaalsContact CA-O 3.3Å; F415-G439 WeakPolarHBondContact CA-O 3.49Å; D416-G439 PolarHBondContact N-O 2.87Å; D416-G439 WeakPolarHBondContact OD2-CA 3.43Å; G439-K441 PolarHBondContact O-N 3.39Å
440	L	97.2	Very high	96.1	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.063	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	118.5	172.4	176.6	63.8	0	0	0	110.4	L383 L386 G389 G390 C414 F415	L383-L440 HydrophobicContact CD2-CD1 3.62Å; L386-L440 HydrophobicContact CB-CD2 3.6Å; L386-L440 HydrophobicContact CD1-CD2 4.48Å; G389-L440 PolarHBondContact N-O 3.06Å; G390-L440 PolarHBondContact O-N 3.31Å; C414-L440 HydrophobicContact CB-CD1 4.34Å; F415-L440 HydrophobicContact CD1-CB 4.17Å; F415-L440 HydrophobicContact CD2-CD1 4.35Å; F415-L440 HydrophobicContact CE1-CB 3.78Å; F415-L440 HydrophobicContact CE1-CD1 4.36Å; F415-L440 HydrophobicContact CE2-CD1 3.95Å; F415-L440 HydrophobicContact CZ-CB 4.15Å; F415-L440 HydrophobicContact CZ-CD1 3.97Å
441	K	95	Very high	96.4	Very high	38 Å²	38	27.1 Å²	27.1	17%	0.165	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-68.6	147.1	178.5	-67.7	167.6	178.1	155.4	0	111.4	L413 C414 F415 D416 G439 S444	L413-K441 VanDerWaalsContact O-CD 3.27Å; L413-K441 WeakPolarHBondContact O-CD 3.33Å; L413-K441 PolarHBondContact O-NZ 3.22Å; C414-K441 VanDerWaalsContact O-CB 3.32Å; C414-K441 WeakPolarHBondContact O-CB 3.13Å; C414-K441 PolarHBondContact O-N 3.19Å; F415-K441 VanDerWaalsContact C-CE 3.49Å; F415-K441 WeakPolarHBondContact O-CE 3.37Å; F415-K441 PolarHBondContact O-NZ 3.18Å; D416-K441 WeakPolarHBondContact OD1-CG 3.31Å; G439-K441 PolarHBondContact O-N 3.39Å; K441-S444 PolarHBondContact O-OG 3.4Å
442	P	93.1	Very high	96.5	Very high	97 Å²	97	29 Å²	29	63%	0.63	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	155	167.1	30.6	-35.3	0	0	0	110.6	T388	T388-P442 HydrophobicContact CG2-CB 4.2Å
443	G	86.8	Confident	96.6	Very high	51 Å²	51	33 Å²	33	53%	0.526	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-3.9	178.2	0	0	0	0	0	115.8	D445	G443-D445 PolarHBondContact O-N 3.46Å
444	S	91.9	Very high	96.6	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.063	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	3.3	178.8	-55.9	0	0	0	0	115.5	K441 V447 R448	K441-S444 PolarHBondContact O-OG 3.4Å; S444-V447 PolarHBondContact O-N 2.98Å; S444-R448 PolarHBondContact O-N 3.34Å; S444-R448 VanDerWaalsContact O-N 3.09Å
445	D	94.4	Very high	96.6	Very high	85 Å²	85	32.7 Å²	32.7	46%	0.455	17%	0.173	S	C	.	.	H	α-helix	trans	-60.2	-41.7	178.8	-72.4	-88.9	0	0	0	113.2	G443 V447 R448 E449	G443-D445 PolarHBondContact O-N 3.46Å; D445-V447 PolarHBondContact O-N 3.08Å; D445-R448 WeakPolarHBondContact O-CB 3.29Å; D445-R448 PolarHBondContact O-N 3.22Å; D445-R448 IonicContact OD1-CZ 3.6Å; D445-R448 IonicContact OD1-NH1 3.07Å; D445-R448 PolarHBondContact OD1-NH1 3.15Å; D445-R448 IonicContact OD1-NH2 2.69Å; D445-R448 PolarHBondContact OD1-NH2 2.75Å; D445-E449 WeakPolarHBondContact O-CG 3.5Å; D445-E449 PolarHBondContact O-N 3.28Å
446	A	96.8	Very high	96.6	Very high	24 Å²	24	35.9 Å²	35.9	20%	0.198	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-43.3	-179.3	0	0	0	0	0	111.7	L162 E449 Y450	L162-A446 HydrophobicContact CD1-CB 3.97Å; A446-E449 PolarHBondContact O-N 2.7Å; A446-Y450 WeakPolarHBondContact O-CB 3.29Å; A446-Y450 PolarHBondContact O-N 3.15Å
447	V	97.9	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-38.7	175	177.8	0	0	0	0	111.6	T156 P157 L162 L383 L410 S444 D445 Y450 M451	T156-V447 HydrophobicContact CG2-CG2 3.93Å; P157-V447 HydrophobicContact CG-CG2 4.26Å; L162-V447 HydrophobicContact CD1-CB 4.43Å; L162-V447 HydrophobicContact CD1-CG2 3.83Å; L383-V447 HydrophobicContact CD1-CB 4.46Å; L383-V447 HydrophobicContact CD1-CG1 3.82Å; L410-V447 HydrophobicContact CB-CG1 4.06Å; L410-V447 HydrophobicContact CD2-CG1 4.04Å; L410-V447 HydrophobicContact CG-CG1 4.45Å; S444-V447 PolarHBondContact O-N 2.98Å; D445-V447 PolarHBondContact O-N 3.08Å; V447-Y450 PolarHBondContact O-N 3.46Å; V447-M451 HydrophobicContact CG1-CE 4.05Å; V447-M451 WeakPolarHBondContact O-CG 3.25Å; V447-M451 PolarHBondContact O-N 3.25Å
448	R	97.5	Very high	96.5	Very high	33 Å²	33	39.2 Å²	39.2	13%	0.125	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-52.5	172.9	-177.5	-167	64.8	-125.1	-7.2	111.3	L380 L383 S384 S444 D445 Y450 M451 F452	L380-R448 HydrophobicContact CD1-CG 3.89Å; L380-R448 WeakPolarHBondContact CD1-O 3.49Å; L383-R448 HydrophobicContact CB-CB 4.14Å; L383-R448 HydrophobicContact CB-CG 4.35Å; S384-R448 WeakPolarHBondContact OG-CD 3.35Å; S444-R448 PolarHBondContact O-N 3.34Å; S444-R448 VanDerWaalsContact O-N 3.09Å; D445-R448 WeakPolarHBondContact O-CB 3.29Å; D445-R448 PolarHBondContact O-N 3.22Å; D445-R448 IonicContact OD1-CZ 3.6Å; D445-R448 IonicContact OD1-NH1 3.07Å; D445-R448 PolarHBondContact OD1-NH1 3.15Å; D445-R448 IonicContact OD1-NH2 2.69Å; D445-R448 PolarHBondContact OD1-NH2 2.75Å; R448-Y450 VanDerWaalsContact C-N 3.27Å; R448-Y450 PolarHBondContact O-N 3.02Å; R448-M451 PolarHBondContact O-N 3.16Å; R448-F452 PolarHBondContact O-N 2.83Å
449	E	97.8	Very high	96.5	Very high	90 Å²	90	36.6 Å²	36.6	42%	0.421	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-34.2	-179.7	-62.7	-47.8	133.5	0	0	111.6	D445 A446 F452 R453	D445-E449 WeakPolarHBondContact O-CG 3.5Å; D445-E449 PolarHBondContact O-N 3.28Å; A446-E449 PolarHBondContact O-N 2.7Å; E449-F452 PolarHBondContact O-N 3.31Å; E449-R453 WeakPolarHBondContact O-CG 3.47Å; E449-R453 PolarHBondContact O-N 2.72Å
450	Y	98.5	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-53.7	171.4	175.6	-126.7	0	0	0	112.2	L162 L166 L410 A446 V447 R448 F452 R453 V454 V471	L162-Y450 HydrophobicContact CB-CD1 4.46Å; L162-Y450 HydrophobicContact CB-CD2 4.4Å; L162-Y450 HydrophobicContact CB-CG 4.09Å; L162-Y450 HydrophobicContact CD2-CD1 3.82Å; L162-Y450 HydrophobicContact CD2-CE1 4.21Å; L162-Y450 HydrophobicContact CD2-CG 4.28Å; L162-Y450 VanDerWaalsContact O-CD2 3.27Å; L162-Y450 WeakPolarHBondContact O-CD2 3.34Å; L162-Y450 WeakPolarHBondContact O-CE2 3.41Å; L166-Y450 WeakPolarHBondContact CA-OH 3.37Å; L166-Y450 HydrophobicContact CB-CE2 4.16Å; L166-Y450 PolarHBondContact N-OH 3.34Å; L410-Y450 HydrophobicContact CD1-CD1 4.16Å; L410-Y450 HydrophobicContact CD1-CE1 4.04Å; A446-Y450 WeakPolarHBondContact O-CB 3.29Å; A446-Y450 PolarHBondContact O-N 3.15Å; V447-Y450 PolarHBondContact O-N 3.46Å; R448-Y450 VanDerWaalsContact C-N 3.27Å; R448-Y450 PolarHBondContact O-N 3.02Å; Y450-F452 PolarHBondContact O-N 3.07Å; Y450-R453 WeakPolarHBondContact O-CA 3.49Å; Y450-R453 WeakPolarHBondContact O-CB 3.29Å; Y450-R453 PolarHBondContact O-N 3.14Å; Y450-V454 HydrophobicContact CD1-CG2 4.44Å; Y450-V454 HydrophobicContact CD2-CG2 3.96Å; Y450-V454 HydrophobicContact CE1-CG2 4.16Å; Y450-V454 HydrophobicContact CE2-CG2 3.65Å; Y450-V454 HydrophobicContact CG-CG2 4.37Å; Y450-V454 VanDerWaalsContact O-CG2 3.26Å; Y450-V454 WeakPolarHBondContact O-CG2 3.44Å; Y450-V454 PolarHBondContact O-N 3.21Å; Y450-V471 HydrophobicContact CE1-CB 4.49Å; Y450-V471 WeakPolarHBondContact CE1-O 3.44Å; Y450-V471 PolarHBondContact OH-O 3.21Å
451	M	98.6	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-36.6	176.3	-72.8	-172.7	-178.8	0	0	112	F379 L380 L383 L407 L410 V447 R448 V454 N455	F379-M451 HydrophobicContact CB-CE 4.34Å; F379-M451 HydrophobicContact CB-SD 4.09Å; L380-M451 HydrophobicContact CB-CB 4.15Å; L380-M451 HydrophobicContact CB-SD 4.48Å; L380-M451 HydrophobicContact CD1-CB 3.95Å; L380-M451 HydrophobicContact CG-CB 4.49Å; L383-M451 HydrophobicContact CD1-CE 4.07Å; L383-M451 HydrophobicContact CD1-SD 3.83Å; L407-M451 HydrophobicContact CD2-CE 4.27Å; L410-M451 HydrophobicContact CB-CE 3.5Å; L410-M451 VanDerWaalsContact CB-CE 3.5Å; L410-M451 HydrophobicContact CD1-CE 3.69Å; L410-M451 HydrophobicContact CD1-CG 4.38Å; L410-M451 HydrophobicContact CG-CE 4.24Å; V447-M451 HydrophobicContact CG1-CE 4.05Å; V447-M451 WeakPolarHBondContact O-CG 3.25Å; V447-M451 PolarHBondContact O-N 3.25Å; R448-M451 PolarHBondContact O-N 3.16Å; M451-V454 PolarHBondContact O-N 3.45Å; M451-N455 PolarHBondContact O-N 3.44Å
452	F	98.4	Very high	96.2	Very high	45 Å²	45	46.7 Å²	46.7	20%	0.197	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-44.6	174.5	-167.9	-91.4	0	0	0	112.1	P330 L380 R448 E449 Y450 V454 N455 L456	P330-F452 HydrophobicContact CB-CE1 4.4Å; P330-F452 HydrophobicContact CB-CE2 3.86Å; P330-F452 HydrophobicContact CB-CZ 3.61Å; L380-F452 HydrophobicContact CD1-CB 4.04Å; L380-F452 HydrophobicContact CD2-CB 4.31Å; L380-F452 HydrophobicContact CD2-CD2 4.12Å; R448-F452 PolarHBondContact O-N 2.83Å; E449-F452 PolarHBondContact O-N 3.31Å; Y450-F452 PolarHBondContact O-N 3.07Å; F452-V454 VanDerWaalsContact C-N 3.34Å; F452-V454 PolarHBondContact O-N 3.22Å; F452-N455 PolarHBondContact O-N 3.42Å; F452-L456 HydrophobicContact CD1-CD1 3.8Å; F452-L456 HydrophobicContact CD1-CG 4.39Å; F452-L456 HydrophobicContact CE1-CD1 3.71Å; F452-L456 HydrophobicContact CE1-CG 4.28Å; F452-L456 WeakPolarHBondContact O-CG 3.42Å; F452-L456 PolarHBondContact O-N 3.47Å
453	R	98	Very high	96.1	Very high	102 Å²	102	49.4 Å²	49.4	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-39.9	172	-71.1	-173.3	-66.5	125.4	-7.5	112.3	L162 E449 Y450 L456 K457	L162-R453 PolarHBondContact O-NH2 2.68Å; E449-R453 WeakPolarHBondContact O-CG 3.47Å; E449-R453 PolarHBondContact O-N 2.72Å; Y450-R453 WeakPolarHBondContact O-CA 3.49Å; Y450-R453 WeakPolarHBondContact O-CB 3.29Å; Y450-R453 PolarHBondContact O-N 3.14Å; R453-L456 PolarHBondContact O-N 2.96Å; R453-K457 PolarHBondContact O-N 3.38Å
454	V	98.5	Very high	96.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-44.4	177.1	-177	0	0	0	0	110.5	L166 L376 Y450 M451 F452 L456 K457 L458 V468 V471	L166-V454 HydrophobicContact CD1-CB 4.33Å; L166-V454 HydrophobicContact CD1-CG1 4.18Å; L166-V454 HydrophobicContact CD1-CG2 3.91Å; L376-V454 HydrophobicContact CD1-CB 3.83Å; L376-V454 HydrophobicContact CD1-CG1 3.35Å; Y450-V454 HydrophobicContact CD1-CG2 4.44Å; Y450-V454 HydrophobicContact CD2-CG2 3.96Å; Y450-V454 HydrophobicContact CE1-CG2 4.16Å; Y450-V454 HydrophobicContact CE2-CG2 3.65Å; Y450-V454 HydrophobicContact CG-CG2 4.37Å; Y450-V454 VanDerWaalsContact O-CG2 3.26Å; Y450-V454 WeakPolarHBondContact O-CG2 3.44Å; Y450-V454 PolarHBondContact O-N 3.21Å; M451-V454 PolarHBondContact O-N 3.45Å; F452-V454 VanDerWaalsContact C-N 3.34Å; F452-V454 PolarHBondContact O-N 3.22Å; V454-L456 PolarHBondContact O-N 3.37Å; V454-K457 WeakPolarHBondContact O-CA 3.49Å; V454-K457 WeakPolarHBondContact O-CB 3.35Å; V454-K457 PolarHBondContact O-N 3.07Å; V454-K457 VanDerWaalsContact O-N 3.07Å; V454-L458 HydrophobicContact CG1-CD1 4.34Å; V454-L458 WeakPolarHBondContact O-CG 3.36Å; V454-L458 PolarHBondContact O-N 2.89Å; V454-V468 HydrophobicContact CG1-CG1 4.2Å; V454-V471 HydrophobicContact CG1-CG1 3.83Å; V454-V471 HydrophobicContact CG2-CG1 4.39Å
455	N	98.6	Very high	96.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-45.1	176	-175.6	35.8	0	0	0	112.2	T328 Q373 L376 C377 L380 M451 F452 K457 L458 N459	T328-N455 PolarHBondContact O-ND2 3.33Å; T328-N455 PolarHBondContact O-OD1 2.89Å; Q373-N455 PolarHBondContact NE2-OD1 2.93Å; L376-N455 HydrophobicContact CD2-CB 3.74Å; C377-N455 PolarHBondContact SG-OD1 2.92Å; L380-N455 HydrophobicContact CD2-CB 4.38Å; M451-N455 PolarHBondContact O-N 3.44Å; F452-N455 PolarHBondContact O-N 3.42Å; N455-K457 PolarHBondContact O-N 3.3Å; N455-L458 PolarHBondContact O-N 3.45Å; N455-N459 PolarHBondContact O-N 2.9Å; N455-N459 PolarHBondContact O-ND2 2.88Å
456	L	98.1	Very high	96.4	Very high	67 Å²	67	61.3 Å²	61.3	35%	0.351	29%	0.287	S	S	.	.	H	α-helix	trans	-54.9	-39.5	172.9	-76.4	168.5	0	0	0	111.5	P330 F452 R453 V454 Q460	P330-L456 HydrophobicContact CB-CD2 4.2Å; P330-L456 HydrophobicContact CG-CD2 3.59Å; P330-L456 HydrophobicContact CG-CG 4.21Å; F452-L456 HydrophobicContact CD1-CD1 3.8Å; F452-L456 HydrophobicContact CD1-CG 4.39Å; F452-L456 HydrophobicContact CE1-CD1 3.71Å; F452-L456 HydrophobicContact CE1-CG 4.28Å; F452-L456 WeakPolarHBondContact O-CG 3.42Å; F452-L456 PolarHBondContact O-N 3.47Å; R453-L456 PolarHBondContact O-N 2.96Å; V454-L456 PolarHBondContact O-N 3.37Å; L456-Q460 VanDerWaalsContact O-CG 3.31Å; L456-Q460 WeakPolarHBondContact O-CG 3.3Å; L456-Q460 PolarHBondContact O-N 3.48Å
457	K	97.9	Very high	96.4	Very high	63 Å²	63	60.8 Å²	60.8	27%	0.274	28%	0.281	S	S	.	.	H	α-helix	trans	-69.9	-42.3	178	-168.4	57.6	173.6	-178.9	0	112.8	L168 R453 V454 N455 N459 Q460 L461 V468	L168-K457 HydrophobicContact CD2-CG 4.25Å; R453-K457 PolarHBondContact O-N 3.38Å; V454-K457 WeakPolarHBondContact O-CA 3.49Å; V454-K457 WeakPolarHBondContact O-CB 3.35Å; V454-K457 PolarHBondContact O-N 3.07Å; V454-K457 VanDerWaalsContact O-N 3.07Å; N455-K457 PolarHBondContact O-N 3.3Å; K457-N459 VanDerWaalsContact C-N 3.35Å; K457-N459 PolarHBondContact O-N 2.89Å; K457-Q460 WeakPolarHBondContact O-CB 3.44Å; K457-Q460 PolarHBondContact O-N 3.24Å; K457-L461 HydrophobicContact CD-CD1 4.38Å; K457-L461 HydrophobicContact CG-CD1 4.09Å; K457-L461 WeakPolarHBondContact O-CG 3.49Å; K457-L461 PolarHBondContact O-N 3.29Å; K457-V468 HydrophobicContact CB-CG2 4.36Å; K457-V468 HydrophobicContact CG-CG2 4.01Å
458	L	98	Very high	96.4	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-44.7	174.4	-71.8	170.4	0	0	0	111.4	Q373 L376 F403 V454 N455 Q460 L461 R462 D467 V468	Q373-L458 HydrophobicContact CB-CD1 4.1Å; Q373-L458 HydrophobicContact CG-CB 4.29Å; Q373-L458 HydrophobicContact CG-CD1 3.92Å; L376-L458 HydrophobicContact CD1-CD1 4Å; F403-L458 HydrophobicContact CE2-CD1 4.49Å; F403-L458 HydrophobicContact CZ-CD1 4.1Å; V454-L458 HydrophobicContact CG1-CD1 4.34Å; V454-L458 WeakPolarHBondContact O-CG 3.36Å; V454-L458 PolarHBondContact O-N 2.89Å; N455-L458 PolarHBondContact O-N 3.45Å; L458-Q460 VanDerWaalsContact C-N 3.33Å; L458-Q460 PolarHBondContact O-N 3.3Å; L458-L461 CarbonylContact O-C 3.49Å; L458-L461 PolarHBondContact O-N 3.23Å; L458-R462 PolarHBondContact O-N 3.28Å; L458-D467 WeakPolarHBondContact CD2-OD1 3.38Å; L458-V468 HydrophobicContact CD2-CB 3.91Å; L458-V468 HydrophobicContact CD2-CG2 3.83Å; L458-V468 HydrophobicContact CG-CG2 4.16Å
459	N	97.6	Very high	96.4	Very high	42 Å²	42	61.1 Å²	61.1	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-38.2	176.2	-80.2	-36.1	0	0	0	112.9	T328 Q373 N455 K457 L461	T328-N459 PolarHBondContact O-ND2 3.41Å; Q373-N459 VanDerWaalsContact NE2-CG 3.34Å; Q373-N459 PolarHBondContact NE2-OD1 2.94Å; N455-N459 PolarHBondContact O-N 2.9Å; N455-N459 PolarHBondContact O-ND2 2.88Å; K457-N459 VanDerWaalsContact C-N 3.35Å; K457-N459 PolarHBondContact O-N 2.89Å; N459-L461 PolarHBondContact O-N 2.96Å
460	Q	96.8	Very high	96.4	Very high	122 Å²	122	58.9 Å²	58.9	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-65.7	-25.3	173	-68.7	166.4	16.4	0	0	113.5	L456 K457 L458	L456-Q460 VanDerWaalsContact O-CG 3.31Å; L456-Q460 WeakPolarHBondContact O-CG 3.3Å; L456-Q460 PolarHBondContact O-N 3.48Å; K457-Q460 WeakPolarHBondContact O-CB 3.44Å; K457-Q460 PolarHBondContact O-N 3.24Å; L458-Q460 VanDerWaalsContact C-N 3.33Å; L458-Q460 PolarHBondContact O-N 3.3Å
461	L	96.4	Very high	96.4	Very high	18 Å²	18	58.9 Å²	58.9	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-101.7	-3.2	-174.6	-67	176.9	0	0	0	114	L168 R171 K457 L458 N459 N463 R464 V468	L168-L461 HydrophobicContact CD2-CD1 3.85Å; R171-L461 PolarHBondContact NH2-O 2.9Å; K457-L461 HydrophobicContact CD-CD1 4.38Å; K457-L461 HydrophobicContact CG-CD1 4.09Å; K457-L461 WeakPolarHBondContact O-CG 3.49Å; K457-L461 PolarHBondContact O-N 3.29Å; L458-L461 CarbonylContact O-C 3.49Å; L458-L461 PolarHBondContact O-N 3.23Å; N459-L461 PolarHBondContact O-N 2.96Å; L461-N463 PolarHBondContact O-N 3.41Å; L461-R464 HydrophobicContact CD2-CB 4.18Å; L461-R464 HydrophobicContact CD2-CG 4.23Å; L461-R464 WeakPolarHBondContact O-CB 3.42Å; L461-R464 PolarHBondContact O-N 3.28Å; L461-V468 HydrophobicContact CD1-CG2 4.35Å
462	R	89.6	Confident	96.3	Very high	124 Å²	124	58.9 Å²	58.9	47%	0.468	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-34.1	-170	-153.2	172	-168.3	170.5	4.9	114.6	R171 L458	R171-R462 PolarHBondContact NH2-O 3Å; L458-R462 PolarHBondContact O-N 3.28Å
463	N	89.4	Confident	96.3	Very high	155 Å²	155	58.1 Å²	58.1	83%	0.829	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	41.8	177.8	-60.1	-34.5	0	0	0	112.6	L461	L461-N463 PolarHBondContact O-N 3.41Å
464	R	91.9	Very high	96.2	Very high	166 Å²	166	54.9 Å²	54.9	63%	0.626	27%	0.266	S	S	*	.	S	Bend	trans	-125.1	157	179	-57.9	-63	-174.5	-179.3	0.8	111.3	R171 L461 N466	R171-R464 PolarHBondContact NE-O 3.12Å; R171-R464 PolarHBondContact NH2-O 2.93Å; L461-R464 HydrophobicContact CD2-CB 4.18Å; L461-R464 HydrophobicContact CD2-CG 4.23Å; L461-R464 WeakPolarHBondContact O-CB 3.42Å; L461-R464 PolarHBondContact O-N 3.28Å; R464-N466 PolarHBondContact O-N 2.82Å
465	D	93	Very high	96.1	Very high	144 Å²	144	58.2 Å²	58.2	77%	0.77	29%	0.289	S	S	*	.	S	Bend	trans	-73.2	-10	177.5	-51.1	-48	0	0	0	113.6	P170 R171	P170-D465 CarbonylContact C-O 3.59Å; P170-D465 WeakPolarHBondContact CA-O 3.47Å; R171-D465 WeakPolarHBondContact CB-O 3.35Å; R171-D465 PolarHBondContact N-O 3.34Å
466	N	95.2	Very high	96	Very high	84 Å²	84	60.3 Å²	60.3	45%	0.449	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.5	171.2	-72.1	-4.7	0	0	0	110.9	G169 R464	G169-N466 CarbonylContact O-C 3.55Å; G169-N466 VanDerWaalsContact O-CA 3.23Å; G169-N466 WeakPolarHBondContact O-CA 3.31Å; R464-N466 PolarHBondContact O-N 2.82Å
467	D	97.3	Very high	96	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.07	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	169.6	177.2	-168.3	22.2	0	0	0	110.8	L168 G169 R171 K372 L458 T469	L168-D467 WeakPolarHBondContact CA-O 3.32Å; G169-D467 PolarHBondContact N-O 3.06Å; G169-D467 PolarHBondContact O-N 2.9Å; R171-D467 HydrophobicContact CB-CB 4.26Å; K372-D467 IonicContact NZ-OD2 3.33Å; K372-D467 PolarHBondContact NZ-OD2 3.14Å; L458-D467 WeakPolarHBondContact CD2-OD1 3.38Å; D467-T469 PolarHBondContact O-N 2.93Å
468	V	97.7	Very high	95.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110.2	169.3	-177.8	0	0	0	0	108.4	L166 V167 L168 K372 F403 V454 K457 L458 L461 E470 V471	L166-V468 HydrophobicContact CD1-CG1 3.95Å; L166-V468 HydrophobicContact CD1-CG2 4.07Å; L166-V468 HydrophobicContact CG-CG1 4.12Å; V167-V468 WeakPolarHBondContact O-CA 3.34Å; L168-V468 HydrophobicContact CD2-CB 4.45Å; L168-V468 HydrophobicContact CD2-CG2 3.82Å; K372-V468 PolarHBondContact NZ-O 2.68Å; F403-V468 HydrophobicContact CD2-CG1 4.24Å; F403-V468 WeakPolarHBondContact CD2-O 3.35Å; F403-V468 HydrophobicContact CE2-CB 4.2Å; F403-V468 HydrophobicContact CE2-CG1 4Å; V454-V468 HydrophobicContact CG1-CG1 4.2Å; K457-V468 HydrophobicContact CB-CG2 4.36Å; K457-V468 HydrophobicContact CG-CG2 4.01Å; L458-V468 HydrophobicContact CD2-CB 3.91Å; L458-V468 HydrophobicContact CD2-CG2 3.83Å; L458-V468 HydrophobicContact CG-CG2 4.16Å; L461-V468 HydrophobicContact CD1-CG2 4.35Å; V468-E470 WeakPolarHBondContact CG1-O 3.45Å; V468-V471 HydrophobicContact CG1-CG1 4.14Å
469	T	96.8	Very high	95.9	Very high	40 Å²	40	63.3 Å²	63.3	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-33.4	-175.8	49.4	0	0	0	0	113	V167 F403 D467	V167-T469 PolarHBondContact O-N 3.12Å; V167-T469 PolarHBondContact O-OG1 3.49Å; F403-T469 WeakPolarHBondContact CB-O 3.43Å; F403-T469 PolarHBondContact N-O 3.25Å; D467-T469 PolarHBondContact O-N 2.93Å
470	E	97.8	Very high	95.8	Very high	43 Å²	43	62.3 Å²	62.3	20%	0.201	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.3	175.5	-65	160.3	-111.5	0	0	110	V167 P402 V468 L474	V167-E470 HydrophobicContact CB-CB 3.9Å; V167-E470 HydrophobicContact CG2-CB 3.87Å; V167-E470 PolarHBondContact N-O 3.22Å; P402-E470 HydrophobicContact CB-CG 3.78Å; V468-E470 WeakPolarHBondContact CG1-O 3.45Å; E470-L474 PolarHBondContact OE2-N 3.41Å
471	V	98.3	Very high	95.8	Very high	1 Å²	1	61 Å²	61	1%	0.006	31%	0.311	C	S	.	.	S	Bend	trans	-107.8	-11.7	170.3	-65.8	0	0	0	0	112.7	F403 L407 L410 Y450 V454 V468	F403-V471 HydrophobicContact CD2-CG1 3.84Å; F403-V471 HydrophobicContact CE2-CG1 3.56Å; F403-V471 HydrophobicContact CZ-CG1 4.23Å; L407-V471 HydrophobicContact CD2-CG2 4.04Å; L407-V471 HydrophobicContact CG-CG2 3.99Å; L410-V471 HydrophobicContact CD1-CG2 4.29Å; Y450-V471 HydrophobicContact CE1-CB 4.49Å; Y450-V471 WeakPolarHBondContact CE1-O 3.44Å; Y450-V471 PolarHBondContact OH-O 3.21Å; V454-V471 HydrophobicContact CG1-CG1 3.83Å; V454-V471 HydrophobicContact CG2-CG1 4.39Å; V468-V471 HydrophobicContact CG1-CG1 4.14Å
472	V	98.1	Very high	95.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-139.9	128.9	170.2	-178	0	0	0	0	104.8	W165 G406 Y409 L410 L474 I476 I477	W165-V472 HydrophobicContact CD2-CG1 4.43Å; W165-V472 HydrophobicContact CE3-CB 4.07Å; W165-V472 HydrophobicContact CE3-CG1 3.86Å; W165-V472 HydrophobicContact CE3-CG2 3.73Å; W165-V472 HydrophobicContact CH2-CG1 4.3Å; W165-V472 HydrophobicContact CZ3-CB 4.27Å; W165-V472 HydrophobicContact CZ3-CG1 3.78Å; W165-V472 HydrophobicContact CZ3-CG2 3.74Å; G406-V472 WeakPolarHBondContact O-CG2 3.41Å; Y409-V472 HydrophobicContact CD1-CG1 3.84Å; Y409-V472 HydrophobicContact CD1-CG2 4.17Å; Y409-V472 HydrophobicContact CE1-CG1 4.19Å; L410-V472 HydrophobicContact CD1-CG2 4.31Å; L410-V472 HydrophobicContact CD2-CG2 4Å; L410-V472 HydrophobicContact CG-CG2 3.81Å; V472-L474 PolarHBondContact O-N 3.39Å; V472-I476 HydrophobicContact CG1-CB 4.11Å; V472-I476 HydrophobicContact CG1-CG2 4.09Å; V472-I477 HydrophobicContact CB-CD1 4.11Å; V472-I477 HydrophobicContact CB-CG1 4.08Å; V472-I477 HydrophobicContact CG1-CD1 4.34Å; V472-I477 HydrophobicContact CG1-CG1 3.76Å
473	P	97.3	Very high	96.2	Very high	28 Å²	28	59 Å²	59	18%	0.182	31%	0.31	C	S	.	.			trans	-56.4	132.9	178.2	-27.3	36.1	0	0	0	111.5	W165 S475 I476 I477	W165-P473 HydrophobicContact CB-CG 4.41Å; W165-P473 HydrophobicContact CG-CG 4.31Å; P473-S475 PolarHBondContact O-N 2.91Å; P473-I476 HydrophobicContact CB-CD1 4.24Å; P473-I476 HydrophobicContact CB-CG1 4.48Å; P473-I476 HydrophobicContact CG-CD1 4Å; P473-I476 PolarHBondContact O-N 2.95Å; P473-I477 PolarHBondContact O-N 2.79Å
474	L	96.3	Very high	96.6	Very high	34 Å²	34	54.4 Å²	54.4	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-53.9	-31.1	-175.9	-175.6	62.2	0	0	0	114	E180 F181 E470 V472 I477 K478	E180-L474 HydrophobicContact CG-CD2 4.04Å; F181-L474 HydrophobicContact CE2-CD1 3.86Å; F181-L474 HydrophobicContact CZ-CD1 3.56Å; E470-L474 PolarHBondContact OE2-N 3.41Å; V472-L474 PolarHBondContact O-N 3.39Å; L474-I477 PolarHBondContact O-N 2.75Å; L474-K478 HydrophobicContact CD1-CD 4.42Å; L474-K478 HydrophobicContact CD1-CG 4.4Å; L474-K478 HydrophobicContact CG-CD 4.15Å; L474-K478 HydrophobicContact CG-CG 4.48Å; L474-K478 WeakPolarHBondContact O-CG 3.4Å; L474-K478 PolarHBondContact O-N 2.65Å
475	S	96.3	Very high	96.9	Very high	72 Å²	72	51.1 Å²	51.1	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-45.7	175.2	57.5	0	0	0	0	112.3	P473 I477 K478 D479	P473-S475 PolarHBondContact O-N 2.91Å; S475-I477 VanDerWaalsContact C-N 3.28Å; S475-I477 PolarHBondContact O-N 3.48Å; S475-K478 PolarHBondContact O-N 3.19Å; S475-K478 VanDerWaalsContact O-N 3.11Å; S475-D479 WeakPolarHBondContact O-CB 3.46Å; S475-D479 PolarHBondContact O-N 3.42Å
476	I	96.3	Very high	97.1	Very high	43 Å²	43	46.1 Å²	46.1	22%	0.221	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-38.8	-179.8	-65	170.2	0	0	0	110.6	W165 Y409 V472 P473 D480	W165-I476 HydrophobicContact CD2-CD1 4.42Å; W165-I476 HydrophobicContact CZ2-CD1 3.89Å; W165-I476 HydrophobicContact CZ2-CG2 4.41Å; Y409-I476 HydrophobicContact CE1-CG2 3.93Å; V472-I476 HydrophobicContact CG1-CB 4.11Å; V472-I476 HydrophobicContact CG1-CG2 4.09Å; P473-I476 HydrophobicContact CB-CD1 4.24Å; P473-I476 HydrophobicContact CB-CG1 4.48Å; P473-I476 HydrophobicContact CG-CD1 4Å; P473-I476 PolarHBondContact O-N 2.95Å; I476-D480 PolarHBondContact O-N 2.89Å
477	I	97.2	Very high	97.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-38.2	177.1	-51.7	177.4	0	0	0	111.2	F181 V405 V472 P473 L474 S475 F483	F181-I477 HydrophobicContact CE1-CG2 3.79Å; F181-I477 HydrophobicContact CZ-CD1 4.31Å; F181-I477 HydrophobicContact CZ-CG2 3.95Å; V405-I477 HydrophobicContact CG1-CG2 4.25Å; V472-I477 HydrophobicContact CB-CD1 4.11Å; V472-I477 HydrophobicContact CB-CG1 4.08Å; V472-I477 HydrophobicContact CG1-CD1 4.34Å; V472-I477 HydrophobicContact CG1-CG1 3.76Å; P473-I477 PolarHBondContact O-N 2.79Å; L474-I477 PolarHBondContact O-N 2.75Å; S475-I477 VanDerWaalsContact C-N 3.28Å; S475-I477 PolarHBondContact O-N 3.48Å; I477-F483 HydrophobicContact CG2-CD1 3.81Å; I477-F483 HydrophobicContact CG2-CE1 3.66Å
478	K	97.2	Very high	97.4	Very high	71 Å²	71	42.3 Å²	42.3	31%	0.309	23%	0.225	S	C	.	.	H	α-helix	trans	-78.4	-27.3	-179.3	-75.4	-175.9	174.1	-177.7	0	113.8	E180 L474 S475 D480 Y484	E180-K478 WeakPolarHBondContact OE2-CE 3.27Å; E180-K478 IonicContact OE2-NZ 3.46Å; E180-K478 PolarHBondContact OE2-NZ 2.69Å; L474-K478 HydrophobicContact CD1-CD 4.42Å; L474-K478 HydrophobicContact CD1-CG 4.4Å; L474-K478 HydrophobicContact CG-CD 4.15Å; L474-K478 HydrophobicContact CG-CG 4.48Å; L474-K478 WeakPolarHBondContact O-CG 3.4Å; L474-K478 PolarHBondContact O-N 2.65Å; S475-K478 PolarHBondContact O-N 3.19Å; S475-K478 VanDerWaalsContact O-N 3.11Å; K478-D480 VanDerWaalsContact C-N 3.31Å; K478-Y484 HydrophobicContact CD-CE2 4.32Å; K478-Y484 HydrophobicContact CG-CD2 3.77Å; K478-Y484 HydrophobicContact CG-CE2 3.73Å; K478-Y484 HydrophobicContact CG-CG 4.44Å
479	D	96.7	Very high	97.4	Very high	130 Å²	130	45.9 Å²	45.9	70%	0.695	24%	0.244	S	C	*	.	H	α-helix	trans	-69.3	-29.7	175.5	-69.4	-25.2	0	0	0	111.4	S475 T481	S475-D479 WeakPolarHBondContact O-CB 3.46Å; S475-D479 PolarHBondContact O-N 3.42Å; D479-T481 PolarHBondContact O-N 2.84Å; D479-T481 VanDerWaalsContact O-N 3.13Å
480	D	96.8	Very high	97.4	Very high	21 Å²	21	45 Å²	45	11%	0.112	24%	0.239	C	C	.	.			trans	-79.7	83.2	163.4	-170.3	-26.5	0	0	0	110.3	Y409 Y412 I476 K478 D482 F483 Y484	Y409-D480 HydrophobicContact CE2-CB 4.09Å; Y412-D480 VanDerWaalsContact CE1-OD2 3.27Å; Y412-D480 WeakPolarHBondContact CE1-OD2 3.12Å; Y412-D480 PolarHBondContact OH-OD2 2.93Å; I476-D480 PolarHBondContact O-N 2.89Å; K478-D480 VanDerWaalsContact C-N 3.31Å; D480-D482 PolarHBondContact O-N 2.91Å; D480-D482 PolarHBondContact OD1-N 3.45Å; D480-F483 HydrophobicContact CB-CB 4.1Å; D480-F483 VanDerWaalsContact CG-CB 3.46Å; D480-F483 PolarHBondContact O-N 2.97Å; D480-F483 WeakPolarHBondContact OD1-CB 3.35Å; D480-F483 PolarHBondContact OD1-N 2.88Å; D480-Y484 VanDerWaalsContact O-CB 3.27Å; D480-Y484 WeakPolarHBondContact O-CB 3.46Å; D480-Y484 PolarHBondContact O-N 2.91Å
481	T	96.4	Very high	97.5	Very high	93 Å²	93	43 Å²	43	57%	0.571	23%	0.23	S	C	*	.	H	α-helix	trans	-61	-29.9	-177.3	57	0	0	0	0	113.6	D479 Q485	D479-T481 PolarHBondContact O-N 2.84Å; D479-T481 VanDerWaalsContact O-N 3.13Å; T481-Q485 VanDerWaalsContact O-CB 3.25Å; T481-Q485 WeakPolarHBondContact O-CB 3.42Å; T481-Q485 PolarHBondContact O-N 3.1Å
482	D	96.1	Very high	97.5	Very high	100 Å²	100	45 Å²	45	54%	0.535	24%	0.239	S	C	.	.	H	α-helix	trans	-73.9	-44.9	-177.7	-88.1	3.4	0	0	0	110.7	P150 D480 F486	P150-D482 HydrophobicContact CB-CB 4.32Å; P150-D482 HydrophobicContact CG-CB 4.06Å; D480-D482 PolarHBondContact O-N 2.91Å; D480-D482 PolarHBondContact OD1-N 3.45Å; D482-F486 WeakPolarHBondContact O-CB 3.31Å; D482-F486 PolarHBondContact O-N 3.44Å
483	F	98	Very high	97.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-47.9	170.2	177.7	-88.7	0	0	0	111.7	F149 V405 V408 Y409 Y412 I477 D480 Q485 F486 M487	F149-F483 AromaticContact CD1-CD2 3.58Å; F149-F483 HydrophobicContact CD1-CD2 3.58Å; F149-F483 AromaticContact CD1-CE2 3.91Å; F149-F483 HydrophobicContact CD1-CE2 3.91Å; F149-F483 HydrophobicContact CD1-CG 4.43Å; F149-F483 AromaticContact CE1-CD2 3.48Å; F149-F483 HydrophobicContact CE1-CD2 3.48Å; F149-F483 VanDerWaalsContact CE1-CD2 3.48Å; F149-F483 AromaticContact CE1-CE2 3.41Å; F149-F483 HydrophobicContact CE1-CE2 3.41Å; F149-F483 VanDerWaalsContact CE1-CE2 3.41Å; F149-F483 HydrophobicContact CE1-CG 4.27Å; F149-F483 HydrophobicContact CE1-CZ 4.15Å; F149-F483 HydrophobicContact CZ-CE2 4.17Å; V405-F483 HydrophobicContact CG1-CE1 3.81Å; V405-F483 HydrophobicContact CG1-CZ 4.17Å; V408-F483 HydrophobicContact CB-CZ 4.34Å; V408-F483 HydrophobicContact CG1-CE2 4.02Å; V408-F483 HydrophobicContact CG1-CZ 3.93Å; Y409-F483 HydrophobicContact CD2-CB 4.42Å; Y409-F483 AromaticContact CD2-CD1 3.63Å; Y409-F483 HydrophobicContact CD2-CD1 3.63Å; Y409-F483 AromaticContact CD2-CD2 3.82Å; Y409-F483 HydrophobicContact CD2-CD2 3.82Å; Y409-F483 AromaticContact CD2-CE1 3.75Å; Y409-F483 HydrophobicContact CD2-CE1 3.75Å; Y409-F483 AromaticContact CD2-CE2 3.94Å; Y409-F483 HydrophobicContact CD2-CE2 3.94Å; Y409-F483 AromaticContact CD2-CG 3.68Å; Y409-F483 HydrophobicContact CD2-CG 3.68Å; Y409-F483 AromaticContact CD2-CZ 3.91Å; Y409-F483 HydrophobicContact CD2-CZ 3.91Å; Y409-F483 HydrophobicContact CE2-CB 4.37Å; Y409-F483 HydrophobicContact CE2-CD1 4.25Å; Y409-F483 HydrophobicContact CE2-CD2 4.47Å; Y409-F483 HydrophobicContact CE2-CG 4.11Å; Y409-F483 HydrophobicContact CG-CE1 4.3Å; Y409-F483 HydrophobicContact CG-CZ 4.33Å; Y412-F483 AromaticContact CD1-CD2 3.85Å; Y412-F483 HydrophobicContact CD1-CD2 3.85Å; Y412-F483 HydrophobicContact CD1-CE2 4.44Å; Y412-F483 AromaticContact CD2-CD2 3.87Å; Y412-F483 HydrophobicContact CD2-CD2 3.87Å; Y412-F483 HydrophobicContact CD2-CE2 4.43Å; Y412-F483 HydrophobicContact CE1-CB 4.28Å; Y412-F483 HydrophobicContact CE1-CD2 4.2Å; Y412-F483 HydrophobicContact CE2-CD2 4.2Å; Y412-F483 AromaticContact CG-CD2 3.67Å; Y412-F483 HydrophobicContact CG-CD2 3.67Å; Y412-F483 HydrophobicContact CG-CE2 4.04Å; I477-F483 HydrophobicContact CG2-CD1 3.81Å; I477-F483 HydrophobicContact CG2-CE1 3.66Å; D480-F483 HydrophobicContact CB-CB 4.1Å; D480-F483 VanDerWaalsContact CG-CB 3.46Å; D480-F483 PolarHBondContact O-N 2.97Å; D480-F483 WeakPolarHBondContact OD1-CB 3.35Å; D480-F483 PolarHBondContact OD1-N 2.88Å; F483-Q485 PolarHBondContact O-N 2.83Å; F483-F486 PolarHBondContact O-N 3.38Å; F483-M487 HydrophobicContact CD1-CG 4.05Å; F483-M487 HydrophobicContact CE1-CG 3.46Å; F483-M487 VanDerWaalsContact CE1-CG 3.46Å; F483-M487 HydrophobicContact CE1-SD 4.48Å; F483-M487 HydrophobicContact CE2-CG 4.28Å; F483-M487 HydrophobicContact CZ-CG 3.59Å; F483-M487 HydrophobicContact CZ-SD 4.06Å; F483-M487 PolarHBondContact O-N 3Å
484	Y	98.1	Very high	97.3	Very high	59 Å²	59	47.9 Å²	47.9	23%	0.231	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-50.2	-177.4	178.6	-102.2	0	0	0	111.9	E180 F181 K478 D480 F486 M487 V488	E180-Y484 WeakPolarHBondContact O-CE2 3.43Å; E180-Y484 PolarHBondContact O-OH 3.08Å; E180-Y484 VanDerWaalsContact O-OH 3.07Å; F181-Y484 AromaticContact CD1-CD2 3.92Å; F181-Y484 HydrophobicContact CD1-CD2 3.92Å; F181-Y484 AromaticContact CD1-CE2 3.77Å; F181-Y484 HydrophobicContact CD1-CE2 3.77Å; F181-Y484 AromaticContact CE1-CD2 3.64Å; F181-Y484 HydrophobicContact CE1-CD2 3.64Å; F181-Y484 AromaticContact CE1-CE2 3.73Å; F181-Y484 HydrophobicContact CE1-CE2 3.73Å; K478-Y484 HydrophobicContact CD-CE2 4.32Å; K478-Y484 HydrophobicContact CG-CD2 3.77Å; K478-Y484 HydrophobicContact CG-CE2 3.73Å; K478-Y484 HydrophobicContact CG-CG 4.44Å; D480-Y484 VanDerWaalsContact O-CB 3.27Å; D480-Y484 WeakPolarHBondContact O-CB 3.46Å; D480-Y484 PolarHBondContact O-N 2.91Å; Y484-F486 VanDerWaalsContact C-N 3.32Å; Y484-F486 PolarHBondContact O-N 3.13Å; Y484-M487 WeakPolarHBondContact O-CB 3.42Å; Y484-M487 PolarHBondContact O-N 2.91Å; Y484-V488 HydrophobicContact CD1-CG2 4.41Å; Y484-V488 HydrophobicContact CE1-CG2 3.97Å; Y484-V488 HydrophobicContact CE2-CG2 4.21Å; Y484-V488 WeakPolarHBondContact O-CG2 3.32Å; Y484-V488 PolarHBondContact O-N 3.25Å
485	Q	97.8	Very high	97.3	Very high	98 Å²	98	46.3 Å²	46.3	46%	0.458	25%	0.25	S	S	.	.	H	α-helix	trans	-65.9	-35.8	-179.7	-169.4	64.1	62.8	0	0	111.7	T481 F483 N489	T481-Q485 VanDerWaalsContact O-CB 3.25Å; T481-Q485 WeakPolarHBondContact O-CB 3.42Å; T481-Q485 PolarHBondContact O-N 3.1Å; F483-Q485 PolarHBondContact O-N 2.83Å; Q485-N489 PolarHBondContact NE2-OD1 3.36Å; Q485-N489 VanDerWaalsContact O-CB 3.31Å; Q485-N489 WeakPolarHBondContact O-CB 3.42Å; Q485-N489 PolarHBondContact O-N 2.95Å; Q485-N489 PolarHBondContact O-ND2 2.97Å; Q485-N489 PolarHBondContact O-OD1 3.08Å
486	F	98.3	Very high	97.2	Very high	38 Å²	38	46.1 Å²	46.1	17%	0.167	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-44.1	173.5	-169.6	-76	0	0	0	111.5	D147 W148 F149 D482 F483 Y484 N489 S490	D147-F486 HydrophobicContact CB-CE2 4.26Å; D147-F486 HydrophobicContact CB-CZ 4.17Å; W148-F486 VanDerWaalsContact C-CE2 3.47Å; W148-F486 WeakPolarHBondContact O-CE2 3.3Å; F149-F486 HydrophobicContact CD1-CB 3.96Å; F149-F486 AromaticContact CD1-CD1 3.59Å; F149-F486 HydrophobicContact CD1-CD1 3.59Å; F149-F486 HydrophobicContact CD1-CE1 4.29Å; F149-F486 AromaticContact CD1-CG 3.82Å; F149-F486 HydrophobicContact CD1-CG 3.82Å; F149-F486 AromaticContact CD2-CD1 3.62Å; F149-F486 HydrophobicContact CD2-CD1 3.62Å; F149-F486 AromaticContact CD2-CE1 3.43Å; F149-F486 HydrophobicContact CD2-CE1 3.43Å; F149-F486 VanDerWaalsContact CD2-CE1 3.43Å; F149-F486 HydrophobicContact CD2-CG 4.33Å; F149-F486 HydrophobicContact CD2-CZ 4.01Å; F149-F486 HydrophobicContact CE1-CB 4.08Å; F149-F486 AromaticContact CE1-CD1 3.4Å; F149-F486 HydrophobicContact CE1-CD1 3.4Å; F149-F486 HydrophobicContact CE1-CE1 4.16Å; F149-F486 AromaticContact CE1-CG 3.99Å; F149-F486 HydrophobicContact CE1-CG 3.99Å; F149-F486 AromaticContact CE2-CD1 3.44Å; F149-F486 HydrophobicContact CE2-CD1 3.44Å; F149-F486 VanDerWaalsContact CE2-CD1 3.44Å; F149-F486 AromaticContact CE2-CE1 3.29Å; F149-F486 HydrophobicContact CE2-CE1 3.29Å; F149-F486 HydrophobicContact CE2-CG 4.5Å; F149-F486 HydrophobicContact CE2-CZ 4.26Å; F149-F486 AromaticContact CG-CD1 3.72Å; F149-F486 HydrophobicContact CG-CD1 3.72Å; F149-F486 AromaticContact CG-CE1 3.97Å; F149-F486 HydrophobicContact CG-CE1 3.97Å; F149-F486 HydrophobicContact CG-CG 4.01Å; F149-F486 HydrophobicContact CG-CZ 4.47Å; F149-F486 AromaticContact CZ-CD1 3.34Å; F149-F486 HydrophobicContact CZ-CD1 3.34Å; F149-F486 AromaticContact CZ-CE1 3.69Å; F149-F486 HydrophobicContact CZ-CE1 3.69Å; F149-F486 HydrophobicContact CZ-CG 4.35Å; D482-F486 WeakPolarHBondContact O-CB 3.31Å; D482-F486 PolarHBondContact O-N 3.44Å; F483-F486 PolarHBondContact O-N 3.38Å; Y484-F486 VanDerWaalsContact C-N 3.32Å; Y484-F486 PolarHBondContact O-N 3.13Å; F486-N489 PolarHBondContact O-N 3.23Å; F486-S490 VanDerWaalsContact O-CB 3.27Å; F486-S490 WeakPolarHBondContact O-CB 3.49Å; F486-S490 PolarHBondContact O-N 2.78Å
487	M	98.5	Very high	97.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59	-49.6	177	-83.6	-58.8	-42.6	0	0	112.2	F149 F181 L399 V405 V408 L420 F483 Y484 S490 N491	F149-M487 HydrophobicContact CE1-CG 4Å; F149-M487 HydrophobicContact CE1-SD 4.01Å; F149-M487 HydrophobicContact CZ-CG 4.23Å; F149-M487 HydrophobicContact CZ-SD 3.63Å; F181-M487 HydrophobicContact CD1-CB 4.19Å; L399-M487 HydrophobicContact CB-CE 4.2Å; L399-M487 HydrophobicContact CD1-CE 4.37Å; V405-M487 HydrophobicContact CB-CE 4.42Å; V405-M487 HydrophobicContact CG1-CB 4.46Å; V405-M487 HydrophobicContact CG1-CE 3.98Å; V405-M487 HydrophobicContact CG1-CG 3.79Å; V405-M487 HydrophobicContact CG1-SD 4.13Å; V405-M487 HydrophobicContact CG2-CE 3.73Å; V408-M487 HydrophobicContact CG1-SD 3.95Å; L420-M487 HydrophobicContact CD1-CE 4.09Å; L420-M487 HydrophobicContact CD1-SD 3.79Å; F483-M487 HydrophobicContact CD1-CG 4.05Å; F483-M487 HydrophobicContact CE1-CG 3.46Å; F483-M487 VanDerWaalsContact CE1-CG 3.46Å; F483-M487 HydrophobicContact CE1-SD 4.48Å; F483-M487 HydrophobicContact CE2-CG 4.28Å; F483-M487 HydrophobicContact CZ-CG 3.59Å; F483-M487 HydrophobicContact CZ-SD 4.06Å; F483-M487 PolarHBondContact O-N 3Å; Y484-M487 WeakPolarHBondContact O-CB 3.42Å; Y484-M487 PolarHBondContact O-N 2.91Å; M487-S490 PolarHBondContact O-N 2.94Å; M487-N491 WeakPolarHBondContact O-CB 3.25Å; M487-N491 PolarHBondContact O-N 2.99Å
488	V	98.4	Very high	97	Very high	17 Å²	17	47.6 Å²	47.6	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-54.5	176.1	174.9	0	0	0	0	109.9	Y484 S490 N491 E492	Y484-V488 HydrophobicContact CD1-CG2 4.41Å; Y484-V488 HydrophobicContact CE1-CG2 3.97Å; Y484-V488 HydrophobicContact CE2-CG2 4.21Å; Y484-V488 WeakPolarHBondContact O-CG2 3.32Å; Y484-V488 PolarHBondContact O-N 3.25Å; V488-S490 VanDerWaalsContact C-N 3.29Å; V488-S490 PolarHBondContact O-N 3Å; V488-N491 PolarHBondContact O-N 2.99Å; V488-N491 VanDerWaalsContact O-N 3.13Å; V488-E492 HydrophobicContact CG1-CG 4.24Å; V488-E492 WeakPolarHBondContact O-CG 3.36Å; V488-E492 PolarHBondContact O-N 2.58Å
489	N	98.2	Very high	96.9	Very high	76 Å²	76	44.7 Å²	44.7	41%	0.406	25%	0.245	S	C	.	.	H	α-helix	trans	-57.7	-39.6	-179.2	-67.8	-7.2	0	0	0	112.5	Q485 F486 S493	Q485-N489 PolarHBondContact NE2-OD1 3.36Å; Q485-N489 VanDerWaalsContact O-CB 3.31Å; Q485-N489 WeakPolarHBondContact O-CB 3.42Å; Q485-N489 PolarHBondContact O-N 2.95Å; Q485-N489 PolarHBondContact O-ND2 2.97Å; Q485-N489 PolarHBondContact O-OD1 3.08Å; F486-N489 PolarHBondContact O-N 3.23Å; N489-S493 WeakPolarHBondContact O-CB 3.38Å; N489-S493 PolarHBondContact O-N 3.24Å; N489-S493 PolarHBondContact O-OG 3.36Å
490	S	98.2	Very high	96.8	Very high	21 Å²	21	40.7 Å²	40.7	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-70.9	-35.3	179.3	-171	0	0	0	0	112.8	R433 F486 M487 V488 L494	R433-S490 PolarHBondContact NH1-O 3.04Å; F486-S490 VanDerWaalsContact O-CB 3.27Å; F486-S490 WeakPolarHBondContact O-CB 3.49Å; F486-S490 PolarHBondContact O-N 2.78Å; M487-S490 PolarHBondContact O-N 2.94Å; V488-S490 VanDerWaalsContact C-N 3.29Å; V488-S490 PolarHBondContact O-N 3Å; S490-L494 PolarHBondContact O-N 2.75Å
491	N	98.4	Very high	96.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.7	-53.9	173.4	-84.6	-18.8	0	0	0	111.1	F181 C182 L399 F400 R433 M487 V488 S493 L494 C495	F181-N491 VanDerWaalsContact O-CB 3.28Å; F181-N491 WeakPolarHBondContact O-CB 3.44Å; F181-N491 PolarHBondContact O-ND2 2.83Å; C182-N491 HydrophobicContact CB-CB 4.49Å; L399-N491 PolarHBondContact O-ND2 3.09Å; F400-N491 HydrophobicContact CE1-CB 4.19Å; R433-N491 PolarHBondContact NH2-OD1 3.44Å; M487-N491 WeakPolarHBondContact O-CB 3.25Å; M487-N491 PolarHBondContact O-N 2.99Å; V488-N491 PolarHBondContact O-N 2.99Å; V488-N491 VanDerWaalsContact O-N 3.13Å; N491-S493 PolarHBondContact O-N 3.26Å; N491-L494 PolarHBondContact O-N 3.4Å; N491-L494 VanDerWaalsContact O-N 3.15Å; N491-C495 PolarHBondContact O-N 2.99Å; N491-C495 PolarHBondContact O-SG 2.64Å
492	E	98	Very high	96.5	Very high	45 Å²	45	36 Å²	36	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-42	-176.7	-63.3	-167	145.9	0	0	112.4	T183 L186 V488 L494 C495 V496	T183-E492 VanDerWaalsContact CB-OE1 3.26Å; T183-E492 WeakPolarHBondContact CB-OE1 3.33Å; T183-E492 WeakPolarHBondContact CG2-OE1 3.24Å; T183-E492 PolarHBondContact N-OE1 2.82Å; T183-E492 PolarHBondContact OG1-OE1 3.12Å; L186-E492 HydrophobicContact CD2-CB 3.59Å; L186-E492 HydrophobicContact CD2-CG 3.79Å; V488-E492 HydrophobicContact CG1-CG 4.24Å; V488-E492 WeakPolarHBondContact O-CG 3.36Å; V488-E492 PolarHBondContact O-N 2.58Å; E492-L494 VanDerWaalsContact C-N 3.29Å; E492-L494 PolarHBondContact O-N 2.56Å; E492-C495 WeakPolarHBondContact O-CB 3.42Å; E492-C495 PolarHBondContact O-N 3.03Å; E492-C495 VanDerWaalsContact O-N 3.15Å; E492-V496 WeakPolarHBondContact O-CG2 3.21Å; E492-V496 PolarHBondContact O-N 3.45Å
493	S	96.1	Very high	96.3	Very high	74 Å²	74	31.4 Å²	31.4	52%	0.517	17%	0.17	S	C	.	.	H	α-helix	trans	-59.2	-40.2	175.4	-61.4	0	0	0	0	112	N489 N491 V497	N489-S493 WeakPolarHBondContact O-CB 3.38Å; N489-S493 PolarHBondContact O-N 3.24Å; N489-S493 PolarHBondContact O-OG 3.36Å; N491-S493 PolarHBondContact O-N 3.26Å; S493-V497 WeakPolarHBondContact O-CG2 2.95Å; S493-V497 PolarHBondContact O-N 3.03Å
494	L	96	Very high	96.1	Very high	14 Å²	14	31.6 Å²	31.6	7%	0.073	17%	0.171	C	C	.	.	H	α-helix	trans	-72.3	-38	175.8	-176	59.8	0	0	0	111.9	K422 R433 S490 N491 E492 V496 V497 Q498	K422-L494 HydrophobicContact CD-CD1 3.39Å; K422-L494 HydrophobicContact CD-CD2 4.45Å; R433-L494 HydrophobicContact CB-CD2 4.42Å; S490-L494 PolarHBondContact O-N 2.75Å; N491-L494 PolarHBondContact O-N 3.4Å; N491-L494 VanDerWaalsContact O-N 3.15Å; E492-L494 VanDerWaalsContact C-N 3.29Å; E492-L494 PolarHBondContact O-N 2.56Å; L494-V496 VanDerWaalsContact C-N 3.33Å; L494-V496 PolarHBondContact O-N 3.32Å; L494-V497 PolarHBondContact O-N 2.71Å; L494-Q498 HydrophobicContact CD1-CG 4.11Å; L494-Q498 HydrophobicContact CG-CG 4.16Å; L494-Q498 WeakPolarHBondContact O-CB 3.16Å; L494-Q498 WeakPolarHBondContact O-CG 3.44Å; L494-Q498 PolarHBondContact O-N 2.82Å
495	C	96.3	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.4	-47.2	174.5	-67.4	0	0	0	0	111.3	L186 L190 F400 N491 E492 V497 Q498 I499	L186-C495 HydrophobicContact CD1-CB 4.2Å; L186-C495 HydrophobicContact CD2-CB 3.7Å; L186-C495 HydrophobicContact CG-CB 3.66Å; L190-C495 HydrophobicContact CD2-CB 4.34Å; F400-C495 VanDerWaalsContact CZ-SG 3.59Å; N491-C495 PolarHBondContact O-N 2.99Å; N491-C495 PolarHBondContact O-SG 2.64Å; E492-C495 WeakPolarHBondContact O-CB 3.42Å; E492-C495 PolarHBondContact O-N 3.03Å; E492-C495 VanDerWaalsContact O-N 3.15Å; C495-V497 PolarHBondContact O-N 2.87Å; C495-Q498 PolarHBondContact O-N 2.65Å; C495-I499 WeakPolarHBondContact O-CB 3.35Å; C495-I499 WeakPolarHBondContact O-CD1 3.43Å; C495-I499 WeakPolarHBondContact O-CG1 3.41Å; C495-I499 PolarHBondContact O-N 3.37Å
496	V	95.1	Very high	95.4	Very high	68 Å²	68	25.2 Å²	25.2	41%	0.412	14%	0.143	S	C	.	.	H	α-helix	trans	-59	-46	177.3	172.7	0	0	0	0	111.6	L186 E492 L494 I499 K500	L186-V496 HydrophobicContact CD1-CG2 3.97Å; L186-V496 HydrophobicContact CD2-CG2 4.35Å; E492-V496 WeakPolarHBondContact O-CG2 3.21Å; E492-V496 PolarHBondContact O-N 3.45Å; L494-V496 VanDerWaalsContact C-N 3.33Å; L494-V496 PolarHBondContact O-N 3.32Å; V496-I499 PolarHBondContact O-N 3.02Å; V496-K500 PolarHBondContact O-N 3.36Å
497	V	94.1	Very high	95.1	Very high	74 Å²	74	24.3 Å²	24.3	45%	0.448	14%	0.142	S	C	.	.	H	α-helix	trans	-64	-44.4	177.5	171.6	0	0	0	0	111.6	S493 L494 C495 K500 A501	S493-V497 WeakPolarHBondContact O-CG2 2.95Å; S493-V497 PolarHBondContact O-N 3.03Å; L494-V497 PolarHBondContact O-N 2.71Å; C495-V497 PolarHBondContact O-N 2.87Å; V497-K500 PolarHBondContact O-N 2.77Å; V497-A501 VanDerWaalsContact O-CB 3.27Å; V497-A501 WeakPolarHBondContact O-CB 3.26Å; V497-A501 PolarHBondContact O-N 3.35Å
498	Q	95	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-44.1	176.8	-76.2	-173.5	50	0	0	111.7	L190 S431 L494 C495 A501 L502	L190-Q498 HydrophobicContact CD1-CB 3.63Å; S431-Q498 PolarHBondContact OG-OE1 2.99Å; L494-Q498 HydrophobicContact CD1-CG 4.11Å; L494-Q498 HydrophobicContact CG-CG 4.16Å; L494-Q498 WeakPolarHBondContact O-CB 3.16Å; L494-Q498 WeakPolarHBondContact O-CG 3.44Å; L494-Q498 PolarHBondContact O-N 2.82Å; C495-Q498 PolarHBondContact O-N 2.65Å; Q498-A501 PolarHBondContact O-N 2.94Å; Q498-L502 WeakPolarHBondContact O-CB 3.32Å; Q498-L502 VanDerWaalsContact O-CG 3.23Å; Q498-L502 WeakPolarHBondContact O-CG 3.33Å; Q498-L502 PolarHBondContact O-N 3.17Å
499	I	94.3	Very high	94.4	Very high	11 Å²	11	24.6 Å²	24.6	6%	0.056	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-48.6	178.3	-73.3	160.6	0	0	0	110.5	V132 L186 T189 L190 C495 V496 A501 L502 A503	V132-I499 HydrophobicContact CB-CG2 4.48Å; V132-I499 HydrophobicContact CG1-CG2 3.78Å; V132-I499 HydrophobicContact CG2-CG2 3.86Å; L186-I499 HydrophobicContact CD1-CD1 3.59Å; L186-I499 HydrophobicContact CG-CD1 4.4Å; T189-I499 HydrophobicContact CG2-CD1 3.8Å; T189-I499 HydrophobicContact CG2-CG1 4.23Å; T189-I499 HydrophobicContact CG2-CG2 4.17Å; L190-I499 HydrophobicContact CB-CD1 4.07Å; L190-I499 HydrophobicContact CB-CG1 4.03Å; L190-I499 HydrophobicContact CD1-CG1 4.02Å; C495-I499 WeakPolarHBondContact O-CB 3.35Å; C495-I499 WeakPolarHBondContact O-CD1 3.43Å; C495-I499 WeakPolarHBondContact O-CG1 3.41Å; C495-I499 PolarHBondContact O-N 3.37Å; V496-I499 PolarHBondContact O-N 3.02Å; I499-A501 PolarHBondContact O-N 3.31Å; I499-L502 PolarHBondContact O-N 3.47Å; I499-A503 WeakPolarHBondContact O-CB 3.45Å; I499-A503 PolarHBondContact O-N 3.12Å
500	K	94.4	Very high	93.8	Very high	46 Å²	46	25.2 Å²	25.2	20%	0.2	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-44.1	174.6	-71.9	-166	178.5	-164.8	0	111.4	V132 D133 W134 D136 V496 V497 A503 K504	V132-K500 HydrophobicContact CG1-CG 4.33Å; D133-K500 WeakPolarHBondContact O-CE 3.42Å; W134-K500 HydrophobicContact CB-CB 4.39Å; W134-K500 WeakPolarHBondContact CB-O 3.4Å; D136-K500 PolarHBondContact O-NZ 3.34Å; D136-K500 IonicContact OD2-NZ 2.72Å; D136-K500 PolarHBondContact OD2-NZ 2.81Å; V496-K500 PolarHBondContact O-N 3.36Å; V497-K500 PolarHBondContact O-N 2.77Å; K500-A503 PolarHBondContact O-N 3.14Å; K500-K504 WeakPolarHBondContact O-CB 3.49Å; K500-K504 PolarHBondContact O-N 2.68Å
501	A	94.5	Very high	93.4	Very high	9 Å²	9	26.8 Å²	26.8	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-37	-180	0	0	0	0	0	113.6	P428 A429 V497 Q498 I499 K504 I505	P428-A501 HydrophobicContact CB-CB 3.83Å; P428-A501 HydrophobicContact CG-CB 4.23Å; A429-A501 HydrophobicContact CB-CB 3.82Å; V497-A501 VanDerWaalsContact O-CB 3.27Å; V497-A501 WeakPolarHBondContact O-CB 3.26Å; V497-A501 PolarHBondContact O-N 3.35Å; Q498-A501 PolarHBondContact O-N 2.94Å; I499-A501 PolarHBondContact O-N 3.31Å; A501-K504 PolarHBondContact O-N 3.15Å; A501-I505 WeakPolarHBondContact O-CG1 3.48Å; A501-I505 PolarHBondContact O-N 2.79Å
502	L	92.8	Very high	93	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-47.5	173.6	-73.4	164.4	0	0	0	110.5	L190 C193 K194 F197 A429 Q498 I499 K504 I505 H506	L190-L502 HydrophobicContact CD1-CD1 3.91Å; C193-L502 HydrophobicContact CB-CB 4.09Å; C193-L502 HydrophobicContact CB-CD1 3.78Å; K194-L502 HydrophobicContact CG-CD1 3.94Å; F197-L502 HydrophobicContact CD2-CD2 3.93Å; F197-L502 HydrophobicContact CE2-CB 4.08Å; F197-L502 HydrophobicContact CE2-CD2 3.63Å; F197-L502 HydrophobicContact CE2-CG 4.46Å; F197-L502 HydrophobicContact CZ-CD2 4.45Å; F197-L502 WeakPolarHBondContact CZ-O 3.4Å; A429-L502 HydrophobicContact CB-CD2 4.03Å; A429-L502 HydrophobicContact CB-CG 4.13Å; Q498-L502 WeakPolarHBondContact O-CB 3.32Å; Q498-L502 VanDerWaalsContact O-CG 3.23Å; Q498-L502 WeakPolarHBondContact O-CG 3.33Å; Q498-L502 PolarHBondContact O-N 3.17Å; I499-L502 PolarHBondContact O-N 3.47Å; L502-K504 VanDerWaalsContact C-N 3.28Å; L502-K504 PolarHBondContact O-N 2.74Å; L502-I505 PolarHBondContact O-N 2.92Å; L502-I505 VanDerWaalsContact O-N 3.15Å; L502-H506 PolarHBondContact O-N 3.15Å
503	A	91.8	Very high	92.8	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-38	174.3	0	0	0	0	0	112.4	L130 V132 W134 I499 K500 H506 A507	L130-A503 HydrophobicContact CD1-CB 4.46Å; V132-A503 HydrophobicContact CB-CB 3.84Å; V132-A503 HydrophobicContact CG1-CB 3.81Å; W134-A503 HydrophobicContact CB-CB 4.45Å; I499-A503 WeakPolarHBondContact O-CB 3.45Å; I499-A503 PolarHBondContact O-N 3.12Å; K500-A503 PolarHBondContact O-N 3.14Å; A503-H506 WeakPolarHBondContact O-CB 3.43Å; A503-H506 PolarHBondContact O-N 2.82Å; A503-A507 PolarHBondContact O-N 3.24Å
504	K	93.8	Very high	92.7	Very high	5 Å²	5	31.1 Å²	31.1	2%	0.022	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-45.7	172.8	-171.3	177.3	-179.1	175.2	0	112.1	W134 E137 S212 K500 A501 L502 H506 A507 Y508 E516	W134-K504 HydrophobicContact CB-CB 4.06Å; W134-K504 HydrophobicContact CD2-CB 3.92Å; W134-K504 HydrophobicContact CD2-CG 3.9Å; W134-K504 HydrophobicContact CE3-CB 4.07Å; W134-K504 HydrophobicContact CE3-CD 3.85Å; W134-K504 HydrophobicContact CE3-CG 3.61Å; W134-K504 HydrophobicContact CG-CB 3.93Å; W134-K504 HydrophobicContact CG-CG 4.44Å; W134-K504 HydrophobicContact CZ3-CD 4.2Å; W134-K504 HydrophobicContact CZ3-CG 3.96Å; E137-K504 WeakPolarHBondContact OE1-CD 3.43Å; E137-K504 VanDerWaalsContact OE1-CE 3.27Å; E137-K504 WeakPolarHBondContact OE1-CE 3.47Å; E137-K504 IonicContact OE1-NZ 3.65Å; E137-K504 PolarHBondContact OE1-NZ 3.03Å; E137-K504 IonicContact OE2-NZ 2.91Å; E137-K504 PolarHBondContact OE2-NZ 2.82Å; S212-K504 VanDerWaalsContact O-CE 3.26Å; S212-K504 WeakPolarHBondContact O-CE 3.43Å; S212-K504 PolarHBondContact O-NZ 2.98Å; K500-K504 WeakPolarHBondContact O-CB 3.49Å; K500-K504 PolarHBondContact O-N 2.68Å; A501-K504 PolarHBondContact O-N 3.15Å; L502-K504 VanDerWaalsContact C-N 3.28Å; L502-K504 PolarHBondContact O-N 2.74Å; K504-H506 VanDerWaalsContact C-N 3.33Å; K504-H506 PolarHBondContact O-N 2.77Å; K504-A507 PolarHBondContact O-N 3.19Å; K504-Y508 HydrophobicContact CD-CE2 4.48Å; K504-Y508 HydrophobicContact CG-CD2 4.03Å; K504-Y508 HydrophobicContact CG-CE2 3.75Å; K504-Y508 WeakPolarHBondContact O-CD2 3.13Å; K504-Y508 PolarHBondContact O-N 3.36Å; K504-E516 IonicContact NZ-OE1 3.33Å; K504-E516 PolarHBondContact NZ-OE1 3.2Å
505	I	92.6	Very high	92.6	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-44.4	174.7	-66.4	167.1	0	0	0	110.5	F197 M205 A208 R209 S212 A429 A501 L502 A507 Y508 V509	F197-I505 HydrophobicContact CE1-CB 4.27Å; F197-I505 HydrophobicContact CE1-CG2 3.68Å; F197-I505 HydrophobicContact CZ-CB 4.17Å; F197-I505 HydrophobicContact CZ-CG2 4.11Å; M205-I505 HydrophobicContact CG-CG2 4.43Å; A208-I505 HydrophobicContact CB-CG2 4.13Å; R209-I505 HydrophobicContact CB-CD1 4.12Å; R209-I505 HydrophobicContact CB-CG1 4.36Å; R209-I505 HydrophobicContact CG-CD1 3.88Å; R209-I505 HydrophobicContact CG-CG1 4.49Å; S212-I505 WeakPolarHBondContact OG-CG1 3.18Å; A429-I505 HydrophobicContact CB-CD1 3.37Å; A501-I505 WeakPolarHBondContact O-CG1 3.48Å; A501-I505 PolarHBondContact O-N 2.79Å; L502-I505 PolarHBondContact O-N 2.92Å; L502-I505 VanDerWaalsContact O-N 3.15Å; I505-A507 VanDerWaalsContact C-N 3.35Å; I505-A507 PolarHBondContact O-N 3.13Å; I505-Y508 CarbonylContact O-C 3.56Å; I505-Y508 PolarHBondContact O-N 3.33Å; I505-Y508 VanDerWaalsContact O-N 3.13Å; I505-V509 WeakPolarHBondContact O-CG2 2.96Å; I505-V509 PolarHBondContact O-N 3.44Å
506	H	89.4	Confident	92.5	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-46.8	175.8	177.1	-87	0	0	0	111.7	F126 L130 F197 L502 A503 K504 Y508 V509 M510	F126-H506 AromaticContact CD1-CD2 3.63Å; F126-H506 AromaticContact CD1-NE2 3.37Å; F126-H506 WeakPolarHBondContact CD1-NE2 3.27Å; F126-H506 AromaticContact CE1-CD2 3.1Å; F126-H506 WeakPolarHBondContact CE1-CD2 3.31Å; F126-H506 AromaticContact CE1-NE2 3.4Å; F126-H506 WeakPolarHBondContact CE1-NE2 3.43Å; F126-H506 AromaticContact CZ-CD2 3.56Å; L130-H506 HydrophobicContact CD1-CB 3.92Å; F197-H506 HydrophobicContact CZ-CB 4.03Å; L502-H506 PolarHBondContact O-N 3.15Å; A503-H506 WeakPolarHBondContact O-CB 3.43Å; A503-H506 PolarHBondContact O-N 2.82Å; K504-H506 VanDerWaalsContact C-N 3.33Å; K504-H506 PolarHBondContact O-N 2.77Å; H506-Y508 VanDerWaalsContact C-N 3.33Å; H506-Y508 PolarHBondContact O-N 2.89Å; H506-V509 WeakPolarHBondContact O-CB 3.38Å; H506-V509 PolarHBondContact O-N 3.39Å; H506-M510 WeakPolarHBondContact O-CG 3.13Å; H506-M510 PolarHBondContact O-N 3.48Å
507	A	90.6	Very high	92.5	Very high	19 Å²	19	37.5 Å²	37.5	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-40.1	175.2	0	0	0	0	0	112.7	W134 A503 K504 I505 V509 M510 D511 L514	W134-A507 HydrophobicContact CZ2-CB 3.85Å; A503-A507 PolarHBondContact O-N 3.24Å; K504-A507 PolarHBondContact O-N 3.19Å; I505-A507 VanDerWaalsContact C-N 3.35Å; I505-A507 PolarHBondContact O-N 3.13Å; A507-V509 VanDerWaalsContact C-N 3.35Å; A507-M510 PolarHBondContact O-N 3.26Å; A507-D511 PolarHBondContact O-N 2.96Å; A507-L514 HydrophobicContact CB-CD1 4.29Å
508	Y	92.9	Very high	92.5	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.039	22%	0.216	C	C	.	.	H	α-helix	trans	-73.5	-21.1	177.3	-82.4	-121.2	0	0	0	113.7	W134 R211 S212 K504 I505 H506 L514 S515	W134-Y508 AromaticContact CH2-CE2 3.98Å; W134-Y508 HydrophobicContact CH2-CE2 3.98Å; W134-Y508 HydrophobicContact CZ3-CE2 4.33Å; R211-Y508 HydrophobicContact CB-CD1 3.69Å; R211-Y508 HydrophobicContact CB-CE1 4.01Å; R211-Y508 PolarHBondContact NH2-O 3.38Å; R211-Y508 VanDerWaalsContact O-CE1 3.3Å; R211-Y508 WeakPolarHBondContact O-CE1 3.29Å; S212-Y508 VanDerWaalsContact CA-CE1 3.49Å; K504-Y508 HydrophobicContact CD-CE2 4.48Å; K504-Y508 HydrophobicContact CG-CD2 4.03Å; K504-Y508 HydrophobicContact CG-CE2 3.75Å; K504-Y508 WeakPolarHBondContact O-CD2 3.13Å; K504-Y508 PolarHBondContact O-N 3.36Å; I505-Y508 CarbonylContact O-C 3.56Å; I505-Y508 PolarHBondContact O-N 3.33Å; I505-Y508 VanDerWaalsContact O-N 3.13Å; H506-Y508 VanDerWaalsContact C-N 3.33Å; H506-Y508 PolarHBondContact O-N 2.89Å; Y508-L514 HydrophobicContact CD1-CB 3.69Å; Y508-L514 WeakPolarHBondContact CD1-O 3.22Å; Y508-L514 HydrophobicContact CD2-CB 3.84Å; Y508-L514 HydrophobicContact CD2-CD1 3.72Å; Y508-L514 HydrophobicContact CD2-CG 4.45Å; Y508-L514 VanDerWaalsContact CE1-C 3.43Å; Y508-L514 HydrophobicContact CE1-CB 3.67Å; Y508-L514 WeakPolarHBondContact CE1-O 3.42Å; Y508-L514 HydrophobicContact CE2-CB 3.83Å; Y508-L514 HydrophobicContact CE2-CD1 3.99Å; Y508-L514 HydrophobicContact CG-CB 3.8Å; Y508-L514 HydrophobicContact CG-CD1 4.27Å; Y508-S515 PolarHBondContact OH-O 3.49Å
509	V	89.4	Confident	92.6	Very high	13 Å²	13	39.2 Å²	39.2	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-70.4	-49.3	166.5	170.4	0	0	0	0	109.4	F126 L200 E204 A208 I505 H506 A507 D511	F126-V509 HydrophobicContact CE1-CB 4.36Å; F126-V509 HydrophobicContact CE1-CG1 3.99Å; L200-V509 HydrophobicContact CD1-CG1 4.4Å; L200-V509 HydrophobicContact CD1-CG2 4.09Å; L200-V509 HydrophobicContact CD2-CG1 4.17Å; E204-V509 HydrophobicContact CG-CG1 4.16Å; A208-V509 HydrophobicContact CB-CB 4.36Å; A208-V509 HydrophobicContact CB-CG2 3.41Å; A208-V509 VanDerWaalsContact CB-CG2 3.41Å; I505-V509 WeakPolarHBondContact O-CG2 2.96Å; I505-V509 PolarHBondContact O-N 3.44Å; H506-V509 WeakPolarHBondContact O-CB 3.38Å; H506-V509 PolarHBondContact O-N 3.39Å; A507-V509 VanDerWaalsContact C-N 3.35Å; V509-D511 PolarHBondContact O-N 3.09Å
510	M	87	Confident	92.7	Very high	89 Å²	89	42 Å²	42	44%	0.438	25%	0.248	S	C	.	.	H	α-helix	trans	-67.9	-35.2	-177	-68.1	-62.6	-85	0	0	113.2	R114 F126 H506 A507	R114-M510 PolarHBondContact NH1-O 3.21Å; F126-M510 HydrophobicContact CD1-CG 4.22Å; F126-M510 HydrophobicContact CD1-SD 3.75Å; H506-M510 WeakPolarHBondContact O-CG 3.13Å; H506-M510 PolarHBondContact O-N 3.48Å; A507-M510 PolarHBondContact O-N 3.26Å
511	D	90	Very high	92.8	Very high	55 Å²	55	43.9 Å²	43.9	29%	0.294	26%	0.261	S	S	.	.			trans	-120.6	96.3	174.6	-171	-6.9	0	0	0	112	A507 V509 S513 L514	A507-D511 PolarHBondContact O-N 2.96Å; V509-D511 PolarHBondContact O-N 3.09Å; D511-S513 VanDerWaalsContact CG-OG 3.26Å; D511-S513 PolarHBondContact O-N 3.45Å; D511-S513 VanDerWaalsContact O-N 3.14Å; D511-S513 VanDerWaalsContact OD1-CB 3.28Å; D511-S513 WeakPolarHBondContact OD1-CB 3.24Å; D511-S513 PolarHBondContact OD1-N 3.48Å; D511-S513 PolarHBondContact OD1-OG 2.95Å; D511-S513 PolarHBondContact OD2-OG 2.85Å; D511-L514 HydrophobicContact CB-CD1 3.98Å; D511-L514 HydrophobicContact CB-CG 3.93Å; D511-L514 PolarHBondContact O-N 2.67Å
512	P	89.3	Confident	93	Very high	76 Å²	76	43.5 Å²	43.5	49%	0.494	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11	175.4	-24.8	35.7	0	0	0	115.7	L514	P512-L514 VanDerWaalsContact C-N 3.33Å
513	S	92.8	Very high	93.2	Very high	91 Å²	91	45.8 Å²	45.8	64%	0.636	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.7	176.7	75.9	0	0	0	0	113.2	D511	D511-S513 VanDerWaalsContact CG-OG 3.26Å; D511-S513 PolarHBondContact O-N 3.45Å; D511-S513 VanDerWaalsContact O-N 3.14Å; D511-S513 VanDerWaalsContact OD1-CB 3.28Å; D511-S513 WeakPolarHBondContact OD1-CB 3.24Å; D511-S513 PolarHBondContact OD1-N 3.48Å; D511-S513 PolarHBondContact OD1-OG 2.95Å; D511-S513 PolarHBondContact OD2-OG 2.85Å
514	L	94.3	Very high	93.5	Very high	43 Å²	43	52.1 Å²	52.1	23%	0.225	29%	0.293	C	S	.	.			trans	-66.7	135.5	176.1	-60.9	178.5	0	0	0	111.5	W134 R211 A507 Y508 D511 P512	W134-L514 HydrophobicContact CZ2-CD1 4.35Å; R211-L514 WeakPolarHBondContact CD-O 3.35Å; R211-L514 PolarHBondContact NE-O 2.86Å; A507-L514 HydrophobicContact CB-CD1 4.29Å; Y508-L514 HydrophobicContact CD1-CB 3.69Å; Y508-L514 WeakPolarHBondContact CD1-O 3.22Å; Y508-L514 HydrophobicContact CD2-CB 3.84Å; Y508-L514 HydrophobicContact CD2-CD1 3.72Å; Y508-L514 HydrophobicContact CD2-CG 4.45Å; Y508-L514 VanDerWaalsContact CE1-C 3.43Å; Y508-L514 HydrophobicContact CE1-CB 3.67Å; Y508-L514 WeakPolarHBondContact CE1-O 3.42Å; Y508-L514 HydrophobicContact CE2-CB 3.83Å; Y508-L514 HydrophobicContact CE2-CD1 3.99Å; Y508-L514 HydrophobicContact CG-CB 3.8Å; Y508-L514 HydrophobicContact CG-CD1 4.27Å; D511-L514 HydrophobicContact CB-CD1 3.98Å; D511-L514 HydrophobicContact CB-CG 3.93Å; D511-L514 PolarHBondContact O-N 2.67Å; P512-L514 VanDerWaalsContact C-N 3.33Å
515	S	93.7	Very high	93.7	Very high	78 Å²	78	56.1 Å²	56.1	55%	0.545	31%	0.311	S	S	.	.			trans	-147.9	155.6	-179.9	56.9	0	0	0	0	110.6	Y508 P517	Y508-S515 PolarHBondContact OH-O 3.49Å; S515-P517 WeakPolarHBondContact O-CD 3.24Å
516	E	95.1	Very high	94	Very high	28 Å²	28	55.9 Å²	55.9	13%	0.131	31%	0.31	C	S	.	.			trans	-95.4	104.4	171.5	-90.5	-72.2	-168.7	0	0	110.8	R211 P214 K504 R518 Q519	R211-E516 WeakPolarHBondContact O-CB 3.16Å; R211-E516 PolarHBondContact O-N 3.02Å; P214-E516 HydrophobicContact CB-CG 4.28Å; K504-E516 IonicContact NZ-OE1 3.33Å; K504-E516 PolarHBondContact NZ-OE1 3.2Å; E516-R518 VanDerWaalsContact C-N 3.31Å; E516-R518 PolarHBondContact O-N 2.94Å; E516-Q519 HydrophobicContact CB-CG 3.76Å
517	P	94.3	Very high	94.4	Very high	109 Å²	109	55.1 Å²	55.1	71%	0.708	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-27	-171.1	27.2	-34.5	0	0	0	113.3	S515	S515-P517 WeakPolarHBondContact O-CD 3.24Å
518	R	95.4	Very high	94.7	Very high	76 Å²	76	62.8 Å²	62.8	29%	0.287	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0.9	-173.5	-70.9	-179.8	65.3	-177.1	-4	114.9	E139 E516 A520 D521 I522	E139-R518 VanDerWaalsContact CD-NH1 3.34Å; E139-R518 IonicContact OE1-NH1 3.72Å; E139-R518 IonicContact OE2-CZ 2.68Å; E139-R518 IonicContact OE2-NH1 3.56Å; E139-R518 PolarHBondContact OE2-NH1 2.88Å; E516-R518 VanDerWaalsContact C-N 3.31Å; E516-R518 PolarHBondContact O-N 2.94Å; R518-A520 PolarHBondContact O-N 2.86Å; R518-A520 VanDerWaalsContact O-N 3.08Å; R518-D521 PolarHBondContact O-N 3.34Å; R518-D521 VanDerWaalsContact O-N 3.09Å; R518-I522 HydrophobicContact CB-CD1 3.67Å; R518-I522 HydrophobicContact CB-CG1 4.11Å; R518-I522 WeakPolarHBondContact O-CD1 3.34Å; R518-I522 VanDerWaalsContact O-CG1 3.3Å; R518-I522 WeakPolarHBondContact O-CG1 3.49Å; R518-I522 PolarHBondContact O-N 2.99Å
519	Q	96.8	Very high	95	Very high	35 Å²	35	65.4 Å²	65.4	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-52	-35.6	-178	-77	-174	-16	0	0	114	T210 N213 T217 E516 R523	T210-Q519 PolarHBondContact O-NE2 3.1Å; N213-Q519 PolarHBondContact O-NE2 3.08Å; T217-Q519 HydrophobicContact CG2-CB 3.75Å; T217-Q519 HydrophobicContact CG2-CG 4.35Å; T217-Q519 PolarHBondContact OG1-O 3.28Å; E516-Q519 HydrophobicContact CB-CG 3.76Å; Q519-R523 VanDerWaalsContact O-CB 3.32Å; Q519-R523 WeakPolarHBondContact O-CB 3.25Å; Q519-R523 PolarHBondContact O-N 2.95Å
520	A	96.2	Very high	95.4	Very high	68 Å²	68	64.8 Å²	64.8	56%	0.562	35%	0.347	S	S	*	.	H	α-helix	trans	-73.4	-41.2	-179.5	0	0	0	0	0	112.6	R518 K524	R518-A520 PolarHBondContact O-N 2.86Å; R518-A520 VanDerWaalsContact O-N 3.08Å; A520-K524 PolarHBondContact O-N 3.34Å
521	D	97.1	Very high	95.9	Very high	87 Å²	87	62.4 Å²	62.4	47%	0.465	35%	0.345	S	S	.	.	H	α-helix	trans	-73.1	-46	-178.3	-63.3	-47.4	0	0	0	111.3	R518 R523 K524 E525	R518-D521 PolarHBondContact O-N 3.34Å; R518-D521 VanDerWaalsContact O-N 3.09Å; D521-R523 VanDerWaalsContact C-N 3.3Å; D521-R523 PolarHBondContact O-N 3.27Å; D521-K524 WeakPolarHBondContact O-CA 3.14Å; D521-K524 WeakPolarHBondContact O-CB 3.46Å; D521-K524 PolarHBondContact O-N 3.49Å; D521-E525 WeakPolarHBondContact O-CG 3.1Å; D521-E525 PolarHBondContact O-N 3.44Å
522	I	97.3	Very high	96.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-56.2	-46.4	176.2	-65.5	161.1	0	0	0	110.5	P140 P214 Y215 R518 K524 E525 C526	P140-I522 HydrophobicContact CB-CD1 3.54Å; P140-I522 HydrophobicContact CB-CG1 4.48Å; P140-I522 HydrophobicContact CG-CD1 4.37Å; P214-I522 HydrophobicContact CB-CD1 3.86Å; Y215-I522 HydrophobicContact CD1-CG2 3.44Å; Y215-I522 VanDerWaalsContact CD1-CG2 3.44Å; Y215-I522 HydrophobicContact CE1-CG2 3.55Å; R518-I522 HydrophobicContact CB-CD1 3.67Å; R518-I522 HydrophobicContact CB-CG1 4.11Å; R518-I522 WeakPolarHBondContact O-CD1 3.34Å; R518-I522 VanDerWaalsContact O-CG1 3.3Å; R518-I522 WeakPolarHBondContact O-CG1 3.49Å; R518-I522 PolarHBondContact O-N 2.99Å; I522-K524 VanDerWaalsContact C-N 3.29Å; I522-K524 PolarHBondContact O-N 2.69Å; I522-E525 PolarHBondContact O-N 3.49Å; I522-C526 WeakPolarHBondContact O-CB 3.27Å; I522-C526 PolarHBondContact O-N 2.91Å; I522-C526 PolarHBondContact O-SG 3.13Å
523	R	97.6	Very high	96.6	Very high	54 Å²	54	59 Å²	59	20%	0.204	33%	0.326	C	S	.	.	H	α-helix	trans	-55.3	-45.1	175.1	172.8	-175.5	178.9	-76.9	-7.4	112	T217 I218 Q519 D521 L527 D534	T217-R523 VanDerWaalsContact O-CD 3.25Å; T217-R523 WeakPolarHBondContact O-CD 3.38Å; T217-R523 PolarHBondContact O-NE 3.12Å; I218-R523 HydrophobicContact CG1-CB 4.14Å; I218-R523 HydrophobicContact CG1-CG 4.24Å; Q519-R523 VanDerWaalsContact O-CB 3.32Å; Q519-R523 WeakPolarHBondContact O-CB 3.25Å; Q519-R523 PolarHBondContact O-N 2.95Å; D521-R523 VanDerWaalsContact C-N 3.3Å; D521-R523 PolarHBondContact O-N 3.27Å; R523-L527 HydrophobicContact CG-CD1 3.91Å; R523-L527 HydrophobicContact CG-CG 4.46Å; R523-L527 WeakPolarHBondContact O-CB 3.29Å; R523-L527 WeakPolarHBondContact O-CG 3.43Å; R523-L527 PolarHBondContact O-N 3.24Å; R523-D534 IonicContact CZ-OD1 3.82Å; R523-D534 IonicContact CZ-OD2 2.76Å; R523-D534 IonicContact NH1-OD1 2.89Å; R523-D534 PolarHBondContact NH1-OD1 3.21Å; R523-D534 IonicContact NH1-OD2 2.71Å; R523-D534 PolarHBondContact NH1-OD2 3.44Å; R523-D534 IonicContact NH2-OD1 2.76Å; R523-D534 PolarHBondContact NH2-OD1 3Å
524	K	97.8	Very high	96.7	Very high	137 Å²	137	58.8 Å²	58.8	60%	0.596	32%	0.318	S	S	*	.	H	α-helix	trans	-67.4	-38.5	-179.9	-176.2	-177	177.6	-174.4	0	111.8	A520 D521 I522 K528	A520-K524 PolarHBondContact O-N 3.34Å; D521-K524 WeakPolarHBondContact O-CA 3.14Å; D521-K524 WeakPolarHBondContact O-CB 3.46Å; D521-K524 PolarHBondContact O-N 3.49Å; I522-K524 VanDerWaalsContact C-N 3.29Å; I522-K524 PolarHBondContact O-N 2.69Å; K524-K528 VanDerWaalsContact O-CB 3.24Å; K524-K528 WeakPolarHBondContact O-CB 3.46Å; K524-K528 PolarHBondContact O-N 3.32Å; K524-K528 VanDerWaalsContact O-N 3.1Å
525	E	98.1	Very high	96.7	Very high	88 Å²	88	63.6 Å²	63.6	41%	0.411	34%	0.337	S	S	.	.	H	α-helix	trans	-64.5	-52.3	174.3	-71.3	173.5	-167	0	0	111.5	A142 D521 I522 L527 K528 L529	A142-E525 HydrophobicContact CB-CB 3.73Å; D521-E525 WeakPolarHBondContact O-CG 3.1Å; D521-E525 PolarHBondContact O-N 3.44Å; I522-E525 PolarHBondContact O-N 3.49Å; E525-L527 PolarHBondContact O-N 3.32Å; E525-K528 PolarHBondContact O-N 2.98Å; E525-L529 VanDerWaalsContact O-CB 3.28Å; E525-L529 WeakPolarHBondContact O-CB 3.42Å; E525-L529 PolarHBondContact O-N 3.4Å
526	C	98.3	Very high	96.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-56.5	-50.8	176.7	-68.7	0	0	0	0	112.3	A142 I218 I522 K528 L529 W530	A142-C526 HydrophobicContact CB-CB 4.46Å; A142-C526 VanDerWaalsContact CB-SG 3.56Å; I218-C526 HydrophobicContact CD1-CB 3.9Å; I522-C526 WeakPolarHBondContact O-CB 3.27Å; I522-C526 PolarHBondContact O-N 2.91Å; I522-C526 PolarHBondContact O-SG 3.13Å; C526-K528 VanDerWaalsContact C-N 3.32Å; C526-K528 PolarHBondContact O-N 2.87Å; C526-L529 PolarHBondContact O-N 3.25Å; C526-W530 HydrophobicContact CB-CD2 4.24Å; C526-W530 HydrophobicContact CB-CE3 4.07Å; C526-W530 HydrophobicContact CB-CH2 3.54Å; C526-W530 HydrophobicContact CB-CZ2 3.73Å; C526-W530 HydrophobicContact CB-CZ3 3.73Å; C526-W530 WeakPolarHBondContact O-CB 3.46Å; C526-W530 VanDerWaalsContact O-CD2 3.3Å; C526-W530 PolarHBondContact O-N 3.46Å
527	L	98.1	Very high	96.4	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-60.8	-40.7	179.6	-71	175.1	0	0	0	111.9	M229 R523 E525 G531 V532 D534	M229-L527 HydrophobicContact CE-CD2 3.62Å; M229-L527 HydrophobicContact SD-CD2 4.44Å; R523-L527 HydrophobicContact CG-CD1 3.91Å; R523-L527 HydrophobicContact CG-CG 4.46Å; R523-L527 WeakPolarHBondContact O-CB 3.29Å; R523-L527 WeakPolarHBondContact O-CG 3.43Å; R523-L527 PolarHBondContact O-N 3.24Å; E525-L527 PolarHBondContact O-N 3.32Å; L527-G531 PolarHBondContact O-N 3.38Å; L527-G531 VanDerWaalsContact O-N 3.16Å; L527-V532 HydrophobicContact CD2-CB 3.88Å; L527-V532 HydrophobicContact CD2-CG1 3.83Å; L527-V532 PolarHBondContact O-N 2.97Å; L527-V532 VanDerWaalsContact O-O 3.09Å; L527-D534 HydrophobicContact CD1-CB 4.02Å
528	K	98.1	Very high	96.3	Very high	180 Å²	180	66.3 Å²	66.3	78%	0.783	35%	0.349	S	S	*	.	H	α-helix	trans	-64.4	-46.8	174.9	-179.8	-174.5	173.3	-168	0	111.6	K524 E525 C526 G531	K524-K528 VanDerWaalsContact O-CB 3.24Å; K524-K528 WeakPolarHBondContact O-CB 3.46Å; K524-K528 PolarHBondContact O-N 3.32Å; K524-K528 VanDerWaalsContact O-N 3.1Å; E525-K528 PolarHBondContact O-N 2.98Å; C526-K528 VanDerWaalsContact C-N 3.32Å; C526-K528 PolarHBondContact O-N 2.87Å; K528-G531 PolarHBondContact O-N 3.31Å
529	L	97.9	Very high	95.9	Very high	64 Å²	64	65.3 Å²	65.3	34%	0.335	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-47.5	-177.2	179.9	63.4	0	0	0	111.8	A142 H236 E525 C526 G531	A142-L529 HydrophobicContact CB-CD2 4.26Å; A142-L529 WeakPolarHBondContact O-CD2 3.38Å; H236-L529 PolarHBondContact CE1-O 3.43Å; H236-L529 PolarHBondContact ND1-O 3.1Å; H236-L529 WeakPolarHBondContact NE2-CD1 3.31Å; H236-L529 VanDerWaalsContact NE2-CG 3.35Å; H236-L529 WeakPolarHBondContact NE2-CG 3.48Å; E525-L529 VanDerWaalsContact O-CB 3.28Å; E525-L529 WeakPolarHBondContact O-CB 3.42Å; E525-L529 PolarHBondContact O-N 3.4Å; C526-L529 PolarHBondContact O-N 3.25Å; L529-G531 PolarHBondContact O-N 3.1Å
530	W	97.9	Very high	95.4	Very high	0 Å²	0	67 Å²	67	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.8	178	-50.3	-25.4	0	0	0	112.8	I218 M229 N233 H236 R281 V424 T425 C526 V532	I218-W530 HydrophobicContact CD1-CH2 3.84Å; I218-W530 HydrophobicContact CD1-CZ3 4.11Å; I218-W530 HydrophobicContact CG2-CZ3 4.09Å; M229-W530 HydrophobicContact CE-CE3 3.63Å; M229-W530 HydrophobicContact CE-CZ3 3.73Å; N233-W530 HydrophobicContact CB-CD2 4.24Å; N233-W530 HydrophobicContact CB-CE3 4.32Å; N233-W530 HydrophobicContact CB-CH2 3.91Å; N233-W530 HydrophobicContact CB-CZ2 3.8Å; N233-W530 HydrophobicContact CB-CZ3 4.16Å; N233-W530 WeakPolarHBondContact OD1-CZ2 3.35Å; H236-W530 HydrophobicContact CB-CB 4.38Å; H236-W530 HydrophobicContact CB-CG 4.18Å; H236-W530 AromaticContact CD2-CD1 3.55Å; H236-W530 AromaticContact CD2-NE1 3.98Å; H236-W530 AromaticContact CG-CD1 3.49Å; H236-W530 VanDerWaalsContact CG-CD1 3.49Å; R281-W530 PolarHBondContact NH2-O 3.13Å; V424-W530 HydrophobicContact CG2-CH2 4.11Å; V424-W530 HydrophobicContact CG2-CZ2 3.97Å; T425-W530 HydrophobicContact CG2-CH2 3.54Å; T425-W530 HydrophobicContact CG2-CZ3 3.75Å; C526-W530 HydrophobicContact CB-CD2 4.24Å; C526-W530 HydrophobicContact CB-CE3 4.07Å; C526-W530 HydrophobicContact CB-CH2 3.54Å; C526-W530 HydrophobicContact CB-CZ2 3.73Å; C526-W530 HydrophobicContact CB-CZ3 3.73Å; C526-W530 WeakPolarHBondContact O-CB 3.46Å; C526-W530 VanDerWaalsContact O-CD2 3.3Å; C526-W530 PolarHBondContact O-N 3.46Å; W530-V532 HydrophobicContact CB-CG2 4.25Å; W530-V532 PolarHBondContact O-N 3.05Å
531	G	97.4	Very high	94.6	Very high	39 Å²	39	68.7 Å²	68.7	40%	0.402	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	40.9	-179.9	0	0	0	0	0	112.9	R281 L527 K528 L529	R281-G531 PolarHBondContact NH1-O 2.84Å; L527-G531 PolarHBondContact O-N 3.38Å; L527-G531 VanDerWaalsContact O-N 3.16Å; K528-G531 PolarHBondContact O-N 3.31Å; L529-G531 PolarHBondContact O-N 3.1Å
532	V	97.7	Very high	93.8	Very high	7 Å²	7	70.6 Å²	70.6	4%	0.042	40%	0.399	C	S	.	.			trans	-104.5	127.9	175.2	179.8	0	0	0	0	108.8	I222 F223 M229 A232 W280 L527 W530 D534	I222-V532 HydrophobicContact CG1-CG1 4.38Å; F223-V532 HydrophobicContact CE2-CG1 4.05Å; M229-V532 HydrophobicContact CE-CB 4.49Å; M229-V532 HydrophobicContact CE-CG1 4.36Å; M229-V532 HydrophobicContact CE-CG2 4.26Å; M229-V532 HydrophobicContact SD-CG1 4.14Å; A232-V532 HydrophobicContact CB-CG2 4.09Å; W280-V532 HydrophobicContact CH2-CG2 4.39Å; W280-V532 HydrophobicContact CZ3-CG2 4.44Å; L527-V532 HydrophobicContact CD2-CB 3.88Å; L527-V532 HydrophobicContact CD2-CG1 3.83Å; L527-V532 PolarHBondContact O-N 2.97Å; L527-V532 VanDerWaalsContact O-O 3.09Å; W530-V532 HydrophobicContact CB-CG2 4.25Å; W530-V532 PolarHBondContact O-N 3.05Å; V532-D534 PolarHBondContact O-N 3.49Å
533	P	96.8	Very high	93.2	Very high	52 Å²	52	72.7 Å²	72.7	34%	0.338	41%	0.413	S	S	.	.			trans	-61.7	130.2	179.8	-23.7	33.3	0	0	0	112.6	W280 K535	W280-P533 VanDerWaalsContact CZ2-CD 3.47Å; W280-P533 HydrophobicContact CZ2-CG 4.11Å; P533-K535 VanDerWaalsContact C-N 3.28Å; P533-K535 HydrophobicContact CB-CD 4.34Å; P533-K535 HydrophobicContact CB-CG 4.25Å; P533-K535 PolarHBondContact O-N 2.96Å
534	D	95.4	Very high	93	Very high	87 Å²	87	74 Å²	74	47%	0.465	43%	0.425	S	S	.	.			trans	-74.8	83.7	168.9	-167.3	-2.3	0	0	0	110.4	R523 L527 V532	R523-D534 IonicContact CZ-OD1 3.82Å; R523-D534 IonicContact CZ-OD2 2.76Å; R523-D534 IonicContact NH1-OD1 2.89Å; R523-D534 PolarHBondContact NH1-OD1 3.21Å; R523-D534 IonicContact NH1-OD2 2.71Å; R523-D534 PolarHBondContact NH1-OD2 3.44Å; R523-D534 IonicContact NH2-OD1 2.76Å; R523-D534 PolarHBondContact NH2-OD1 3Å; L527-D534 HydrophobicContact CD1-CB 4.02Å; V532-D534 PolarHBondContact O-N 3.49Å
535	K	93.4	Very high	92.9	Very high	145 Å²	145	68.1 Å²	68.1	63%	0.63	40%	0.4	S	S	*	.			trans	-139.1	155.4	176.9	-64.7	-175.7	179	-177.7	0	108.8	I222 P533	I222-K535 HydrophobicContact CG2-CB 3.94Å; I222-K535 VanDerWaalsContact CG2-O 3.29Å; I222-K535 WeakPolarHBondContact CG2-O 3.38Å; P533-K535 VanDerWaalsContact C-N 3.28Å; P533-K535 HydrophobicContact CB-CD 4.34Å; P533-K535 HydrophobicContact CB-CG 4.25Å; P533-K535 PolarHBondContact O-N 2.96Å
536	A	89.7	Confident	92.7	Very high	78 Å²	78	68.7 Å²	68.7	65%	0.645	40%	0.401	S	S	*	.			trans	-67.1	148.6	166.9	0	0	0	0	0	110.5	V538	A536-V538 PolarHBondContact O-N 2.98Å
537	R	93.4	Very high	92.4	Very high	83 Å²	83	73.7 Å²	73.7	31%	0.313	43%	0.428	S	S	.	.			trans	-58.3	125.5	160.3	-178.5	-177.3	-175.6	-154.5	-3.3	108.7	G221 I222 F223 L224 D303 Y305	G221-R537 PolarHBondContact O-N 2.88Å; I222-R537 WeakPolarHBondContact O-CG 3.17Å; F223-R537 WeakPolarHBondContact O-CD 3.39Å; L224-R537 VanDerWaalsContact CA-CZ 3.48Å; D303-R537 PolarHBondContact O-NH2 3.46Å; D303-R537 IonicContact OD1-NH2 3.79Å; Y305-R537 HydrophobicContact CD2-CG 3.96Å
538	V	91.2	Very high	92.3	Very high	110 Å²	110	74.5 Å²	74.5	67%	0.667	43%	0.432	S	S	*	.			trans	-130.4	127.9	179.5	175.1	0	0	0	0	108.5	A536	A536-V538 PolarHBondContact O-N 2.98Å
539	A	88.5	Confident	92.2	Very high	56 Å²	56	66 Å²	66	46%	0.463	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-62.1	138.6	174.1	0	0	0	0	0	110.2	Y305 S541	Y305-A539 HydrophobicContact CD2-CB 4.03Å; Y305-A539 HydrophobicContact CE2-CB 3.79Å; A539-S541 PolarHBondContact O-N 3.46Å
540	P	84.9	Confident	91.9	Very high	69 Å²	69	66 Å²	66	45%	0.448	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-63	122.4	-178.1	-20.9	34.2	0	0	0	110.7
541	S	80.8	Confident	91.7	Very high	105 Å²	105	71.4 Å²	71.4	73%	0.734	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-65.2	139.1	177.2	54.6	0	0	0	0	111	A539 S543	A539-S541 PolarHBondContact O-N 3.46Å; S541-S543 PolarHBondContact O-N 2.94Å
542	S	78.8	Confident	91.5	Very high	127 Å²	127	70.4 Å²	70.4	89%	0.888	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-60.2	129.4	165.4	49.3	0	0	0	0	109.2
543	S	85	Confident	91.2	Very high	44 Å²	44	70 Å²	70	31%	0.308	40%	0.399	S	S	.	.			trans	-114.5	141	175.1	46.4	0	0	0	0	109.1	S541 L597	S541-S543 PolarHBondContact O-N 2.94Å; S543-L597 VanDerWaalsContact O-CD1 3.31Å; S543-L597 WeakPolarHBondContact O-CD1 3.44Å
544	D	93.3	Very high	90.8	Very high	82 Å²	82	74.9 Å²	74.9	44%	0.439	42%	0.415	S	S	.	.			trans	-64.5	131.5	168.9	164.6	75.9	0	0	0	109.3	K546 N547 K548	D544-K546 VanDerWaalsContact C-N 3.25Å; D544-K546 PolarHBondContact O-N 3.43Å; D544-K546 WeakPolarHBondContact OD2-CA 3.43Å; D544-K546 VanDerWaalsContact OD2-CB 3.23Å; D544-K546 WeakPolarHBondContact OD2-CB 3.26Å; D544-K546 PolarHBondContact OD2-N 2.97Å; D544-N547 HydrophobicContact CB-CB 4.24Å; D544-N547 PolarHBondContact O-N 3.25Å; D544-N547 PolarHBondContact OD2-N 2.91Å; D544-K548 PolarHBondContact O-N 3.39Å
545	P	95.3	Very high	90	Very high	13 Å²	13	76.6 Å²	76.6	8%	0.084	42%	0.424	C	S	.	.	H	α-helix	trans	-58.3	-33.1	-176.6	-25	31.9	0	0	0	114.1	F549 L595 L597 Y603 W613	P545-F549 VanDerWaalsContact O-CB 3.32Å; P545-F549 WeakPolarHBondContact O-CB 3.35Å; P545-F549 PolarHBondContact O-N 2.98Å; P545-L595 HydrophobicContact CB-CD2 4.12Å; P545-L595 VanDerWaalsContact O-CD2 3.24Å; P545-L595 WeakPolarHBondContact O-CD2 3.45Å; P545-L597 HydrophobicContact CB-CD1 4.44Å; P545-L597 HydrophobicContact CG-CD1 4.01Å; P545-Y603 HydrophobicContact CB-CD1 4.22Å; P545-Y603 HydrophobicContact CB-CD2 4.34Å; P545-Y603 HydrophobicContact CB-CG 4.11Å; P545-Y603 HydrophobicContact CG-CD1 3.58Å; P545-Y603 HydrophobicContact CG-CD2 3.89Å; P545-Y603 HydrophobicContact CG-CE1 3.49Å; P545-Y603 VanDerWaalsContact CG-CE1 3.49Å; P545-Y603 HydrophobicContact CG-CE2 3.82Å; P545-Y603 HydrophobicContact CG-CG 3.79Å; P545-W613 HydrophobicContact CB-CB 3.69Å; P545-W613 HydrophobicContact CB-CG 3.75Å; P545-W613 HydrophobicContact CG-CB 4.4Å
546	K	94.3	Very high	88.9	Confident	99 Å²	99	71.9 Å²	71.9	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-70.4	-46.5	178.2	172.3	-169.5	177.2	-168.5	0	110	D544 F549 Y550 L611	D544-K546 VanDerWaalsContact C-N 3.25Å; D544-K546 PolarHBondContact O-N 3.43Å; D544-K546 WeakPolarHBondContact OD2-CA 3.43Å; D544-K546 VanDerWaalsContact OD2-CB 3.23Å; D544-K546 WeakPolarHBondContact OD2-CB 3.26Å; D544-K546 PolarHBondContact OD2-N 2.97Å; K546-F549 PolarHBondContact O-N 3.4Å; K546-Y550 HydrophobicContact CD-CE2 4.42Å; K546-Y550 HydrophobicContact CG-CD2 4.02Å; K546-Y550 HydrophobicContact CG-CE2 3.7Å; K546-Y550 WeakPolarHBondContact O-CD2 3.32Å; K546-Y550 PolarHBondContact O-N 3.44Å; K546-Y550 VanDerWaalsContact O-N 3.11Å; K546-L611 HydrophobicContact CG-CD2 3.96Å; K546-L611 HydrophobicContact CG-CG 4.41Å
547	N	93.5	Very high	87.9	Confident	105 Å²	105	73 Å²	73	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-61.1	-44.1	175	-70.4	-13.3	0	0	0	111.9	D544 F549 Y550 E551	D544-N547 HydrophobicContact CB-CB 4.24Å; D544-N547 PolarHBondContact O-N 3.25Å; D544-N547 PolarHBondContact OD2-N 2.91Å; N547-F549 PolarHBondContact O-N 3.15Å; N547-Y550 PolarHBondContact O-N 2.94Å; N547-E551 PolarHBondContact O-N 3.15Å
548	K	94.9	Very high	87.2	Confident	20 Å²	20	69.8 Å²	69.8	9%	0.087	39%	0.394	C	S	.	.	H	α-helix	trans	-67.3	-35	178.3	-167.9	57.5	170.2	-177.9	0	112.4	D544 E551 L552 L597 E626	D544-K548 PolarHBondContact O-N 3.39Å; K548-E551 HydrophobicContact CD-CB 4.42Å; K548-E551 WeakPolarHBondContact CD-OE2 3.48Å; K548-E551 IonicContact NZ-OE1 2.86Å; K548-E551 PolarHBondContact NZ-OE1 3.27Å; K548-E551 IonicContact NZ-OE2 3.22Å; K548-E551 PolarHBondContact NZ-OE2 3.34Å; K548-E551 PolarHBondContact O-N 2.84Å; K548-L552 HydrophobicContact CD-CD1 4.41Å; K548-L552 HydrophobicContact CD-CG 4.15Å; K548-L552 HydrophobicContact CG-CD1 3.95Å; K548-L552 HydrophobicContact CG-CG 4.18Å; K548-L552 VanDerWaalsContact O-CB 3.3Å; K548-L552 WeakPolarHBondContact O-CB 3.3Å; K548-L552 WeakPolarHBondContact O-CG 3.43Å; K548-L552 PolarHBondContact O-N 3.25Å; K548-L597 HydrophobicContact CB-CD2 3.9Å; K548-L597 HydrophobicContact CG-CD2 3.67Å; K548-E626 WeakPolarHBondContact CE-OE1 3.34Å; K548-E626 IonicContact NZ-OE1 2.98Å; K548-E626 PolarHBondContact NZ-OE1 3.43Å
549	F	95.1	Very high	86.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-59.9	-45.6	171.1	174.3	-102.5	0	0	0	112	P545 K546 N547 T553 V558 F561 L595 W605 L611 W613 L628	P545-F549 VanDerWaalsContact O-CB 3.32Å; P545-F549 WeakPolarHBondContact O-CB 3.35Å; P545-F549 PolarHBondContact O-N 2.98Å; K546-F549 PolarHBondContact O-N 3.4Å; N547-F549 PolarHBondContact O-N 3.15Å; F549-T553 HydrophobicContact CD2-CG2 4.01Å; F549-T553 HydrophobicContact CE1-CG2 4.4Å; F549-T553 HydrophobicContact CE2-CG2 3.69Å; F549-T553 HydrophobicContact CZ-CG2 3.91Å; F549-T553 WeakPolarHBondContact O-CB 3.5Å; F549-T553 WeakPolarHBondContact O-CG2 3.27Å; F549-T553 PolarHBondContact O-N 3.21Å; F549-T553 PolarHBondContact O-OG1 2.82Å; F549-V558 HydrophobicContact CE1-CG1 4.36Å; F549-V558 HydrophobicContact CE1-CG2 4.36Å; F549-F561 HydrophobicContact CE2-CD1 4.23Å; F549-F561 AromaticContact CE2-CE1 3.79Å; F549-F561 HydrophobicContact CE2-CE1 3.79Å; F549-F561 HydrophobicContact CE2-CE2 4.5Å; F549-F561 AromaticContact CE2-CZ 3.95Å; F549-F561 HydrophobicContact CE2-CZ 3.95Å; F549-F561 HydrophobicContact CZ-CD1 4.11Å; F549-F561 HydrophobicContact CZ-CD2 4.13Å; F549-F561 AromaticContact CZ-CE1 3.95Å; F549-F561 HydrophobicContact CZ-CE1 3.95Å; F549-F561 AromaticContact CZ-CE2 3.99Å; F549-F561 HydrophobicContact CZ-CE2 3.99Å; F549-F561 HydrophobicContact CZ-CG 4.21Å; F549-F561 AromaticContact CZ-CZ 3.9Å; F549-F561 HydrophobicContact CZ-CZ 3.9Å; F549-L595 HydrophobicContact CB-CD2 4.17Å; F549-W605 HydrophobicContact CE2-CZ3 4.5Å; F549-W605 HydrophobicContact CZ-CZ3 4.01Å; F549-L611 HydrophobicContact CD1-CD2 3.71Å; F549-L611 HydrophobicContact CE1-CD2 4.02Å; F549-W613 HydrophobicContact CB-CZ2 4.14Å; F549-W613 HydrophobicContact CD2-CH2 4.43Å; F549-W613 AromaticContact CD2-CZ2 3.54Å; F549-W613 HydrophobicContact CD2-CZ2 3.54Å; F549-W613 HydrophobicContact CE2-CZ2 4.08Å; F549-W613 AromaticContact CG-CZ2 3.89Å; F549-W613 HydrophobicContact CG-CZ2 3.89Å; F549-W613 AromaticContact CG-NE1 3.99Å; F549-L628 HydrophobicContact CD2-CD1 4.25Å; F549-L628 HydrophobicContact CD2-CD2 4.12Å; F549-L628 HydrophobicContact CE2-CD1 4.37Å; F549-L628 HydrophobicContact CE2-CD2 3.97Å
550	Y	93.4	Very high	86.2	Confident	66 Å²	66	68.1 Å²	68.1	26%	0.259	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-43	176.7	-80.1	-61.3	0	0	0	112.9	K546 N547 T553 K554 N555 V558 L611	K546-Y550 HydrophobicContact CD-CE2 4.42Å; K546-Y550 HydrophobicContact CG-CD2 4.02Å; K546-Y550 HydrophobicContact CG-CE2 3.7Å; K546-Y550 WeakPolarHBondContact O-CD2 3.32Å; K546-Y550 PolarHBondContact O-N 3.44Å; K546-Y550 VanDerWaalsContact O-N 3.11Å; N547-Y550 PolarHBondContact O-N 2.94Å; Y550-T553 PolarHBondContact O-OG1 2.96Å; Y550-K554 PolarHBondContact O-N 3.26Å; Y550-N555 WeakPolarHBondContact CB-OD1 3.11Å; Y550-N555 PolarHBondContact O-N 3.04Å; Y550-V558 HydrophobicContact CE1-CG2 3.62Å; Y550-L611 HydrophobicContact CE2-CD2 3.89Å
551	E	93.4	Very high	86.4	Confident	112 Å²	112	65.1 Å²	65.1	52%	0.523	36%	0.357	S	S	.	.	H	α-helix	trans	-58.4	-54	174.6	-170.9	-154.1	129.6	0	0	111.4	N547 K548 T553 K554	N547-E551 PolarHBondContact O-N 3.15Å; K548-E551 HydrophobicContact CD-CB 4.42Å; K548-E551 WeakPolarHBondContact CD-OE2 3.48Å; K548-E551 IonicContact NZ-OE1 2.86Å; K548-E551 PolarHBondContact NZ-OE1 3.27Å; K548-E551 IonicContact NZ-OE2 3.22Å; K548-E551 PolarHBondContact NZ-OE2 3.34Å; K548-E551 PolarHBondContact O-N 2.84Å; E551-T553 VanDerWaalsContact C-N 3.34Å; E551-T553 PolarHBondContact O-N 3Å; E551-K554 PolarHBondContact O-N 3.26Å
552	L	93.4	Very high	86.5	Confident	18 Å²	18	62.9 Å²	62.9	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-36.8	-177.8	-71.5	176.5	0	0	0	112.6	K548 K554 L595 E626 I657	K548-L552 HydrophobicContact CD-CD1 4.41Å; K548-L552 HydrophobicContact CD-CG 4.15Å; K548-L552 HydrophobicContact CG-CD1 3.95Å; K548-L552 HydrophobicContact CG-CG 4.18Å; K548-L552 VanDerWaalsContact O-CB 3.3Å; K548-L552 WeakPolarHBondContact O-CB 3.3Å; K548-L552 WeakPolarHBondContact O-CG 3.43Å; K548-L552 PolarHBondContact O-N 3.25Å; L552-K554 PolarHBondContact O-N 2.77Å; L552-L595 HydrophobicContact CD1-CD1 3.77Å; L552-E626 HydrophobicContact CD1-CB 4.47Å; L552-E626 HydrophobicContact CD2-CB 3.84Å; L552-E626 HydrophobicContact CD2-CG 4.11Å; L552-I657 HydrophobicContact CB-CD1 3.65Å; L552-I657 VanDerWaalsContact O-CD1 3.31Å; L552-I657 WeakPolarHBondContact O-CD1 3.33Å
553	T	90.9	Very high	86.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.4	174.1	59	0	0	0	0	113.1	F549 Y550 E551 N555 S556 F561 L628	F549-T553 HydrophobicContact CD2-CG2 4.01Å; F549-T553 HydrophobicContact CE1-CG2 4.4Å; F549-T553 HydrophobicContact CE2-CG2 3.69Å; F549-T553 HydrophobicContact CZ-CG2 3.91Å; F549-T553 WeakPolarHBondContact O-CB 3.5Å; F549-T553 WeakPolarHBondContact O-CG2 3.27Å; F549-T553 PolarHBondContact O-N 3.21Å; F549-T553 PolarHBondContact O-OG1 2.82Å; Y550-T553 PolarHBondContact O-OG1 2.96Å; E551-T553 VanDerWaalsContact C-N 3.34Å; E551-T553 PolarHBondContact O-N 3Å; T553-N555 VanDerWaalsContact C-N 3.26Å; T553-N555 PolarHBondContact O-N 2.84Å; T553-S556 WeakPolarHBondContact O-CB 3.25Å; T553-S556 PolarHBondContact O-N 2.89Å; T553-S556 PolarHBondContact O-OG 3.34Å; T553-F561 HydrophobicContact CG2-CE2 4.16Å; T553-F561 HydrophobicContact CG2-CZ 3.73Å; T553-L628 HydrophobicContact CG2-CD2 4.16Å
554	K	89.1	Confident	86.8	Confident	153 Å²	153	65.3 Å²	65.3	67%	0.665	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	36.3	-178.2	-54.2	172.4	-176.1	162.3	0	113.3	Y550 E551 L552 S556	Y550-K554 PolarHBondContact O-N 3.26Å; E551-K554 PolarHBondContact O-N 3.26Å; L552-K554 PolarHBondContact O-N 2.77Å; K554-S556 PolarHBondContact O-N 3.17Å
555	N	76.9	Confident	86.7	Confident	124 Å²	124	64.4 Å²	64.4	66%	0.663	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	30.1	-170.6	-56.4	-46.3	0	0	0	113.7	Y550 T553	Y550-N555 WeakPolarHBondContact CB-OD1 3.11Å; Y550-N555 PolarHBondContact O-N 3.04Å; T553-N555 VanDerWaalsContact C-N 3.26Å; T553-N555 PolarHBondContact O-N 2.84Å
556	S	71.8	Confident	86.7	Confident	45 Å²	45	65.5 Å²	65.5	32%	0.315	33%	0.329	S	S	.	.			trans	-58.1	156.4	170.9	-64.2	0	0	0	0	110.7	T553 K554 V558 R664	T553-S556 WeakPolarHBondContact O-CB 3.25Å; T553-S556 PolarHBondContact O-N 2.89Å; T553-S556 PolarHBondContact O-OG 3.34Å; K554-S556 PolarHBondContact O-N 3.17Å; S556-V558 PolarHBondContact O-N 3.5Å; S556-V558 VanDerWaalsContact O-N 3.07Å; S556-R664 PolarHBondContact OG-NH1 3.31Å
557	D	68.7	Low	86.7	Confident	101 Å²	101	64.7 Å²	64.7	54%	0.54	33%	0.334	S	S	.	.			trans	-49.5	113.8	174.4	-177.7	11.3	0	0	0	112.5	D559 A560	D557-D559 PolarHBondContact O-N 3.45Å; D557-D559 WeakPolarHBondContact OD1-CB 3.35Å; D557-D559 PolarHBondContact OD1-N 2.93Å; D557-A560 WeakPolarHBondContact O-CB 3.46Å; D557-A560 PolarHBondContact O-N 3.48Å
558	V	78.8	Confident	86.8	Confident	17 Å²	17	60.1 Å²	60.1	10%	0.103	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-70.8	-21.4	178.6	-174	0	0	0	0	110.5	F549 Y550 S556 A560 F561 Q562 W605 M609	F549-V558 HydrophobicContact CE1-CG1 4.36Å; F549-V558 HydrophobicContact CE1-CG2 4.36Å; Y550-V558 HydrophobicContact CE1-CG2 3.62Å; S556-V558 PolarHBondContact O-N 3.5Å; S556-V558 VanDerWaalsContact O-N 3.07Å; V558-A560 PolarHBondContact O-N 3.31Å; V558-F561 WeakPolarHBondContact O-CB 3.44Å; V558-F561 PolarHBondContact O-N 2.8Å; V558-Q562 PolarHBondContact O-N 3.25Å; V558-Q562 PolarHBondContact O-NE2 2.84Å; V558-W605 HydrophobicContact CG1-CH2 4.05Å; V558-M609 HydrophobicContact CG1-CE 3.83Å
559	D	77.9	Confident	86.7	Confident	103 Å²	103	61.8 Å²	61.8	55%	0.551	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-65.6	-26.2	178.8	-60.8	-13.8	0	0	0	111.2	D557 F561 Q562	D557-D559 PolarHBondContact O-N 3.45Å; D557-D559 WeakPolarHBondContact OD1-CB 3.35Å; D557-D559 PolarHBondContact OD1-N 2.93Å; D559-F561 PolarHBondContact O-N 2.85Å; D559-F561 VanDerWaalsContact O-N 3.14Å; D559-Q562 PolarHBondContact O-N 3.29Å; D559-Q562 PolarHBondContact OD1-NE2 2.73Å
560	A	80.9	Confident	86.4	Confident	28 Å²	28	65.2 Å²	65.2	23%	0.231	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-58.9	-23.7	170.6	0	0	0	0	0	113.7	D557 V558 R784 H787	D557-A560 WeakPolarHBondContact O-CB 3.46Å; D557-A560 PolarHBondContact O-N 3.48Å; V558-A560 PolarHBondContact O-N 3.31Å; A560-R784 HydrophobicContact CB-CB 4.16Å; A560-H787 PolarHBondContact O-CD2 3.21Å
561	F	87.8	Confident	86.2	Confident	5 Å²	5	70.5 Å²	70.5	2%	0.022	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-24.8	175	-66	-105.3	0	0	0	112.4	F549 T553 V558 D559 S563 F593 W605 L628 L656 F783 H787	F549-F561 HydrophobicContact CE2-CD1 4.23Å; F549-F561 AromaticContact CE2-CE1 3.79Å; F549-F561 HydrophobicContact CE2-CE1 3.79Å; F549-F561 HydrophobicContact CE2-CE2 4.5Å; F549-F561 AromaticContact CE2-CZ 3.95Å; F549-F561 HydrophobicContact CE2-CZ 3.95Å; F549-F561 HydrophobicContact CZ-CD1 4.11Å; F549-F561 HydrophobicContact CZ-CD2 4.13Å; F549-F561 AromaticContact CZ-CE1 3.95Å; F549-F561 HydrophobicContact CZ-CE1 3.95Å; F549-F561 AromaticContact CZ-CE2 3.99Å; F549-F561 HydrophobicContact CZ-CE2 3.99Å; F549-F561 HydrophobicContact CZ-CG 4.21Å; F549-F561 AromaticContact CZ-CZ 3.9Å; F549-F561 HydrophobicContact CZ-CZ 3.9Å; T553-F561 HydrophobicContact CG2-CE2 4.16Å; T553-F561 HydrophobicContact CG2-CZ 3.73Å; V558-F561 WeakPolarHBondContact O-CB 3.44Å; V558-F561 PolarHBondContact O-N 2.8Å; D559-F561 PolarHBondContact O-N 2.85Å; D559-F561 VanDerWaalsContact O-N 3.14Å; F561-S563 VanDerWaalsContact C-N 3.28Å; F561-S563 PolarHBondContact O-N 3.42Å; F561-F593 HydrophobicContact CB-CE2 4Å; F561-F593 HydrophobicContact CB-CZ 4.12Å; F561-F593 HydrophobicContact CD1-CD1 4.12Å; F561-F593 HydrophobicContact CD1-CD2 4.38Å; F561-F593 AromaticContact CD1-CE1 3.72Å; F561-F593 HydrophobicContact CD1-CE1 3.72Å; F561-F593 AromaticContact CD1-CE2 3.99Å; F561-F593 HydrophobicContact CD1-CE2 3.99Å; F561-F593 HydrophobicContact CD1-CG 4.43Å; F561-F593 AromaticContact CD1-CZ 3.64Å; F561-F593 HydrophobicContact CD1-CZ 3.64Å; F561-F593 HydrophobicContact CE1-CD1 4.49Å; F561-F593 HydrophobicContact CE1-CE1 4.25Å; F561-F593 HydrophobicContact CG-CZ 4.33Å; F561-W605 HydrophobicContact CB-CH2 3.73Å; F561-W605 HydrophobicContact CB-CZ3 3.73Å; F561-W605 HydrophobicContact CD1-CZ3 4.19Å; F561-W605 HydrophobicContact CG-CZ3 4.16Å; F561-L628 HydrophobicContact CE1-CD2 4.22Å; F561-L628 HydrophobicContact CZ-CD2 4.46Å; F561-L656 HydrophobicContact CD1-CD2 4.32Å; F561-L656 HydrophobicContact CE1-CD2 3.39Å; F561-L656 HydrophobicContact CZ-CD2 3.96Å; F561-F783 HydrophobicContact CD1-CE1 4.26Å; F561-F783 HydrophobicContact CE1-CE1 4.19Å; F561-F783 HydrophobicContact CZ-CE1 4.5Å; F561-H787 PolarHBondContact O-NE2 2.8Å
562	Q	83.5	Confident	86.2	Confident	59 Å²	59	66.2 Å²	66.2	28%	0.276	35%	0.349	S	S	.	.			trans	-82.9	5.9	-172.9	-65	174	63.8	0	0	114.2	V558 D559 K564 M609	V558-Q562 PolarHBondContact O-N 3.25Å; V558-Q562 PolarHBondContact O-NE2 2.84Å; D559-Q562 PolarHBondContact O-N 3.29Å; D559-Q562 PolarHBondContact OD1-NE2 2.73Å; Q562-K564 PolarHBondContact O-N 2.79Å; Q562-M609 HydrophobicContact CG-CE 4.26Å
563	S	83.4	Confident	86.1	Confident	32 Å²	32	66.3 Å²	66.3	22%	0.224	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-60.8	122.7	-176	-176.2	0	0	0	0	113	F561 I565 S788 R790	F561-S563 VanDerWaalsContact C-N 3.28Å; F561-S563 PolarHBondContact O-N 3.42Å; S563-I565 PolarHBondContact O-N 3.15Å; S563-S788 WeakPolarHBondContact OG-CA 3.46Å; S563-S788 PolarHBondContact OG-O 2.86Å; S563-R790 PolarHBondContact O-NH1 2.96Å; S563-R790 PolarHBondContact O-NH2 3.5Å; S563-R790 VanDerWaalsContact O-NH2 3.15Å
564	K	86.3	Confident	86.1	Confident	189 Å²	189	69.4 Å²	69.4	82%	0.822	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-65.4	128.8	169.2	-68.4	-177.1	-179.9	177.6	0	110	Q562	Q562-K564 PolarHBondContact O-N 2.79Å
565	I	91.4	Very high	86.2	Confident	63 Å²	63	67.7 Å²	67.7	32%	0.323	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.7	136.4	175.9	-166.3	146.9	0	0	0	110.9	S563 Y741 R790 F792	S563-I565 PolarHBondContact O-N 3.15Å; I565-Y741 HydrophobicContact CD1-CD1 3.63Å; I565-Y741 HydrophobicContact CD1-CE1 3.46Å; I565-Y741 VanDerWaalsContact CD1-CE1 3.46Å; I565-R790 HydrophobicContact CD1-CG 3.87Å; I565-R790 HydrophobicContact CG1-CG 3.91Å; I565-F792 HydrophobicContact CD1-CB 3.56Å; I565-F792 HydrophobicContact CD1-CG 4.32Å; I565-F792 HydrophobicContact CG1-CB 3.72Å
566	T	94.9	Very high	86.9	Confident	37 Å²	37	61.8 Å²	61.8	23%	0.227	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.1	177	-59.2	0	0	0	0	109.3	L568 T572 R790 L791 F792	T566-L568 PolarHBondContact O-N 2.61Å; T566-T572 HydrophobicContact CG2-CG2 4.07Å; T566-R790 PolarHBondContact N-O 2.85Å; T566-L791 HydrophobicContact CG2-CD2 3.52Å; T566-L791 CarbonylContact O-C 3.49Å; T566-L791 WeakPolarHBondContact O-CA 3.36Å; T566-F792 PolarHBondContact O-N 2.83Å
567	P	95.6	Very high	87.7	Confident	81 Å²	81	67 Å²	67	53%	0.526	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	137.5	171.9	-23.1	34.6	0	0	0	111.4	T572	P567-T572 WeakPolarHBondContact O-CB 3.43Å; P567-T572 WeakPolarHBondContact O-CG2 3.35Å; P567-T572 PolarHBondContact O-OG1 2.81Å
568	L	95.3	Very high	88.8	Confident	10 Å²	10	65.4 Å²	65.4	5%	0.052	33%	0.334	C	S	.	.			trans	-90.8	110.9	167.9	-168.5	69.7	0	0	0	109.7	T566 T572 L573 L576 I742 L791 F792 W793 L813 F818	T566-L568 PolarHBondContact O-N 2.61Å; L568-T572 WeakPolarHBondContact CA-OG1 3.21Å; L568-L573 HydrophobicContact CD1-CD1 4.49Å; L568-L576 HydrophobicContact CD1-CD1 3.67Å; L568-L576 HydrophobicContact CD1-CG 4.31Å; L568-L576 HydrophobicContact CD2-CD1 3.92Å; L568-L576 HydrophobicContact CG-CD1 4.5Å; L568-I742 HydrophobicContact CD2-CG1 4.14Å; L568-L791 HydrophobicContact CB-CB 4.37Å; L568-L791 HydrophobicContact CD1-CB 4.43Å; L568-L791 HydrophobicContact CD1-CD2 4.06Å; L568-F792 PolarHBondContact N-O 2.9Å; L568-W793 HydrophobicContact CB-CB 3.91Å; L568-W793 HydrophobicContact CD2-CB 3.88Å; L568-W793 HydrophobicContact CD2-CG 4.24Å; L568-W793 HydrophobicContact CG-CB 4.45Å; L568-L813 HydrophobicContact CD2-CD2 4.09Å; L568-L813 HydrophobicContact CG-CD2 4.03Å; L568-F818 HydrophobicContact CD2-CD1 4.22Å; L568-F818 HydrophobicContact CD2-CE1 3.49Å; L568-F818 VanDerWaalsContact CD2-CE1 3.49Å; L568-F818 HydrophobicContact CD2-CE2 4.16Å; L568-F818 HydrophobicContact CD2-CZ 3.46Å; L568-F818 VanDerWaalsContact CD2-CZ 3.46Å
569	D	92.8	Very high	89.5	Confident	54 Å²	54	64.7 Å²	64.7	29%	0.289	33%	0.33	S	S	.	.	S	Bend	trans	-137.9	179.1	177.4	64.2	39.7	0	0	0	109.7	K571 T572 L573	D569-K571 PolarHBondContact O-N 2.68Å; D569-K571 VanDerWaalsContact O-N 3.09Å; D569-K571 VanDerWaalsContact OD1-CA 3.31Å; D569-K571 WeakPolarHBondContact OD1-CA 3.44Å; D569-K571 WeakPolarHBondContact OD1-CB 3.48Å; D569-K571 PolarHBondContact OD1-N 2.66Å; D569-T572 PolarHBondContact N-OG1 2.69Å; D569-T572 PolarHBondContact O-N 2.86Å; D569-T572 PolarHBondContact O-OG1 3.21Å; D569-T572 PolarHBondContact OD1-N 3.22Å; D569-T572 PolarHBondContact OD1-OG1 2.75Å; D569-L573 WeakPolarHBondContact O-CB 3.38Å; D569-L573 PolarHBondContact O-N 3.49Å
570	S	88.8	Confident	90.2	Very high	72 Å²	72	59.9 Å²	59.9	50%	0.503	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.2	-178.2	-49.4	0	0	0	0	114.2
571	K	89.8	Confident	90.9	Very high	178 Å²	178	58.6 Å²	58.6	77%	0.774	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-43.3	176.2	-52.5	170.9	-176	168.9	0	110.4	D569 S574	D569-K571 PolarHBondContact O-N 2.68Å; D569-K571 VanDerWaalsContact O-N 3.09Å; D569-K571 VanDerWaalsContact OD1-CA 3.31Å; D569-K571 WeakPolarHBondContact OD1-CA 3.44Å; D569-K571 WeakPolarHBondContact OD1-CB 3.48Å; D569-K571 PolarHBondContact OD1-N 2.66Å; K571-S574 PolarHBondContact O-OG 3.23Å
572	T	92.8	Very high	91.3	Very high	22 Å²	22	59.2 Å²	59.2	14%	0.135	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.1	-178.5	61	0	0	0	0	114.1	T566 P567 L568 D569 S574 K575	T566-T572 HydrophobicContact CG2-CG2 4.07Å; P567-T572 WeakPolarHBondContact O-CB 3.43Å; P567-T572 WeakPolarHBondContact O-CG2 3.35Å; P567-T572 PolarHBondContact O-OG1 2.81Å; L568-T572 WeakPolarHBondContact CA-OG1 3.21Å; D569-T572 PolarHBondContact N-OG1 2.69Å; D569-T572 PolarHBondContact O-N 2.86Å; D569-T572 PolarHBondContact O-OG1 3.21Å; D569-T572 PolarHBondContact OD1-N 3.22Å; D569-T572 PolarHBondContact OD1-OG1 2.75Å; T572-S574 PolarHBondContact O-N 2.58Å; T572-S574 VanDerWaalsContact O-N 3.1Å; T572-K575 VanDerWaalsContact O-CB 3.28Å; T572-K575 WeakPolarHBondContact O-CB 3.5Å; T572-K575 WeakPolarHBondContact O-CG 3.27Å; T572-K575 PolarHBondContact O-N 2.92Å
573	L	91.2	Very high	91.9	Very high	19 Å²	19	57.2 Å²	57.2	10%	0.099	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-50.4	-35.4	176.3	-175.4	62	0	0	0	113.3	L568 D569 K575 L576 L813 F818 F821	L568-L573 HydrophobicContact CD1-CD1 4.49Å; D569-L573 WeakPolarHBondContact O-CB 3.38Å; D569-L573 PolarHBondContact O-N 3.49Å; L573-K575 PolarHBondContact O-N 3.46Å; L573-L576 HydrophobicContact CD1-CD1 4.49Å; L573-L576 PolarHBondContact O-N 2.76Å; L573-L813 HydrophobicContact CD1-CD2 4.15Å; L573-L813 HydrophobicContact CD2-CD1 3.94Å; L573-F818 HydrophobicContact CD1-CD2 3.58Å; L573-F818 HydrophobicContact CD1-CE2 3.67Å; L573-F818 HydrophobicContact CD1-CG 4.5Å; L573-F821 HydrophobicContact CD1-CB 4.43Å; L573-F821 HydrophobicContact CD1-CD1 3.65Å; L573-F821 HydrophobicContact CD1-CD2 4.36Å; L573-F821 HydrophobicContact CD1-CE1 3.94Å; L573-F821 HydrophobicContact CD1-CG 3.89Å; L573-F821 HydrophobicContact CD1-CZ 4.42Å; L573-F821 HydrophobicContact CD2-CB 3.92Å; L573-F821 HydrophobicContact CD2-CD1 4.4Å; L573-F821 HydrophobicContact CD2-CD2 3.78Å; L573-F821 HydrophobicContact CD2-CE2 4.42Å; L573-F821 HydrophobicContact CD2-CG 3.76Å; L573-F821 HydrophobicContact CG-CB 4.4Å; L573-F821 HydrophobicContact CG-CD1 3.95Å; L573-F821 HydrophobicContact CG-CD2 3.74Å; L573-F821 HydrophobicContact CG-CE1 4.14Å; L573-F821 HydrophobicContact CG-CE2 3.93Å; L573-F821 HydrophobicContact CG-CG 3.75Å; L573-F821 HydrophobicContact CG-CZ 4.13Å; L573-F821 VanDerWaalsContact O-CZ 3.24Å; L573-F821 WeakPolarHBondContact O-CZ 3.48Å
574	S	90.6	Very high	92.5	Very high	65 Å²	65	55.7 Å²	55.7	46%	0.455	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-57.5	-18	176.1	63.5	0	0	0	0	115.1	K571 T572 L576 R577	K571-S574 PolarHBondContact O-OG 3.23Å; T572-S574 PolarHBondContact O-N 2.58Å; T572-S574 VanDerWaalsContact O-N 3.1Å; S574-L576 VanDerWaalsContact C-N 3.33Å; S574-R577 WeakPolarHBondContact O-CG 3.49Å
575	K	90.6	Very high	93	Very high	117 Å²	117	46.7 Å²	46.7	51%	0.509	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-72.3	-24.1	174	-63.5	-180	176.1	-175.5	0	112.9	T572 L573 R577 Y582	T572-K575 VanDerWaalsContact O-CB 3.28Å; T572-K575 WeakPolarHBondContact O-CB 3.5Å; T572-K575 WeakPolarHBondContact O-CG 3.27Å; T572-K575 PolarHBondContact O-N 2.92Å; L573-K575 PolarHBondContact O-N 3.46Å; K575-R577 VanDerWaalsContact C-N 3.32Å; K575-R577 PolarHBondContact O-N 2.71Å; K575-Y582 PolarHBondContact O-OH 2.98Å
576	L	91.8	Very high	93.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-89	22.1	-174.6	-64.8	-178.2	0	0	0	114.1	L568 L573 S574 Q578 I579 Y582 L701 I742 L791 F818 F821	L568-L576 HydrophobicContact CD1-CD1 3.67Å; L568-L576 HydrophobicContact CD1-CG 4.31Å; L568-L576 HydrophobicContact CD2-CD1 3.92Å; L568-L576 HydrophobicContact CG-CD1 4.5Å; L573-L576 HydrophobicContact CD1-CD1 4.49Å; L573-L576 PolarHBondContact O-N 2.76Å; S574-L576 VanDerWaalsContact C-N 3.33Å; L576-Q578 PolarHBondContact O-N 3.4Å; L576-I579 VanDerWaalsContact O-CD1 3.29Å; L576-I579 WeakPolarHBondContact O-CD1 3.3Å; L576-Y582 HydrophobicContact CD2-CD1 3.71Å; L576-Y582 HydrophobicContact CD2-CD2 3.96Å; L576-Y582 HydrophobicContact CD2-CE1 3.53Å; L576-Y582 HydrophobicContact CD2-CE2 3.81Å; L576-Y582 HydrophobicContact CD2-CG 3.93Å; L576-L701 HydrophobicContact CD1-CD2 4.49Å; L576-I742 HydrophobicContact CD1-CG1 4.32Å; L576-I742 HydrophobicContact CD1-CG2 4.15Å; L576-I742 HydrophobicContact CD2-CG2 3.75Å; L576-L791 HydrophobicContact CD2-CD1 3.53Å; L576-L791 HydrophobicContact CG-CD1 4.03Å; L576-F818 HydrophobicContact CD1-CE2 3.89Å; L576-F818 HydrophobicContact CD1-CZ 3.81Å; L576-F821 HydrophobicContact CB-CE1 3.96Å; L576-F821 HydrophobicContact CB-CZ 4.47Å
577	R	88.8	Confident	93.3	Very high	156 Å²	156	42.1 Å²	42.1	59%	0.589	21%	0.211	S	C	*	.			trans	-58.1	-33.9	-176.9	-76.6	176.7	-177.1	-139	0	113.9	S574 K575 I579 F821	S574-R577 WeakPolarHBondContact O-CG 3.49Å; K575-R577 VanDerWaalsContact C-N 3.32Å; K575-R577 PolarHBondContact O-N 2.71Å; R577-I579 PolarHBondContact O-N 3.15Å; R577-F821 HydrophobicContact CG-CZ 4.46Å
578	Q	91.4	Very high	93.2	Very high	66 Å²	66	39 Å²	39	31%	0.308	19%	0.193	S	C	.	.	S	Bend	trans	-90.5	73.3	-178.9	-60	-62.4	-1.8	0	0	110.6	L576 F580 D581 Y582 T751	L576-Q578 PolarHBondContact O-N 3.4Å; Q578-F580 VanDerWaalsContact C-N 3.25Å; Q578-F580 PolarHBondContact O-N 3.48Å; Q578-F580 VanDerWaalsContact O-N 3.11Å; Q578-D581 HydrophobicContact CB-CB 4.36Å; Q578-D581 VanDerWaalsContact CB-OD2 3.27Å; Q578-D581 WeakPolarHBondContact CB-OD2 3.35Å; Q578-D581 WeakPolarHBondContact O-CB 3.29Å; Q578-D581 PolarHBondContact O-N 3.15Å; Q578-Y582 WeakPolarHBondContact O-CD2 3.32Å; Q578-Y582 WeakPolarHBondContact O-CE2 3.3Å; Q578-T751 WeakPolarHBondContact CB-OG1 3.49Å; Q578-T751 WeakPolarHBondContact CG-OG1 3.46Å; Q578-T751 PolarHBondContact OE1-OG1 2.87Å
579	I	93.1	Very high	93	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-50.3	-43.5	-167.7	-58.5	-65.3	0	0	0	112.9	L576 R577 D581 Y582 L701 E702 F821 I822 H825	L576-I579 VanDerWaalsContact O-CD1 3.29Å; L576-I579 WeakPolarHBondContact O-CD1 3.3Å; R577-I579 PolarHBondContact O-N 3.15Å; I579-D581 PolarHBondContact O-N 2.98Å; I579-Y582 PolarHBondContact O-N 3.47Å; I579-L701 HydrophobicContact CD1-CD2 4.29Å; I579-L701 HydrophobicContact CG2-CB 4.29Å; I579-L701 HydrophobicContact CG2-CD2 4.34Å; I579-L701 HydrophobicContact CG2-CG 4.22Å; I579-E702 HydrophobicContact CG2-CB 3.8Å; I579-F821 HydrophobicContact CD1-CE1 4.19Å; I579-I822 HydrophobicContact CD1-CB 4.33Å; I579-I822 HydrophobicContact CD1-CG1 4.02Å; I579-I822 HydrophobicContact CD1-CG2 4.35Å; I579-I822 HydrophobicContact CG2-CG2 4.14Å; I579-H825 HydrophobicContact CD1-CB 4.03Å; I579-H825 HydrophobicContact CG1-CB 3.73Å
580	F	93.5	Very high	92.9	Very high	2 Å²	2	44 Å²	44	1%	0.009	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-69.4	-18.6	-174.3	-56.3	-58.3	0	0	0	114.4	Q578 Y582 R583 E702 M752 K761 H826	Q578-F580 VanDerWaalsContact C-N 3.25Å; Q578-F580 PolarHBondContact O-N 3.48Å; Q578-F580 VanDerWaalsContact O-N 3.11Å; F580-Y582 PolarHBondContact O-N 2.95Å; F580-R583 PolarHBondContact O-NH1 3.35Å; F580-E702 HydrophobicContact CD1-CG 4.25Å; F580-E702 HydrophobicContact CE1-CB 4.27Å; F580-E702 HydrophobicContact CE1-CG 4.05Å; F580-M752 HydrophobicContact CB-CB 3.61Å; F580-K761 HydrophobicContact CD1-CD 4.2Å; F580-K761 VanDerWaalsContact CD1-CE 3.41Å; F580-K761 VanDerWaalsContact CD1-NZ 3.32Å; F580-K761 HydrophobicContact CG-CD 4.49Å; F580-H826 AromaticContact CE1-CD2 3.62Å; F580-H826 AromaticContact CE1-NE2 3.51Å; F580-H826 AromaticContact CZ-CD2 3.66Å; F580-H826 AromaticContact CZ-NE2 3.68Å; F580-H826 WeakPolarHBondContact CZ-O 3.38Å
581	D	94.8	Very high	93.1	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.011	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-69.9	-16.3	176.5	-69.3	-14.4	0	0	0	112.5	Q578 I579 T745 V746 T751 M752	Q578-D581 HydrophobicContact CB-CB 4.36Å; Q578-D581 VanDerWaalsContact CB-OD2 3.27Å; Q578-D581 WeakPolarHBondContact CB-OD2 3.35Å; Q578-D581 WeakPolarHBondContact O-CB 3.29Å; Q578-D581 PolarHBondContact O-N 3.15Å; I579-D581 PolarHBondContact O-N 2.98Å; D581-T745 PolarHBondContact O-N 3.44Å; D581-T745 PolarHBondContact O-OG1 3.26Å; D581-V746 HydrophobicContact CB-CB 4.01Å; D581-V746 HydrophobicContact CB-CG2 4.12Å; D581-V746 WeakPolarHBondContact OD1-CB 3.49Å; D581-V746 WeakPolarHBondContact OD1-CG2 3.19Å; D581-T751 WeakPolarHBondContact OD1-CA 3.35Å; D581-T751 PolarHBondContact OD1-OG1 2.97Å; D581-T751 WeakPolarHBondContact OD2-CB 3.37Å; D581-T751 PolarHBondContact OD2-OG1 2.94Å; D581-M752 PolarHBondContact OD1-N 3.5Å
582	Y	96.3	Very high	93.4	Very high	17 Å²	17	35 Å²	35	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.5	-169.2	-63.6	-86.1	0	0	0	114	K575 L576 Q578 I579 F580 L701 I742 I743 K744	K575-Y582 PolarHBondContact O-OH 2.98Å; L576-Y582 HydrophobicContact CD2-CD1 3.71Å; L576-Y582 HydrophobicContact CD2-CD2 3.96Å; L576-Y582 HydrophobicContact CD2-CE1 3.53Å; L576-Y582 HydrophobicContact CD2-CE2 3.81Å; L576-Y582 HydrophobicContact CD2-CG 3.93Å; Q578-Y582 WeakPolarHBondContact O-CD2 3.32Å; Q578-Y582 WeakPolarHBondContact O-CE2 3.3Å; I579-Y582 PolarHBondContact O-N 3.47Å; F580-Y582 PolarHBondContact O-N 2.95Å; Y582-L701 HydrophobicContact CD2-CD2 4.29Å; Y582-L701 HydrophobicContact CG-CD2 4.19Å; Y582-L701 PolarHBondContact O-N 3.03Å; Y582-I742 HydrophobicContact CD1-CG2 3.79Å; Y582-I742 HydrophobicContact CG-CG2 4.04Å; Y582-I743 WeakPolarHBondContact CA-O 3.4Å; Y582-K744 HydrophobicContact CD1-CB 4.03Å; Y582-K744 HydrophobicContact CD1-CG 4.47Å; Y582-K744 HydrophobicContact CE1-CB 3.65Å; Y582-K744 HydrophobicContact CE1-CG 3.92Å
583	R	97.1	Very high	93.7	Very high	17 Å²	17	34.2 Å²	34.2	6%	0.064	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	162.4	165.2	-56	-61.4	170.3	-100.4	-10.2	109.1	F580 F668 V698 Y699 I742 I743 T745	F580-R583 PolarHBondContact O-NH1 3.35Å; R583-F668 HydrophobicContact CB-CD1 4.48Å; R583-F668 HydrophobicContact CB-CE1 4.24Å; R583-F668 HydrophobicContact CG-CD1 4.22Å; R583-F668 HydrophobicContact CG-CE1 4.41Å; R583-V698 HydrophobicContact CB-CG1 3.7Å; R583-V698 HydrophobicContact CG-CG1 3.98Å; R583-Y699 CarbonylContact C-O 3.6Å; R583-Y699 VanDerWaalsContact CA-O 3.23Å; R583-Y699 WeakPolarHBondContact CA-O 3.33Å; R583-Y699 WeakPolarHBondContact CB-O 3.38Å; R583-I742 WeakPolarHBondContact O-CA 3.29Å; R583-I743 PolarHBondContact N-O 2.98Å; R583-I743 PolarHBondContact O-N 3.15Å; R583-T745 HydrophobicContact CB-CG2 4.15Å; R583-T745 HydrophobicContact CG-CG2 3.5Å; R583-T745 VanDerWaalsContact CG-CG2 3.5Å
584	C	96.5	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.6	176.7	56.4	0	0	0	0	113.1	Y699 L740 Y741 I742	C584-Y699 PolarHBondContact N-O 3.09Å; C584-Y699 PolarHBondContact O-N 3.27Å; C584-L740 HydrophobicContact CB-CD1 3.98Å; C584-L740 HydrophobicContact CB-CD2 3.94Å; C584-L740 HydrophobicContact CB-CG 3.9Å; C584-Y741 CarbonylContact C-O 3.6Å; C584-Y741 WeakPolarHBondContact CA-O 3.33Å; C584-Y741 WeakPolarHBondContact CB-O 3.36Å; C584-I742 HydrophobicContact CB-CD1 3.78Å
585	I	96.7	Very high	94.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.5	-177.2	-62.2	-177.2	0	0	0	109.2	G587 M653 F668 K696 V698 Y741 I743	I585-G587 PolarHBondContact O-N 2.76Å; I585-M653 HydrophobicContact CB-CE 4.11Å; I585-M653 HydrophobicContact CD1-CE 4.34Å; I585-M653 HydrophobicContact CG2-CE 3.66Å; I585-M653 HydrophobicContact CG2-SD 3.86Å; I585-F668 HydrophobicContact CD1-CZ 4.02Å; I585-K696 HydrophobicContact CG2-CB 3.58Å; I585-K696 HydrophobicContact CG2-CD 3.63Å; I585-K696 HydrophobicContact CG2-CG 4.11Å; I585-V698 HydrophobicContact CD1-CG2 3.94Å; I585-V698 HydrophobicContact CG1-CG2 4.12Å; I585-Y741 PolarHBondContact N-O 3.47Å; I585-Y741 PolarHBondContact O-N 2.77Å; I585-I743 HydrophobicContact CD1-CD1 3.76Å; I585-I743 HydrophobicContact CG1-CD1 4.19Å
586	V	96.8	Very high	94.7	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	119.7	176	-173.9	0	0	0	0	110.3	K696 I707 Y727 F735 P737 L740 W795	V586-K696 WeakPolarHBondContact O-CD 3.14Å; V586-K696 PolarHBondContact O-NZ 2.68Å; V586-I707 HydrophobicContact CG2-CD1 4.24Å; V586-I707 HydrophobicContact CG2-CG2 3.45Å; V586-I707 VanDerWaalsContact CG2-CG2 3.45Å; V586-Y727 HydrophobicContact CG1-CD1 4.38Å; V586-Y727 HydrophobicContact CG1-CD2 4.3Å; V586-Y727 HydrophobicContact CG1-CG 4.07Å; V586-Y727 HydrophobicContact CG2-CD2 4.04Å; V586-Y727 HydrophobicContact CG2-CE1 4.39Å; V586-Y727 HydrophobicContact CG2-CE2 3.78Å; V586-Y727 HydrophobicContact CG2-CG 4.45Å; V586-F735 HydrophobicContact CB-CZ 4.36Å; V586-F735 HydrophobicContact CG1-CE2 4.1Å; V586-F735 HydrophobicContact CG1-CZ 4.01Å; V586-P737 HydrophobicContact CG1-CB 3.62Å; V586-L740 HydrophobicContact CG2-CD1 4.19Å; V586-W795 HydrophobicContact CG1-CH2 4.46Å; V586-W795 HydrophobicContact CG1-CZ3 4.41Å
587	G	96	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	145.6	173.3	0	0	0	0	0	112	I585 P737 T738 G739	I585-G587 PolarHBondContact O-N 2.76Å; G587-P737 CarbonylContact O-C 3.6Å; G587-P737 WeakPolarHBondContact O-CA 3.48Å; G587-T738 PolarHBondContact O-N 2.92Å; G587-T738 PolarHBondContact O-OG1 2.93Å; G587-G739 PolarHBondContact N-O 2.89Å
588	G	93.3	Very high	95.1	Very high	14 Å²	14	19.2 Å²	19.2	14%	0.144	10%	0.103	C	C	.	.			trans	-141.5	4.9	178.8	0	0	0	0	0	113.9	E632 T738	G588-E632 PolarHBondContact N-OE2 2.85Å; G588-T738 PolarHBondContact N-OG1 3.2Å
589	G	90.1	Very high	95.1	Very high	23 Å²	23	20.1 Å²	20.1	24%	0.237	11%	0.105	C	C	.	.	S	Bend	trans	-166.5	-157.5	178.8	0	0	0	0	0	111.3	E632	G589-E632 PolarHBondContact N-OE2 3.39Å; G589-E632 VanDerWaalsContact O-OE1 3.13Å
590	E	91.3	Very high	95.1	Very high	148 Å²	148	23 Å²	23	69%	0.692	13%	0.126	S	C	*	.			trans	-92.6	136.9	166.2	-65.2	-169.1	161.1	0	0	110	I592	E590-I592 PolarHBondContact O-N 3.07Å
591	Q	93.7	Very high	95.2	Very high	37 Å²	37	26.4 Å²	26.4	17%	0.173	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	125.4	172	-172.7	-166.2	18.4	0	0	110.3	S630 V631 Y741 H787 R790	Q591-S630 WeakPolarHBondContact CG-OG 3.36Å; Q591-S630 PolarHBondContact NE2-OG 2.75Å; Q591-V631 WeakPolarHBondContact CA-O 3.33Å; Q591-Y741 HydrophobicContact CB-CE1 4.41Å; Q591-H787 PolarHBondContact NE2-ND1 3.4Å; Q591-R790 VanDerWaalsContact OE1-NH2 3.09Å
592	I	95.8	Very high	95.3	Very high	24 Å²	24	26.4 Å²	26.4	12%	0.123	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	168.5	177.4	64.3	-179.2	0	0	0	110.5	E590 T604 V631 I633	E590-I592 PolarHBondContact O-N 3.07Å; I592-T604 HydrophobicContact CD1-CG2 3.83Å; I592-V631 HydrophobicContact CD1-CG2 4.22Å; I592-V631 HydrophobicContact CG1-CG2 3.65Å; I592-V631 PolarHBondContact N-O 3.03Å; I592-V631 PolarHBondContact O-N 3.49Å; I592-I633 HydrophobicContact CD1-CD1 3.78Å; I592-I633 HydrophobicContact CD1-CG1 3.97Å
593	F	97.4	Very high	95.3	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.022	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.1	168	-64.3	-72.5	0	0	0	110.4	F561 T604 W605 W613 L629 L656 F783 H787	F561-F593 HydrophobicContact CB-CE2 4Å; F561-F593 HydrophobicContact CB-CZ 4.12Å; F561-F593 HydrophobicContact CD1-CD1 4.12Å; F561-F593 HydrophobicContact CD1-CD2 4.38Å; F561-F593 AromaticContact CD1-CE1 3.72Å; F561-F593 HydrophobicContact CD1-CE1 3.72Å; F561-F593 AromaticContact CD1-CE2 3.99Å; F561-F593 HydrophobicContact CD1-CE2 3.99Å; F561-F593 HydrophobicContact CD1-CG 4.43Å; F561-F593 AromaticContact CD1-CZ 3.64Å; F561-F593 HydrophobicContact CD1-CZ 3.64Å; F561-F593 HydrophobicContact CE1-CD1 4.49Å; F561-F593 HydrophobicContact CE1-CE1 4.25Å; F561-F593 HydrophobicContact CG-CZ 4.33Å; F593-T604 CarbonylContact O-C 3.57Å; F593-T604 WeakPolarHBondContact O-CA 3.47Å; F593-W605 HydrophobicContact CB-CE3 4.28Å; F593-W605 HydrophobicContact CD2-CD2 4.48Å; F593-W605 AromaticContact CD2-CE3 3.74Å; F593-W605 HydrophobicContact CD2-CE3 3.74Å; F593-W605 AromaticContact CD2-CZ3 3.93Å; F593-W605 HydrophobicContact CD2-CZ3 3.93Å; F593-W605 HydrophobicContact CE2-CZ3 4.3Å; F593-W605 HydrophobicContact CG-CE3 4.28Å; F593-W605 PolarHBondContact N-O 3.16Å; F593-W605 PolarHBondContact O-N 3.49Å; F593-W613 HydrophobicContact CB-CH2 3.93Å; F593-W613 HydrophobicContact CB-CZ3 4.4Å; F593-L629 WeakPolarHBondContact CA-O 3.41Å; F593-L656 HydrophobicContact CE1-CD2 4.3Å; F593-F783 HydrophobicContact CE1-CE2 4.33Å; F593-F783 AromaticContact CE1-CZ 3.71Å; F593-F783 HydrophobicContact CE1-CZ 3.71Å; F593-F783 AromaticContact CZ-CZ 3.99Å; F593-F783 HydrophobicContact CZ-CZ 3.99Å; F593-H787 AromaticContact CZ-CE1 3.64Å; F593-H787 AromaticContact CZ-NE2 3.71Å
594	L	98.1	Very high	95.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.9	176.7	-176.5	158.8	0	0	0	109.2	I602 Y603 L623 L628 L629 V631 V650	L594-I602 HydrophobicContact CD1-CG2 3.88Å; L594-I602 HydrophobicContact CD2-CG2 3.83Å; L594-I602 HydrophobicContact CG-CG2 3.72Å; L594-Y603 CarbonylContact C-O 3.57Å; L594-Y603 WeakPolarHBondContact CA-O 3.44Å; L594-L623 HydrophobicContact CD2-CD1 3.65Å; L594-L628 WeakPolarHBondContact O-CA 3.2Å; L594-L629 PolarHBondContact N-O 3.34Å; L594-L629 PolarHBondContact O-N 3.11Å; L594-V631 HydrophobicContact CB-CG1 4.11Å; L594-V631 HydrophobicContact CB-CG2 3.85Å; L594-V631 HydrophobicContact CD1-CG1 4.5Å; L594-V631 HydrophobicContact CD1-CG2 4.24Å; L594-V650 HydrophobicContact CD1-CG1 4.04Å; L594-V650 HydrophobicContact CD1-CG2 4.11Å
595	L	98.1	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.9	175.7	174.3	62.8	0	0	0	109.5	P545 F549 L552 L597 Y603 W613 T627 L628	P545-L595 HydrophobicContact CB-CD2 4.12Å; P545-L595 VanDerWaalsContact O-CD2 3.24Å; P545-L595 WeakPolarHBondContact O-CD2 3.45Å; F549-L595 HydrophobicContact CB-CD2 4.17Å; L552-L595 HydrophobicContact CD1-CD1 3.77Å; L595-L597 HydrophobicContact CD1-CD2 4.35Å; L595-L597 HydrophobicContact CD2-CD2 4.26Å; L595-L597 HydrophobicContact CG-CD2 4.11Å; L595-Y603 PolarHBondContact N-O 2.63Å; L595-Y603 PolarHBondContact O-N 3.28Å; L595-W613 HydrophobicContact CB-CD2 4.45Å; L595-W613 HydrophobicContact CB-CE3 3.95Å; L595-W613 HydrophobicContact CB-CH2 3.66Å; L595-W613 HydrophobicContact CB-CZ2 4.18Å; L595-W613 HydrophobicContact CB-CZ3 3.52Å; L595-W613 HydrophobicContact CD2-CD2 4.29Å; L595-W613 HydrophobicContact CD2-CZ2 4.22Å; L595-T627 WeakPolarHBondContact CA-O 3.29Å; L595-L628 HydrophobicContact CB-CD1 4.29Å
596	A	97.3	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.5	173.8	0	0	0	0	0	111.6	I602 L623 E626 T627	A596-I602 HydrophobicContact CB-CG1 4.21Å; A596-L623 HydrophobicContact CB-CB 3.58Å; A596-L623 HydrophobicContact CB-CD1 4.25Å; A596-E626 PolarHBondContact O-N 2.82Å; A596-T627 PolarHBondContact N-O 2.96Å
597	L	95.7	Very high	94.9	Very high	32 Å²	32	31.9 Å²	31.9	17%	0.168	17%	0.173	C	C	.	.			trans	-101.3	9.5	176.1	-54.6	-174	0	0	0	112.6	S543 P545 K548 L595 Q601 Y603 R625	S543-L597 VanDerWaalsContact O-CD1 3.31Å; S543-L597 WeakPolarHBondContact O-CD1 3.44Å; P545-L597 HydrophobicContact CB-CD1 4.44Å; P545-L597 HydrophobicContact CG-CD1 4.01Å; K548-L597 HydrophobicContact CB-CD2 3.9Å; K548-L597 HydrophobicContact CG-CD2 3.67Å; L595-L597 HydrophobicContact CD1-CD2 4.35Å; L595-L597 HydrophobicContact CD2-CD2 4.26Å; L595-L597 HydrophobicContact CG-CD2 4.11Å; L597-Q601 HydrophobicContact CB-CB 4.01Å; L597-Q601 PolarHBondContact N-O 2.7Å; L597-Y603 HydrophobicContact CD1-CD2 4.22Å; L597-Y603 HydrophobicContact CD1-CE2 3.77Å; L597-Y603 HydrophobicContact CG-CD2 4.27Å; L597-Y603 HydrophobicContact CG-CE2 4.15Å; L597-R625 WeakPolarHBondContact O-CB 3.42Å
598	G	93.5	Very high	94.5	Very high	9 Å²	9	37.6 Å²	37.6	9%	0.093	20%	0.198	C	C	.	.	S	Bend	trans	108.8	148.3	-177.9	0	0	0	0	0	112.3	S600 Q601 L623	G598-S600 PolarHBondContact O-N 3.32Å; G598-Q601 VanDerWaalsContact O-CB 3.31Å; G598-Q601 WeakPolarHBondContact O-CB 3.41Å; G598-Q601 PolarHBondContact O-N 2.98Å; G598-L623 CarbonylContact C-O 3.57Å; G598-L623 WeakPolarHBondContact CA-O 3.27Å
599	K	92.4	Very high	94.2	Very high	84 Å²	84	41.1 Å²	41.1	37%	0.365	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-130.5	-179.4	-55.9	173.1	-177.3	169.7	0	109.5	E302 E310 Q601 E622 L623	E302-K599 VanDerWaalsContact CA-NZ 3.29Å; E302-K599 PolarHBondContact O-NZ 3.37Å; E310-K599 WeakPolarHBondContact OE1-CA 3.36Å; E310-K599 PolarHBondContact OE1-N 3.15Å; K599-Q601 VanDerWaalsContact C-N 3.32Å; K599-Q601 PolarHBondContact O-N 2.87Å; K599-E622 WeakPolarHBondContact O-CA 3.5Å; K599-L623 PolarHBondContact N-O 2.9Å; K599-L623 PolarHBondContact O-N 3.28Å; K599-L623 VanDerWaalsContact O-N 3.15Å
600	S	93.2	Very high	94.1	Very high	63 Å²	63	43.8 Å²	43.8	44%	0.441	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	9.3	177.3	58	0	0	0	0	115.1	G598 I602	G598-S600 PolarHBondContact O-N 3.32Å; S600-I602 VanDerWaalsContact C-N 3.25Å; S600-I602 PolarHBondContact O-N 3.24Å
601	Q	94.9	Very high	94	Very high	74 Å²	74	37.5 Å²	37.5	35%	0.346	20%	0.196	S	C	.	.			trans	-83	72	177.6	-54.4	-56.2	-38.6	0	0	110.4	L597 G598 K599 Y603	L597-Q601 HydrophobicContact CB-CB 4.01Å; L597-Q601 PolarHBondContact N-O 2.7Å; G598-Q601 VanDerWaalsContact O-CB 3.31Å; G598-Q601 WeakPolarHBondContact O-CB 3.41Å; G598-Q601 PolarHBondContact O-N 2.98Å; K599-Q601 VanDerWaalsContact C-N 3.32Å; K599-Q601 PolarHBondContact O-N 2.87Å; Q601-Y603 HydrophobicContact CB-CE2 4.18Å
602	I	96.8	Very high	94	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.2	-177.1	-61.3	174.9	0	0	0	109.7	L594 A596 S600 I616 L621 L623	L594-I602 HydrophobicContact CD1-CG2 3.88Å; L594-I602 HydrophobicContact CD2-CG2 3.83Å; L594-I602 HydrophobicContact CG-CG2 3.72Å; A596-I602 HydrophobicContact CB-CG1 4.21Å; S600-I602 VanDerWaalsContact C-N 3.25Å; S600-I602 PolarHBondContact O-N 3.24Å; I602-I616 HydrophobicContact CB-CG2 3.75Å; I602-I616 HydrophobicContact CG2-CG2 3.8Å; I602-I616 PolarHBondContact O-N 3.27Å; I602-L621 HydrophobicContact CD1-CB 3.83Å; I602-L621 HydrophobicContact CD1-CD2 3.87Å; I602-L621 HydrophobicContact CD1-CG 3.65Å; I602-L621 WeakPolarHBondContact CD1-O 3.44Å; I602-L623 HydrophobicContact CD1-CB 4.3Å; I602-L623 HydrophobicContact CD1-CD1 4.12Å; I602-L623 HydrophobicContact CD1-CG 4.12Å
603	Y	97.8	Very high	94	Very high	42 Å²	42	44.3 Å²	44.3	17%	0.165	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.8	-177.3	-61.9	-98.9	0	0	0	110.7	P545 L594 L595 L597 Q601 W613 K614 K615	P545-Y603 HydrophobicContact CB-CD1 4.22Å; P545-Y603 HydrophobicContact CB-CD2 4.34Å; P545-Y603 HydrophobicContact CB-CG 4.11Å; P545-Y603 HydrophobicContact CG-CD1 3.58Å; P545-Y603 HydrophobicContact CG-CD2 3.89Å; P545-Y603 HydrophobicContact CG-CE1 3.49Å; P545-Y603 VanDerWaalsContact CG-CE1 3.49Å; P545-Y603 HydrophobicContact CG-CE2 3.82Å; P545-Y603 HydrophobicContact CG-CG 3.79Å; L594-Y603 CarbonylContact C-O 3.57Å; L594-Y603 WeakPolarHBondContact CA-O 3.44Å; L595-Y603 PolarHBondContact N-O 2.63Å; L595-Y603 PolarHBondContact O-N 3.28Å; L597-Y603 HydrophobicContact CD1-CD2 4.22Å; L597-Y603 HydrophobicContact CD1-CE2 3.77Å; L597-Y603 HydrophobicContact CG-CD2 4.27Å; L597-Y603 HydrophobicContact CG-CE2 4.15Å; Q601-Y603 HydrophobicContact CB-CE2 4.18Å; Y603-W613 HydrophobicContact CD1-CB 4.38Å; Y603-K614 CarbonylContact C-O 3.53Å; Y603-K614 WeakPolarHBondContact CA-O 3.49Å; Y603-K615 HydrophobicContact CD1-CB 3.93Å; Y603-K615 HydrophobicContact CE1-CB 3.73Å; Y603-K615 HydrophobicContact CE1-CD 4.49Å; Y603-K615 HydrophobicContact CE1-CG 4.24Å
604	T	97.4	Very high	94	Very high	25 Å²	25	51 Å²	51	15%	0.153	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.8	176	59.6	0	0	0	0	112.5	I592 F593 W613 K614	I592-T604 HydrophobicContact CD1-CG2 3.83Å; F593-T604 CarbonylContact O-C 3.57Å; F593-T604 WeakPolarHBondContact O-CA 3.47Å; T604-W613 VanDerWaalsContact C-CE3 3.48Å; T604-W613 WeakPolarHBondContact O-CA 3.38Å; T604-K614 PolarHBondContact N-O 2.9Å; T604-K614 PolarHBondContact O-N 3.14Å
605	W	96.3	Very high	93.9	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.011	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.6	175.1	171.3	48.3	0	0	0	109.6	F549 V558 F561 F593 G607 K608 M609 L611 W613	F549-W605 HydrophobicContact CE2-CZ3 4.5Å; F549-W605 HydrophobicContact CZ-CZ3 4.01Å; V558-W605 HydrophobicContact CG1-CH2 4.05Å; F561-W605 HydrophobicContact CB-CH2 3.73Å; F561-W605 HydrophobicContact CB-CZ3 3.73Å; F561-W605 HydrophobicContact CD1-CZ3 4.19Å; F561-W605 HydrophobicContact CG-CZ3 4.16Å; F593-W605 HydrophobicContact CB-CE3 4.28Å; F593-W605 HydrophobicContact CD2-CD2 4.48Å; F593-W605 AromaticContact CD2-CE3 3.74Å; F593-W605 HydrophobicContact CD2-CE3 3.74Å; F593-W605 AromaticContact CD2-CZ3 3.93Å; F593-W605 HydrophobicContact CD2-CZ3 3.93Å; F593-W605 HydrophobicContact CE2-CZ3 4.3Å; F593-W605 HydrophobicContact CG-CE3 4.28Å; F593-W605 PolarHBondContact N-O 3.16Å; F593-W605 PolarHBondContact O-N 3.49Å; W605-G607 VanDerWaalsContact C-N 3.28Å; W605-G607 VanDerWaalsContact CE2-CA 3.41Å; W605-G607 WeakPolarHBondContact CZ2-O 3.44Å; W605-G607 PolarHBondContact O-N 3.1Å; W605-K608 PolarHBondContact NE1-O 3.16Å; W605-M609 HydrophobicContact CH2-CE 4.05Å; W605-M609 HydrophobicContact CZ2-CE 3.43Å; W605-M609 VanDerWaalsContact CZ2-CE 3.43Å; W605-L611 HydrophobicContact CD2-CD1 3.38Å; W605-L611 VanDerWaalsContact CE2-CD1 3.43Å; W605-L611 HydrophobicContact CE3-CD1 3.67Å; W605-L611 HydrophobicContact CG-CD1 3.87Å; W605-L611 HydrophobicContact CH2-CD1 4.07Å; W605-L611 HydrophobicContact CZ2-CD1 3.81Å; W605-L611 HydrophobicContact CZ3-CD1 4Å; W605-W613 HydrophobicContact CB-CD2 3.89Å; W605-W613 HydrophobicContact CB-CE3 3.62Å; W605-W613 HydrophobicContact CB-CH2 3.84Å; W605-W613 HydrophobicContact CB-CZ2 4.09Å; W605-W613 HydrophobicContact CB-CZ3 3.6Å; W605-W613 HydrophobicContact CE3-CH2 4.34Å; W605-W613 HydrophobicContact CE3-CZ2 4.07Å
606	D	92.8	Very high	93.7	Very high	74 Å²	74	56.7 Å²	56.7	40%	0.396	27%	0.274	S	S	.	.			trans	-87.1	9.9	-173.8	72.7	-23.7	0	0	0	114.2	K608	D606-K608 VanDerWaalsContact C-N 3.27Å; D606-K608 PolarHBondContact O-N 3.29Å; D606-K608 WeakPolarHBondContact OD1-CB 3.3Å; D606-K608 PolarHBondContact OD1-N 3.22Å; D606-K608 VanDerWaalsContact OD1-N 3.14Å; D606-K608 VanDerWaalsContact OD2-CD 3.27Å; D606-K608 WeakPolarHBondContact OD2-CD 3.28Å; D606-K608 WeakPolarHBondContact OD2-CE 3.28Å; D606-K608 WeakPolarHBondContact OD2-CG 3.29Å; D606-K608 IonicContact OD2-NZ 2.66Å; D606-K608 PolarHBondContact OD2-NZ 2.99Å
607	G	90.3	Very high	93.3	Very high	10 Å²	10	64.1 Å²	64.1	10%	0.103	31%	0.308	C	S	.	.	S	Bend	trans	76.5	4.5	-178	0	0	0	0	0	114.8	W605	W605-G607 VanDerWaalsContact C-N 3.28Å; W605-G607 VanDerWaalsContact CE2-CA 3.41Å; W605-G607 WeakPolarHBondContact CZ2-O 3.44Å; W605-G607 PolarHBondContact O-N 3.1Å
608	K	89.4	Confident	92.9	Very high	120 Å²	120	70.4 Å²	70.4	52%	0.522	34%	0.342	S	S	.	.			trans	-104.2	152.8	-176.2	-53.7	-176	-160.9	113.1	0	112.8	W605 D606	W605-K608 PolarHBondContact NE1-O 3.16Å; D606-K608 VanDerWaalsContact C-N 3.27Å; D606-K608 PolarHBondContact O-N 3.29Å; D606-K608 WeakPolarHBondContact OD1-CB 3.3Å; D606-K608 PolarHBondContact OD1-N 3.22Å; D606-K608 VanDerWaalsContact OD1-N 3.14Å; D606-K608 VanDerWaalsContact OD2-CD 3.27Å; D606-K608 WeakPolarHBondContact OD2-CD 3.28Å; D606-K608 WeakPolarHBondContact OD2-CE 3.28Å; D606-K608 WeakPolarHBondContact OD2-CG 3.29Å; D606-K608 IonicContact OD2-NZ 2.66Å; D606-K608 PolarHBondContact OD2-NZ 2.99Å
609	M	86.2	Confident	92.8	Very high	89 Å²	89	71.2 Å²	71.2	44%	0.438	34%	0.343	S	S	.	.	S	Bend	trans	-85.1	149.6	172.8	-75.6	-61.6	112.2	0	0	112.5	V558 Q562 W605 L611	V558-M609 HydrophobicContact CG1-CE 3.83Å; Q562-M609 HydrophobicContact CG-CE 4.26Å; W605-M609 HydrophobicContact CH2-CE 4.05Å; W605-M609 HydrophobicContact CZ2-CE 3.43Å; W605-M609 VanDerWaalsContact CZ2-CE 3.43Å; M609-L611 HydrophobicContact CE-CB 3.83Å; M609-L611 HydrophobicContact SD-CB 4.26Å; M609-L611 PolarHBondContact SD-N 3.29Å
610	P	87.9	Confident	92.9	Very high	78 Å²	78	72.7 Å²	72.7	51%	0.506	35%	0.35	S	S	.	.	S	Bend	cis	-72.4	147.5	-5.5	31.1	-36	0	0	0	112.2	R612	P610-R612 HydrophobicContact CG-CG 4.41Å; P610-R612 WeakPolarHBondContact O-CG 3.43Å; P610-R612 PolarHBondContact O-N 3.14Å
611	L	90.1	Very high	93	Very high	17 Å²	17	70.1 Å²	70.1	9%	0.089	33%	0.331	C	S	.	.			trans	-53.7	106.7	178.9	-177.2	56.3	0	0	0	111.3	K546 F549 Y550 W605 M609	K546-L611 HydrophobicContact CG-CD2 3.96Å; K546-L611 HydrophobicContact CG-CG 4.41Å; F549-L611 HydrophobicContact CD1-CD2 3.71Å; F549-L611 HydrophobicContact CE1-CD2 4.02Å; Y550-L611 HydrophobicContact CE2-CD2 3.89Å; W605-L611 HydrophobicContact CD2-CD1 3.38Å; W605-L611 VanDerWaalsContact CE2-CD1 3.43Å; W605-L611 HydrophobicContact CE3-CD1 3.67Å; W605-L611 HydrophobicContact CG-CD1 3.87Å; W605-L611 HydrophobicContact CH2-CD1 4.07Å; W605-L611 HydrophobicContact CZ2-CD1 3.81Å; W605-L611 HydrophobicContact CZ3-CD1 4Å; M609-L611 HydrophobicContact CE-CB 3.83Å; M609-L611 HydrophobicContact SD-CB 4.26Å; M609-L611 PolarHBondContact SD-N 3.29Å
612	R	92.9	Very high	93	Very high	171 Å²	171	69.4 Å²	69.4	65%	0.645	33%	0.328	S	S	*	.			trans	-132.1	95.6	-175.3	-78.2	176.2	177.9	179.5	3.1	110.3	P610	P610-R612 HydrophobicContact CG-CG 4.41Å; P610-R612 WeakPolarHBondContact O-CG 3.43Å; P610-R612 PolarHBondContact O-N 3.14Å
613	W	96.2	Very high	93.1	Very high	32 Å²	32	69.4 Å²	69.4	12%	0.121	33%	0.327	C	S	.	.			trans	-72.1	125.5	169.7	-70.9	105.3	0	0	0	110.3	P545 F549 F593 L595 Y603 T604 W605 L628	P545-W613 HydrophobicContact CB-CB 3.69Å; P545-W613 HydrophobicContact CB-CG 3.75Å; P545-W613 HydrophobicContact CG-CB 4.4Å; F549-W613 HydrophobicContact CB-CZ2 4.14Å; F549-W613 HydrophobicContact CD2-CH2 4.43Å; F549-W613 AromaticContact CD2-CZ2 3.54Å; F549-W613 HydrophobicContact CD2-CZ2 3.54Å; F549-W613 HydrophobicContact CE2-CZ2 4.08Å; F549-W613 AromaticContact CG-CZ2 3.89Å; F549-W613 HydrophobicContact CG-CZ2 3.89Å; F549-W613 AromaticContact CG-NE1 3.99Å; F593-W613 HydrophobicContact CB-CH2 3.93Å; F593-W613 HydrophobicContact CB-CZ3 4.4Å; L595-W613 HydrophobicContact CB-CD2 4.45Å; L595-W613 HydrophobicContact CB-CE3 3.95Å; L595-W613 HydrophobicContact CB-CH2 3.66Å; L595-W613 HydrophobicContact CB-CZ2 4.18Å; L595-W613 HydrophobicContact CB-CZ3 3.52Å; L595-W613 HydrophobicContact CD2-CD2 4.29Å; L595-W613 HydrophobicContact CD2-CZ2 4.22Å; Y603-W613 HydrophobicContact CD1-CB 4.38Å; T604-W613 VanDerWaalsContact C-CE3 3.48Å; T604-W613 WeakPolarHBondContact O-CA 3.38Å; W605-W613 HydrophobicContact CB-CD2 3.89Å; W605-W613 HydrophobicContact CB-CE3 3.62Å; W605-W613 HydrophobicContact CB-CH2 3.84Å; W605-W613 HydrophobicContact CB-CZ2 4.09Å; W605-W613 HydrophobicContact CB-CZ3 3.6Å; W605-W613 HydrophobicContact CE3-CH2 4.34Å; W605-W613 HydrophobicContact CE3-CZ2 4.07Å; W613-L628 HydrophobicContact CH2-CD1 4.02Å
614	K	96.4	Very high	93	Very high	147 Å²	147	67.4 Å²	67.4	64%	0.639	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.5	174.8	-63.7	-180	-177	176.2	0	109	Y603 T604	Y603-K614 CarbonylContact C-O 3.53Å; Y603-K614 WeakPolarHBondContact CA-O 3.49Å; T604-K614 PolarHBondContact N-O 2.9Å; T604-K614 PolarHBondContact O-N 3.14Å
615	K	96.2	Very high	92.9	Very high	93 Å²	93	69.4 Å²	69.4	40%	0.404	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.6	173.4	-171.5	167	177.1	168.6	0	109.3	Y603	Y603-K615 HydrophobicContact CD1-CB 3.93Å; Y603-K615 HydrophobicContact CE1-CB 3.73Å; Y603-K615 HydrophobicContact CE1-CD 4.49Å; Y603-K615 HydrophobicContact CE1-CG 4.24Å
616	I	93.8	Very high	92.9	Very high	26 Å²	26	71.8 Å²	71.8	13%	0.133	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-78.7	124.4	172.1	-160.9	172	0	0	0	109.2	I602 F619 I633	I602-I616 HydrophobicContact CB-CG2 3.75Å; I602-I616 HydrophobicContact CG2-CG2 3.8Å; I602-I616 PolarHBondContact O-N 3.27Å; I616-F619 HydrophobicContact CD1-CB 3.7Å; I616-F619 HydrophobicContact CD1-CD1 3.98Å; I616-F619 HydrophobicContact CD1-CD2 3.74Å; I616-F619 HydrophobicContact CD1-CE2 4.34Å; I616-F619 HydrophobicContact CD1-CG 3.53Å; I616-F619 HydrophobicContact CG1-CB 3.74Å; I616-F619 HydrophobicContact CG1-CD2 4.49Å; I616-F619 HydrophobicContact CG1-CG 4.16Å; I616-F619 HydrophobicContact CG2-CB 4.21Å; I616-I633 HydrophobicContact CD1-CD1 3.83Å
617	E	89.8	Confident	93.1	Very high	156 Å²	156	68.2 Å²	68.2	73%	0.729	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-103.1	152.8	178.9	-66.7	-179.3	-179.6	0	0	110.6	F619	E617-F619 PolarHBondContact O-N 2.96Å; E617-F619 VanDerWaalsContact O-N 3.14Å
618	N	87.1	Confident	93.5	Very high	165 Å²	165	67.8 Å²	67.8	88%	0.882	31%	0.312	S	S	*	.	S	Bend	trans	54.4	31	177.5	-56.5	-52.4	0	0	0	114.6
619	F	91.8	Very high	93.9	Very high	26 Å²	26	62.1 Å²	62.1	11%	0.114	29%	0.287	C	S	.	.			trans	-128.1	107.3	-178.9	-156.1	-81.8	0	0	0	109.7	I616 E617 L621 I633 V650 N691	I616-F619 HydrophobicContact CD1-CB 3.7Å; I616-F619 HydrophobicContact CD1-CD1 3.98Å; I616-F619 HydrophobicContact CD1-CD2 3.74Å; I616-F619 HydrophobicContact CD1-CE2 4.34Å; I616-F619 HydrophobicContact CD1-CG 3.53Å; I616-F619 HydrophobicContact CG1-CB 3.74Å; I616-F619 HydrophobicContact CG1-CD2 4.49Å; I616-F619 HydrophobicContact CG1-CG 4.16Å; I616-F619 HydrophobicContact CG2-CB 4.21Å; E617-F619 PolarHBondContact O-N 2.96Å; E617-F619 VanDerWaalsContact O-N 3.14Å; F619-L621 VanDerWaalsContact C-N 3.31Å; F619-L621 HydrophobicContact CD1-CB 3.63Å; F619-L621 HydrophobicContact CD1-CD2 4.5Å; F619-L621 HydrophobicContact CE1-CB 3.74Å; F619-L621 HydrophobicContact CE1-CD2 4.01Å; F619-L621 HydrophobicContact CE1-CG 4.48Å; F619-L621 PolarHBondContact O-N 3.1Å; F619-I633 HydrophobicContact CE2-CG2 4.24Å; F619-V650 HydrophobicContact CE1-CG2 3.71Å; F619-V650 HydrophobicContact CZ-CG2 3.68Å; F619-N691 HydrophobicContact CD1-CB 3.66Å; F619-N691 HydrophobicContact CD2-CB 4.45Å; F619-N691 HydrophobicContact CE1-CB 3.26Å; F619-N691 HydrophobicContact CE2-CB 4.14Å; F619-N691 HydrophobicContact CG-CB 4.23Å; F619-N691 HydrophobicContact CZ-CB 3.53Å
620	K	94	Very high	94.5	Very high	115 Å²	115	57.9 Å²	57.9	50%	0.5	27%	0.266	S	S	.	.			trans	-80.8	72.9	-178.6	-73.7	-179.5	161.6	-165.2	0	110.8	D689 M690 N691	K620-D689 WeakPolarHBondContact CD-O 3.11Å; K620-D689 IonicContact NZ-OD2 2.66Å; K620-D689 PolarHBondContact NZ-OD2 2.77Å; K620-M690 CarbonylContact O-C 3.57Å; K620-M690 WeakPolarHBondContact O-CA 3.23Å; K620-M690 WeakPolarHBondContact O-CB 3.06Å; K620-N691 PolarHBondContact N-OD1 3.03Å; K620-N691 PolarHBondContact O-N 2.79Å
621	L	95.2	Very high	95	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.047	24%	0.242	C	C	.	.			trans	-122.9	142.3	172.1	178.7	63.4	0	0	0	109.5	I602 F619 L623 V650 I693	I602-L621 HydrophobicContact CD1-CB 3.83Å; I602-L621 HydrophobicContact CD1-CD2 3.87Å; I602-L621 HydrophobicContact CD1-CG 3.65Å; I602-L621 WeakPolarHBondContact CD1-O 3.44Å; F619-L621 VanDerWaalsContact C-N 3.31Å; F619-L621 HydrophobicContact CD1-CB 3.63Å; F619-L621 HydrophobicContact CD1-CD2 4.5Å; F619-L621 HydrophobicContact CE1-CB 3.74Å; F619-L621 HydrophobicContact CE1-CD2 4.01Å; F619-L621 HydrophobicContact CE1-CG 4.48Å; F619-L621 PolarHBondContact O-N 3.1Å; L621-L623 HydrophobicContact CD1-CG 4.44Å; L621-L623 HydrophobicContact CD2-CD1 4.02Å; L621-L623 HydrophobicContact CD2-CG 4.2Å; L621-L623 HydrophobicContact CG-CD1 4.47Å; L621-L623 HydrophobicContact CG-CG 4.12Å; L621-V650 HydrophobicContact CD2-CB 4.36Å; L621-V650 HydrophobicContact CD2-CG2 3.75Å; L621-I693 HydrophobicContact CD1-CB 4.11Å; L621-I693 HydrophobicContact CD1-CG2 4.02Å
622	E	95.6	Very high	95.3	Very high	59 Å²	59	53.3 Å²	53.3	28%	0.276	24%	0.238	S	C	.	.			trans	-119.8	134.4	172.5	-66.6	175.5	168.2	0	0	108.4	E310 K599 K684 M690	E310-E622 HydrophobicContact CB-CB 4.47Å; E310-E622 HydrophobicContact CG-CB 4.02Å; K599-E622 WeakPolarHBondContact O-CA 3.5Å; E622-K684 IonicContact OE2-NZ 3.83Å; E622-K684 PolarHBondContact OE2-NZ 2.96Å; E622-M690 HydrophobicContact CB-CE 4Å; E622-M690 HydrophobicContact CG-CE 3.91Å
623	L	97.1	Very high	95.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.223	C	C	.	.			trans	-140.5	140.4	176.4	-72.8	176.8	0	0	0	110.6	L594 A596 G598 K599 I602 L621 R625 F678 V682 I693	L594-L623 HydrophobicContact CD2-CD1 3.65Å; A596-L623 HydrophobicContact CB-CB 3.58Å; A596-L623 HydrophobicContact CB-CD1 4.25Å; G598-L623 CarbonylContact C-O 3.57Å; G598-L623 WeakPolarHBondContact CA-O 3.27Å; K599-L623 PolarHBondContact N-O 2.9Å; K599-L623 PolarHBondContact O-N 3.28Å; K599-L623 VanDerWaalsContact O-N 3.15Å; I602-L623 HydrophobicContact CD1-CB 4.3Å; I602-L623 HydrophobicContact CD1-CD1 4.12Å; I602-L623 HydrophobicContact CD1-CG 4.12Å; L621-L623 HydrophobicContact CD1-CG 4.44Å; L621-L623 HydrophobicContact CD2-CD1 4.02Å; L621-L623 HydrophobicContact CD2-CG 4.2Å; L621-L623 HydrophobicContact CG-CD1 4.47Å; L621-L623 HydrophobicContact CG-CG 4.12Å; L623-R625 PolarHBondContact O-N 3.35Å; L623-F678 HydrophobicContact CD2-CE1 4.06Å; L623-V682 HydrophobicContact CD2-CB 4.28Å; L623-V682 HydrophobicContact CD2-CG1 4.28Å; L623-V682 HydrophobicContact CD2-CG2 3.89Å; L623-I693 HydrophobicContact CD1-CD1 4.27Å; L623-I693 HydrophobicContact CD2-CD1 4Å
624	P	96.8	Very high	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.217	C	C	.	.			trans	-49.2	139.8	171.8	-29.2	35.3	0	0	0	112.5	P308 E310 L311 T627 N659 F678 V682	P308-P624 HydrophobicContact CB-CB 3.78Å; P308-P624 HydrophobicContact CB-CG 4.06Å; E310-P624 HydrophobicContact CB-CG 4.14Å; E310-P624 WeakPolarHBondContact OE2-CA 3.12Å; L311-P624 HydrophobicContact CD2-CG 3.98Å; L311-P624 HydrophobicContact CG-CG 4.34Å; P624-T627 WeakPolarHBondContact O-CB 3.36Å; P624-T627 PolarHBondContact O-OG1 2.85Å; P624-N659 HydrophobicContact CB-CB 4Å; P624-F678 HydrophobicContact CG-CE2 4.19Å; P624-F678 HydrophobicContact CG-CZ 4.13Å; P624-V682 VanDerWaalsContact CD-CG1 3.43Å; P624-V682 HydrophobicContact CG-CG1 3.81Å
625	R	95	Very high	95.2	Very high	68 Å²	68	45.1 Å²	45.1	26%	0.257	21%	0.212	S	C	.	.	S	Bend	trans	-51.4	152.7	169.2	63.7	179.4	172.7	-147.5	-7.8	111.1	Y305 A306 L597 L623 T627 N659	Y305-R625 PolarHBondContact O-NH1 2.87Å; Y305-R625 VanDerWaalsContact O-NH1 3.09Å; Y305-R625 PolarHBondContact O-NH2 2.88Å; A306-R625 PolarHBondContact O-NH2 2.74Å; L597-R625 WeakPolarHBondContact O-CB 3.42Å; L623-R625 PolarHBondContact O-N 3.35Å; R625-T627 VanDerWaalsContact C-N 3.35Å; R625-N659 WeakPolarHBondContact O-CA 3.28Å; R625-N659 PolarHBondContact O-ND2 3.11Å
626	E	96.1	Very high	95.1	Very high	52 Å²	52	41 Å²	41	24%	0.243	19%	0.194	C	C	.	.	S	Bend	trans	66.8	36.4	177.8	-48.9	-172.6	152.3	0	0	113	K548 L552 A596 I657 N659 G660	K548-E626 WeakPolarHBondContact CE-OE1 3.34Å; K548-E626 IonicContact NZ-OE1 2.98Å; K548-E626 PolarHBondContact NZ-OE1 3.43Å; L552-E626 HydrophobicContact CD1-CB 4.47Å; L552-E626 HydrophobicContact CD2-CB 3.84Å; L552-E626 HydrophobicContact CD2-CG 4.11Å; A596-E626 PolarHBondContact O-N 2.82Å; E626-I657 WeakPolarHBondContact O-CG2 3.42Å; E626-N659 WeakPolarHBondContact O-CA 3.28Å; E626-N659 PolarHBondContact O-N 2.85Å; E626-G660 PolarHBondContact O-N 2.72Å
627	T	98.1	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.8	176.2	-58.5	0	0	0	0	109.8	L595 A596 P624 R625 L629 I657 N659 F678	L595-T627 WeakPolarHBondContact CA-O 3.29Å; A596-T627 PolarHBondContact N-O 2.96Å; P624-T627 WeakPolarHBondContact O-CB 3.36Å; P624-T627 PolarHBondContact O-OG1 2.85Å; R625-T627 VanDerWaalsContact C-N 3.35Å; T627-L629 HydrophobicContact CG2-CD1 4.05Å; T627-L629 HydrophobicContact CG2-CD2 4.31Å; T627-L629 HydrophobicContact CG2-CG 3.91Å; T627-I657 CarbonylContact C-O 3.52Å; T627-I657 WeakPolarHBondContact CA-O 3.21Å; T627-N659 PolarHBondContact OG1-N 3.43Å; T627-F678 HydrophobicContact CG2-CE1 3.8Å; T627-F678 HydrophobicContact CG2-CE2 4.47Å; T627-F678 HydrophobicContact CG2-CZ 3.57Å; T627-F678 WeakPolarHBondContact OG1-CZ 3.26Å
628	L	98.1	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.2	177	-179.1	65.9	0	0	0	109.3	F549 T553 F561 L594 L595 W613 L656 I657	F549-L628 HydrophobicContact CD2-CD1 4.25Å; F549-L628 HydrophobicContact CD2-CD2 4.12Å; F549-L628 HydrophobicContact CE2-CD1 4.37Å; F549-L628 HydrophobicContact CE2-CD2 3.97Å; T553-L628 HydrophobicContact CG2-CD2 4.16Å; F561-L628 HydrophobicContact CE1-CD2 4.22Å; F561-L628 HydrophobicContact CZ-CD2 4.46Å; L594-L628 WeakPolarHBondContact O-CA 3.2Å; L595-L628 HydrophobicContact CB-CD1 4.29Å; W613-L628 HydrophobicContact CH2-CD1 4.02Å; L628-L656 HydrophobicContact CB-CB 4.41Å; L628-L656 HydrophobicContact CD2-CB 4.17Å; L628-L656 HydrophobicContact CD2-CD2 4.03Å; L628-L656 HydrophobicContact CG-CB 4.14Å; L628-L656 HydrophobicContact CG-CD2 4.25Å; L628-L656 WeakPolarHBondContact O-CB 3.44Å; L628-L656 PolarHBondContact O-N 3.07Å; L628-L656 VanDerWaalsContact O-N 3.09Å; L628-I657 HydrophobicContact CB-CB 3.98Å; L628-I657 HydrophobicContact CB-CD1 4.35Å; L628-I657 HydrophobicContact CB-CG1 4.2Å; L628-I657 HydrophobicContact CD2-CD1 4.1Å; L628-I657 HydrophobicContact CD2-CG1 4.42Å; L628-I657 PolarHBondContact N-O 2.95Å; L628-I657 PolarHBondContact O-N 3.11Å
629	L	98.4	Very high	95.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.4	-174.9	-59.2	174.3	0	0	0	110.8	F593 L594 T627 V631 V652 A655 L658 I693	F593-L629 WeakPolarHBondContact CA-O 3.41Å; L594-L629 PolarHBondContact N-O 3.34Å; L594-L629 PolarHBondContact O-N 3.11Å; T627-L629 HydrophobicContact CG2-CD1 4.05Å; T627-L629 HydrophobicContact CG2-CD2 4.31Å; T627-L629 HydrophobicContact CG2-CG 3.91Å; L629-V631 HydrophobicContact CB-CG1 3.61Å; L629-V631 HydrophobicContact CD1-CG1 4.45Å; L629-V652 HydrophobicContact CD1-CG2 4.03Å; L629-V652 HydrophobicContact CD2-CG1 4.25Å; L629-A655 HydrophobicContact CD2-CB 4Å; L629-L658 HydrophobicContact CD2-CD2 3.7Å; L629-I693 HydrophobicContact CD1-CD1 4.06Å
630	S	97.4	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.5	159.8	-171	0	0	0	0	108.3	Q591 M653 D654	Q591-S630 WeakPolarHBondContact CG-OG 3.36Å; Q591-S630 PolarHBondContact NE2-OG 2.75Å; S630-M653 PolarHBondContact O-N 3.45Å; S630-D654 PolarHBondContact N-O 2.85Å; S630-D654 PolarHBondContact O-N 3.18Å
631	V	98	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.8	-168.9	-50.9	0	0	0	0	111.9	Q591 I592 L594 L629 V650 H651 V652	Q591-V631 WeakPolarHBondContact CA-O 3.33Å; I592-V631 HydrophobicContact CD1-CG2 4.22Å; I592-V631 HydrophobicContact CG1-CG2 3.65Å; I592-V631 PolarHBondContact N-O 3.03Å; I592-V631 PolarHBondContact O-N 3.49Å; L594-V631 HydrophobicContact CB-CG1 4.11Å; L594-V631 HydrophobicContact CB-CG2 3.85Å; L594-V631 HydrophobicContact CD1-CG1 4.5Å; L594-V631 HydrophobicContact CD1-CG2 4.24Å; L629-V631 HydrophobicContact CB-CG1 3.61Å; L629-V631 HydrophobicContact CD1-CG1 4.45Å; V631-V650 HydrophobicContact CB-CG1 3.8Å; V631-V650 HydrophobicContact CG1-CG1 3.69Å; V631-V650 HydrophobicContact CG2-CG1 4.16Å; V631-H651 CarbonylContact C-O 3.58Å; V631-H651 VanDerWaalsContact CA-O 3.24Å; V631-H651 WeakPolarHBondContact CA-O 3.48Å; V631-V652 HydrophobicContact CG1-CG2 4.31Å
632	E	96.9	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.3	156.5	-63.5	-172.6	150.1	0	0	109	G588 G589 V634 H651 M653 K696 Y741	G588-E632 PolarHBondContact N-OE2 2.85Å; G589-E632 PolarHBondContact N-OE2 3.39Å; G589-E632 VanDerWaalsContact O-OE1 3.13Å; E632-V634 HydrophobicContact CB-CG2 3.84Å; E632-H651 PolarHBondContact N-O 2.75Å; E632-H651 PolarHBondContact O-N 3.05Å; E632-M653 HydrophobicContact CG-CG 4.05Å; E632-M653 HydrophobicContact CG-SD 4.1Å; E632-K696 VanDerWaalsContact OE2-CE 3.23Å; E632-K696 WeakPolarHBondContact OE2-CE 3.49Å; E632-K696 IonicContact OE2-NZ 2.82Å; E632-K696 PolarHBondContact OE2-NZ 2.94Å; E632-Y741 WeakPolarHBondContact OE1-CE2 3.39Å; E632-Y741 PolarHBondContact OE1-OH 3.21Å
633	I	95.8	Very high	92.8	Very high	64 Å²	64	40.2 Å²	40.2	33%	0.328	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114	166	-61.4	173.4	0	0	0	107.4	I592 I616 F619	I592-I633 HydrophobicContact CD1-CD1 3.78Å; I592-I633 HydrophobicContact CD1-CG1 3.97Å; I616-I633 HydrophobicContact CD1-CD1 3.83Å; F619-I633 HydrophobicContact CE2-CG2 4.24Å
634	V	94.8	Very high	92.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.5	-169.7	-178.9	0	0	0	0	109.9	E632 E636 S648 A649 H651 F735	E632-V634 HydrophobicContact CB-CG2 3.84Å; V634-E636 PolarHBondContact O-N 3.38Å; V634-S648 WeakPolarHBondContact O-CA 3.39Å; V634-A649 PolarHBondContact N-O 3.29Å; V634-A649 PolarHBondContact O-N 3.45Å; V634-H651 HydrophobicContact CG2-CB 3.98Å; V634-F735 HydrophobicContact CG1-CB 3.43Å; V634-F735 VanDerWaalsContact CG1-CB 3.43Å; V634-F735 HydrophobicContact CG1-CD1 4.12Å; V634-F735 HydrophobicContact CG1-CD2 3.89Å; V634-F735 HydrophobicContact CG1-CG 3.56Å
635	Q	93.7	Very high	92.1	Very high	113 Å²	113	50.1 Å²	50.1	53%	0.528	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	104.4	168.7	-69.5	-166.5	0.4	0	0	109.8
636	E	93.1	Very high	91.9	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	140.2	170.2	-59.4	-171.1	151.7	0	0	110.5	V634 R646 I647 A649 H651 R694 R733	V634-E636 PolarHBondContact O-N 3.38Å; E636-R646 CarbonylContact O-C 3.53Å; E636-R646 WeakPolarHBondContact O-CA 3.35Å; E636-I647 HydrophobicContact CB-CG2 3.86Å; E636-I647 PolarHBondContact N-O 3.26Å; E636-I647 PolarHBondContact O-N 2.91Å; E636-A649 HydrophobicContact CG-CB 3.95Å; E636-H651 IonicContact OE1-CD2 2.85Å; E636-H651 IonicContact OE1-CE1 2.81Å; E636-H651 IonicContact OE1-NE2 3.7Å; E636-H651 PolarHBondContact OE1-NE2 3.3Å; E636-R694 WeakPolarHBondContact OE1-CD 3.25Å; E636-R694 IonicContact OE1-CZ 3.61Å; E636-R694 IonicContact OE1-NE 2.72Å; E636-R694 PolarHBondContact OE1-NE 3.41Å; E636-R694 IonicContact OE1-NH1 3.23Å; E636-R694 PolarHBondContact OE1-NH1 3.44Å; E636-R694 IonicContact OE2-CZ 3.09Å; E636-R694 IonicContact OE2-NE 2.67Å; E636-R694 IonicContact OE2-NH1 2.66Å; E636-R694 PolarHBondContact OE2-NH1 2.9Å; E636-R733 WeakPolarHBondContact OE2-CD 3.5Å; E636-R733 IonicContact OE2-CZ 3.47Å; E636-R733 IonicContact OE2-NE 2.82Å; E636-R733 IonicContact OE2-NH1 2.84Å; E636-R733 PolarHBondContact OE2-NH1 2.71Å
637	L	92.9	Very high	91.7	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.5	-177.8	-54.5	179.6	0	0	0	108.7	Q644 R645 R646 T716 R733 H734 L736	L637-Q644 HydrophobicContact CB-CG 4.4Å; L637-Q644 HydrophobicContact CD2-CG 4.44Å; L637-R645 WeakPolarHBondContact CA-O 3.32Å; L637-R646 HydrophobicContact CD2-CB 4.3Å; L637-R646 HydrophobicContact CD2-CG 3.61Å; L637-T716 HydrophobicContact CD1-CG2 3.93Å; L637-R733 VanDerWaalsContact O-CA 3.31Å; L637-R733 WeakPolarHBondContact O-CA 3.26Å; L637-H734 WeakPolarHBondContact CB-NE2 3.47Å; L637-H734 WeakPolarHBondContact CB-O 3.31Å; L637-H734 PolarHBondContact N-O 2.99Å; L637-H734 PolarHBondContact O-N 3.43Å; L637-H734 PolarHBondContact O-ND1 3.39Å; L637-H734 VanDerWaalsContact O-ND1 3.14Å; L637-L736 HydrophobicContact CD1-CG 4.42Å
638	K	90.9	Very high	91.5	Very high	91 Å²	91	54.6 Å²	54.6	40%	0.396	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.3	173.8	-178.8	164.8	173.9	139.2	0	109.6	Q644 R645 D732 R733	K638-Q644 WeakPolarHBondContact O-CA 3.49Å; K638-R645 PolarHBondContact N-O 3.4Å; K638-R645 PolarHBondContact O-N 3.39Å; K638-D732 WeakPolarHBondContact CE-OD1 3.4Å; K638-D732 WeakPolarHBondContact CE-OD2 3.47Å; K638-D732 IonicContact NZ-OD1 3.82Å; K638-D732 PolarHBondContact NZ-OD1 2.77Å; K638-D732 IonicContact NZ-OD2 3.56Å; K638-D732 PolarHBondContact NZ-OD2 2.91Å; K638-R733 HydrophobicContact CB-CG 4.4Å
639	G	87.8	Confident	91.3	Very high	39 Å²	39	54.6 Å²	54.6	40%	0.402	28%	0.276	S	S	.	.	S	Bend	trans	68.7	-179.3	-170.2	0	0	0	0	0	113.9	Q644	G639-Q644 WeakPolarHBondContact O-CG 3.15Å; G639-Q644 PolarHBondContact O-NE2 3.1Å; G639-Q644 VanDerWaalsContact O-NE2 3.08Å
640	E	85.2	Confident	91.2	Very high	84 Å²	84	54.5 Å²	54.5	39%	0.393	28%	0.276	S	S	.	.			trans	-129.5	165.6	-171.4	-67.2	-169	-141.2	0	0	113.1	K642 A643 Q644 K714 M715	E640-K642 PolarHBondContact O-N 3.07Å; E640-A643 PolarHBondContact O-N 2.89Å; E640-Q644 PolarHBondContact O-N 3.45Å; E640-K714 HydrophobicContact CG-CB 4.33Å; E640-K714 HydrophobicContact CG-CD 4.47Å; E640-K714 VanDerWaalsContact OE1-CD 3.29Å; E640-K714 WeakPolarHBondContact OE1-CD 3.47Å; E640-K714 WeakPolarHBondContact OE1-CE 3.37Å; E640-K714 VanDerWaalsContact OE1-CG 3.29Å; E640-K714 WeakPolarHBondContact OE1-CG 3.23Å; E640-M715 HydrophobicContact CB-CB 4.47Å; E640-M715 PolarHBondContact OE2-N 3.25Å
641	G	80.9	Confident	91.2	Very high	29 Å²	29	55 Å²	55	30%	0.299	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	59.1	-130.5	175.2	0	0	0	0	0	113.5	Q644 M715	G641-Q644 WeakPolarHBondContact O-CB 3.42Å; G641-M715 PolarHBondContact N-O 2.91Å
642	K	79.4	Confident	91.2	Very high	209 Å²	209	55 Å²	55	91%	0.909	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-71.3	-27.6	-177.1	-68.3	-175.2	-180	178.8	0	113.5	E640	E640-K642 PolarHBondContact O-N 3.07Å
643	A	82.8	Confident	91.2	Very high	81 Å²	81	55.3 Å²	55.3	67%	0.669	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-87.3	-5.5	-178.4	0	0	0	0	0	113.6	E640 R645	E640-A643 PolarHBondContact O-N 2.89Å; A643-R645 PolarHBondContact O-N 3.09Å
644	Q	89	Confident	91.3	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.047	27%	0.266	C	S	.	.			trans	-57.7	121.5	-178.9	178.8	168.4	88.8	0	0	112.2	L637 K638 G639 E640 G641	L637-Q644 HydrophobicContact CB-CG 4.4Å; L637-Q644 HydrophobicContact CD2-CG 4.44Å; K638-Q644 WeakPolarHBondContact O-CA 3.49Å; G639-Q644 WeakPolarHBondContact O-CG 3.15Å; G639-Q644 PolarHBondContact O-NE2 3.1Å; G639-Q644 VanDerWaalsContact O-NE2 3.08Å; E640-Q644 PolarHBondContact O-N 3.45Å; G641-Q644 WeakPolarHBondContact O-CB 3.42Å
645	R	89.4	Confident	91.4	Very high	199 Å²	199	52.6 Å²	52.6	75%	0.751	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	148.6	170.1	-60.5	-175.3	-176.9	-173.1	0.9	109.7	L637 K638 A643	L637-R645 WeakPolarHBondContact CA-O 3.32Å; K638-R645 PolarHBondContact N-O 3.4Å; K638-R645 PolarHBondContact O-N 3.39Å; A643-R645 PolarHBondContact O-N 3.09Å
646	R	91.3	Very high	91.6	Very high	119 Å²	119	47.2 Å²	47.2	45%	0.449	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.7	177.1	-55.3	-161.4	170.1	165	-2.1	110.1	E636 L637 K717	E636-R646 CarbonylContact O-C 3.53Å; E636-R646 WeakPolarHBondContact O-CA 3.35Å; L637-R646 HydrophobicContact CD2-CB 4.3Å; L637-R646 HydrophobicContact CD2-CG 3.61Å; R646-K717 PolarHBondContact NH2-O 3.49Å
647	I	91.6	Very high	91.8	Very high	51 Å²	51	47.1 Å²	47.1	26%	0.262	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	130.3	173.3	-171.4	167.5	0	0	0	109.6	E636 P692	E636-I647 HydrophobicContact CB-CG2 3.86Å; E636-I647 PolarHBondContact N-O 3.26Å; E636-I647 PolarHBondContact O-N 2.91Å; I647-P692 HydrophobicContact CD1-CG 4Å
648	S	93.8	Very high	92	Very high	43 Å²	43	46.8 Å²	46.8	30%	0.301	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.1	173.7	-54.7	0	0	0	0	109.4	V634 N691	V634-S648 WeakPolarHBondContact O-CA 3.39Å; S648-N691 PolarHBondContact O-ND2 2.98Å
649	A	94.6	Very high	92.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.4	179.5	0	0	0	0	0	110.9	V634 E636 P692	V634-A649 PolarHBondContact N-O 3.29Å; V634-A649 PolarHBondContact O-N 3.45Å; E636-A649 HydrophobicContact CG-CB 3.95Å; A649-P692 CarbonylContact C-O 3.52Å; A649-P692 VanDerWaalsContact CA-O 3.29Å; A649-P692 WeakPolarHBondContact CA-O 3.45Å; A649-P692 HydrophobicContact CB-CB 4.04Å; A649-P692 HydrophobicContact CB-CG 4.27Å
650	V	96.7	Very high	92.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.6	167.6	175.1	0	0	0	0	108.1	L594 F619 L621 V631 P692 I693 R694	L594-V650 HydrophobicContact CD1-CG1 4.04Å; L594-V650 HydrophobicContact CD1-CG2 4.11Å; F619-V650 HydrophobicContact CE1-CG2 3.71Å; F619-V650 HydrophobicContact CZ-CG2 3.68Å; L621-V650 HydrophobicContact CD2-CB 4.36Å; L621-V650 HydrophobicContact CD2-CG2 3.75Å; V631-V650 HydrophobicContact CB-CG1 3.8Å; V631-V650 HydrophobicContact CG1-CG1 3.69Å; V631-V650 HydrophobicContact CG2-CG1 4.16Å; V650-P692 PolarHBondContact N-O 2.94Å; V650-I693 HydrophobicContact CB-CB 4.3Å; V650-I693 HydrophobicContact CB-CG1 4.04Å; V650-I693 HydrophobicContact CG1-CD1 4.1Å; V650-I693 HydrophobicContact CG1-CG1 3.99Å; V650-I693 CarbonylContact O-C 3.56Å; V650-I693 WeakPolarHBondContact O-CA 3.47Å; V650-R694 PolarHBondContact O-N 3Å
651	H	97.1	Very high	93.1	Very high	11 Å²	11	40.4 Å²	40.4	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	108.7	175.1	-80.2	-156.8	0	0	0	109.2	V631 E632 V634 E636 M653 R694 K696 F735	V631-H651 CarbonylContact C-O 3.58Å; V631-H651 VanDerWaalsContact CA-O 3.24Å; V631-H651 WeakPolarHBondContact CA-O 3.48Å; E632-H651 PolarHBondContact N-O 2.75Å; E632-H651 PolarHBondContact O-N 3.05Å; V634-H651 HydrophobicContact CG2-CB 3.98Å; E636-H651 IonicContact OE1-CD2 2.85Å; E636-H651 IonicContact OE1-CE1 2.81Å; E636-H651 IonicContact OE1-NE2 3.7Å; E636-H651 PolarHBondContact OE1-NE2 3.3Å; H651-M653 PolarHBondContact O-N 3.02Å; H651-R694 CarbonylContact C-O 3.54Å; H651-R694 WeakPolarHBondContact CA-O 3.46Å; H651-K696 HydrophobicContact CB-CD 4.22Å; H651-K696 VanDerWaalsContact CB-CE 3.45Å; H651-K696 HydrophobicContact CB-CG 3.8Å; H651-K696 WeakPolarHBondContact ND1-CE 3.49Å; H651-F735 AromaticContact CE1-CD1 3.99Å
652	V	98.1	Very high	93.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.5	180	-173.3	0	0	0	0	110.1	L629 V631 A675 V679 I693 R694 V695 K696	L629-V652 HydrophobicContact CD1-CG2 4.03Å; L629-V652 HydrophobicContact CD2-CG1 4.25Å; V631-V652 HydrophobicContact CG1-CG2 4.31Å; V652-A675 HydrophobicContact CG1-CB 4.24Å; V652-V679 HydrophobicContact CG2-CG2 4.31Å; V652-I693 HydrophobicContact CG2-CD1 3.88Å; V652-I693 HydrophobicContact CG2-CG1 3.88Å; V652-R694 PolarHBondContact N-O 3.38Å; V652-V695 HydrophobicContact CB-CG2 4.34Å; V652-K696 PolarHBondContact O-N 3.2Å
653	M	97.1	Very high	94.6	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-35.7	178.3	-62.2	-66.1	-69.8	0	0	111.9	I585 S630 E632 H651 I672 K696 Y741	I585-M653 HydrophobicContact CB-CE 4.11Å; I585-M653 HydrophobicContact CD1-CE 4.34Å; I585-M653 HydrophobicContact CG2-CE 3.66Å; I585-M653 HydrophobicContact CG2-SD 3.86Å; S630-M653 PolarHBondContact O-N 3.45Å; E632-M653 HydrophobicContact CG-CG 4.05Å; E632-M653 HydrophobicContact CG-SD 4.1Å; H651-M653 PolarHBondContact O-N 3.02Å; M653-I672 WeakPolarHBondContact O-CD1 3.2Å; M653-K696 HydrophobicContact SD-CB 4.29Å; M653-K696 HydrophobicContact SD-CD 3.58Å; M653-K696 VanDerWaalsContact SD-CD 3.58Å; M653-K696 HydrophobicContact SD-CG 3.7Å; M653-Y741 HydrophobicContact CE-CD1 4.44Å; M653-Y741 HydrophobicContact CE-CD2 3.44Å; M653-Y741 VanDerWaalsContact CE-CD2 3.44Å; M653-Y741 HydrophobicContact CE-CE2 3.61Å; M653-Y741 HydrophobicContact CE-CG 3.89Å
654	D	97.3	Very high	95.1	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.043	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	151.7	175.6	-155.2	-19.4	0	0	0	109.8	S630 F668 R671	S630-D654 PolarHBondContact N-O 2.85Å; S630-D654 PolarHBondContact O-N 3.18Å; D654-F668 HydrophobicContact CB-CE2 4.48Å; D654-R671 WeakPolarHBondContact OD1-CB 3.41Å; D654-R671 IonicContact OD1-CZ 2.83Å; D654-R671 IonicContact OD1-NE 2.71Å; D654-R671 PolarHBondContact OD1-NE 3.45Å; D654-R671 IonicContact OD1-NH2 3.68Å; D654-R671 IonicContact OD2-CZ 2.69Å; D654-R671 IonicContact OD2-NE 3.76Å; D654-R671 PolarHBondContact OD2-NE 2.97Å; D654-R671 IonicContact OD2-NH2 3.47Å; D654-R671 PolarHBondContact OD2-NH2 3.44Å
655	A	97.3	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.6	174.7	0	0	0	0	0	110.4	L629 L658 V663 R671 A675	L629-A655 HydrophobicContact CD2-CB 4Å; A655-L658 HydrophobicContact CB-CD1 4.2Å; A655-L658 HydrophobicContact CB-CD2 4.01Å; A655-L658 HydrophobicContact CB-CG 4.25Å; A655-V663 HydrophobicContact CB-CG2 4.1Å; A655-V663 WeakPolarHBondContact O-CG2 3.44Å; A655-R671 WeakPolarHBondContact O-CD 3.44Å; A655-A675 HydrophobicContact CB-CB 3.93Å
656	L	96.8	Very high	95.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-50.8	178.9	-65.7	77.9	0	0	0	110.3	F561 F593 L628 V663 R664 F783	F561-L656 HydrophobicContact CD1-CD2 4.32Å; F561-L656 HydrophobicContact CE1-CD2 3.39Å; F561-L656 HydrophobicContact CZ-CD2 3.96Å; F593-L656 HydrophobicContact CE1-CD2 4.3Å; L628-L656 HydrophobicContact CB-CB 4.41Å; L628-L656 HydrophobicContact CD2-CB 4.17Å; L628-L656 HydrophobicContact CD2-CD2 4.03Å; L628-L656 HydrophobicContact CG-CB 4.14Å; L628-L656 HydrophobicContact CG-CD2 4.25Å; L628-L656 WeakPolarHBondContact O-CB 3.44Å; L628-L656 PolarHBondContact O-N 3.07Å; L628-L656 VanDerWaalsContact O-N 3.09Å; L656-V663 VanDerWaalsContact O-CG2 3.31Å; L656-V663 WeakPolarHBondContact O-CG2 3.42Å; L656-V663 PolarHBondContact O-N 2.61Å; L656-R664 HydrophobicContact CB-CG 3.77Å; L656-R664 HydrophobicContact CG-CG 4.15Å; L656-R664 PolarHBondContact O-N 2.88Å; L656-F783 HydrophobicContact CD1-CD2 4.13Å; L656-F783 HydrophobicContact CD1-CE2 3.98Å; L656-F783 HydrophobicContact CD1-CZ 4.48Å; L656-F783 HydrophobicContact CD2-CD1 3.89Å; L656-F783 HydrophobicContact CD2-CD2 4.22Å; L656-F783 HydrophobicContact CD2-CE1 3.68Å; L656-F783 HydrophobicContact CD2-CE2 4.02Å; L656-F783 HydrophobicContact CD2-CG 4.18Å; L656-F783 HydrophobicContact CD2-CZ 3.77Å; L656-F783 HydrophobicContact CG-CD1 4.27Å; L656-F783 HydrophobicContact CG-CD2 3.93Å; L656-F783 HydrophobicContact CG-CE1 4.41Å; L656-F783 HydrophobicContact CG-CE2 4.07Å; L656-F783 HydrophobicContact CG-CG 4.06Å; L656-F783 HydrophobicContact CG-CZ 4.33Å
657	I	97.7	Very high	95.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	129.2	-180	-50.5	176.8	0	0	0	108.7	L552 E626 T627 L628 T661	L552-I657 HydrophobicContact CB-CD1 3.65Å; L552-I657 VanDerWaalsContact O-CD1 3.31Å; L552-I657 WeakPolarHBondContact O-CD1 3.33Å; E626-I657 WeakPolarHBondContact O-CG2 3.42Å; T627-I657 CarbonylContact C-O 3.52Å; T627-I657 WeakPolarHBondContact CA-O 3.21Å; L628-I657 HydrophobicContact CB-CB 3.98Å; L628-I657 HydrophobicContact CB-CD1 4.35Å; L628-I657 HydrophobicContact CB-CG1 4.2Å; L628-I657 HydrophobicContact CD2-CD1 4.1Å; L628-I657 HydrophobicContact CD2-CG1 4.42Å; L628-I657 PolarHBondContact N-O 2.95Å; L628-I657 PolarHBondContact O-N 3.11Å; I657-T661 CarbonylContact C-O 3.52Å; I657-T661 VanDerWaalsContact CA-O 3.27Å; I657-T661 WeakPolarHBondContact CA-O 3.34Å
658	L	97.6	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	103.3	-176.3	-61	177.2	0	0	0	109.2	W284 L629 A655 G660 T661 M674 F678	W284-L658 HydrophobicContact CD2-CB 4.21Å; W284-L658 HydrophobicContact CE3-CD1 4.48Å; W284-L658 HydrophobicContact CH2-CB 4.47Å; W284-L658 HydrophobicContact CH2-CD1 3.63Å; W284-L658 HydrophobicContact CZ2-CB 4.03Å; W284-L658 HydrophobicContact CZ2-CD1 3.96Å; W284-L658 HydrophobicContact CZ3-CD1 3.92Å; W284-L658 PolarHBondContact NE1-O 3.39Å; L629-L658 HydrophobicContact CD2-CD2 3.7Å; A655-L658 HydrophobicContact CB-CD1 4.2Å; A655-L658 HydrophobicContact CB-CD2 4.01Å; A655-L658 HydrophobicContact CB-CG 4.25Å; L658-G660 VanDerWaalsContact C-N 3.33Å; L658-G660 PolarHBondContact O-N 3.47Å; L658-T661 PolarHBondContact N-O 2.9Å; L658-T661 WeakPolarHBondContact O-CB 3.45Å; L658-T661 PolarHBondContact O-N 3.48Å; L658-T661 PolarHBondContact O-OG1 3.37Å; L658-M674 HydrophobicContact CD1-CB 3.83Å; L658-F678 HydrophobicContact CB-CD2 4.01Å; L658-F678 HydrophobicContact CB-CE2 4.37Å; L658-F678 HydrophobicContact CD1-CB 4.15Å; L658-F678 HydrophobicContact CD2-CB 4.11Å; L658-F678 HydrophobicContact CD2-CD1 3.94Å; L658-F678 HydrophobicContact CD2-CD2 3.97Å; L658-F678 HydrophobicContact CD2-CE1 4.33Å; L658-F678 HydrophobicContact CD2-CE2 4.38Å; L658-F678 HydrophobicContact CD2-CG 3.74Å; L658-F678 HydrophobicContact CG-CD2 4.44Å
659	N	96.1	Very high	95.8	Very high	8 Å²	8	22 Å²	22	4%	0.043	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.2	56	-176.4	-175.1	-131.2	0	0	0	113.3	W284 P624 R625 E626 T627 T661 F678	W284-N659 HydrophobicContact CB-CB 4.26Å; W284-N659 HydrophobicContact CG-CB 4.35Å; P624-N659 HydrophobicContact CB-CB 4Å; R625-N659 WeakPolarHBondContact O-CA 3.28Å; R625-N659 PolarHBondContact O-ND2 3.11Å; E626-N659 WeakPolarHBondContact O-CA 3.28Å; E626-N659 PolarHBondContact O-N 2.85Å; T627-N659 PolarHBondContact OG1-N 3.43Å; N659-T661 VanDerWaalsContact C-N 3.29Å; N659-T661 PolarHBondContact O-N 3.22Å; N659-F678 HydrophobicContact CB-CE2 4.37Å
660	G	95	Very high	95.8	Very high	31 Å²	31	25.4 Å²	25.4	32%	0.32	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-3.8	-179.5	0	0	0	0	0	115.1	E626 L658	E626-G660 PolarHBondContact O-N 2.72Å; L658-G660 VanDerWaalsContact C-N 3.33Å; L658-G660 PolarHBondContact O-N 3.47Å
661	T	95.6	Very high	95.8	Very high	42 Å²	42	25.4 Å²	25.4	26%	0.258	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.1	178.3	-42.3	0	0	0	0	109.8	W284 I657 L658 N659 V663	W284-T661 HydrophobicContact CZ2-CG2 4.47Å; W284-T661 PolarHBondContact NE1-OG1 2.84Å; I657-T661 CarbonylContact C-O 3.52Å; I657-T661 VanDerWaalsContact CA-O 3.27Å; I657-T661 WeakPolarHBondContact CA-O 3.34Å; L658-T661 PolarHBondContact N-O 2.9Å; L658-T661 WeakPolarHBondContact O-CB 3.45Å; L658-T661 PolarHBondContact O-N 3.48Å; L658-T661 PolarHBondContact O-OG1 3.37Å; N659-T661 VanDerWaalsContact C-N 3.29Å; N659-T661 PolarHBondContact O-N 3.22Å; T661-V663 HydrophobicContact CG2-CG1 4.25Å; T661-V663 PolarHBondContact O-N 2.91Å
662	D	95.8	Very high	95.7	Very high	47 Å²	47	25.3 Å²	25.3	25%	0.251	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.7	176	-168.3	-5.1	0	0	0	110.3	R664	D662-R664 WeakPolarHBondContact OD1-CB 3.43Å; D662-R664 WeakPolarHBondContact OD1-CG 3.35Å; D662-R664 IonicContact OD1-CZ 3.12Å; D662-R664 PolarHBondContact OD1-N 3.23Å; D662-R664 IonicContact OD1-NE 3.85Å; D662-R664 PolarHBondContact OD1-NE 3.32Å; D662-R664 IonicContact OD1-NH2 3.57Å; D662-R664 IonicContact OD2-CZ 3.37Å; D662-R664 IonicContact OD2-NE 2.68Å; D662-R664 PolarHBondContact OD2-NE 2.99Å; D662-R664 IonicContact OD2-NH2 2.65Å; D662-R664 PolarHBondContact OD2-NH2 3.43Å
663	V	95.6	Very high	95.6	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	16%	0.161	C	C	.	.			trans	-115.6	3.3	-176.4	-58.1	0	0	0	0	112.7	A655 L656 T661 D665 Q666 R671 M674	A655-V663 HydrophobicContact CB-CG2 4.1Å; A655-V663 WeakPolarHBondContact O-CG2 3.44Å; L656-V663 VanDerWaalsContact O-CG2 3.31Å; L656-V663 WeakPolarHBondContact O-CG2 3.42Å; L656-V663 PolarHBondContact O-N 2.61Å; T661-V663 HydrophobicContact CG2-CG1 4.25Å; T661-V663 PolarHBondContact O-N 2.91Å; V663-D665 PolarHBondContact O-N 3.03Å; V663-D665 VanDerWaalsContact O-N 3.08Å; V663-Q666 HydrophobicContact CB-CG 4.35Å; V663-Q666 WeakPolarHBondContact O-CB 3.39Å; V663-Q666 PolarHBondContact O-N 3.31Å; V663-R671 HydrophobicContact CG2-CG 4.38Å; V663-R671 WeakPolarHBondContact O-CD 3.17Å; V663-R671 WeakPolarHBondContact O-CG 3.47Å; V663-M674 HydrophobicContact CB-CE 4.46Å; V663-M674 HydrophobicContact CB-SD 4.25Å; V663-M674 HydrophobicContact CG1-CE 3.41Å; V663-M674 VanDerWaalsContact CG1-CE 3.41Å; V663-M674 HydrophobicContact CG1-SD 3.78Å
664	R	94.5	Very high	95.5	Very high	28 Å²	28	32.6 Å²	32.6	11%	0.106	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.8	-172.3	-71.1	178.7	-67.5	159.8	1.1	114.1	S556 L656 D662 P782 F783	S556-R664 PolarHBondContact OG-NH1 3.31Å; L656-R664 HydrophobicContact CB-CG 3.77Å; L656-R664 HydrophobicContact CG-CG 4.15Å; L656-R664 PolarHBondContact O-N 2.88Å; D662-R664 WeakPolarHBondContact OD1-CB 3.43Å; D662-R664 WeakPolarHBondContact OD1-CG 3.35Å; D662-R664 IonicContact OD1-CZ 3.12Å; D662-R664 PolarHBondContact OD1-N 3.23Å; D662-R664 IonicContact OD1-NE 3.85Å; D662-R664 PolarHBondContact OD1-NE 3.32Å; D662-R664 IonicContact OD1-NH2 3.57Å; D662-R664 IonicContact OD2-CZ 3.37Å; D662-R664 IonicContact OD2-NE 2.68Å; D662-R664 PolarHBondContact OD2-NE 2.99Å; D662-R664 IonicContact OD2-NH2 2.65Å; D662-R664 PolarHBondContact OD2-NH2 3.43Å; R664-P782 CarbonylContact O-C 3.58Å; R664-P782 WeakPolarHBondContact O-CA 3.39Å; R664-F783 HydrophobicContact CB-CB 4.03Å; R664-F783 HydrophobicContact CG-CB 4.19Å; R664-F783 PolarHBondContact O-N 3.48Å
665	D	93	Very high	95.6	Very high	116 Å²	116	32.3 Å²	32.3	62%	0.62	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.8	-177.8	-61.1	-43.8	0	0	0	114.4	V663	V663-D665 PolarHBondContact O-N 3.03Å; V663-D665 VanDerWaalsContact O-N 3.08Å
666	Q	93.9	Very high	95.5	Very high	91 Å²	91	36.2 Å²	36.2	43%	0.425	19%	0.188	S	C	.	.	S	Bend	trans	-70.8	156.6	173.8	-57.2	-57.7	-47.9	0	0	110.8	V663 Q670 R671 M674	V663-Q666 HydrophobicContact CB-CG 4.35Å; V663-Q666 WeakPolarHBondContact O-CB 3.39Å; V663-Q666 PolarHBondContact O-N 3.31Å; Q666-Q670 HydrophobicContact CB-CB 4.27Å; Q666-R671 HydrophobicContact CB-CG 3.93Å; Q666-R671 PolarHBondContact O-NH1 3.46Å; Q666-M674 HydrophobicContact CG-SD 4.48Å
667	H	93.9	Very high	95.5	Very high	13 Å²	13	37 Å²	37	6%	0.06	19%	0.191	C	C	.	.			trans	-60.6	144.4	176.1	175.3	-82.5	0	0	0	110.9	N669 Q670 R671 T745 M775 A780	H667-N669 PolarHBondContact ND1-N 3.08Å; H667-N669 PolarHBondContact O-N 2.86Å; H667-Q670 HydrophobicContact CB-CG 4.28Å; H667-Q670 WeakPolarHBondContact O-CA 3.43Å; H667-Q670 VanDerWaalsContact O-CB 3.3Å; H667-Q670 WeakPolarHBondContact O-CB 3.16Å; H667-Q670 PolarHBondContact O-N 2.83Å; H667-R671 PolarHBondContact O-N 2.84Å; H667-R671 VanDerWaalsContact O-N 3.09Å; H667-T745 PolarHBondContact CD2-O 2.97Å; H667-T745 PolarHBondContact NE2-O 2.94Å; H667-M775 HydrophobicContact CB-CE 4.08Å; H667-M775 HydrophobicContact CB-SD 4.45Å; H667-M775 VanDerWaalsContact CD2-SD 3.58Å; H667-A780 HydrophobicContact CB-CB 3.82Å
668	F	95.6	Very high	95.5	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-44	-55	-177.7	-179.4	-102.1	0	0	0	114.2	R583 I585 D654 Q670 R671 I672 V698 I743 T745 C786	R583-F668 HydrophobicContact CB-CD1 4.48Å; R583-F668 HydrophobicContact CB-CE1 4.24Å; R583-F668 HydrophobicContact CG-CD1 4.22Å; R583-F668 HydrophobicContact CG-CE1 4.41Å; I585-F668 HydrophobicContact CD1-CZ 4.02Å; D654-F668 HydrophobicContact CB-CE2 4.48Å; F668-Q670 PolarHBondContact O-N 3.3Å; F668-R671 WeakPolarHBondContact O-CB 3.42Å; F668-R671 PolarHBondContact O-N 2.92Å; F668-R671 VanDerWaalsContact O-N 3.08Å; F668-I672 HydrophobicContact CD1-CG1 4.26Å; F668-I672 HydrophobicContact CE1-CD1 4.31Å; F668-I672 HydrophobicContact CE1-CG1 3.82Å; F668-I672 HydrophobicContact CE2-CD1 4.15Å; F668-I672 HydrophobicContact CE2-CG1 4.17Å; F668-I672 HydrophobicContact CZ-CD1 3.78Å; F668-I672 HydrophobicContact CZ-CG1 3.76Å; F668-I672 WeakPolarHBondContact O-CG1 3.44Å; F668-I672 PolarHBondContact O-N 3.25Å; F668-V698 HydrophobicContact CE1-CG1 3.84Å; F668-V698 HydrophobicContact CE1-CG2 4.03Å; F668-V698 HydrophobicContact CZ-CG2 4.36Å; F668-I743 HydrophobicContact CD2-CG2 4.02Å; F668-I743 HydrophobicContact CE1-CD1 4.43Å; F668-I743 HydrophobicContact CE2-CD1 3.88Å; F668-I743 HydrophobicContact CE2-CG2 3.98Å; F668-I743 HydrophobicContact CG-CG2 4.42Å; F668-I743 HydrophobicContact CZ-CD1 3.61Å; F668-I743 HydrophobicContact CZ-CG2 4.31Å; F668-T745 HydrophobicContact CB-CG2 3.55Å; F668-T745 HydrophobicContact CD1-CG2 3.57Å; F668-T745 HydrophobicContact CG-CG2 3.7Å; F668-C786 HydrophobicContact CD2-CB 4.43Å
669	N	93.4	Very high	95.4	Very high	57 Å²	57	37.7 Å²	37.7	31%	0.305	20%	0.196	S	C	.	.	H	α-helix	trans	-56.8	-33	177.6	-68.2	10.1	0	0	0	113.6	H667 Q673	H667-N669 PolarHBondContact ND1-N 3.08Å; H667-N669 PolarHBondContact O-N 2.86Å; N669-Q673 VanDerWaalsContact O-CG 3.32Å; N669-Q673 WeakPolarHBondContact O-CG 3.46Å; N669-Q673 PolarHBondContact O-N 3.44Å
670	Q	93.7	Very high	95.4	Very high	70 Å²	70	41.2 Å²	41.2	33%	0.327	21%	0.211	S	C	.	.	H	α-helix	trans	-72.1	-42	177.3	-64.6	167.6	-29	0	0	110.4	Q666 H667 F668 I672 Q673 M674	Q666-Q670 HydrophobicContact CB-CB 4.27Å; H667-Q670 HydrophobicContact CB-CG 4.28Å; H667-Q670 WeakPolarHBondContact O-CA 3.43Å; H667-Q670 VanDerWaalsContact O-CB 3.3Å; H667-Q670 WeakPolarHBondContact O-CB 3.16Å; H667-Q670 PolarHBondContact O-N 2.83Å; F668-Q670 PolarHBondContact O-N 3.3Å; Q670-I672 PolarHBondContact O-N 3.45Å; Q670-Q673 PolarHBondContact O-N 2.79Å; Q670-M674 WeakPolarHBondContact O-CB 3.26Å; Q670-M674 VanDerWaalsContact O-CG 3.22Å; Q670-M674 WeakPolarHBondContact O-CG 3.45Å; Q670-M674 PolarHBondContact O-N 2.64Å
671	R	96	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-38.5	173.6	-58	-166.7	-53.7	-100.2	8.1	111.5	D654 A655 V663 Q666 H667 F668 M674 A675 A781 C786	D654-R671 WeakPolarHBondContact OD1-CB 3.41Å; D654-R671 IonicContact OD1-CZ 2.83Å; D654-R671 IonicContact OD1-NE 2.71Å; D654-R671 PolarHBondContact OD1-NE 3.45Å; D654-R671 IonicContact OD1-NH2 3.68Å; D654-R671 IonicContact OD2-CZ 2.69Å; D654-R671 IonicContact OD2-NE 3.76Å; D654-R671 PolarHBondContact OD2-NE 2.97Å; D654-R671 IonicContact OD2-NH2 3.47Å; D654-R671 PolarHBondContact OD2-NH2 3.44Å; A655-R671 WeakPolarHBondContact O-CD 3.44Å; V663-R671 HydrophobicContact CG2-CG 4.38Å; V663-R671 WeakPolarHBondContact O-CD 3.17Å; V663-R671 WeakPolarHBondContact O-CG 3.47Å; Q666-R671 HydrophobicContact CB-CG 3.93Å; Q666-R671 PolarHBondContact O-NH1 3.46Å; H667-R671 PolarHBondContact O-N 2.84Å; H667-R671 VanDerWaalsContact O-N 3.09Å; F668-R671 WeakPolarHBondContact O-CB 3.42Å; F668-R671 PolarHBondContact O-N 2.92Å; F668-R671 VanDerWaalsContact O-N 3.08Å; R671-M674 PolarHBondContact O-N 3.38Å; R671-A675 WeakPolarHBondContact O-CB 3.22Å; R671-A675 PolarHBondContact O-N 3.46Å; R671-A781 PolarHBondContact NH1-O 3.22Å; R671-C786 PolarHBondContact NH2-SG 3.27Å
672	I	96.6	Very high	95.5	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-47.4	174.7	-63.2	-69	0	0	0	111.7	M653 F668 Q670 M674 A675 E676 V695 V698	M653-I672 WeakPolarHBondContact O-CD1 3.2Å; F668-I672 HydrophobicContact CD1-CG1 4.26Å; F668-I672 HydrophobicContact CE1-CD1 4.31Å; F668-I672 HydrophobicContact CE1-CG1 3.82Å; F668-I672 HydrophobicContact CE2-CD1 4.15Å; F668-I672 HydrophobicContact CE2-CG1 4.17Å; F668-I672 HydrophobicContact CZ-CD1 3.78Å; F668-I672 HydrophobicContact CZ-CG1 3.76Å; F668-I672 WeakPolarHBondContact O-CG1 3.44Å; F668-I672 PolarHBondContact O-N 3.25Å; Q670-I672 PolarHBondContact O-N 3.45Å; I672-M674 VanDerWaalsContact C-N 3.29Å; I672-M674 PolarHBondContact O-N 2.8Å; I672-A675 CarbonylContact O-C 3.55Å; I672-A675 WeakPolarHBondContact O-CA 3.47Å; I672-A675 WeakPolarHBondContact O-CB 3.38Å; I672-A675 PolarHBondContact O-N 3.24Å; I672-A675 VanDerWaalsContact O-N 3.1Å; I672-E676 WeakPolarHBondContact O-CG 3.37Å; I672-E676 PolarHBondContact O-N 2.96Å; I672-V695 HydrophobicContact CD1-CG1 4.41Å; I672-V695 HydrophobicContact CG2-CG1 4.05Å; I672-V698 HydrophobicContact CB-CG2 4.48Å; I672-V698 HydrophobicContact CD1-CG2 4.05Å; I672-V698 HydrophobicContact CG1-CG2 3.98Å; I672-V698 HydrophobicContact CG2-CG2 3.84Å
673	Q	95.3	Very high	95.5	Very high	111 Å²	111	37.4 Å²	37.4	52%	0.519	19%	0.186	S	C	.	.	H	α-helix	trans	-60.5	-38.7	175.1	-73.3	168.5	-15	0	0	112.3	N669 Q670 E676 K677	N669-Q673 VanDerWaalsContact O-CG 3.32Å; N669-Q673 WeakPolarHBondContact O-CG 3.46Å; N669-Q673 PolarHBondContact O-N 3.44Å; Q670-Q673 PolarHBondContact O-N 2.79Å; Q673-E676 PolarHBondContact O-N 3.23Å; Q673-K677 PolarHBondContact O-N 3.1Å
674	M	96	Very high	95.4	Very high	48 Å²	48	38.6 Å²	38.6	24%	0.236	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-38.9	173.8	-69.1	176.7	89.5	0	0	111.5	W284 L658 V663 Q666 Q670 R671 I672 K677 F678	W284-M674 HydrophobicContact CH2-CB 3.91Å; W284-M674 HydrophobicContact CH2-CE 3.75Å; W284-M674 HydrophobicContact CH2-CG 4.19Å; W284-M674 HydrophobicContact CZ2-CE 3.82Å; W284-M674 HydrophobicContact CZ3-CB 4.47Å; W284-M674 WeakPolarHBondContact CZ3-O 3.28Å; L658-M674 HydrophobicContact CD1-CB 3.83Å; V663-M674 HydrophobicContact CB-CE 4.46Å; V663-M674 HydrophobicContact CB-SD 4.25Å; V663-M674 HydrophobicContact CG1-CE 3.41Å; V663-M674 VanDerWaalsContact CG1-CE 3.41Å; V663-M674 HydrophobicContact CG1-SD 3.78Å; Q666-M674 HydrophobicContact CG-SD 4.48Å; Q670-M674 WeakPolarHBondContact O-CB 3.26Å; Q670-M674 VanDerWaalsContact O-CG 3.22Å; Q670-M674 WeakPolarHBondContact O-CG 3.45Å; Q670-M674 PolarHBondContact O-N 2.64Å; R671-M674 PolarHBondContact O-N 3.38Å; I672-M674 VanDerWaalsContact C-N 3.29Å; I672-M674 PolarHBondContact O-N 2.8Å; M674-K677 PolarHBondContact O-N 3.05Å; M674-F678 VanDerWaalsContact O-CB 3.29Å; M674-F678 WeakPolarHBondContact O-CB 3.3Å; M674-F678 PolarHBondContact O-N 3.14Å
675	A	97.4	Very high	95.1	Very high	2 Å²	2	41 Å²	41	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-41	171.9	0	0	0	0	0	111.8	V652 A655 R671 I672 F678 V679 V695	V652-A675 HydrophobicContact CG1-CB 4.24Å; A655-A675 HydrophobicContact CB-CB 3.93Å; R671-A675 WeakPolarHBondContact O-CB 3.22Å; R671-A675 PolarHBondContact O-N 3.46Å; I672-A675 CarbonylContact O-C 3.55Å; I672-A675 WeakPolarHBondContact O-CA 3.47Å; I672-A675 WeakPolarHBondContact O-CB 3.38Å; I672-A675 PolarHBondContact O-N 3.24Å; I672-A675 VanDerWaalsContact O-N 3.1Å; A675-F678 PolarHBondContact O-N 3.12Å; A675-V679 VanDerWaalsContact O-CB 3.31Å; A675-V679 WeakPolarHBondContact O-CB 3.46Å; A675-V679 VanDerWaalsContact O-CG2 3.29Å; A675-V679 WeakPolarHBondContact O-CG2 3.35Å; A675-V679 PolarHBondContact O-N 3.43Å; A675-V695 HydrophobicContact CB-CG1 4.34Å; A675-V695 HydrophobicContact CB-CG2 3.84Å
676	E	96.3	Very high	94.9	Very high	82 Å²	82	36.6 Å²	36.6	38%	0.383	19%	0.189	S	C	.	.	H	α-helix	trans	-64.2	-46.2	177.7	-73	177.9	140.7	0	0	110.8	I672 Q673 F678 V679 K680 V695	I672-E676 WeakPolarHBondContact O-CG 3.37Å; I672-E676 PolarHBondContact O-N 2.96Å; Q673-E676 PolarHBondContact O-N 3.23Å; E676-F678 PolarHBondContact O-N 2.71Å; E676-V679 PolarHBondContact O-N 2.68Å; E676-K680 WeakPolarHBondContact O-CB 3.1Å; E676-K680 PolarHBondContact O-N 2.74Å; E676-V695 HydrophobicContact CB-CG2 4.43Å; E676-V695 HydrophobicContact CG-CB 3.88Å; E676-V695 HydrophobicContact CG-CG1 4.08Å; E676-V695 HydrophobicContact CG-CG2 3.87Å
677	K	96.2	Very high	94.8	Very high	15 Å²	15	36.2 Å²	36.2	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-47.3	173.1	-179.5	173.8	-166.1	163	0	111.8	D256 G259 E260 L261 W284 Q673 M674 K680 A681	D256-K677 IonicContact OD1-NZ 2.67Å; D256-K677 PolarHBondContact OD1-NZ 2.94Å; G259-K677 WeakPolarHBondContact O-CD 3.2Å; G259-K677 WeakPolarHBondContact O-CG 3.32Å; E260-K677 WeakPolarHBondContact O-CE 3.38Å; E260-K677 PolarHBondContact O-NZ 2.67Å; L261-K677 HydrophobicContact CD2-CD 4.32Å; L261-K677 HydrophobicContact CD2-CG 3.63Å; L261-K677 HydrophobicContact CG-CG 4.15Å; W284-K677 HydrophobicContact CZ3-CB 4.21Å; W284-K677 HydrophobicContact CZ3-CD 4.19Å; W284-K677 HydrophobicContact CZ3-CG 4.11Å; Q673-K677 PolarHBondContact O-N 3.1Å; M674-K677 PolarHBondContact O-N 3.05Å; K677-K680 PolarHBondContact O-N 2.96Å; K677-A681 PolarHBondContact O-N 3.43Å; K677-A681 VanDerWaalsContact O-N 3.08Å
678	F	97.7	Very high	94.5	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-46.1	178.6	179.6	-94.4	0	0	0	112.3	W284 L623 P624 T627 L658 N659 M674 A675 E676 K680 A681 V682	W284-F678 HydrophobicContact CB-CD2 3.71Å; W284-F678 HydrophobicContact CB-CE2 4.02Å; W284-F678 HydrophobicContact CD2-CD2 4.02Å; W284-F678 HydrophobicContact CE3-CB 3.74Å; W284-F678 AromaticContact CE3-CD2 3.89Å; W284-F678 HydrophobicContact CE3-CD2 3.89Å; W284-F678 HydrophobicContact CE3-CG 4.34Å; W284-F678 AromaticContact CG-CD2 3.99Å; W284-F678 HydrophobicContact CG-CD2 3.99Å; W284-F678 HydrophobicContact CG-CE2 4.49Å; W284-F678 HydrophobicContact CZ3-CB 3.97Å; L623-F678 HydrophobicContact CD2-CE1 4.06Å; P624-F678 HydrophobicContact CG-CE2 4.19Å; P624-F678 HydrophobicContact CG-CZ 4.13Å; T627-F678 HydrophobicContact CG2-CE1 3.8Å; T627-F678 HydrophobicContact CG2-CE2 4.47Å; T627-F678 HydrophobicContact CG2-CZ 3.57Å; T627-F678 WeakPolarHBondContact OG1-CZ 3.26Å; L658-F678 HydrophobicContact CB-CD2 4.01Å; L658-F678 HydrophobicContact CB-CE2 4.37Å; L658-F678 HydrophobicContact CD1-CB 4.15Å; L658-F678 HydrophobicContact CD2-CB 4.11Å; L658-F678 HydrophobicContact CD2-CD1 3.94Å; L658-F678 HydrophobicContact CD2-CD2 3.97Å; L658-F678 HydrophobicContact CD2-CE1 4.33Å; L658-F678 HydrophobicContact CD2-CE2 4.38Å; L658-F678 HydrophobicContact CD2-CG 3.74Å; L658-F678 HydrophobicContact CG-CD2 4.44Å; N659-F678 HydrophobicContact CB-CE2 4.37Å; M674-F678 VanDerWaalsContact O-CB 3.29Å; M674-F678 WeakPolarHBondContact O-CB 3.3Å; M674-F678 PolarHBondContact O-N 3.14Å; A675-F678 PolarHBondContact O-N 3.12Å; E676-F678 PolarHBondContact O-N 2.71Å; F678-K680 VanDerWaalsContact C-N 3.32Å; F678-K680 PolarHBondContact O-N 2.95Å; F678-A681 WeakPolarHBondContact O-CB 3.43Å; F678-A681 PolarHBondContact O-N 3.47Å; F678-V682 HydrophobicContact CD1-CG1 4.49Å; F678-V682 HydrophobicContact CE1-CG1 4.05Å; F678-V682 HydrophobicContact CE1-CG2 4.45Å; F678-V682 HydrophobicContact CE2-CG1 4.35Å; F678-V682 HydrophobicContact CZ-CG1 3.97Å; F678-V682 PolarHBondContact O-N 3.05Å
679	V	96.8	Very high	94.3	Very high	17 Å²	17	44.8 Å²	44.8	10%	0.103	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-40.1	176.3	165.3	0	0	0	0	111.1	V652 A675 E676 A681 V682 A683 I693 V695	V652-V679 HydrophobicContact CG2-CG2 4.31Å; A675-V679 VanDerWaalsContact O-CB 3.31Å; A675-V679 WeakPolarHBondContact O-CB 3.46Å; A675-V679 VanDerWaalsContact O-CG2 3.29Å; A675-V679 WeakPolarHBondContact O-CG2 3.35Å; A675-V679 PolarHBondContact O-N 3.43Å; E676-V679 PolarHBondContact O-N 2.68Å; V679-A681 PolarHBondContact O-N 3.3Å; V679-V682 PolarHBondContact O-N 2.85Å; V679-A683 VanDerWaalsContact O-CB 3.31Å; V679-A683 WeakPolarHBondContact O-CB 3.48Å; V679-A683 PolarHBondContact O-N 3.38Å; V679-I693 HydrophobicContact CG1-CG2 4.39Å; V679-I693 WeakPolarHBondContact CG1-O 3.46Å; V679-I693 HydrophobicContact CG2-CD1 4.25Å; V679-I693 HydrophobicContact CG2-CG1 4.04Å; V679-V695 HydrophobicContact CB-CG2 4.15Å; V679-V695 HydrophobicContact CG2-CG2 3.78Å
680	K	95.4	Very high	94.3	Very high	82 Å²	82	43.3 Å²	43.3	36%	0.357	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-29.5	173.7	-160.5	-178.7	-164.4	-162.8	0	112.4	L261 Y263 D345 E676 K677 F678	L261-K680 HydrophobicContact CD1-CB 3.88Å; L261-K680 HydrophobicContact CD1-CD 4.27Å; L261-K680 HydrophobicContact CD1-CG 4Å; Y263-K680 VanDerWaalsContact OH-CD 3.27Å; Y263-K680 WeakPolarHBondContact OH-CD 3.27Å; Y263-K680 WeakPolarHBondContact OH-CE 3.41Å; Y263-K680 PolarHBondContact OH-NZ 2.93Å; D345-K680 IonicContact OD1-NZ 3.69Å; D345-K680 PolarHBondContact OD1-NZ 2.91Å; D345-K680 IonicContact OD2-NZ 3.05Å; D345-K680 PolarHBondContact OD2-NZ 3.13Å; E676-K680 WeakPolarHBondContact O-CB 3.1Å; E676-K680 PolarHBondContact O-N 2.74Å; K677-K680 PolarHBondContact O-N 2.96Å; F678-K680 VanDerWaalsContact C-N 3.32Å; F678-K680 PolarHBondContact O-N 2.95Å
681	A	96.6	Very high	94.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-79.2	-37.2	179.2	0	0	0	0	0	113.6	L261 K287 L311 K677 F678 V679	L261-A681 HydrophobicContact CD1-CB 3.87Å; L261-A681 HydrophobicContact CD2-CB 3.81Å; K287-A681 VanDerWaalsContact CD-O 3.27Å; K287-A681 WeakPolarHBondContact CD-O 3.35Å; L311-A681 HydrophobicContact CD2-CB 3.86Å; K677-A681 PolarHBondContact O-N 3.43Å; K677-A681 VanDerWaalsContact O-N 3.08Å; F678-A681 WeakPolarHBondContact O-CB 3.43Å; F678-A681 PolarHBondContact O-N 3.47Å; V679-A681 PolarHBondContact O-N 3.3Å
682	V	96.8	Very high	94.2	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-87.8	-13.5	178.2	-57.3	0	0	0	0	113.9	L311 L623 P624 F678 V679 K684 I693	L311-V682 HydrophobicContact CD2-CG1 3.72Å; L623-V682 HydrophobicContact CD2-CB 4.28Å; L623-V682 HydrophobicContact CD2-CG1 4.28Å; L623-V682 HydrophobicContact CD2-CG2 3.89Å; P624-V682 VanDerWaalsContact CD-CG1 3.43Å; P624-V682 HydrophobicContact CG-CG1 3.81Å; F678-V682 HydrophobicContact CD1-CG1 4.49Å; F678-V682 HydrophobicContact CE1-CG1 4.05Å; F678-V682 HydrophobicContact CE1-CG2 4.45Å; F678-V682 HydrophobicContact CE2-CG1 4.35Å; F678-V682 HydrophobicContact CZ-CG1 3.97Å; F678-V682 PolarHBondContact O-N 3.05Å; V679-V682 PolarHBondContact O-N 2.85Å; V682-K684 PolarHBondContact O-N 2.71Å; V682-I693 HydrophobicContact CG2-CG2 3.94Å
683	A	94.1	Very high	94.2	Very high	33 Å²	33	42.8 Å²	42.8	27%	0.273	23%	0.227	S	C	.	.			trans	-59.5	137.1	178	0	0	0	0	0	110.9	K287 V679	K287-A683 PolarHBondContact NZ-O 3.18Å; V679-A683 VanDerWaalsContact O-CB 3.31Å; V679-A683 WeakPolarHBondContact O-CB 3.48Å; V679-A683 PolarHBondContact O-N 3.38Å
684	K	93.7	Very high	94.1	Very high	27 Å²	27	40.6 Å²	40.6	12%	0.117	21%	0.214	C	C	.	.			trans	-123.9	76.8	175.4	-65	-177.5	-180	-175.2	0	111.5	E310 F312 E313 E622 V682 S686 R687 M690	E310-K684 VanDerWaalsContact O-CE 3.25Å; E310-K684 WeakPolarHBondContact O-CE 3.29Å; F312-K684 VanDerWaalsContact O-CE 3.29Å; F312-K684 WeakPolarHBondContact O-CE 3.37Å; E313-K684 VanDerWaalsContact CD-CA 3.48Å; E313-K684 HydrophobicContact CG-CB 4.4Å; E313-K684 HydrophobicContact CG-CG 4.36Å; E313-K684 VanDerWaalsContact OE1-CA 3.27Å; E313-K684 WeakPolarHBondContact OE1-CA 3.23Å; E313-K684 WeakPolarHBondContact OE2-CA 3.11Å; E622-K684 IonicContact OE2-NZ 3.83Å; E622-K684 PolarHBondContact OE2-NZ 2.96Å; V682-K684 PolarHBondContact O-N 2.71Å; K684-S686 PolarHBondContact O-N 3.27Å; K684-R687 HydrophobicContact CB-CB 4.05Å; K684-R687 HydrophobicContact CB-CG 4.04Å; K684-R687 WeakPolarHBondContact O-CB 3.35Å; K684-R687 PolarHBondContact O-N 3.33Å; K684-M690 HydrophobicContact CB-SD 4.24Å; K684-M690 HydrophobicContact CD-CE 4.34Å; K684-M690 HydrophobicContact CD-SD 3.97Å
685	P	88.8	Confident	94.1	Very high	77 Å²	77	39.6 Å²	39.6	50%	0.5	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.6	-170.3	-27.6	42.3	0	0	0	115.1	E313 N343 R687	E313-P685 WeakPolarHBondContact OE1-CD 3.37Å; E313-P685 VanDerWaalsContact OE1-N 3.13Å; E313-P685 WeakPolarHBondContact OE2-CD 3.2Å; N343-P685 VanDerWaalsContact OD1-CG 3.26Å; N343-P685 WeakPolarHBondContact OD1-CG 3.24Å; P685-R687 PolarHBondContact O-N 3.36Å
686	S	89.6	Confident	94	Very high	25 Å²	25	40 Å²	40	18%	0.175	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.4	170.4	65.1	0	0	0	0	113	E313 K684 T688	E313-S686 VanDerWaalsContact OE1-CB 3.31Å; E313-S686 WeakPolarHBondContact OE1-CB 3.2Å; E313-S686 PolarHBondContact OE1-N 3.41Å; E313-S686 PolarHBondContact OE1-OG 3.5Å; K684-S686 PolarHBondContact O-N 3.27Å; S686-T688 PolarHBondContact O-N 3.08Å
687	R	91.3	Very high	93.9	Very high	82 Å²	82	37.7 Å²	37.7	31%	0.309	20%	0.201	S	C	.	.			trans	-90.7	74.1	-175	-66.8	-62.9	-57.9	-84.3	-7.5	112.2	K684 P685 D689 M690	K684-R687 HydrophobicContact CB-CB 4.05Å; K684-R687 HydrophobicContact CB-CG 4.04Å; K684-R687 WeakPolarHBondContact O-CB 3.35Å; K684-R687 PolarHBondContact O-N 3.33Å; P685-R687 PolarHBondContact O-N 3.36Å; R687-D689 IonicContact CZ-OD1 2.62Å; R687-D689 VanDerWaalsContact CZ-OD1 3.29Å; R687-D689 IonicContact CZ-OD2 2.89Å; R687-D689 IonicContact NE-OD1 3.99Å; R687-D689 PolarHBondContact NE-OD1 2.9Å; R687-D689 VanDerWaalsContact NH2-CG 3.34Å; R687-D689 IonicContact NH2-OD1 3.69Å; R687-D689 PolarHBondContact NH2-OD1 2.91Å; R687-D689 IonicContact NH2-OD2 2.89Å; R687-D689 PolarHBondContact NH2-OD2 3.5Å; R687-D689 PolarHBondContact O-N 3.38Å; R687-D689 VanDerWaalsContact O-N 3.08Å; R687-M690 HydrophobicContact CB-CB 4.28Å; R687-M690 HydrophobicContact CB-CG 3.83Å; R687-M690 HydrophobicContact CB-SD 3.63Å; R687-M690 HydrophobicContact CG-SD 3.97Å; R687-M690 PolarHBondContact O-N 3.49Å
688	T	88.1	Confident	93.9	Very high	132 Å²	132	39.1 Å²	39.1	81%	0.81	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.6	177.3	62.4	0	0	0	0	114.6	S686	S686-T688 PolarHBondContact O-N 3.08Å
689	D	90.8	Very high	93.8	Very high	63 Å²	63	40.2 Å²	40.2	34%	0.337	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.7	175.2	77	-59	0	0	0	114	K620 R687	K620-D689 WeakPolarHBondContact CD-O 3.11Å; K620-D689 IonicContact NZ-OD2 2.66Å; K620-D689 PolarHBondContact NZ-OD2 2.77Å; R687-D689 IonicContact CZ-OD1 2.62Å; R687-D689 VanDerWaalsContact CZ-OD1 3.29Å; R687-D689 IonicContact CZ-OD2 2.89Å; R687-D689 IonicContact NE-OD1 3.99Å; R687-D689 PolarHBondContact NE-OD1 2.9Å; R687-D689 VanDerWaalsContact NH2-CG 3.34Å; R687-D689 IonicContact NH2-OD1 3.69Å; R687-D689 PolarHBondContact NH2-OD1 2.91Å; R687-D689 IonicContact NH2-OD2 2.89Å; R687-D689 PolarHBondContact NH2-OD2 3.5Å; R687-D689 PolarHBondContact O-N 3.38Å; R687-D689 VanDerWaalsContact O-N 3.08Å
690	M	93.3	Very high	93.7	Very high	25 Å²	25	44.7 Å²	44.7	12%	0.123	23%	0.23	C	C	.	.	S	Bend	trans	-85.2	148.7	-179.6	-70.3	-178.3	72.9	0	0	112.7	K620 E622 K684 R687	K620-M690 CarbonylContact O-C 3.57Å; K620-M690 WeakPolarHBondContact O-CA 3.23Å; K620-M690 WeakPolarHBondContact O-CB 3.06Å; E622-M690 HydrophobicContact CB-CE 4Å; E622-M690 HydrophobicContact CG-CE 3.91Å; K684-M690 HydrophobicContact CB-SD 4.24Å; K684-M690 HydrophobicContact CD-CE 4.34Å; K684-M690 HydrophobicContact CD-SD 3.97Å; R687-M690 HydrophobicContact CB-CB 4.28Å; R687-M690 HydrophobicContact CB-CG 3.83Å; R687-M690 HydrophobicContact CB-SD 3.63Å; R687-M690 HydrophobicContact CG-SD 3.97Å; R687-M690 PolarHBondContact O-N 3.49Å
691	N	94.6	Very high	93.7	Very high	27 Å²	27	40.8 Å²	40.8	14%	0.144	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-75.4	129.8	173.4	-73.1	97	0	0	0	110.2	F619 K620 S648	F619-N691 HydrophobicContact CD1-CB 3.66Å; F619-N691 HydrophobicContact CD2-CB 4.45Å; F619-N691 HydrophobicContact CE1-CB 3.26Å; F619-N691 HydrophobicContact CE2-CB 4.14Å; F619-N691 HydrophobicContact CG-CB 4.23Å; F619-N691 HydrophobicContact CZ-CB 3.53Å; K620-N691 PolarHBondContact N-OD1 3.03Å; K620-N691 PolarHBondContact O-N 2.79Å; S648-N691 PolarHBondContact O-ND2 2.98Å
692	P	93.4	Very high	93.6	Very high	25 Å²	25	42.1 Å²	42.1	16%	0.162	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-66.2	146.1	-178.6	-18.5	29.7	0	0	0	112.9	I647 A649 V650 R694	I647-P692 HydrophobicContact CD1-CG 4Å; A649-P692 CarbonylContact C-O 3.52Å; A649-P692 VanDerWaalsContact CA-O 3.29Å; A649-P692 WeakPolarHBondContact CA-O 3.45Å; A649-P692 HydrophobicContact CB-CB 4.04Å; A649-P692 HydrophobicContact CB-CG 4.27Å; V650-P692 PolarHBondContact N-O 2.94Å; P692-R694 HydrophobicContact CB-CG 4.5Å
693	I	95.5	Very high	93.5	Very high	17 Å²	17	44.1 Å²	44.1	9%	0.087	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.7	157.2	-174.3	170.2	0	0	0	109	L621 L623 L629 V650 V652 V679 V682	L621-I693 HydrophobicContact CD1-CB 4.11Å; L621-I693 HydrophobicContact CD1-CG2 4.02Å; L623-I693 HydrophobicContact CD1-CD1 4.27Å; L623-I693 HydrophobicContact CD2-CD1 4Å; L629-I693 HydrophobicContact CD1-CD1 4.06Å; V650-I693 HydrophobicContact CB-CB 4.3Å; V650-I693 HydrophobicContact CB-CG1 4.04Å; V650-I693 HydrophobicContact CG1-CD1 4.1Å; V650-I693 HydrophobicContact CG1-CG1 3.99Å; V650-I693 CarbonylContact O-C 3.56Å; V650-I693 WeakPolarHBondContact O-CA 3.47Å; V652-I693 HydrophobicContact CG2-CD1 3.88Å; V652-I693 HydrophobicContact CG2-CG1 3.88Å; V679-I693 HydrophobicContact CG1-CG2 4.39Å; V679-I693 WeakPolarHBondContact CG1-O 3.46Å; V679-I693 HydrophobicContact CG2-CD1 4.25Å; V679-I693 HydrophobicContact CG2-CG1 4.04Å; V682-I693 HydrophobicContact CG2-CG2 3.94Å
694	R	94.2	Very high	93.4	Very high	65 Å²	65	42.6 Å²	42.6	25%	0.245	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150	-174.9	-66.5	174.6	173.3	-153.6	-16.4	109.5	E636 V650 H651 V652 P692 D731	E636-R694 WeakPolarHBondContact OE1-CD 3.25Å; E636-R694 IonicContact OE1-CZ 3.61Å; E636-R694 IonicContact OE1-NE 2.72Å; E636-R694 PolarHBondContact OE1-NE 3.41Å; E636-R694 IonicContact OE1-NH1 3.23Å; E636-R694 PolarHBondContact OE1-NH1 3.44Å; E636-R694 IonicContact OE2-CZ 3.09Å; E636-R694 IonicContact OE2-NE 2.67Å; E636-R694 IonicContact OE2-NH1 2.66Å; E636-R694 PolarHBondContact OE2-NH1 2.9Å; V650-R694 PolarHBondContact O-N 3Å; H651-R694 CarbonylContact C-O 3.54Å; H651-R694 WeakPolarHBondContact CA-O 3.46Å; V652-R694 PolarHBondContact N-O 3.38Å; P692-R694 HydrophobicContact CB-CG 4.5Å; R694-D731 IonicContact CZ-OD1 4Å; R694-D731 IonicContact CZ-OD2 3.73Å; R694-D731 IonicContact NH1-OD1 2.71Å; R694-D731 PolarHBondContact NH1-OD1 3.18Å; R694-D731 VanDerWaalsContact NH1-OD1 3.08Å; R694-D731 IonicContact NH1-OD2 2.75Å; R694-D731 PolarHBondContact NH1-OD2 3.16Å; R694-D731 VanDerWaalsContact NH1-OD2 3.08Å; R694-D731 IonicContact NH2-OD1 3.94Å; R694-D731 IonicContact NH2-OD2 2.85Å; R694-D731 PolarHBondContact NH2-OD2 2.86Å
695	V	96.4	Very high	93.4	Very high	28 Å²	28	45.8 Å²	45.8	17%	0.17	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.6	168.1	-172.1	0	0	0	0	109	V652 I672 A675 E676 V679	V652-V695 HydrophobicContact CB-CG2 4.34Å; I672-V695 HydrophobicContact CD1-CG1 4.41Å; I672-V695 HydrophobicContact CG2-CG1 4.05Å; A675-V695 HydrophobicContact CB-CG1 4.34Å; A675-V695 HydrophobicContact CB-CG2 3.84Å; E676-V695 HydrophobicContact CB-CG2 4.43Å; E676-V695 HydrophobicContact CG-CB 3.88Å; E676-V695 HydrophobicContact CG-CG1 4.08Å; E676-V695 HydrophobicContact CG-CG2 3.87Å; V679-V695 HydrophobicContact CB-CG2 4.15Å; V679-V695 HydrophobicContact CG2-CG2 3.78Å
696	K	94.6	Very high	93.7	Very high	11 Å²	11	47 Å²	47	5%	0.048	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-70.3	143.3	175.1	-70.3	-127.7	-173.4	-170.9	0	111	I585 V586 E632 H651 V652 M653 V698	I585-K696 HydrophobicContact CG2-CB 3.58Å; I585-K696 HydrophobicContact CG2-CD 3.63Å; I585-K696 HydrophobicContact CG2-CG 4.11Å; V586-K696 WeakPolarHBondContact O-CD 3.14Å; V586-K696 PolarHBondContact O-NZ 2.68Å; E632-K696 VanDerWaalsContact OE2-CE 3.23Å; E632-K696 WeakPolarHBondContact OE2-CE 3.49Å; E632-K696 IonicContact OE2-NZ 2.82Å; E632-K696 PolarHBondContact OE2-NZ 2.94Å; H651-K696 HydrophobicContact CB-CD 4.22Å; H651-K696 VanDerWaalsContact CB-CE 3.45Å; H651-K696 HydrophobicContact CB-CG 3.8Å; H651-K696 WeakPolarHBondContact ND1-CE 3.49Å; V652-K696 PolarHBondContact O-N 3.2Å; M653-K696 HydrophobicContact SD-CB 4.29Å; M653-K696 HydrophobicContact SD-CD 3.58Å; M653-K696 VanDerWaalsContact SD-CD 3.58Å; M653-K696 HydrophobicContact SD-CG 3.7Å; K696-V698 PolarHBondContact O-N 3.5Å
697	E	93.8	Very high	94	Very high	32 Å²	32	45.9 Å²	45.9	15%	0.15	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.5	129.4	174.3	-66.7	179.3	124.6	0	0	111.1	Y699 R710 Y727 R730	E697-Y699 HydrophobicContact CB-CD2 4.43Å; E697-Y699 HydrophobicContact CB-CE2 3.7Å; E697-Y699 PolarHBondContact OE2-OH 2.66Å; E697-R710 IonicContact OE1-CZ 3.95Å; E697-R710 IonicContact OE1-NH1 2.71Å; E697-R710 PolarHBondContact OE1-NH1 3.08Å; E697-R710 IonicContact OE1-NH2 3.75Å; E697-R710 PolarHBondContact OE1-NH2 3.07Å; E697-R710 IonicContact OE2-CZ 2.81Å; E697-R710 IonicContact OE2-NH1 2.87Å; E697-R710 PolarHBondContact OE2-NH1 3.13Å; E697-R710 IonicContact OE2-NH2 3.75Å; E697-R710 PolarHBondContact OE2-NH2 2.63Å; E697-Y727 PolarHBondContact OE2-OH 3.13Å; E697-R730 WeakPolarHBondContact OE1-CG 3.23Å; E697-R730 IonicContact OE1-CZ 2.72Å; E697-R730 IonicContact OE1-NE 3.4Å; E697-R730 PolarHBondContact OE1-NE 3.19Å; E697-R730 IonicContact OE1-NH2 3.48Å
698	V	95.7	Very high	94.1	Very high	46 Å²	46	42.6 Å²	42.6	28%	0.279	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-99.9	122.7	177.3	179.7	0	0	0	0	109.4	R583 I585 F668 I672 K696	R583-V698 HydrophobicContact CB-CG1 3.7Å; R583-V698 HydrophobicContact CG-CG1 3.98Å; I585-V698 HydrophobicContact CD1-CG2 3.94Å; I585-V698 HydrophobicContact CG1-CG2 4.12Å; F668-V698 HydrophobicContact CE1-CG1 3.84Å; F668-V698 HydrophobicContact CE1-CG2 4.03Å; F668-V698 HydrophobicContact CZ-CG2 4.36Å; I672-V698 HydrophobicContact CB-CG2 4.48Å; I672-V698 HydrophobicContact CD1-CG2 4.05Å; I672-V698 HydrophobicContact CG1-CG2 3.98Å; I672-V698 HydrophobicContact CG2-CG2 3.84Å; K696-V698 PolarHBondContact O-N 3.5Å
699	Y	96.2	Very high	94.4	Very high	24 Å²	24	42 Å²	42	9%	0.094	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	151.5	174.5	-67.2	-94.2	0	0	0	110.2	R583 C584 E697 K706 I707 R710 Y727	R583-Y699 CarbonylContact C-O 3.6Å; R583-Y699 VanDerWaalsContact CA-O 3.23Å; R583-Y699 WeakPolarHBondContact CA-O 3.33Å; R583-Y699 WeakPolarHBondContact CB-O 3.38Å; C584-Y699 PolarHBondContact N-O 3.09Å; C584-Y699 PolarHBondContact O-N 3.27Å; E697-Y699 HydrophobicContact CB-CD2 4.43Å; E697-Y699 HydrophobicContact CB-CE2 3.7Å; E697-Y699 PolarHBondContact OE2-OH 2.66Å; Y699-K706 HydrophobicContact CD1-CB 4.1Å; Y699-K706 HydrophobicContact CE1-CB 3.91Å; Y699-I707 HydrophobicContact CD1-CD1 4.47Å; Y699-I707 HydrophobicContact CD1-CG1 3.81Å; Y699-I707 HydrophobicContact CD2-CD1 3.76Å; Y699-I707 HydrophobicContact CD2-CG1 3.67Å; Y699-I707 HydrophobicContact CE1-CG1 4.06Å; Y699-I707 HydrophobicContact CE2-CD1 4.4Å; Y699-I707 HydrophobicContact CE2-CG1 3.91Å; Y699-I707 HydrophobicContact CG-CD1 3.81Å; Y699-I707 HydrophobicContact CG-CG1 3.62Å; Y699-R710 PolarHBondContact OH-NH1 3.32Å; Y699-Y727 WeakPolarHBondContact CE2-OH 3.3Å; Y699-Y727 PolarHBondContact OH-OH 3.33Å
700	R	95.7	Very high	94.5	Very high	110 Å²	110	41.5 Å²	41.5	42%	0.415	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	140.8	166.7	-53.4	-172.5	-77.1	-177.1	4.1	108.1	E702 E703 M704	R700-E702 VanDerWaalsContact C-N 3.26Å; R700-E702 VanDerWaalsContact CB-CD 3.47Å; R700-E702 WeakPolarHBondContact CB-OE1 3.39Å; R700-E702 WeakPolarHBondContact CB-OE2 3.46Å; R700-E702 WeakPolarHBondContact CD-OE1 3.3Å; R700-E702 IonicContact NE-OE1 2.65Å; R700-E702 PolarHBondContact O-N 3.39Å; R700-E703 HydrophobicContact CB-CB 4.37Å; R700-E703 HydrophobicContact CB-CG 4.21Å; R700-E703 IonicContact CZ-OE1 3.39Å; R700-E703 IonicContact CZ-OE2 3.82Å; R700-E703 VanDerWaalsContact NE-CD 3.25Å; R700-E703 IonicContact NE-OE1 2.71Å; R700-E703 IonicContact NE-OE2 2.99Å; R700-E703 PolarHBondContact NE-OE2 3.46Å; R700-E703 IonicContact NH2-OE1 3.63Å; R700-E703 PolarHBondContact NH2-OE1 3.05Å; R700-E703 IonicContact NH2-OE2 3.43Å; R700-E703 PolarHBondContact NH2-OE2 3.43Å; R700-E703 CarbonylContact O-C 3.57Å; R700-E703 WeakPolarHBondContact O-CA 3.47Å; R700-E703 PolarHBondContact O-N 2.94Å; R700-M704 PolarHBondContact O-N 2.9Å
701	L	95.3	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.7	-39.3	-173.9	-178.8	59.8	0	0	0	111.6	L576 I579 Y582 E703 M704 I742 F818 I822	L576-L701 HydrophobicContact CD1-CD2 4.49Å; I579-L701 HydrophobicContact CD1-CD2 4.29Å; I579-L701 HydrophobicContact CG2-CB 4.29Å; I579-L701 HydrophobicContact CG2-CD2 4.34Å; I579-L701 HydrophobicContact CG2-CG 4.22Å; Y582-L701 HydrophobicContact CD2-CD2 4.29Å; Y582-L701 HydrophobicContact CG-CD2 4.19Å; Y582-L701 PolarHBondContact O-N 3.03Å; L701-E703 PolarHBondContact O-N 2.64Å; L701-E703 VanDerWaalsContact O-N 3.14Å; L701-M704 HydrophobicContact CD1-SD 3.79Å; L701-M704 WeakPolarHBondContact O-CB 3.25Å; L701-M704 WeakPolarHBondContact O-CG 3.13Å; L701-M704 PolarHBondContact O-N 3.04Å; L701-I742 HydrophobicContact CD1-CD1 4.05Å; L701-I742 HydrophobicContact CD1-CG2 4.32Å; L701-I742 HydrophobicContact CD2-CG2 4.2Å; L701-F818 HydrophobicContact CD1-CZ 4.11Å; L701-I822 HydrophobicContact CD1-CD1 3.97Å; L701-I822 HydrophobicContact CG-CD1 4.15Å
702	E	93.9	Very high	94.5	Very high	28 Å²	28	43.1 Å²	43.1	13%	0.131	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-65.2	-11.2	174.4	72.2	-78.3	-170.1	0	0	114.7	I579 F580 R700 K761	I579-E702 HydrophobicContact CG2-CB 3.8Å; F580-E702 HydrophobicContact CD1-CG 4.25Å; F580-E702 HydrophobicContact CE1-CB 4.27Å; F580-E702 HydrophobicContact CE1-CG 4.05Å; R700-E702 VanDerWaalsContact C-N 3.26Å; R700-E702 VanDerWaalsContact CB-CD 3.47Å; R700-E702 WeakPolarHBondContact CB-OE1 3.39Å; R700-E702 WeakPolarHBondContact CB-OE2 3.46Å; R700-E702 WeakPolarHBondContact CD-OE1 3.3Å; R700-E702 IonicContact NE-OE1 2.65Å; R700-E702 PolarHBondContact O-N 3.39Å; E702-K761 IonicContact OE1-NZ 3.33Å; E702-K761 PolarHBondContact OE1-NZ 3.44Å
703	E	94	Very high	94.5	Very high	49 Å²	49	45.1 Å²	45.1	23%	0.229	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-113.6	14.5	178.7	-58.7	-167.5	127.7	0	0	112.9	R700 L701 E705 K706	R700-E703 HydrophobicContact CB-CB 4.37Å; R700-E703 HydrophobicContact CB-CG 4.21Å; R700-E703 IonicContact CZ-OE1 3.39Å; R700-E703 IonicContact CZ-OE2 3.82Å; R700-E703 VanDerWaalsContact NE-CD 3.25Å; R700-E703 IonicContact NE-OE1 2.71Å; R700-E703 IonicContact NE-OE2 2.99Å; R700-E703 PolarHBondContact NE-OE2 3.46Å; R700-E703 IonicContact NH2-OE1 3.63Å; R700-E703 PolarHBondContact NH2-OE1 3.05Å; R700-E703 IonicContact NH2-OE2 3.43Å; R700-E703 PolarHBondContact NH2-OE2 3.43Å; R700-E703 CarbonylContact O-C 3.57Å; R700-E703 WeakPolarHBondContact O-CA 3.47Å; R700-E703 PolarHBondContact O-N 2.94Å; L701-E703 PolarHBondContact O-N 2.64Å; L701-E703 VanDerWaalsContact O-N 3.14Å; E703-E705 PolarHBondContact O-N 3.22Å; E703-K706 HydrophobicContact CB-CD 4.1Å; E703-K706 WeakPolarHBondContact O-CB 3.39Å; E703-K706 WeakPolarHBondContact O-CG 3.3Å; E703-K706 PolarHBondContact O-N 3.32Å; E703-K706 IonicContact OE1-NZ 2.73Å; E703-K706 PolarHBondContact OE1-NZ 3.34Å; E703-K706 IonicContact OE2-NZ 3.22Å; E703-K706 PolarHBondContact OE2-NZ 2.94Å
704	M	93.6	Very high	94.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.7	-175.6	70.9	174.8	-86.4	0	0	114	R700 L701 K706 I707 F708 L740 W793 F818 L819 I822	R700-M704 PolarHBondContact O-N 2.9Å; L701-M704 HydrophobicContact CD1-SD 3.79Å; L701-M704 WeakPolarHBondContact O-CB 3.25Å; L701-M704 WeakPolarHBondContact O-CG 3.13Å; L701-M704 PolarHBondContact O-N 3.04Å; M704-K706 PolarHBondContact O-N 2.6Å; M704-I707 HydrophobicContact CB-CD1 4.28Å; M704-I707 VanDerWaalsContact O-CB 3.27Å; M704-I707 WeakPolarHBondContact O-CB 3.45Å; M704-I707 PolarHBondContact O-N 3.02Å; M704-F708 HydrophobicContact CE-CE2 3.73Å; M704-F708 HydrophobicContact CE-CZ 3.45Å; M704-F708 VanDerWaalsContact CE-CZ 3.45Å; M704-L740 HydrophobicContact CE-CD2 3.71Å; M704-L740 HydrophobicContact SD-CD2 4.28Å; M704-W793 HydrophobicContact CE-CE3 4.25Å; M704-W793 HydrophobicContact CE-CH2 4.43Å; M704-W793 HydrophobicContact CE-CZ3 3.65Å; M704-F818 HydrophobicContact CE-CD1 3.69Å; M704-F818 HydrophobicContact CE-CE1 3.77Å; M704-F818 HydrophobicContact CE-CG 4.46Å; M704-F818 HydrophobicContact SD-CD1 4.1Å; M704-F818 HydrophobicContact SD-CE1 3.83Å; M704-F818 HydrophobicContact SD-CZ 4.09Å; M704-L819 HydrophobicContact CG-CD2 3.95Å; M704-I822 HydrophobicContact CG-CD1 3.82Å; M704-I822 HydrophobicContact SD-CD1 3.2Å; M704-I822 WeakPolarHBondContact SD-CD1 3.4Å
705	E	93.8	Very high	94	Very high	94 Å²	94	46.1 Å²	46.1	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-54.3	-35.2	169.1	-66.5	-165.3	153.1	0	0	112.8	E703 I707 F708 L819 H823	E703-E705 PolarHBondContact O-N 3.22Å; E705-I707 PolarHBondContact O-N 2.99Å; E705-I707 VanDerWaalsContact O-N 3.12Å; E705-F708 PolarHBondContact O-N 3.44Å; E705-F708 VanDerWaalsContact O-N 3.11Å; E705-L819 HydrophobicContact CG-CD1 4.02Å; E705-L819 HydrophobicContact CG-CD2 3.5Å; E705-L819 VanDerWaalsContact CG-CD2 3.5Å; E705-L819 HydrophobicContact CG-CG 4.4Å; E705-H823 IonicContact OE1-CE1 3.66Å; E705-H823 PolarHBondContact OE1-CE1 3.4Å; E705-H823 IonicContact OE1-NE2 2.56Å
706	K	94.1	Very high	93.5	Very high	102 Å²	102	45.2 Å²	45.2	44%	0.443	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-23.5	176.8	-62.1	178.7	-173.4	174.6	0	113.4	Y699 E703 M704	Y699-K706 HydrophobicContact CD1-CB 4.1Å; Y699-K706 HydrophobicContact CE1-CB 3.91Å; E703-K706 HydrophobicContact CB-CD 4.1Å; E703-K706 WeakPolarHBondContact O-CB 3.39Å; E703-K706 WeakPolarHBondContact O-CG 3.3Å; E703-K706 PolarHBondContact O-N 3.32Å; E703-K706 IonicContact OE1-NZ 2.73Å; E703-K706 PolarHBondContact OE1-NZ 3.34Å; E703-K706 IonicContact OE2-NZ 3.22Å; E703-K706 PolarHBondContact OE2-NZ 2.94Å; M704-K706 PolarHBondContact O-N 2.6Å
707	I	95	Very high	92.9	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-71.6	-44.7	177.4	-60.3	-179.7	0	0	0	110.3	V586 Y699 M704 E705 V709 R710 Y727 L740 W795	V586-I707 HydrophobicContact CG2-CD1 4.24Å; V586-I707 HydrophobicContact CG2-CG2 3.45Å; V586-I707 VanDerWaalsContact CG2-CG2 3.45Å; Y699-I707 HydrophobicContact CD1-CD1 4.47Å; Y699-I707 HydrophobicContact CD1-CG1 3.81Å; Y699-I707 HydrophobicContact CD2-CD1 3.76Å; Y699-I707 HydrophobicContact CD2-CG1 3.67Å; Y699-I707 HydrophobicContact CE1-CG1 4.06Å; Y699-I707 HydrophobicContact CE2-CD1 4.4Å; Y699-I707 HydrophobicContact CE2-CG1 3.91Å; Y699-I707 HydrophobicContact CG-CD1 3.81Å; Y699-I707 HydrophobicContact CG-CG1 3.62Å; M704-I707 HydrophobicContact CB-CD1 4.28Å; M704-I707 VanDerWaalsContact O-CB 3.27Å; M704-I707 WeakPolarHBondContact O-CB 3.45Å; M704-I707 PolarHBondContact O-N 3.02Å; E705-I707 PolarHBondContact O-N 2.99Å; E705-I707 VanDerWaalsContact O-N 3.12Å; I707-V709 VanDerWaalsContact C-N 3.27Å; I707-V709 PolarHBondContact O-N 3.28Å; I707-R710 PolarHBondContact O-N 3.04Å; I707-R710 VanDerWaalsContact O-N 3.07Å; I707-Y727 HydrophobicContact CG2-CD2 4.36Å; I707-Y727 HydrophobicContact CG2-CE2 3.98Å; I707-L740 HydrophobicContact CD1-CD1 3.47Å; I707-L740 VanDerWaalsContact CD1-CD1 3.47Å; I707-L740 HydrophobicContact CD1-CD2 4.39Å; I707-W795 HydrophobicContact CG2-CH2 4.16Å
708	F	94.9	Very high	92	Very high	13 Å²	13	53.8 Å²	53.8	6%	0.057	27%	0.265	C	S	.	.	H	α-helix	trans	-69.1	-26	-175.2	-54.7	-64.4	0	0	0	112.9	M704 E705 R710 L711 W793 W795 V801 K815 L819	M704-F708 HydrophobicContact CE-CE2 3.73Å; M704-F708 HydrophobicContact CE-CZ 3.45Å; M704-F708 VanDerWaalsContact CE-CZ 3.45Å; E705-F708 PolarHBondContact O-N 3.44Å; E705-F708 VanDerWaalsContact O-N 3.11Å; F708-R710 PolarHBondContact O-N 3.03Å; F708-L711 HydrophobicContact CD1-CD1 3.77Å; F708-L711 PolarHBondContact O-N 3.48Å; F708-W793 AromaticContact CE1-CH2 3.96Å; F708-W793 HydrophobicContact CE1-CH2 3.96Å; F708-W793 AromaticContact CE1-CZ3 3.93Å; F708-W793 HydrophobicContact CE1-CZ3 3.93Å; F708-W793 AromaticContact CZ-CH2 3.79Å; F708-W793 HydrophobicContact CZ-CH2 3.79Å; F708-W793 AromaticContact CZ-CZ3 3.7Å; F708-W793 HydrophobicContact CZ-CZ3 3.7Å; F708-W795 HydrophobicContact CE1-CZ2 4.12Å; F708-V801 HydrophobicContact CD1-CB 4.23Å; F708-V801 HydrophobicContact CE1-CB 3.99Å; F708-V801 HydrophobicContact CE1-CG1 4.21Å; F708-K815 HydrophobicContact CB-CD 4.38Å; F708-K815 HydrophobicContact CD1-CD 3.83Å; F708-K815 HydrophobicContact CD1-CG 4.45Å; F708-K815 HydrophobicContact CD2-CD 3.83Å; F708-K815 HydrophobicContact CD2-CG 4.13Å; F708-K815 HydrophobicContact CE1-CB 4.29Å; F708-K815 HydrophobicContact CE1-CD 3.98Å; F708-K815 HydrophobicContact CE1-CG 4.12Å; F708-K815 HydrophobicContact CE2-CD 3.99Å; F708-K815 HydrophobicContact CE2-CG 3.78Å; F708-K815 HydrophobicContact CG-CD 3.76Å; F708-K815 HydrophobicContact CG-CG 4.46Å; F708-K815 HydrophobicContact CZ-CB 4.12Å; F708-K815 HydrophobicContact CZ-CD 4.04Å; F708-K815 HydrophobicContact CZ-CG 3.76Å; F708-L819 HydrophobicContact CD2-CD1 4.41Å; F708-L819 HydrophobicContact CE2-CD1 4.09Å; F708-L819 HydrophobicContact CE2-CD2 4.15Å; F708-L819 HydrophobicContact CE2-CG 4.26Å
709	V	92.9	Very high	91.2	Very high	121 Å²	121	52.2 Å²	52.2	73%	0.733	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.5	173.1	-177.6	0	0	0	0	112.1	I707	I707-V709 VanDerWaalsContact C-N 3.27Å; I707-V709 PolarHBondContact O-N 3.28Å
710	R	93.6	Very high	90.3	Very high	52 Å²	52	55 Å²	55	20%	0.196	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	8.7	-178.5	-59.7	174.2	63.6	166.8	-6.3	113.1	E697 Y699 I707 F708 Y727 T728 G729	E697-R710 IonicContact OE1-CZ 3.95Å; E697-R710 IonicContact OE1-NH1 2.71Å; E697-R710 PolarHBondContact OE1-NH1 3.08Å; E697-R710 IonicContact OE1-NH2 3.75Å; E697-R710 PolarHBondContact OE1-NH2 3.07Å; E697-R710 IonicContact OE2-CZ 2.81Å; E697-R710 IonicContact OE2-NH1 2.87Å; E697-R710 PolarHBondContact OE2-NH1 3.13Å; E697-R710 IonicContact OE2-NH2 3.75Å; E697-R710 PolarHBondContact OE2-NH2 2.63Å; Y699-R710 PolarHBondContact OH-NH1 3.32Å; I707-R710 PolarHBondContact O-N 3.04Å; I707-R710 VanDerWaalsContact O-N 3.07Å; F708-R710 PolarHBondContact O-N 3.03Å; R710-Y727 HydrophobicContact CB-CD2 4.1Å; R710-Y727 HydrophobicContact CB-CE2 3.76Å; R710-T728 PolarHBondContact NE-O 3.23Å; R710-T728 VanDerWaalsContact NE-O 3.07Å; R710-T728 PolarHBondContact NH2-O 3.29Å; R710-T728 PolarHBondContact O-N 2.89Å; R710-G729 PolarHBondContact NH2-O 2.86Å
711	L	94.9	Very high	89.5	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.4	172.3	-64.8	-179	0	0	0	109.9	F708 L725 S726 Y727 P737 W795 V801 H802	F708-L711 HydrophobicContact CD1-CD1 3.77Å; F708-L711 PolarHBondContact O-N 3.48Å; L711-L725 HydrophobicContact CB-CD1 3.95Å; L711-L725 HydrophobicContact CD1-CD1 4.29Å; L711-L725 HydrophobicContact CD1-CD2 4.5Å; L711-L725 HydrophobicContact CD2-CD1 4.49Å; L711-L725 HydrophobicContact CD2-CG 4.46Å; L711-L725 HydrophobicContact CG-CD1 4.48Å; L711-S726 WeakPolarHBondContact CA-O 3.48Å; L711-Y727 HydrophobicContact CD2-CD2 3.88Å; L711-Y727 HydrophobicContact CD2-CG 4.39Å; L711-P737 HydrophobicContact CD2-CG 4.05Å; L711-W795 HydrophobicContact CD1-CH2 3.88Å; L711-W795 HydrophobicContact CD1-CZ3 3.83Å; L711-W795 HydrophobicContact CD2-CH2 4.17Å; L711-W795 HydrophobicContact CD2-CZ3 3.72Å; L711-W795 HydrophobicContact CG-CZ3 4.42Å; L711-V801 HydrophobicContact CD1-CB 4.38Å; L711-V801 HydrophobicContact CD1-CG2 4.06Å; L711-H802 PolarHBondContact O-CD2 2.98Å; L711-H802 VanDerWaalsContact O-CD2 3.27Å; L711-H802 PolarHBondContact O-NE2 3.17Å
712	E	93.4	Very high	89	Confident	81 Å²	81	56.7 Å²	56.7	38%	0.379	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.7	-176.2	-63.9	171.4	136.6	0	0	109.3	K714 S726 T728	E712-K714 HydrophobicContact CB-CG 4.17Å; E712-K714 PolarHBondContact O-N 3.23Å; E712-K714 WeakPolarHBondContact OE2-CE 3.36Å; E712-K714 IonicContact OE2-NZ 3.13Å; E712-K714 PolarHBondContact OE2-NZ 2.89Å; E712-S726 PolarHBondContact N-O 3.42Å; E712-S726 WeakPolarHBondContact O-CB 3.29Å; E712-S726 PolarHBondContact O-N 3.42Å; E712-T728 PolarHBondContact OE2-OG1 3.17Å
713	M	91.9	Very high	88.7	Confident	67 Å²	67	57.9 Å²	57.9	33%	0.33	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	101.8	175.3	-66.3	-64.2	-70.7	0	0	109.5	P723 L725	M713-P723 HydrophobicContact CB-CB 4Å; M713-P723 HydrophobicContact CE-CB 4.28Å; M713-L725 HydrophobicContact SD-CB 4.06Å; M713-L725 HydrophobicContact SD-CD1 4.03Å
714	K	90.9	Very high	88.5	Confident	29 Å²	29	61.5 Å²	61.5	13%	0.126	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.5	-171.8	-67.1	-169.1	163.5	163	0	114.1	E640 E712 T716 P723 R724 T728	E640-K714 HydrophobicContact CG-CB 4.33Å; E640-K714 HydrophobicContact CG-CD 4.47Å; E640-K714 VanDerWaalsContact OE1-CD 3.29Å; E640-K714 WeakPolarHBondContact OE1-CD 3.47Å; E640-K714 WeakPolarHBondContact OE1-CE 3.37Å; E640-K714 VanDerWaalsContact OE1-CG 3.29Å; E640-K714 WeakPolarHBondContact OE1-CG 3.23Å; E712-K714 HydrophobicContact CB-CG 4.17Å; E712-K714 PolarHBondContact O-N 3.23Å; E712-K714 WeakPolarHBondContact OE2-CE 3.36Å; E712-K714 IonicContact OE2-NZ 3.13Å; E712-K714 PolarHBondContact OE2-NZ 2.89Å; K714-T716 PolarHBondContact O-N 3.42Å; K714-P723 CarbonylContact O-C 3.57Å; K714-P723 WeakPolarHBondContact O-CA 3.46Å; K714-R724 PolarHBondContact N-O 3.08Å; K714-R724 PolarHBondContact O-N 3.5Å; K714-T728 PolarHBondContact NZ-OG1 3.13Å
715	M	89	Confident	88.5	Confident	73 Å²	73	62.7 Å²	62.7	36%	0.36	35%	0.353	S	S	.	.			trans	-83.4	95.6	179.9	-71.3	-65.1	-70.6	0	0	111.4	E640 G641 G721 P723	E640-M715 HydrophobicContact CB-CB 4.47Å; E640-M715 PolarHBondContact OE2-N 3.25Å; G641-M715 PolarHBondContact N-O 2.91Å; M715-G721 WeakPolarHBondContact CE-O 3.34Å; M715-P723 HydrophobicContact SD-CB 4.26Å; M715-P723 HydrophobicContact SD-CG 3.75Å
716	T	85.4	Confident	88.5	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.055	33%	0.332	C	S	.	.			trans	-83	146.6	177.7	60.9	0	0	0	0	113.4	L637 K714 S718 S719 R724 L736	L637-T716 HydrophobicContact CD1-CG2 3.93Å; K714-T716 PolarHBondContact O-N 3.42Å; T716-S718 PolarHBondContact O-N 2.87Å; T716-S719 PolarHBondContact O-N 3.21Å; T716-S719 PolarHBondContact O-OG 3.01Å; T716-S719 VanDerWaalsContact OG1-CB 3.25Å; T716-S719 WeakPolarHBondContact OG1-CB 3.31Å; T716-S719 PolarHBondContact OG1-OG 3.15Å; T716-R724 HydrophobicContact CG2-CB 4.28Å; T716-L736 HydrophobicContact CG2-CD2 3.98Å
717	K	82.4	Confident	88.6	Confident	113 Å²	113	53.8 Å²	53.8	49%	0.491	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	134.6	170.3	-169.9	175.4	-177.1	176.1	0	110.2	R646	R646-K717 PolarHBondContact NH2-O 3.49Å
718	S	75.6	Confident	88.4	Confident	110 Å²	110	55 Å²	55	77%	0.769	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	13.8	-178.1	-42.2	0	0	0	0	117.4	T716 G720	T716-S718 PolarHBondContact O-N 2.87Å; S718-G720 VanDerWaalsContact C-N 3.29Å; S718-G720 PolarHBondContact O-N 3.26Å
719	S	77.7	Confident	87.8	Confident	14 Å²	14	55.4 Å²	55.4	10%	0.098	33%	0.327	C	S	.	.	S	Bend	trans	-85.5	13.2	172	63	0	0	0	0	115.3	T716 G721 V722	T716-S719 PolarHBondContact O-N 3.21Å; T716-S719 PolarHBondContact O-OG 3.01Å; T716-S719 VanDerWaalsContact OG1-CB 3.25Å; T716-S719 WeakPolarHBondContact OG1-CB 3.31Å; T716-S719 PolarHBondContact OG1-OG 3.15Å; S719-G721 PolarHBondContact O-N 2.67Å; S719-G721 VanDerWaalsContact O-N 3.13Å; S719-V722 WeakPolarHBondContact CB-O 3.27Å; S719-V722 PolarHBondContact O-N 3.08Å; S719-V722 PolarHBondContact OG-O 3.06Å
720	G	78.1	Confident	87	Confident	82 Å²	82	59 Å²	59	85%	0.845	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	16.7	177.5	0	0	0	0	0	115.1	S718	S718-G720 VanDerWaalsContact C-N 3.29Å; S718-G720 PolarHBondContact O-N 3.26Å
721	G	78.8	Confident	86.4	Confident	50 Å²	50	59 Å²	59	52%	0.515	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	-3.3	-174.9	0	0	0	0	0	114.7	M715 S719	M715-G721 WeakPolarHBondContact CE-O 3.34Å; S719-G721 PolarHBondContact O-N 2.67Å; S719-G721 VanDerWaalsContact O-N 3.13Å
722	V	84.3	Confident	85.9	Confident	95 Å²	95	63.3 Å²	63.3	58%	0.576	36%	0.355	S	S	*	.			trans	-87.7	125.4	178.3	-173.8	0	0	0	0	110.1	S719	S719-V722 WeakPolarHBondContact CB-O 3.27Å; S719-V722 PolarHBondContact O-N 3.08Å; S719-V722 PolarHBondContact OG-O 3.06Å
723	P	87.6	Confident	85.8	Confident	54 Å²	54	62.2 Å²	62.2	35%	0.351	35%	0.347	S	S	.	.			trans	-62.3	144.8	171.9	-20.7	31.7	0	0	0	111.6	M713 K714 M715	M713-P723 HydrophobicContact CB-CB 4Å; M713-P723 HydrophobicContact CE-CB 4.28Å; K714-P723 CarbonylContact O-C 3.57Å; K714-P723 WeakPolarHBondContact O-CA 3.46Å; M715-P723 HydrophobicContact SD-CB 4.26Å; M715-P723 HydrophobicContact SD-CG 3.75Å
724	R	90.7	Very high	85.8	Confident	125 Å²	125	59.3 Å²	59.3	47%	0.472	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.2	175.9	-67	-171.1	173.3	-168.6	-2.2	110.9	K714 T716 S726 L736	K714-R724 PolarHBondContact N-O 3.08Å; K714-R724 PolarHBondContact O-N 3.5Å; T716-R724 HydrophobicContact CG2-CB 4.28Å; R724-S726 PolarHBondContact O-N 3.45Å; R724-S726 PolarHBondContact O-OG 3.27Å; R724-S726 VanDerWaalsContact O-OG 3.1Å; R724-L736 HydrophobicContact CB-CD2 3.87Å
725	L	93.6	Very high	86	Confident	27 Å²	27	58.5 Å²	58.5	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	125.9	171	-171.4	70.6	0	0	0	109.1	L711 M713 L736 P737 W795 V801 H802	L711-L725 HydrophobicContact CB-CD1 3.95Å; L711-L725 HydrophobicContact CD1-CD1 4.29Å; L711-L725 HydrophobicContact CD1-CD2 4.5Å; L711-L725 HydrophobicContact CD2-CD1 4.49Å; L711-L725 HydrophobicContact CD2-CG 4.46Å; L711-L725 HydrophobicContact CG-CD1 4.48Å; M713-L725 HydrophobicContact SD-CB 4.06Å; M713-L725 HydrophobicContact SD-CD1 4.03Å; L725-L736 VanDerWaalsContact O-CD2 3.23Å; L725-L736 WeakPolarHBondContact O-CD2 3.21Å; L725-P737 HydrophobicContact CD2-CG 4.19Å; L725-P737 HydrophobicContact CG-CG 4.24Å; L725-P737 WeakPolarHBondContact O-CD 3.45Å; L725-W795 HydrophobicContact CD2-CE3 4Å; L725-W795 HydrophobicContact CD2-CZ3 4.47Å; L725-V801 HydrophobicContact CD2-CG2 3.59Å; L725-H802 HydrophobicContact CD1-CB 3.63Å
726	S	94.1	Very high	86.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.6	-176.1	-63.8	0	0	0	0	109.3	L711 E712 R724 F735 L736	L711-S726 WeakPolarHBondContact CA-O 3.48Å; E712-S726 PolarHBondContact N-O 3.42Å; E712-S726 WeakPolarHBondContact O-CB 3.29Å; E712-S726 PolarHBondContact O-N 3.42Å; R724-S726 PolarHBondContact O-N 3.45Å; R724-S726 PolarHBondContact O-OG 3.27Å; R724-S726 VanDerWaalsContact O-OG 3.1Å; S726-F735 CarbonylContact C-O 3.44Å; S726-F735 WeakPolarHBondContact CA-O 3.33Å; S726-L736 WeakPolarHBondContact OG-CD2 3.48Å
727	Y	95.2	Very high	86.8	Confident	8 Å²	8	58.1 Å²	58.1	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120	174	178.1	-95.4	0	0	0	109.3	V586 E697 Y699 I707 R710 L711 H734 F735	V586-Y727 HydrophobicContact CG1-CD1 4.38Å; V586-Y727 HydrophobicContact CG1-CD2 4.3Å; V586-Y727 HydrophobicContact CG1-CG 4.07Å; V586-Y727 HydrophobicContact CG2-CD2 4.04Å; V586-Y727 HydrophobicContact CG2-CE1 4.39Å; V586-Y727 HydrophobicContact CG2-CE2 3.78Å; V586-Y727 HydrophobicContact CG2-CG 4.45Å; E697-Y727 PolarHBondContact OE2-OH 3.13Å; Y699-Y727 WeakPolarHBondContact CE2-OH 3.3Å; Y699-Y727 PolarHBondContact OH-OH 3.33Å; I707-Y727 HydrophobicContact CG2-CD2 4.36Å; I707-Y727 HydrophobicContact CG2-CE2 3.98Å; R710-Y727 HydrophobicContact CB-CD2 4.1Å; R710-Y727 HydrophobicContact CB-CE2 3.76Å; L711-Y727 HydrophobicContact CD2-CD2 3.88Å; L711-Y727 HydrophobicContact CD2-CG 4.39Å; Y727-H734 WeakPolarHBondContact O-CA 3.22Å; Y727-H734 WeakPolarHBondContact O-CB 3.39Å; Y727-F735 HydrophobicContact CD1-CD1 4.41Å; Y727-F735 AromaticContact CD1-CE1 3.58Å; Y727-F735 HydrophobicContact CD1-CE1 3.58Å; Y727-F735 AromaticContact CD1-CZ 3.68Å; Y727-F735 HydrophobicContact CD1-CZ 3.68Å; Y727-F735 HydrophobicContact CE1-CE1 4.26Å; Y727-F735 HydrophobicContact CE1-CZ 4.42Å; Y727-F735 HydrophobicContact CG-CZ 4.36Å; Y727-F735 PolarHBondContact N-O 3.41Å; Y727-F735 PolarHBondContact O-N 2.93Å; Y727-F735 VanDerWaalsContact O-N 3.07Å
728	T	91.8	Very high	87.4	Confident	27 Å²	27	55.4 Å²	55.4	17%	0.166	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.2	-177.4	-62.4	0	0	0	0	111	R710 E712 K714	R710-T728 PolarHBondContact NE-O 3.23Å; R710-T728 VanDerWaalsContact NE-O 3.07Å; R710-T728 PolarHBondContact NH2-O 3.29Å; R710-T728 PolarHBondContact O-N 2.89Å; E712-T728 PolarHBondContact OE2-OG1 3.17Å; K714-T728 PolarHBondContact NZ-OG1 3.13Å
729	G	82.3	Confident	88.4	Confident	21 Å²	21	50.1 Å²	50.1	22%	0.216	29%	0.285	C	S	.	.			trans	-70.5	-168.9	179.6	0	0	0	0	0	113.5	R710 D731 R733	R710-G729 PolarHBondContact NH2-O 2.86Å; G729-D731 VanDerWaalsContact C-N 3.28Å; G729-R733 PolarHBondContact N-O 2.66Å
730	R	75.8	Confident	89.3	Confident	198 Å²	198	49.5 Å²	49.5	75%	0.747	28%	0.281	S	S	*	.	S	Bend	trans	-76	-22.8	172.2	-65.3	-170.3	-175.9	167.6	5.1	112	E697	E697-R730 WeakPolarHBondContact OE1-CG 3.23Å; E697-R730 IonicContact OE1-CZ 2.72Å; E697-R730 IonicContact OE1-NE 3.4Å; E697-R730 PolarHBondContact OE1-NE 3.19Å; E697-R730 IonicContact OE1-NH2 3.48Å
731	D	81	Confident	90.3	Very high	51 Å²	51	46.1 Å²	46.1	27%	0.273	24%	0.243	S	C	.	.	S	Bend	trans	-97.9	-179.6	171.1	63.9	-28	0	0	0	111.1	R694 G729 R733	R694-D731 IonicContact CZ-OD1 4Å; R694-D731 IonicContact CZ-OD2 3.73Å; R694-D731 IonicContact NH1-OD1 2.71Å; R694-D731 PolarHBondContact NH1-OD1 3.18Å; R694-D731 VanDerWaalsContact NH1-OD1 3.08Å; R694-D731 IonicContact NH1-OD2 2.75Å; R694-D731 PolarHBondContact NH1-OD2 3.16Å; R694-D731 VanDerWaalsContact NH1-OD2 3.08Å; R694-D731 IonicContact NH2-OD1 3.94Å; R694-D731 IonicContact NH2-OD2 2.85Å; R694-D731 PolarHBondContact NH2-OD2 2.86Å; G729-D731 VanDerWaalsContact C-N 3.28Å; D731-R733 PolarHBondContact O-N 2.81Å; D731-R733 WeakPolarHBondContact OD2-CD 3.3Å; D731-R733 WeakPolarHBondContact OD2-CG 3.43Å; D731-R733 IonicContact OD2-NE 2.87Å; D731-R733 PolarHBondContact OD2-NE 3.34Å
732	D	83.8	Confident	91.1	Very high	96 Å²	96	43.8 Å²	43.8	51%	0.513	22%	0.218	S	C	.	.	S	Bend	trans	-74	21	-179.7	70.5	-16	0	0	0	114.5	K638	K638-D732 WeakPolarHBondContact CE-OD1 3.4Å; K638-D732 WeakPolarHBondContact CE-OD2 3.47Å; K638-D732 IonicContact NZ-OD1 3.82Å; K638-D732 PolarHBondContact NZ-OD1 2.77Å; K638-D732 IonicContact NZ-OD2 3.56Å; K638-D732 PolarHBondContact NZ-OD2 2.91Å
733	R	91	Very high	91.7	Very high	58 Å²	58	39.9 Å²	39.9	22%	0.219	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	147	178.2	-58.3	-174.3	-166.3	-165.2	-2.1	110.8	E636 L637 K638 G729 D731	E636-R733 WeakPolarHBondContact OE2-CD 3.5Å; E636-R733 IonicContact OE2-CZ 3.47Å; E636-R733 IonicContact OE2-NE 2.82Å; E636-R733 IonicContact OE2-NH1 2.84Å; E636-R733 PolarHBondContact OE2-NH1 2.71Å; L637-R733 VanDerWaalsContact O-CA 3.31Å; L637-R733 WeakPolarHBondContact O-CA 3.26Å; K638-R733 HydrophobicContact CB-CG 4.4Å; G729-R733 PolarHBondContact N-O 2.66Å; D731-R733 PolarHBondContact O-N 2.81Å; D731-R733 WeakPolarHBondContact OD2-CD 3.3Å; D731-R733 WeakPolarHBondContact OD2-CG 3.43Å; D731-R733 IonicContact OD2-NE 2.87Å; D731-R733 PolarHBondContact OD2-NE 3.34Å
734	H	93.6	Very high	92.1	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	162.4	175.1	58.8	-77.7	0	0	0	110.5	L637 Y727	L637-H734 WeakPolarHBondContact CB-NE2 3.47Å; L637-H734 WeakPolarHBondContact CB-O 3.31Å; L637-H734 PolarHBondContact N-O 2.99Å; L637-H734 PolarHBondContact O-N 3.43Å; L637-H734 PolarHBondContact O-ND1 3.39Å; L637-H734 VanDerWaalsContact O-ND1 3.14Å; Y727-H734 WeakPolarHBondContact O-CA 3.22Å; Y727-H734 WeakPolarHBondContact O-CB 3.39Å
735	F	94.9	Very high	92.4	Very high	13 Å²	13	31.6 Å²	31.6	6%	0.057	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	166.9	168	64.1	-91.9	0	0	0	110.1	V586 V634 H651 S726 Y727 P737	V586-F735 HydrophobicContact CB-CZ 4.36Å; V586-F735 HydrophobicContact CG1-CE2 4.1Å; V586-F735 HydrophobicContact CG1-CZ 4.01Å; V634-F735 HydrophobicContact CG1-CB 3.43Å; V634-F735 VanDerWaalsContact CG1-CB 3.43Å; V634-F735 HydrophobicContact CG1-CD1 4.12Å; V634-F735 HydrophobicContact CG1-CD2 3.89Å; V634-F735 HydrophobicContact CG1-CG 3.56Å; H651-F735 AromaticContact CE1-CD1 3.99Å; S726-F735 CarbonylContact C-O 3.44Å; S726-F735 WeakPolarHBondContact CA-O 3.33Å; Y727-F735 HydrophobicContact CD1-CD1 4.41Å; Y727-F735 AromaticContact CD1-CE1 3.58Å; Y727-F735 HydrophobicContact CD1-CE1 3.58Å; Y727-F735 AromaticContact CD1-CZ 3.68Å; Y727-F735 HydrophobicContact CD1-CZ 3.68Å; Y727-F735 HydrophobicContact CE1-CE1 4.26Å; Y727-F735 HydrophobicContact CE1-CZ 4.42Å; Y727-F735 HydrophobicContact CG-CZ 4.36Å; Y727-F735 PolarHBondContact N-O 3.41Å; Y727-F735 PolarHBondContact O-N 2.93Å; Y727-F735 VanDerWaalsContact O-N 3.07Å; F735-P737 HydrophobicContact CE2-CB 4.27Å; F735-P737 WeakPolarHBondContact O-CD 3.37Å
736	L	94.4	Very high	92.4	Very high	58 Å²	58	30.3 Å²	30.3	30%	0.304	15%	0.149	S	C	.	.			trans	-84.7	111.3	175.6	-59.5	-177.2	0	0	0	108.9	L637 T716 R724 L725 S726	L637-L736 HydrophobicContact CD1-CG 4.42Å; T716-L736 HydrophobicContact CG2-CD2 3.98Å; R724-L736 HydrophobicContact CB-CD2 3.87Å; L725-L736 VanDerWaalsContact O-CD2 3.23Å; L725-L736 WeakPolarHBondContact O-CD2 3.21Å; S726-L736 WeakPolarHBondContact OG-CD2 3.48Å
737	P	96	Very high	92.4	Very high	16 Å²	16	32.4 Å²	32.4	10%	0.104	16%	0.16	C	C	.	.			trans	-75.8	142.8	-176.9	32.5	-34.3	0	0	0	111.1	V586 G587 L711 L725 F735 W795	V586-P737 HydrophobicContact CG1-CB 3.62Å; G587-P737 CarbonylContact O-C 3.6Å; G587-P737 WeakPolarHBondContact O-CA 3.48Å; L711-P737 HydrophobicContact CD2-CG 4.05Å; L725-P737 HydrophobicContact CD2-CG 4.19Å; L725-P737 HydrophobicContact CG-CG 4.24Å; L725-P737 WeakPolarHBondContact O-CD 3.45Å; F735-P737 HydrophobicContact CE2-CB 4.27Å; F735-P737 WeakPolarHBondContact O-CD 3.37Å; P737-W795 HydrophobicContact CB-CE3 3.86Å; P737-W795 HydrophobicContact CB-CZ3 3.64Å; P737-W795 HydrophobicContact CG-CE3 3.85Å; P737-W795 HydrophobicContact CG-CZ3 3.69Å
738	T	96.1	Very high	92.3	Very high	55 Å²	55	36.1 Å²	36.1	34%	0.337	18%	0.178	S	C	.	.			trans	-98.8	-18.2	178.3	55.1	0	0	0	0	112.9	G587 G588 W795	G587-T738 PolarHBondContact O-N 2.92Å; G587-T738 PolarHBondContact O-OG1 2.93Å; G588-T738 PolarHBondContact N-OG1 3.2Å; T738-W795 PolarHBondContact O-N 3.47Å
739	G	96.4	Very high	92.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-161.8	-175	0	0	0	0	0	113	G587 W793	G587-G739 PolarHBondContact N-O 2.89Å; G739-W793 CarbonylContact C-O 3.48Å; G739-W793 WeakPolarHBondContact CA-O 3.36Å
740	L	96.8	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.1	179.2	-168.3	70.9	0	0	0	110.4	C584 V586 M704 I707 I742 W793 W795	C584-L740 HydrophobicContact CB-CD1 3.98Å; C584-L740 HydrophobicContact CB-CD2 3.94Å; C584-L740 HydrophobicContact CB-CG 3.9Å; V586-L740 HydrophobicContact CG2-CD1 4.19Å; M704-L740 HydrophobicContact CE-CD2 3.71Å; M704-L740 HydrophobicContact SD-CD2 4.28Å; I707-L740 HydrophobicContact CD1-CD1 3.47Å; I707-L740 VanDerWaalsContact CD1-CD1 3.47Å; I707-L740 HydrophobicContact CD1-CD2 4.39Å; L740-I742 HydrophobicContact CD2-CD1 3.7Å; L740-I742 HydrophobicContact CG-CD1 3.9Å; L740-W793 HydrophobicContact CB-CB 4.36Å; L740-W793 HydrophobicContact CB-CE3 3.92Å; L740-W793 HydrophobicContact CD2-CE3 4.01Å; L740-W793 HydrophobicContact CD2-CZ3 4.35Å; L740-W793 PolarHBondContact N-O 3.21Å; L740-W793 PolarHBondContact O-N 3.33Å; L740-W795 HydrophobicContact CB-CZ2 4.17Å
741	Y	97.4	Very high	93.9	Very high	12 Å²	12	26.7 Å²	26.7	5%	0.047	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.9	167.5	-65.1	-95.5	0	0	0	109.2	I565 C584 I585 Q591 E632 M653 L791 F792	I565-Y741 HydrophobicContact CD1-CD1 3.63Å; I565-Y741 HydrophobicContact CD1-CE1 3.46Å; I565-Y741 VanDerWaalsContact CD1-CE1 3.46Å; C584-Y741 CarbonylContact C-O 3.6Å; C584-Y741 WeakPolarHBondContact CA-O 3.33Å; C584-Y741 WeakPolarHBondContact CB-O 3.36Å; I585-Y741 PolarHBondContact N-O 3.47Å; I585-Y741 PolarHBondContact O-N 2.77Å; Q591-Y741 HydrophobicContact CB-CE1 4.41Å; E632-Y741 WeakPolarHBondContact OE1-CE2 3.39Å; E632-Y741 PolarHBondContact OE1-OH 3.21Å; M653-Y741 HydrophobicContact CE-CD1 4.44Å; M653-Y741 HydrophobicContact CE-CD2 3.44Å; M653-Y741 VanDerWaalsContact CE-CD2 3.44Å; M653-Y741 HydrophobicContact CE-CE2 3.61Å; M653-Y741 HydrophobicContact CE-CG 3.89Å; Y741-L791 CarbonylContact C-O 3.54Å; Y741-L791 WeakPolarHBondContact CA-O 3.36Å; Y741-F792 AromaticContact CD1-CD2 3.82Å; Y741-F792 HydrophobicContact CD1-CD2 3.82Å; Y741-F792 AromaticContact CD2-CD2 3.89Å; Y741-F792 HydrophobicContact CD2-CD2 3.89Å; Y741-F792 AromaticContact CD2-CE2 3.89Å; Y741-F792 HydrophobicContact CD2-CE2 3.89Å; Y741-F792 AromaticContact CE1-CD2 3.86Å; Y741-F792 HydrophobicContact CE1-CD2 3.86Å; Y741-F792 HydrophobicContact CE1-CE2 4.33Å; Y741-F792 AromaticContact CE2-CD2 3.94Å; Y741-F792 HydrophobicContact CE2-CD2 3.94Å; Y741-F792 AromaticContact CE2-CE2 3.67Å; Y741-F792 HydrophobicContact CE2-CE2 3.67Å; Y741-F792 AromaticContact CG-CD2 3.84Å; Y741-F792 HydrophobicContact CG-CD2 3.84Å; Y741-F792 HydrophobicContact CG-CE2 4.32Å; Y741-F792 AromaticContact CZ-CD2 3.93Å; Y741-F792 AromaticContact CZ-CE2 3.91Å
742	I	97.6	Very high	94.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.4	170.2	-40.2	-61.8	0	0	0	107.7	L568 L576 Y582 R583 C584 L701 L740 R790 L791 F818	L568-I742 HydrophobicContact CD2-CG1 4.14Å; L576-I742 HydrophobicContact CD1-CG1 4.32Å; L576-I742 HydrophobicContact CD1-CG2 4.15Å; L576-I742 HydrophobicContact CD2-CG2 3.75Å; Y582-I742 HydrophobicContact CD1-CG2 3.79Å; Y582-I742 HydrophobicContact CG-CG2 4.04Å; R583-I742 WeakPolarHBondContact O-CA 3.29Å; C584-I742 HydrophobicContact CB-CD1 3.78Å; L701-I742 HydrophobicContact CD1-CD1 4.05Å; L701-I742 HydrophobicContact CD1-CG2 4.32Å; L701-I742 HydrophobicContact CD2-CG2 4.2Å; L740-I742 HydrophobicContact CD2-CD1 3.7Å; L740-I742 HydrophobicContact CG-CD1 3.9Å; I742-R790 WeakPolarHBondContact O-CA 3.5Å; I742-L791 HydrophobicContact CB-CB 4.2Å; I742-L791 HydrophobicContact CG1-CB 4.46Å; I742-L791 PolarHBondContact N-O 3.47Å; I742-L791 PolarHBondContact O-N 3.27Å; I742-F818 HydrophobicContact CD1-CE1 4.24Å; I742-F818 HydrophobicContact CD1-CZ 4.15Å
743	I	96.9	Very high	94.8	Very high	13 Å²	13	21 Å²	21	7%	0.067	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.7	-169.6	-56.9	174.6	0	0	0	108.4	Y582 R583 I585 F668 T745 C786	Y582-I743 WeakPolarHBondContact CA-O 3.4Å; R583-I743 PolarHBondContact N-O 2.98Å; R583-I743 PolarHBondContact O-N 3.15Å; I585-I743 HydrophobicContact CD1-CD1 3.76Å; I585-I743 HydrophobicContact CG1-CD1 4.19Å; F668-I743 HydrophobicContact CD2-CG2 4.02Å; F668-I743 HydrophobicContact CE1-CD1 4.43Å; F668-I743 HydrophobicContact CE2-CD1 3.88Å; F668-I743 HydrophobicContact CE2-CG2 3.98Å; F668-I743 HydrophobicContact CG-CG2 4.42Å; F668-I743 HydrophobicContact CZ-CD1 3.61Å; F668-I743 HydrophobicContact CZ-CG2 4.31Å; I743-T745 HydrophobicContact CG2-CG2 4.47Å; I743-C786 HydrophobicContact CG2-CB 3.81Å
744	K	95.8	Very high	94.8	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.026	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.1	173.1	-166	-178.3	-176.9	-176.6	0	109.4	Y582 V746 E748 V785 C786 E789	Y582-K744 HydrophobicContact CD1-CB 4.03Å; Y582-K744 HydrophobicContact CD1-CG 4.47Å; Y582-K744 HydrophobicContact CE1-CB 3.65Å; Y582-K744 HydrophobicContact CE1-CG 3.92Å; K744-V746 VanDerWaalsContact CE-O 3.26Å; K744-V746 WeakPolarHBondContact CE-O 3.2Å; K744-V746 WeakPolarHBondContact CG-O 3.38Å; K744-E748 IonicContact NZ-OE1 2.75Å; K744-E748 PolarHBondContact NZ-OE1 3.44Å; K744-E748 VanDerWaalsContact NZ-OE1 3.15Å; K744-V785 HydrophobicContact CD-CG1 4.47Å; K744-C786 PolarHBondContact O-SG 3.18Å; K744-E789 HydrophobicContact CB-CB 4.47Å; K744-E789 HydrophobicContact CD-CB 4.38Å; K744-E789 WeakPolarHBondContact CD-OE2 3.34Å; K744-E789 WeakPolarHBondContact CE-OE2 3.44Å; K744-E789 IonicContact NZ-OE1 2.74Å; K744-E789 PolarHBondContact NZ-OE1 2.7Å; K744-E789 IonicContact NZ-OE2 3.15Å; K744-E789 PolarHBondContact NZ-OE2 2.95Å
745	T	95.6	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.			trans	-116.6	-13.4	-176.2	61.3	0	0	0	0	114.1	D581 R583 H667 F668 I743 A781	D581-T745 PolarHBondContact O-N 3.44Å; D581-T745 PolarHBondContact O-OG1 3.26Å; R583-T745 HydrophobicContact CB-CG2 4.15Å; R583-T745 HydrophobicContact CG-CG2 3.5Å; R583-T745 VanDerWaalsContact CG-CG2 3.5Å; H667-T745 PolarHBondContact CD2-O 2.97Å; H667-T745 PolarHBondContact NE2-O 2.94Å; F668-T745 HydrophobicContact CB-CG2 3.55Å; F668-T745 HydrophobicContact CD1-CG2 3.57Å; F668-T745 HydrophobicContact CG-CG2 3.7Å; I743-T745 HydrophobicContact CG2-CG2 4.47Å; T745-A781 WeakPolarHBondContact O-CB 3.34Å; T745-A781 PolarHBondContact O-N 3.3Å
746	V	94.8	Very high	94.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-107.9	135.1	175.6	-175.6	0	0	0	0	109.7	D581 K744 W750 M752 F763 A779	D581-V746 HydrophobicContact CB-CB 4.01Å; D581-V746 HydrophobicContact CB-CG2 4.12Å; D581-V746 WeakPolarHBondContact OD1-CB 3.49Å; D581-V746 WeakPolarHBondContact OD1-CG2 3.19Å; K744-V746 VanDerWaalsContact CE-O 3.26Å; K744-V746 WeakPolarHBondContact CE-O 3.2Å; K744-V746 WeakPolarHBondContact CG-O 3.38Å; V746-W750 HydrophobicContact CG1-CB 3.93Å; V746-M752 HydrophobicContact CG2-CG 3.89Å; V746-M752 HydrophobicContact CG2-SD 3.93Å; V746-F763 HydrophobicContact CG1-CD1 4.37Å; V746-F763 HydrophobicContact CG1-CE1 4.38Å; V746-F763 HydrophobicContact CG2-CE1 4.15Å; V746-A779 CarbonylContact C-O 3.55Å; V746-A779 VanDerWaalsContact CA-O 3.31Å; V746-A779 WeakPolarHBondContact CA-O 3.31Å
747	N	94.2	Very high	93.9	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.23	17%	0.168	C	C	.	.			trans	-95.7	146.7	-175.5	-172.6	44.9	0	0	0	112.1	W750 N778 A779 A781	N747-W750 WeakPolarHBondContact O-CB 3.37Å; N747-W750 PolarHBondContact O-N 2.97Å; N747-N778 PolarHBondContact ND2-O 3.07Å; N747-A779 PolarHBondContact N-O 3.44Å; N747-A781 HydrophobicContact CB-CB 4.46Å
748	E	91.9	Very high	93.6	Very high	86 Å²	86	34.5 Å²	34.5	40%	0.402	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	144	174	-65.4	-61.6	149	0	0	111.3	K744 K766	K744-E748 IonicContact NZ-OE1 2.75Å; K744-E748 PolarHBondContact NZ-OE1 3.44Å; K744-E748 VanDerWaalsContact NZ-OE1 3.15Å; E748-K766 IonicContact OE1-NZ 2.88Å; E748-K766 PolarHBondContact OE1-NZ 2.76Å; E748-K766 WeakPolarHBondContact OE2-CE 3.09Å; E748-K766 IonicContact OE2-NZ 2.68Å; E748-K766 PolarHBondContact OE2-NZ 3.3Å
749	P	94.6	Very high	93.2	Very high	27 Å²	27	37.6 Å²	37.6	18%	0.175	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.3	11.8	4.7	37.8	-38.4	0	0	0	114.5	K766 L767	P749-K766 WeakPolarHBondContact O-CB 3.38Å; P749-K766 WeakPolarHBondContact O-CE 3.3Å; P749-K766 WeakPolarHBondContact O-CG 3.47Å; P749-K766 PolarHBondContact O-N 3.41Å; P749-L767 HydrophobicContact CB-CB 4.35Å; P749-L767 HydrophobicContact CB-CD1 3.69Å; P749-L767 HydrophobicContact CB-CG 3.68Å; P749-L767 HydrophobicContact CG-CD1 4.05Å; P749-L767 HydrophobicContact CG-CG 4.33Å
750	W	95.5	Very high	93	Very high	18 Å²	18	43.7 Å²	43.7	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	160	-177.7	-63.6	97.9	0	0	0	112.1	V746 N747 F763 Y764 N765 T772 P776 N778 A779	V746-W750 HydrophobicContact CG1-CB 3.93Å; N747-W750 WeakPolarHBondContact O-CB 3.37Å; N747-W750 PolarHBondContact O-N 2.97Å; W750-F763 HydrophobicContact CE3-CB 3.95Å; W750-F763 HydrophobicContact CZ3-CB 4.29Å; W750-Y764 CarbonylContact C-O 3.58Å; W750-Y764 WeakPolarHBondContact CA-O 3.49Å; W750-Y764 VanDerWaalsContact CE3-C 3.43Å; W750-N765 HydrophobicContact CD2-CB 4.1Å; W750-N765 HydrophobicContact CE3-CB 3.75Å; W750-N765 HydrophobicContact CH2-CB 3.79Å; W750-N765 HydrophobicContact CZ2-CB 4.14Å; W750-N765 WeakPolarHBondContact CZ2-ND2 3.4Å; W750-N765 HydrophobicContact CZ3-CB 3.6Å; W750-T772 HydrophobicContact CH2-CG2 4.27Å; W750-T772 HydrophobicContact CZ3-CG2 4.09Å; W750-P776 HydrophobicContact CD2-CB 4.29Å; W750-P776 HydrophobicContact CD2-CG 3.76Å; W750-P776 HydrophobicContact CE3-CG 3.8Å; W750-P776 HydrophobicContact CH2-CB 4.23Å; W750-P776 HydrophobicContact CH2-CG 3.54Å; W750-P776 HydrophobicContact CZ2-CB 3.67Å; W750-P776 HydrophobicContact CZ2-CG 3.47Å; W750-P776 VanDerWaalsContact CZ2-CG 3.47Å; W750-P776 HydrophobicContact CZ3-CG 3.69Å; W750-N778 PolarHBondContact NE1-ND2 2.9Å; W750-N778 PolarHBondContact NE1-OD1 3.1Å; W750-A779 HydrophobicContact CB-CB 3.73Å; W750-A779 HydrophobicContact CD2-CB 4.26Å; W750-A779 HydrophobicContact CG-CB 3.6Å
751	T	94.6	Very high	92.7	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	154.6	169.3	-168	0	0	0	0	108.8	Q578 D581 F763 Y764 K766	Q578-T751 WeakPolarHBondContact CB-OG1 3.49Å; Q578-T751 WeakPolarHBondContact CG-OG1 3.46Å; Q578-T751 PolarHBondContact OE1-OG1 2.87Å; D581-T751 WeakPolarHBondContact OD1-CA 3.35Å; D581-T751 PolarHBondContact OD1-OG1 2.97Å; D581-T751 WeakPolarHBondContact OD2-CB 3.37Å; D581-T751 PolarHBondContact OD2-OG1 2.94Å; T751-F763 CarbonylContact O-C 3.5Å; T751-F763 WeakPolarHBondContact O-CA 3.48Å; T751-Y764 HydrophobicContact CG2-CD1 4.23Å; T751-Y764 PolarHBondContact N-O 2.77Å; T751-Y764 PolarHBondContact O-N 3.25Å; T751-K766 HydrophobicContact CG2-CD 4.04Å; T751-K766 HydrophobicContact CG2-CG 3.99Å
752	M	93.6	Very high	92.6	Very high	21 Å²	21	47.6 Å²	47.6	10%	0.103	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.4	175.9	-75	-177.5	78.7	0	0	110.8	F580 D581 V746 K761 F762 F763	F580-M752 HydrophobicContact CB-CB 3.61Å; D581-M752 PolarHBondContact OD1-N 3.5Å; V746-M752 HydrophobicContact CG2-CG 3.89Å; V746-M752 HydrophobicContact CG2-SD 3.93Å; M752-K761 HydrophobicContact CE-CB 4.03Å; M752-K761 HydrophobicContact CE-CD 4.04Å; M752-F762 WeakPolarHBondContact CA-O 3.25Å; M752-F763 HydrophobicContact CE-CE2 4.38Å; M752-F763 HydrophobicContact CE-CZ 4.12Å; M752-F763 HydrophobicContact CG-CD1 3.66Å; M752-F763 HydrophobicContact CG-CE1 3.46Å; M752-F763 VanDerWaalsContact CG-CE1 3.46Å; M752-F763 HydrophobicContact CG-CE2 4.49Å; M752-F763 HydrophobicContact CG-CG 4.28Å; M752-F763 HydrophobicContact CG-CZ 3.91Å; M752-F763 HydrophobicContact SD-CE1 3.79Å; M752-F763 HydrophobicContact SD-CZ 3.77Å
753	A	90.3	Very high	92.4	Very high	8 Å²	8	48.4 Å²	48.4	7%	0.066	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	169.8	175.9	0	0	0	0	0	111	K761 F762	A753-K761 VanDerWaalsContact O-CA 3.3Å; A753-K761 WeakPolarHBondContact O-CA 3.3Å; A753-F762 HydrophobicContact CB-CD1 4.41Å; A753-F762 HydrophobicContact CB-CE1 3.75Å; A753-F762 HydrophobicContact CB-CE2 4.25Å; A753-F762 HydrophobicContact CB-CZ 3.67Å; A753-F762 PolarHBondContact N-O 3.01Å; A753-F762 WeakPolarHBondContact O-CD1 3.22Å; A753-F762 PolarHBondContact O-N 2.91Å
754	Y	90.3	Very high	92.3	Very high	68 Å²	68	51.3 Å²	51.3	27%	0.267	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.4	-179.3	-168.6	-97.2	0	0	0	112.8	K756 N759 K761	Y754-K756 HydrophobicContact CD1-CG 4.49Å; Y754-K756 PolarHBondContact O-N 3.45Å; Y754-N759 PolarHBondContact OH-O 3.38Å; Y754-N759 PolarHBondContact OH-OD1 3.16Å; Y754-K761 HydrophobicContact CD2-CG 3.75Å; Y754-K761 HydrophobicContact CE2-CG 4.37Å
755	S	89.4	Confident	92.3	Very high	22 Å²	22	51.5 Å²	51.5	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.7	174.4	174.3	0	0	0	0	110.5	N757 S758 N759 K760	S755-N757 PolarHBondContact O-N 3.43Å; S755-S758 WeakPolarHBondContact CB-OG 3.3Å; S755-S758 PolarHBondContact OG-N 2.91Å; S755-S758 PolarHBondContact OG-OG 3.48Å; S755-N759 VanDerWaalsContact O-CA 3.31Å; S755-N759 WeakPolarHBondContact O-CA 3.45Å; S755-N759 PolarHBondContact O-N 3.24Å; S755-K760 WeakPolarHBondContact CB-O 3.11Å; S755-K760 PolarHBondContact N-O 2.98Å; S755-K760 PolarHBondContact O-N 3.08Å
756	K	86.7	Confident	92.2	Very high	130 Å²	130	54.3 Å²	54.3	57%	0.565	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31	172.6	-65.4	-179.4	177.7	179	0	112.3	Y754	Y754-K756 HydrophobicContact CD1-CG 4.49Å; Y754-K756 PolarHBondContact O-N 3.45Å
757	N	88.3	Confident	92.2	Very high	167 Å²	167	60.8 Å²	60.8	89%	0.893	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-36	-177.5	-65.8	0.5	0	0	0	113.2	S755	S755-N757 PolarHBondContact O-N 3.43Å
758	S	88.1	Confident	92.2	Very high	46 Å²	46	62.3 Å²	62.3	32%	0.322	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-0.2	179.6	60.3	0	0	0	0	113.5	S755 K760 Y773	S755-S758 WeakPolarHBondContact CB-OG 3.3Å; S755-S758 PolarHBondContact OG-N 2.91Å; S755-S758 PolarHBondContact OG-OG 3.48Å; S758-K760 WeakPolarHBondContact O-CG 3.48Å; S758-K760 PolarHBondContact O-N 3.4Å; S758-Y773 PolarHBondContact OG-OH 3.02Å
759	N	89.4	Confident	92.3	Very high	119 Å²	119	64.4 Å²	64.4	64%	0.636	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	33.4	-177.7	-152.6	65.9	0	0	0	113	Y754 S755	Y754-N759 PolarHBondContact OH-O 3.38Å; Y754-N759 PolarHBondContact OH-OD1 3.16Å; S755-N759 VanDerWaalsContact O-CA 3.31Å; S755-N759 WeakPolarHBondContact O-CA 3.45Å; S755-N759 PolarHBondContact O-N 3.24Å
760	K	90.7	Very high	92.2	Very high	129 Å²	129	68.7 Å²	68.7	56%	0.561	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.3	-171.6	-78	174.4	-178.5	-176.9	0	111.8	S755 S758 Y773	S755-K760 WeakPolarHBondContact CB-O 3.11Å; S755-K760 PolarHBondContact N-O 2.98Å; S755-K760 PolarHBondContact O-N 3.08Å; S758-K760 WeakPolarHBondContact O-CG 3.48Å; S758-K760 PolarHBondContact O-N 3.4Å; K760-Y773 HydrophobicContact CB-CD1 4.15Å; K760-Y773 HydrophobicContact CB-CE1 3.8Å; K760-Y773 HydrophobicContact CD-CE1 4.47Å
761	K	91.6	Very high	92.2	Very high	57 Å²	57	71.4 Å²	71.4	25%	0.248	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	147.6	168.3	-67.5	179.6	-179	-174.9	0	110.5	F580 E702 M752 A753 Y754 Y773	F580-K761 HydrophobicContact CD1-CD 4.2Å; F580-K761 VanDerWaalsContact CD1-CE 3.41Å; F580-K761 VanDerWaalsContact CD1-NZ 3.32Å; F580-K761 HydrophobicContact CG-CD 4.49Å; E702-K761 IonicContact OE1-NZ 3.33Å; E702-K761 PolarHBondContact OE1-NZ 3.44Å; M752-K761 HydrophobicContact CE-CB 4.03Å; M752-K761 HydrophobicContact CE-CD 4.04Å; A753-K761 VanDerWaalsContact O-CA 3.3Å; A753-K761 WeakPolarHBondContact O-CA 3.3Å; Y754-K761 HydrophobicContact CD2-CG 3.75Å; Y754-K761 HydrophobicContact CE2-CG 4.37Å; K761-Y773 WeakPolarHBondContact O-CD1 3.5Å
762	F	93.8	Very high	92.2	Very high	37 Å²	37	73.3 Å²	73.3	16%	0.162	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.1	176.7	68.4	-81.1	0	0	0	110.3	M752 A753 T772 Y773	M752-F762 WeakPolarHBondContact CA-O 3.25Å; A753-F762 HydrophobicContact CB-CD1 4.41Å; A753-F762 HydrophobicContact CB-CE1 3.75Å; A753-F762 HydrophobicContact CB-CE2 4.25Å; A753-F762 HydrophobicContact CB-CZ 3.67Å; A753-F762 PolarHBondContact N-O 3.01Å; A753-F762 WeakPolarHBondContact O-CD1 3.22Å; A753-F762 PolarHBondContact O-N 2.91Å; F762-T772 CarbonylContact C-O 3.59Å; F762-T772 WeakPolarHBondContact CA-O 3.37Å; F762-T772 WeakPolarHBondContact CB-O 3.47Å; F762-Y773 HydrophobicContact CB-CD1 3.84Å; F762-Y773 HydrophobicContact CB-CE1 3.88Å
763	F	95.1	Very high	92.2	Very high	17 Å²	17	78.2 Å²	78.2	8%	0.075	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134	171.3	-66	-93.8	0	0	0	109.6	V746 W750 T751 M752 S771 T772 M775 P776 A779	V746-F763 HydrophobicContact CG1-CD1 4.37Å; V746-F763 HydrophobicContact CG1-CE1 4.38Å; V746-F763 HydrophobicContact CG2-CE1 4.15Å; W750-F763 HydrophobicContact CE3-CB 3.95Å; W750-F763 HydrophobicContact CZ3-CB 4.29Å; T751-F763 CarbonylContact O-C 3.5Å; T751-F763 WeakPolarHBondContact O-CA 3.48Å; M752-F763 HydrophobicContact CE-CE2 4.38Å; M752-F763 HydrophobicContact CE-CZ 4.12Å; M752-F763 HydrophobicContact CG-CD1 3.66Å; M752-F763 HydrophobicContact CG-CE1 3.46Å; M752-F763 VanDerWaalsContact CG-CE1 3.46Å; M752-F763 HydrophobicContact CG-CE2 4.49Å; M752-F763 HydrophobicContact CG-CG 4.28Å; M752-F763 HydrophobicContact CG-CZ 3.91Å; M752-F763 HydrophobicContact SD-CE1 3.79Å; M752-F763 HydrophobicContact SD-CZ 3.77Å; F763-S771 CarbonylContact O-C 3.52Å; F763-S771 VanDerWaalsContact O-CA 3.31Å; F763-S771 WeakPolarHBondContact O-CA 3.48Å; F763-T772 HydrophobicContact CB-CG2 4.18Å; F763-T772 PolarHBondContact N-O 3.44Å; F763-T772 PolarHBondContact O-N 3.03Å; F763-M775 HydrophobicContact CD2-CB 4.31Å; F763-M775 HydrophobicContact CE1-CB 4.45Å; F763-M775 HydrophobicContact CE1-CG 3.93Å; F763-M775 VanDerWaalsContact CE2-CA 3.49Å; F763-M775 HydrophobicContact CE2-CB 3.6Å; F763-M775 HydrophobicContact CE2-CG 4Å; F763-M775 HydrophobicContact CZ-CB 3.68Å; F763-M775 HydrophobicContact CZ-CG 3.56Å; F763-M775 HydrophobicContact CZ-SD 4.13Å; F763-P776 HydrophobicContact CB-CG 4.28Å; F763-A779 HydrophobicContact CD1-CB 4.06Å; F763-A779 HydrophobicContact CE1-CB 4.3Å
764	Y	94.4	Very high	92.3	Very high	73 Å²	73	84.1 Å²	84.1	29%	0.286	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.2	178.9	177.5	-118.1	0	0	0	110.5	W750 T751 K766 K769 E770 S771	W750-Y764 CarbonylContact C-O 3.58Å; W750-Y764 WeakPolarHBondContact CA-O 3.49Å; W750-Y764 VanDerWaalsContact CE3-C 3.43Å; T751-Y764 HydrophobicContact CG2-CD1 4.23Å; T751-Y764 PolarHBondContact N-O 2.77Å; T751-Y764 PolarHBondContact O-N 3.25Å; Y764-K766 HydrophobicContact CD1-CG 4.38Å; Y764-K769 HydrophobicContact CE2-CB 4.44Å; Y764-K769 WeakPolarHBondContact CE2-O 3.33Å; Y764-K769 VanDerWaalsContact OH-CD 3.23Å; Y764-K769 WeakPolarHBondContact OH-CD 3.37Å; Y764-E770 WeakPolarHBondContact CA-O 3.42Å; Y764-E770 WeakPolarHBondContact CD2-O 3.47Å; Y764-S771 WeakPolarHBondContact CD2-OG 3.31Å
765	N	95.3	Very high	92.2	Very high	10 Å²	10	84.4 Å²	84.4	5%	0.053	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.7	176.3	-168.5	-44.6	0	0	0	109.8	W750 L767 T768 K769 E770	W750-N765 HydrophobicContact CD2-CB 4.1Å; W750-N765 HydrophobicContact CE3-CB 3.75Å; W750-N765 HydrophobicContact CH2-CB 3.79Å; W750-N765 HydrophobicContact CZ2-CB 4.14Å; W750-N765 WeakPolarHBondContact CZ2-ND2 3.4Å; W750-N765 HydrophobicContact CZ3-CB 3.6Å; N765-L767 PolarHBondContact O-N 2.93Å; N765-L767 WeakPolarHBondContact OD1-CB 3.1Å; N765-L767 PolarHBondContact OD1-N 3.39Å; N765-T768 WeakPolarHBondContact CB-OG1 3.37Å; N765-T768 PolarHBondContact ND2-OG1 3.37Å; N765-T768 PolarHBondContact OD1-N 3.15Å; N765-K769 VanDerWaalsContact O-CA 3.3Å; N765-K769 WeakPolarHBondContact O-CA 3.2Å; N765-K769 PolarHBondContact O-N 3.01Å; N765-E770 PolarHBondContact N-O 3.39Å
766	K	93	Very high	92.3	Very high	59 Å²	59	84 Å²	84	26%	0.257	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.9	-177	-66.6	176.3	-66.6	-163.4	0	112.9	E748 P749 T751 Y764 K769	E748-K766 IonicContact OE1-NZ 2.88Å; E748-K766 PolarHBondContact OE1-NZ 2.76Å; E748-K766 WeakPolarHBondContact OE2-CE 3.09Å; E748-K766 IonicContact OE2-NZ 2.68Å; E748-K766 PolarHBondContact OE2-NZ 3.3Å; P749-K766 WeakPolarHBondContact O-CB 3.38Å; P749-K766 WeakPolarHBondContact O-CE 3.3Å; P749-K766 WeakPolarHBondContact O-CG 3.47Å; P749-K766 PolarHBondContact O-N 3.41Å; T751-K766 HydrophobicContact CG2-CD 4.04Å; T751-K766 HydrophobicContact CG2-CG 3.99Å; Y764-K766 HydrophobicContact CD1-CG 4.38Å; K766-K769 PolarHBondContact O-NZ 2.67Å
767	L	94.4	Very high	92.4	Very high	136 Å²	136	83.9 Å²	83.9	71%	0.712	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-58.2	178.7	-62.2	179.4	0	0	0	112.3	P749 N765 K769	P749-L767 HydrophobicContact CB-CB 4.35Å; P749-L767 HydrophobicContact CB-CD1 3.69Å; P749-L767 HydrophobicContact CB-CG 3.68Å; P749-L767 HydrophobicContact CG-CD1 4.05Å; P749-L767 HydrophobicContact CG-CG 4.33Å; N765-L767 PolarHBondContact O-N 2.93Å; N765-L767 WeakPolarHBondContact OD1-CB 3.1Å; N765-L767 PolarHBondContact OD1-N 3.39Å; L767-K769 VanDerWaalsContact C-N 3.32Å; L767-K769 PolarHBondContact O-N 3.16Å
768	T	94.9	Very high	92.5	Very high	75 Å²	75	80.2 Å²	80.2	46%	0.46	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.5	-175.6	66.6	0	0	0	0	113.9	N765 E770	N765-T768 WeakPolarHBondContact CB-OG1 3.37Å; N765-T768 PolarHBondContact ND2-OG1 3.37Å; N765-T768 PolarHBondContact OD1-N 3.15Å; T768-E770 VanDerWaalsContact CB-OE2 3.27Å; T768-E770 WeakPolarHBondContact CB-OE2 3.41Å; T768-E770 PolarHBondContact O-N 3.34Å; T768-E770 WeakPolarHBondContact OG1-CG 3.5Å; T768-E770 PolarHBondContact OG1-N 3.05Å; T768-E770 PolarHBondContact OG1-OE2 3.29Å
769	K	93.8	Very high	92.8	Very high	131 Å²	131	78 Å²	78	57%	0.57	40%	0.396	S	S	*	.			trans	65.9	10.3	-174.8	-46.6	-61	176.1	-167.5	0	114.6	Y764 N765 K766 L767	Y764-K769 HydrophobicContact CE2-CB 4.44Å; Y764-K769 WeakPolarHBondContact CE2-O 3.33Å; Y764-K769 VanDerWaalsContact OH-CD 3.23Å; Y764-K769 WeakPolarHBondContact OH-CD 3.37Å; N765-K769 VanDerWaalsContact O-CA 3.3Å; N765-K769 WeakPolarHBondContact O-CA 3.2Å; N765-K769 PolarHBondContact O-N 3.01Å; K766-K769 PolarHBondContact O-NZ 2.67Å; L767-K769 VanDerWaalsContact C-N 3.32Å; L767-K769 PolarHBondContact O-N 3.16Å
770	E	93.9	Very high	93	Very high	116 Å²	116	73.1 Å²	73.1	54%	0.542	37%	0.371	S	S	.	.			trans	-75.4	150.7	176.9	-65.3	166.8	134.2	0	0	112	Y764 N765 T768	Y764-E770 WeakPolarHBondContact CA-O 3.42Å; Y764-E770 WeakPolarHBondContact CD2-O 3.47Å; N765-E770 PolarHBondContact N-O 3.39Å; T768-E770 VanDerWaalsContact CB-OE2 3.27Å; T768-E770 WeakPolarHBondContact CB-OE2 3.41Å; T768-E770 PolarHBondContact O-N 3.34Å; T768-E770 WeakPolarHBondContact OG1-CG 3.5Å; T768-E770 PolarHBondContact OG1-N 3.05Å; T768-E770 PolarHBondContact OG1-OE2 3.29Å
771	S	93.8	Very high	93.2	Very high	75 Å²	75	67 Å²	67	52%	0.524	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.3	177.5	-62.3	0	0	0	0	110.7	F763 Y764	F763-S771 CarbonylContact O-C 3.52Å; F763-S771 VanDerWaalsContact O-CA 3.31Å; F763-S771 WeakPolarHBondContact O-CA 3.48Å; Y764-S771 WeakPolarHBondContact CD2-OG 3.31Å
772	T	94.8	Very high	93.3	Very high	44 Å²	44	64.9 Å²	64.9	27%	0.27	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.5	175.7	171.7	0	0	0	0	111.5	W750 F762 F763 D774 P776	W750-T772 HydrophobicContact CH2-CG2 4.27Å; W750-T772 HydrophobicContact CZ3-CG2 4.09Å; F762-T772 CarbonylContact C-O 3.59Å; F762-T772 WeakPolarHBondContact CA-O 3.37Å; F762-T772 WeakPolarHBondContact CB-O 3.47Å; F763-T772 HydrophobicContact CB-CG2 4.18Å; F763-T772 PolarHBondContact N-O 3.44Å; F763-T772 PolarHBondContact O-N 3.03Å; T772-D774 VanDerWaalsContact CG2-O 3.23Å; T772-D774 WeakPolarHBondContact CG2-O 3.23Å; T772-D774 PolarHBondContact OG1-N 3.26Å; T772-D774 PolarHBondContact OG1-O 3.1Å; T772-D774 VanDerWaalsContact OG1-O 3.1Å; T772-P776 HydrophobicContact CG2-CG 3.73Å
773	Y	93.3	Very high	93.3	Very high	124 Å²	124	63.4 Å²	63.4	49%	0.486	33%	0.33	S	S	.	.	S	Bend	trans	-82.3	-28.9	174.2	-69.6	-74.7	0	0	0	112.6	S758 K760 K761 F762	S758-Y773 PolarHBondContact OG-OH 3.02Å; K760-Y773 HydrophobicContact CB-CD1 4.15Å; K760-Y773 HydrophobicContact CB-CE1 3.8Å; K760-Y773 HydrophobicContact CD-CE1 4.47Å; K761-Y773 WeakPolarHBondContact O-CD1 3.5Å; F762-Y773 HydrophobicContact CB-CD1 3.84Å; F762-Y773 HydrophobicContact CB-CE1 3.88Å
774	D	92.3	Very high	93.2	Very high	131 Å²	131	70.5 Å²	70.5	70%	0.701	36%	0.357	S	S	*	.	S	Bend	trans	-85.9	141.7	175.4	-62.4	-56.5	0	0	0	110.9	T772 P776	T772-D774 VanDerWaalsContact CG2-O 3.23Å; T772-D774 WeakPolarHBondContact CG2-O 3.23Å; T772-D774 PolarHBondContact OG1-N 3.26Å; T772-D774 PolarHBondContact OG1-O 3.1Å; T772-D774 VanDerWaalsContact OG1-O 3.1Å; D774-P776 VanDerWaalsContact O-CD 3.25Å; D774-P776 WeakPolarHBondContact O-CD 3.36Å
775	M	89.1	Confident	93.2	Very high	75 Å²	75	67.8 Å²	67.8	37%	0.369	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-67.2	118.4	-177.5	-176.1	174.7	71.6	0	0	111.5	H667 F763 A779 A780	H667-M775 HydrophobicContact CB-CE 4.08Å; H667-M775 HydrophobicContact CB-SD 4.45Å; H667-M775 VanDerWaalsContact CD2-SD 3.58Å; F763-M775 HydrophobicContact CD2-CB 4.31Å; F763-M775 HydrophobicContact CE1-CB 4.45Å; F763-M775 HydrophobicContact CE1-CG 3.93Å; F763-M775 VanDerWaalsContact CE2-CA 3.49Å; F763-M775 HydrophobicContact CE2-CB 3.6Å; F763-M775 HydrophobicContact CE2-CG 4Å; F763-M775 HydrophobicContact CZ-CB 3.68Å; F763-M775 HydrophobicContact CZ-CG 3.56Å; F763-M775 HydrophobicContact CZ-SD 4.13Å; M775-A779 HydrophobicContact CG-CB 4.4Å; M775-A780 HydrophobicContact CE-CB 4.44Å
776	P	92.3	Very high	93.2	Very high	13 Å²	13	67.4 Å²	67.4	8%	0.084	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.9	141.8	173.1	-20.8	31.8	0	0	0	111.4	W750 F763 T772 D774 N778 A779	W750-P776 HydrophobicContact CD2-CB 4.29Å; W750-P776 HydrophobicContact CD2-CG 3.76Å; W750-P776 HydrophobicContact CE3-CG 3.8Å; W750-P776 HydrophobicContact CH2-CB 4.23Å; W750-P776 HydrophobicContact CH2-CG 3.54Å; W750-P776 HydrophobicContact CZ2-CB 3.67Å; W750-P776 HydrophobicContact CZ2-CG 3.47Å; W750-P776 VanDerWaalsContact CZ2-CG 3.47Å; W750-P776 HydrophobicContact CZ3-CG 3.69Å; F763-P776 HydrophobicContact CB-CG 4.28Å; T772-P776 HydrophobicContact CG2-CG 3.73Å; D774-P776 VanDerWaalsContact O-CD 3.25Å; D774-P776 WeakPolarHBondContact O-CD 3.36Å; P776-N778 PolarHBondContact O-N 3.48Å; P776-N778 VanDerWaalsContact O-N 3.17Å; P776-A779 HydrophobicContact CB-CB 3.93Å; P776-A779 HydrophobicContact CG-CB 4.01Å; P776-A779 VanDerWaalsContact O-CB 3.31Å; P776-A779 WeakPolarHBondContact O-CB 3.22Å; P776-A779 PolarHBondContact O-N 3.37Å
777	P	87.6	Confident	93.3	Very high	127 Å²	127	64.9 Å²	64.9	83%	0.825	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-56.1	-35.4	179.7	-28.1	35.6	0	0	0	114.2
778	N	91.7	Very high	93.2	Very high	91 Å²	91	60.8 Å²	60.8	49%	0.487	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-85.6	-3	177.9	65.4	-23.4	0	0	0	114.4	N747 W750 P776	N747-N778 PolarHBondContact ND2-O 3.07Å; W750-N778 PolarHBondContact NE1-ND2 2.9Å; W750-N778 PolarHBondContact NE1-OD1 3.1Å; P776-N778 PolarHBondContact O-N 3.48Å; P776-N778 VanDerWaalsContact O-N 3.17Å
779	A	93.6	Very high	93.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-82.4	-14.7	172.9	0	0	0	0	0	112.7	V746 N747 W750 F763 M775 P776 A781	V746-A779 CarbonylContact C-O 3.55Å; V746-A779 VanDerWaalsContact CA-O 3.31Å; V746-A779 WeakPolarHBondContact CA-O 3.31Å; N747-A779 PolarHBondContact N-O 3.44Å; W750-A779 HydrophobicContact CB-CB 3.73Å; W750-A779 HydrophobicContact CD2-CB 4.26Å; W750-A779 HydrophobicContact CG-CB 3.6Å; F763-A779 HydrophobicContact CD1-CB 4.06Å; F763-A779 HydrophobicContact CE1-CB 4.3Å; M775-A779 HydrophobicContact CG-CB 4.4Å; P776-A779 HydrophobicContact CB-CB 3.93Å; P776-A779 HydrophobicContact CG-CB 4.01Å; P776-A779 VanDerWaalsContact O-CB 3.31Å; P776-A779 WeakPolarHBondContact O-CB 3.22Å; P776-A779 PolarHBondContact O-N 3.37Å; A779-A781 PolarHBondContact O-N 3.09Å
780	A	94.1	Very high	93.2	Very high	15 Å²	15	55.7 Å²	55.7	12%	0.124	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-70.8	123.6	176.4	0	0	0	0	0	111.4	H667 M775 P782	H667-A780 HydrophobicContact CB-CB 3.82Å; M775-A780 HydrophobicContact CE-CB 4.44Å; A780-P782 VanDerWaalsContact O-CD 3.27Å; A780-P782 WeakPolarHBondContact O-CD 3.5Å
781	A	94.3	Very high	93.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-76.1	117	173.7	0	0	0	0	0	111.5	R671 T745 N747 A779 V785 C786	R671-A781 PolarHBondContact NH1-O 3.22Å; T745-A781 WeakPolarHBondContact O-CB 3.34Å; T745-A781 PolarHBondContact O-N 3.3Å; N747-A781 HydrophobicContact CB-CB 4.46Å; A779-A781 PolarHBondContact O-N 3.09Å; A781-V785 HydrophobicContact CB-CB 4.27Å; A781-V785 HydrophobicContact CB-CG1 4.06Å; A781-C786 PolarHBondContact O-SG 3.12Å; A781-C786 VanDerWaalsContact O-SG 3.37Å
782	P	94.1	Very high	93.4	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.084	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-71.4	163.3	173.3	32.2	-36.8	0	0	0	110.5	R664 A780 R784 V785 C786	R664-P782 CarbonylContact O-C 3.58Å; R664-P782 WeakPolarHBondContact O-CA 3.39Å; A780-P782 VanDerWaalsContact O-CD 3.27Å; A780-P782 WeakPolarHBondContact O-CD 3.5Å; P782-R784 HydrophobicContact CB-CG 4.42Å; P782-R784 HydrophobicContact CG-CG 3.92Å; P782-R784 PolarHBondContact O-N 3.07Å; P782-R784 VanDerWaalsContact O-N 3.08Å; P782-V785 HydrophobicContact CG-CB 4.43Å; P782-V785 HydrophobicContact CG-CG2 3.98Å; P782-V785 PolarHBondContact O-N 3.45Å; P782-C786 PolarHBondContact O-N 3.07Å; P782-C786 VanDerWaalsContact O-N 3.11Å
783	F	94.3	Very high	93.5	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-45.5	-45	-179.6	166.4	-98.5	0	0	0	112.8	F561 F593 L656 R664 V785 C786 H787	F561-F783 HydrophobicContact CD1-CE1 4.26Å; F561-F783 HydrophobicContact CE1-CE1 4.19Å; F561-F783 HydrophobicContact CZ-CE1 4.5Å; F593-F783 HydrophobicContact CE1-CE2 4.33Å; F593-F783 AromaticContact CE1-CZ 3.71Å; F593-F783 HydrophobicContact CE1-CZ 3.71Å; F593-F783 AromaticContact CZ-CZ 3.99Å; F593-F783 HydrophobicContact CZ-CZ 3.99Å; L656-F783 HydrophobicContact CD1-CD2 4.13Å; L656-F783 HydrophobicContact CD1-CE2 3.98Å; L656-F783 HydrophobicContact CD1-CZ 4.48Å; L656-F783 HydrophobicContact CD2-CD1 3.89Å; L656-F783 HydrophobicContact CD2-CD2 4.22Å; L656-F783 HydrophobicContact CD2-CE1 3.68Å; L656-F783 HydrophobicContact CD2-CE2 4.02Å; L656-F783 HydrophobicContact CD2-CG 4.18Å; L656-F783 HydrophobicContact CD2-CZ 3.77Å; L656-F783 HydrophobicContact CG-CD1 4.27Å; L656-F783 HydrophobicContact CG-CD2 3.93Å; L656-F783 HydrophobicContact CG-CE1 4.41Å; L656-F783 HydrophobicContact CG-CE2 4.07Å; L656-F783 HydrophobicContact CG-CG 4.06Å; L656-F783 HydrophobicContact CG-CZ 4.33Å; R664-F783 HydrophobicContact CB-CB 4.03Å; R664-F783 HydrophobicContact CG-CB 4.19Å; R664-F783 PolarHBondContact O-N 3.48Å; F783-V785 VanDerWaalsContact C-N 3.27Å; F783-V785 PolarHBondContact O-N 2.9Å; F783-C786 PolarHBondContact O-N 3.01Å; F783-H787 HydrophobicContact CD2-CB 4.41Å; F783-H787 HydrophobicContact CE1-CB 4.22Å; F783-H787 HydrophobicContact CE2-CB 3.81Å; F783-H787 HydrophobicContact CZ-CB 3.67Å; F783-H787 AromaticContact CZ-CG 3.73Å; F783-H787 VanDerWaalsContact O-CB 3.3Å; F783-H787 WeakPolarHBondContact O-CB 3.4Å; F783-H787 PolarHBondContact O-N 3.44Å
784	R	93.1	Very high	93.7	Very high	165 Å²	165	42.4 Å²	42.4	62%	0.623	23%	0.226	S	C	*	.	H	α-helix	trans	-57.1	-36.6	-179.9	66.4	178.5	-177.4	179.6	-1.5	113.4	A560 P782 S788	A560-R784 HydrophobicContact CB-CB 4.16Å; P782-R784 HydrophobicContact CB-CG 4.42Å; P782-R784 HydrophobicContact CG-CG 3.92Å; P782-R784 PolarHBondContact O-N 3.07Å; P782-R784 VanDerWaalsContact O-N 3.08Å; R784-S788 WeakPolarHBondContact O-CB 3.44Å; R784-S788 PolarHBondContact O-N 2.99Å; R784-S788 PolarHBondContact O-OG 2.73Å
785	V	93.8	Very high	93.7	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.097	20%	0.197	C	C	.	.	H	α-helix	trans	-78.9	-46.2	178.7	173.1	0	0	0	0	110.1	K744 A781 P782 F783 H787 S788 E789	K744-V785 HydrophobicContact CD-CG1 4.47Å; A781-V785 HydrophobicContact CB-CB 4.27Å; A781-V785 HydrophobicContact CB-CG1 4.06Å; P782-V785 HydrophobicContact CG-CB 4.43Å; P782-V785 HydrophobicContact CG-CG2 3.98Å; P782-V785 PolarHBondContact O-N 3.45Å; F783-V785 VanDerWaalsContact C-N 3.27Å; F783-V785 PolarHBondContact O-N 2.9Å; V785-H787 PolarHBondContact O-N 3.48Å; V785-S788 PolarHBondContact O-N 3.21Å; V785-E789 PolarHBondContact O-N 2.71Å
786	C	95.2	Very high	93.9	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-56.7	-39.4	175.9	-61.7	0	0	0	0	111.8	F668 R671 I743 K744 A781 P782 F783 R790	F668-C786 HydrophobicContact CD2-CB 4.43Å; R671-C786 PolarHBondContact NH2-SG 3.27Å; I743-C786 HydrophobicContact CG2-CB 3.81Å; K744-C786 PolarHBondContact O-SG 3.18Å; A781-C786 PolarHBondContact O-SG 3.12Å; A781-C786 VanDerWaalsContact O-SG 3.37Å; P782-C786 PolarHBondContact O-N 3.07Å; P782-C786 VanDerWaalsContact O-N 3.11Å; F783-C786 PolarHBondContact O-N 3.01Å; C786-R790 WeakPolarHBondContact O-CB 3.26Å
787	H	94.2	Very high	93.7	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.028	23%	0.226	C	C	.	.	H	α-helix	trans	-79.5	-44	177.8	-170	72	0	0	0	112	A560 F561 Q591 F593 F783 V785 R790	A560-H787 PolarHBondContact O-CD2 3.21Å; F561-H787 PolarHBondContact O-NE2 2.8Å; Q591-H787 PolarHBondContact NE2-ND1 3.4Å; F593-H787 AromaticContact CZ-CE1 3.64Å; F593-H787 AromaticContact CZ-NE2 3.71Å; F783-H787 HydrophobicContact CD2-CB 4.41Å; F783-H787 HydrophobicContact CE1-CB 4.22Å; F783-H787 HydrophobicContact CE2-CB 3.81Å; F783-H787 HydrophobicContact CZ-CB 3.67Å; F783-H787 AromaticContact CZ-CG 3.73Å; F783-H787 VanDerWaalsContact O-CB 3.3Å; F783-H787 WeakPolarHBondContact O-CB 3.4Å; F783-H787 PolarHBondContact O-N 3.44Å; V785-H787 PolarHBondContact O-N 3.48Å; H787-R790 PolarHBondContact CE1-NH2 2.69Å; H787-R790 VanDerWaalsContact CE1-NH2 3.3Å; H787-R790 VanDerWaalsContact O-CD 3.22Å; H787-R790 WeakPolarHBondContact O-CD 3.25Å; H787-R790 VanDerWaalsContact O-CG 3.26Å; H787-R790 WeakPolarHBondContact O-CG 3.42Å; H787-R790 PolarHBondContact O-NH1 3.44Å
788	S	92.9	Very high	93.8	Very high	49 Å²	49	37 Å²	37	34%	0.343	19%	0.189	S	C	.	.	H	α-helix	trans	-69.4	-40.2	-175.2	70.8	0	0	0	0	113.5	S563 R784 V785	S563-S788 WeakPolarHBondContact OG-CA 3.46Å; S563-S788 PolarHBondContact OG-O 2.86Å; R784-S788 WeakPolarHBondContact O-CB 3.44Å; R784-S788 PolarHBondContact O-N 2.99Å; R784-S788 PolarHBondContact O-OG 2.73Å; V785-S788 PolarHBondContact O-N 3.21Å
789	E	93.6	Very high	93.8	Very high	77 Å²	77	33 Å²	33	36%	0.36	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	7	-176.3	-64.2	-171.2	-133.1	0	0	113.7	K744 V785	K744-E789 HydrophobicContact CB-CB 4.47Å; K744-E789 HydrophobicContact CD-CB 4.38Å; K744-E789 WeakPolarHBondContact CD-OE2 3.34Å; K744-E789 WeakPolarHBondContact CE-OE2 3.44Å; K744-E789 IonicContact NZ-OE1 2.74Å; K744-E789 PolarHBondContact NZ-OE1 2.7Å; K744-E789 IonicContact NZ-OE2 3.15Å; K744-E789 PolarHBondContact NZ-OE2 2.95Å; V785-E789 PolarHBondContact O-N 2.71Å
790	R	94.6	Very high	93.8	Very high	22 Å²	22	35.2 Å²	35.2	8%	0.083	18%	0.179	C	C	.	.			trans	-66.2	138.5	-177.6	75.5	-161.1	-173.6	-64	4.4	113	S563 I565 T566 Q591 I742 C786 H787	S563-R790 PolarHBondContact O-NH1 2.96Å; S563-R790 PolarHBondContact O-NH2 3.5Å; S563-R790 VanDerWaalsContact O-NH2 3.15Å; I565-R790 HydrophobicContact CD1-CG 3.87Å; I565-R790 HydrophobicContact CG1-CG 3.91Å; T566-R790 PolarHBondContact N-O 2.85Å; Q591-R790 VanDerWaalsContact OE1-NH2 3.09Å; I742-R790 WeakPolarHBondContact O-CA 3.5Å; C786-R790 WeakPolarHBondContact O-CB 3.26Å; H787-R790 PolarHBondContact CE1-NH2 2.69Å; H787-R790 VanDerWaalsContact CE1-NH2 3.3Å; H787-R790 VanDerWaalsContact O-CD 3.22Å; H787-R790 WeakPolarHBondContact O-CD 3.25Å; H787-R790 VanDerWaalsContact O-CG 3.26Å; H787-R790 WeakPolarHBondContact O-CG 3.42Å; H787-R790 PolarHBondContact O-NH1 3.44Å
791	L	96.8	Very high	93.8	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	151.4	173.9	-67.4	137.7	0	0	0	110.3	T566 L568 L576 Y741 I742	T566-L791 HydrophobicContact CG2-CD2 3.52Å; T566-L791 CarbonylContact O-C 3.49Å; T566-L791 WeakPolarHBondContact O-CA 3.36Å; L568-L791 HydrophobicContact CB-CB 4.37Å; L568-L791 HydrophobicContact CD1-CB 4.43Å; L568-L791 HydrophobicContact CD1-CD2 4.06Å; L576-L791 HydrophobicContact CD2-CD1 3.53Å; L576-L791 HydrophobicContact CG-CD1 4.03Å; Y741-L791 CarbonylContact C-O 3.54Å; Y741-L791 WeakPolarHBondContact CA-O 3.36Å; I742-L791 HydrophobicContact CB-CB 4.2Å; I742-L791 HydrophobicContact CG1-CB 4.46Å; I742-L791 PolarHBondContact N-O 3.47Å; I742-L791 PolarHBondContact O-N 3.27Å
792	F	96.9	Very high	93.8	Very high	38 Å²	38	36.4 Å²	36.4	17%	0.167	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.1	174.3	-174.5	-108.6	0	0	0	112.2	I565 T566 L568 Y741 A794	I565-F792 HydrophobicContact CD1-CB 3.56Å; I565-F792 HydrophobicContact CD1-CG 4.32Å; I565-F792 HydrophobicContact CG1-CB 3.72Å; T566-F792 PolarHBondContact O-N 2.83Å; L568-F792 PolarHBondContact N-O 2.9Å; Y741-F792 AromaticContact CD1-CD2 3.82Å; Y741-F792 HydrophobicContact CD1-CD2 3.82Å; Y741-F792 AromaticContact CD2-CD2 3.89Å; Y741-F792 HydrophobicContact CD2-CD2 3.89Å; Y741-F792 AromaticContact CD2-CE2 3.89Å; Y741-F792 HydrophobicContact CD2-CE2 3.89Å; Y741-F792 AromaticContact CE1-CD2 3.86Å; Y741-F792 HydrophobicContact CE1-CD2 3.86Å; Y741-F792 HydrophobicContact CE1-CE2 4.33Å; Y741-F792 AromaticContact CE2-CD2 3.94Å; Y741-F792 HydrophobicContact CE2-CD2 3.94Å; Y741-F792 AromaticContact CE2-CE2 3.67Å; Y741-F792 HydrophobicContact CE2-CE2 3.67Å; Y741-F792 AromaticContact CG-CD2 3.84Å; Y741-F792 HydrophobicContact CG-CD2 3.84Å; Y741-F792 HydrophobicContact CG-CE2 4.32Å; Y741-F792 AromaticContact CZ-CD2 3.93Å; Y741-F792 AromaticContact CZ-CE2 3.91Å; F792-A794 HydrophobicContact CD1-CB 3.94Å; F792-A794 HydrophobicContact CE1-CB 3.64Å
793	W	96.9	Very high	93.6	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	97.7	174.2	-177	37.4	0	0	0	109.3	L568 M704 F708 G739 L740 W795 V799 V801 L813 K815 F818	L568-W793 HydrophobicContact CB-CB 3.91Å; L568-W793 HydrophobicContact CD2-CB 3.88Å; L568-W793 HydrophobicContact CD2-CG 4.24Å; L568-W793 HydrophobicContact CG-CB 4.45Å; M704-W793 HydrophobicContact CE-CE3 4.25Å; M704-W793 HydrophobicContact CE-CH2 4.43Å; M704-W793 HydrophobicContact CE-CZ3 3.65Å; F708-W793 AromaticContact CE1-CH2 3.96Å; F708-W793 HydrophobicContact CE1-CH2 3.96Å; F708-W793 AromaticContact CE1-CZ3 3.93Å; F708-W793 HydrophobicContact CE1-CZ3 3.93Å; F708-W793 AromaticContact CZ-CH2 3.79Å; F708-W793 HydrophobicContact CZ-CH2 3.79Å; F708-W793 AromaticContact CZ-CZ3 3.7Å; F708-W793 HydrophobicContact CZ-CZ3 3.7Å; G739-W793 CarbonylContact C-O 3.48Å; G739-W793 WeakPolarHBondContact CA-O 3.36Å; L740-W793 HydrophobicContact CB-CB 4.36Å; L740-W793 HydrophobicContact CB-CE3 3.92Å; L740-W793 HydrophobicContact CD2-CE3 4.01Å; L740-W793 HydrophobicContact CD2-CZ3 4.35Å; L740-W793 PolarHBondContact N-O 3.21Å; L740-W793 PolarHBondContact O-N 3.33Å; W793-W795 AromaticContact CD2-CD1 3.99Å; W793-W795 AromaticContact CD2-NE1 3.49Å; W793-W795 AromaticContact CE2-NE1 3.89Å; W793-W795 HydrophobicContact CE3-CZ2 4.43Å; W793-W795 AromaticContact CE3-NE1 3.18Å; W793-W795 AromaticContact CH2-NE1 3.73Å; W793-W795 AromaticContact CZ3-CE2 3.99Å; W793-W795 HydrophobicContact CZ3-CZ2 4.1Å; W793-W795 AromaticContact CZ3-NE1 3.3Å; W793-W795 VanDerWaalsContact CZ3-NE1 3.3Å; W793-V799 HydrophobicContact CZ2-CG1 4.14Å; W793-V801 HydrophobicContact CH2-CG1 3.54Å; W793-V801 HydrophobicContact CZ2-CG1 3.78Å; W793-V801 HydrophobicContact CZ3-CG1 4.32Å; W793-L813 PolarHBondContact NE1-O 3.16Å; W793-K815 HydrophobicContact CH2-CB 4.15Å; W793-F818 AromaticContact CD2-CD1 3.94Å; W793-F818 HydrophobicContact CD2-CD1 3.94Å; W793-F818 HydrophobicContact CD2-CE1 4.22Å; W793-F818 AromaticContact CE3-CD1 3.75Å; W793-F818 HydrophobicContact CE3-CD1 3.75Å; W793-F818 AromaticContact CE3-CE1 3.9Å; W793-F818 HydrophobicContact CE3-CE1 3.9Å; W793-F818 HydrophobicContact CH2-CD1 4.21Å; W793-F818 HydrophobicContact CZ2-CD1 4.37Å; W793-F818 AromaticContact CZ3-CD1 3.91Å; W793-F818 HydrophobicContact CZ3-CD1 3.91Å; W793-F818 HydrophobicContact CZ3-CE1 4.38Å
794	A	95.6	Very high	93.3	Very high	35 Å²	35	45.5 Å²	45.5	29%	0.289	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.5	-175.9	0	0	0	0	0	111.7	F792 V796	F792-A794 HydrophobicContact CD1-CB 3.94Å; F792-A794 HydrophobicContact CE1-CB 3.64Å; A794-V796 VanDerWaalsContact C-N 3.3Å; A794-V796 HydrophobicContact CB-CG1 4.1Å; A794-V796 PolarHBondContact O-N 3.42Å; A794-V796 VanDerWaalsContact O-N 3.14Å
795	W	94.3	Very high	93.1	Very high	25 Å²	25	40 Å²	40	10%	0.095	22%	0.217	C	C	.	.			trans	-91.8	65	178.6	-62.9	-11.1	0	0	0	110.8	V586 I707 F708 L711 L725 P737 T738 L740 W793 V801	V586-W795 HydrophobicContact CG1-CH2 4.46Å; V586-W795 HydrophobicContact CG1-CZ3 4.41Å; I707-W795 HydrophobicContact CG2-CH2 4.16Å; F708-W795 HydrophobicContact CE1-CZ2 4.12Å; L711-W795 HydrophobicContact CD1-CH2 3.88Å; L711-W795 HydrophobicContact CD1-CZ3 3.83Å; L711-W795 HydrophobicContact CD2-CH2 4.17Å; L711-W795 HydrophobicContact CD2-CZ3 3.72Å; L711-W795 HydrophobicContact CG-CZ3 4.42Å; L725-W795 HydrophobicContact CD2-CE3 4Å; L725-W795 HydrophobicContact CD2-CZ3 4.47Å; P737-W795 HydrophobicContact CB-CE3 3.86Å; P737-W795 HydrophobicContact CB-CZ3 3.64Å; P737-W795 HydrophobicContact CG-CE3 3.85Å; P737-W795 HydrophobicContact CG-CZ3 3.69Å; T738-W795 PolarHBondContact O-N 3.47Å; L740-W795 HydrophobicContact CB-CZ2 4.17Å; W793-W795 AromaticContact CD2-CD1 3.99Å; W793-W795 AromaticContact CD2-NE1 3.49Å; W793-W795 AromaticContact CE2-NE1 3.89Å; W793-W795 HydrophobicContact CE3-CZ2 4.43Å; W793-W795 AromaticContact CE3-NE1 3.18Å; W793-W795 AromaticContact CH2-NE1 3.73Å; W793-W795 AromaticContact CZ3-CE2 3.99Å; W793-W795 HydrophobicContact CZ3-CZ2 4.1Å; W793-W795 AromaticContact CZ3-NE1 3.3Å; W793-W795 VanDerWaalsContact CZ3-NE1 3.3Å; W795-V801 HydrophobicContact CD2-CG1 4.13Å; W795-V801 HydrophobicContact CD2-CG2 4.08Å; W795-V801 HydrophobicContact CE3-CG2 4.18Å; W795-V801 HydrophobicContact CG-CG1 4.07Å; W795-V801 HydrophobicContact CG-CG2 4.35Å
796	V	91.4	Very high	92.6	Very high	74 Å²	74	45.6 Å²	45.6	45%	0.448	25%	0.252	S	S	.	.			trans	-85.7	169.9	177.9	-62.7	0	0	0	0	111.9	A794 G798 V799 K812	A794-V796 VanDerWaalsContact C-N 3.3Å; A794-V796 HydrophobicContact CB-CG1 4.1Å; A794-V796 PolarHBondContact O-N 3.42Å; A794-V796 VanDerWaalsContact O-N 3.14Å; V796-G798 PolarHBondContact O-N 3.04Å; V796-V799 HydrophobicContact CG2-CG2 4.03Å; V796-V799 WeakPolarHBondContact O-CB 3.3Å; V796-V799 PolarHBondContact O-N 2.96Å; V796-K812 HydrophobicContact CG2-CD 3.94Å
797	E	88.1	Confident	92.1	Very high	128 Å²	128	53.2 Å²	53.2	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	133.2	173.8	-173.4	171.7	-145.5	0	0	111.7	R807 K812	E797-R807 WeakPolarHBondContact OE1-CD 3.45Å; E797-R807 IonicContact OE1-CZ 2.7Å; E797-R807 IonicContact OE1-NE 3.63Å; E797-R807 IonicContact OE1-NH1 2.92Å; E797-R807 PolarHBondContact OE1-NH1 3Å; E797-R807 IonicContact OE2-CZ 2.85Å; E797-R807 IonicContact OE2-NH1 3.29Å; E797-R807 PolarHBondContact OE2-NH1 3.28Å; E797-K812 PolarHBondContact O-NZ 3.06Å
798	G	89.8	Confident	91.8	Very high	6 Å²	6	56.9 Å²	56.9	6%	0.062	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	97.7	-15.3	-171.6	0	0	0	0	0	114.6	V796 R807 T808 D809	V796-G798 PolarHBondContact O-N 3.04Å; G798-R807 WeakPolarHBondContact CA-O 3.31Å; G798-T808 CarbonylContact O-C 3.47Å; G798-T808 WeakPolarHBondContact O-CA 3.38Å; G798-D809 PolarHBondContact O-N 3.06Å
799	V	92.8	Very high	91.6	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.03	30%	0.299	C	S	.	.			trans	-92.4	122.2	174.8	-176.1	0	0	0	0	110.1	W793 V796 V801 Q805 K812 L813	W793-V799 HydrophobicContact CZ2-CG1 4.14Å; V796-V799 HydrophobicContact CG2-CG2 4.03Å; V796-V799 WeakPolarHBondContact O-CB 3.3Å; V796-V799 PolarHBondContact O-N 2.96Å; V799-V801 HydrophobicContact CG1-CG1 3.99Å; V799-Q805 PolarHBondContact O-NE2 3.23Å; V799-K812 HydrophobicContact CG2-CB 3.9Å; V799-K812 HydrophobicContact CG2-CD 3.96Å; V799-L813 WeakPolarHBondContact CG1-O 3.27Å
800	I	93.7	Very high	91.1	Very high	47 Å²	47	58.7 Å²	58.7	24%	0.241	32%	0.318	C	S	.	.			trans	-94.5	118.7	175.1	-62.7	179	0	0	0	109.9	Q805 S814 K815	I800-Q805 WeakPolarHBondContact CD1-O 3.27Å; I800-Q805 HydrophobicContact CG1-CB 4.25Å; I800-Q805 HydrophobicContact CG2-CB 4.4Å; I800-S814 PolarHBondContact N-OG 3.37Å; I800-S814 VanDerWaalsContact N-OG 3.15Å; I800-K815 VanDerWaalsContact O-CB 3.26Å; I800-K815 WeakPolarHBondContact O-CB 3.45Å; I800-K815 PolarHBondContact O-N 3.04Å
801	V	93.9	Very high	90.6	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.006	35%	0.352	C	S	.	.			trans	-126.7	-19	173.6	-61.1	0	0	0	0	114.2	F708 L711 L725 W793 W795 V799 Q805 K815	F708-V801 HydrophobicContact CD1-CB 4.23Å; F708-V801 HydrophobicContact CE1-CB 3.99Å; F708-V801 HydrophobicContact CE1-CG1 4.21Å; L711-V801 HydrophobicContact CD1-CB 4.38Å; L711-V801 HydrophobicContact CD1-CG2 4.06Å; L725-V801 HydrophobicContact CD2-CG2 3.59Å; W793-V801 HydrophobicContact CH2-CG1 3.54Å; W793-V801 HydrophobicContact CZ2-CG1 3.78Å; W793-V801 HydrophobicContact CZ3-CG1 4.32Å; W795-V801 HydrophobicContact CD2-CG1 4.13Å; W795-V801 HydrophobicContact CD2-CG2 4.08Å; W795-V801 HydrophobicContact CE3-CG2 4.18Å; W795-V801 HydrophobicContact CG-CG1 4.07Å; W795-V801 HydrophobicContact CG-CG2 4.35Å; V799-V801 HydrophobicContact CG1-CG1 3.99Å; V801-Q805 VanDerWaalsContact CG2-OE1 3.3Å; V801-K815 HydrophobicContact CG1-CB 4.38Å; V801-K815 WeakPolarHBondContact O-CD 3.23Å; V801-K815 PolarHBondContact O-NZ 2.89Å
802	H	93.4	Very high	90.3	Very high	39 Å²	39	68.9 Å²	68.9	18%	0.181	37%	0.365	C	S	.	.	S	Bend	trans	-129.9	143.6	176.2	-176.2	-90.6	0	0	0	110.1	L711 L725 S804 Q805	L711-H802 PolarHBondContact O-CD2 2.98Å; L711-H802 VanDerWaalsContact O-CD2 3.27Å; L711-H802 PolarHBondContact O-NE2 3.17Å; L725-H802 HydrophobicContact CD1-CB 3.63Å; H802-S804 PolarHBondContact CE1-OG 3.24Å; H802-S804 PolarHBondContact ND1-N 2.84Å; H802-S804 PolarHBondContact ND1-OG 3.31Å; H802-S804 PolarHBondContact O-N 3.5Å; H802-Q805 WeakPolarHBondContact O-CB 3.48Å; H802-Q805 PolarHBondContact O-N 3.26Å
803	D	89.5	Confident	90.2	Very high	139 Å²	139	67.3 Å²	67.3	74%	0.743	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-17	-165.3	-54.2	-14.9	0	0	0	113.4	Q805 K815	D803-Q805 VanDerWaalsContact C-N 3.28Å; D803-Q805 PolarHBondContact O-N 3.29Å; D803-K815 IonicContact OD1-NZ 3.39Å
804	S	88.3	Confident	90.1	Very high	73 Å²	73	67.7 Å²	67.7	51%	0.51	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.3	170.8	-43.5	0	0	0	0	114.9	H802	H802-S804 PolarHBondContact CE1-OG 3.24Å; H802-S804 PolarHBondContact ND1-N 2.84Å; H802-S804 PolarHBondContact ND1-OG 3.31Å; H802-S804 PolarHBondContact O-N 3.5Å
805	Q	88.8	Confident	90	Very high	49 Å²	49	68.1 Å²	68.1	23%	0.229	36%	0.357	C	S	.	.			trans	-89.5	116.3	178.1	-63.2	175	-70.8	0	0	110.2	V799 I800 V801 H802 D803	V799-Q805 PolarHBondContact O-NE2 3.23Å; I800-Q805 WeakPolarHBondContact CD1-O 3.27Å; I800-Q805 HydrophobicContact CG1-CB 4.25Å; I800-Q805 HydrophobicContact CG2-CB 4.4Å; V801-Q805 VanDerWaalsContact CG2-OE1 3.3Å; H802-Q805 WeakPolarHBondContact O-CB 3.48Å; H802-Q805 PolarHBondContact O-N 3.26Å; D803-Q805 VanDerWaalsContact C-N 3.28Å; D803-Q805 PolarHBondContact O-N 3.29Å
806	T	84.5	Confident	89.9	Confident	133 Å²	133	75 Å²	75	82%	0.816	39%	0.387	S	S	*	.			trans	-104.6	-22.9	-174.9	54.2	0	0	0	0	114.3	T808	T806-T808 PolarHBondContact O-N 3.28Å
807	R	84.9	Confident	90	Very high	163 Å²	163	75.8 Å²	75.8	62%	0.615	39%	0.386	S	S	*	.			trans	-82.6	106.9	178.7	-173.6	177.6	-178.9	174.8	2.7	110	E797 G798	E797-R807 WeakPolarHBondContact OE1-CD 3.45Å; E797-R807 IonicContact OE1-CZ 2.7Å; E797-R807 IonicContact OE1-NE 3.63Å; E797-R807 IonicContact OE1-NH1 2.92Å; E797-R807 PolarHBondContact OE1-NH1 3Å; E797-R807 IonicContact OE2-CZ 2.85Å; E797-R807 IonicContact OE2-NH1 3.29Å; E797-R807 PolarHBondContact OE2-NH1 3.28Å; G798-R807 WeakPolarHBondContact CA-O 3.31Å
808	T	87.8	Confident	90.3	Very high	83 Å²	83	69.7 Å²	69.7	51%	0.509	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-102.4	149.9	174.8	-162.8	0	0	0	0	111.6	G798 T806	G798-T808 CarbonylContact O-C 3.47Å; G798-T808 WeakPolarHBondContact O-CA 3.38Å; T806-T808 PolarHBondContact O-N 3.28Å
809	D	88.8	Confident	90.5	Very high	48 Å²	48	70.3 Å²	70.3	26%	0.257	36%	0.359	S	S	.	.			trans	-122.6	111.3	170.9	-178.2	-16.2	0	0	0	108	G798 E811 K812	G798-D809 PolarHBondContact O-N 3.06Å; D809-E811 PolarHBondContact O-N 2.96Å; D809-E811 VanDerWaalsContact O-N 3.09Å; D809-E811 PolarHBondContact OD1-N 2.95Å; D809-K812 HydrophobicContact CB-CB 4.3Å; D809-K812 HydrophobicContact CB-CD 3.99Å; D809-K812 HydrophobicContact CB-CG 4.05Å; D809-K812 PolarHBondContact O-N 3.26Å; D809-K812 WeakPolarHBondContact OD2-CE 3.37Å; D809-K812 IonicContact OD2-NZ 2.95Å; D809-K812 PolarHBondContact OD2-NZ 3.15Å
810	P	82.5	Confident	90.6	Very high	116 Å²	116	73.1 Å²	73.1	75%	0.753	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.4	-174.8	-24.5	34.7	0	0	0	115.3	K812	P810-K812 VanDerWaalsContact C-N 3.31Å
811	E	85.1	Confident	90.6	Very high	172 Å²	172	71.9 Å²	71.9	80%	0.804	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-8.4	175.4	-60.3	-164.6	166.3	0	0	112.9	D809	D809-E811 PolarHBondContact O-N 2.96Å; D809-E811 VanDerWaalsContact O-N 3.09Å; D809-E811 PolarHBondContact OD1-N 2.95Å
812	K	90.1	Very high	90.5	Very high	69 Å²	69	72 Å²	72	30%	0.3	37%	0.37	S	S	.	.	S	Bend	trans	-111.3	125.1	-175.1	-60.9	-174.4	-179.1	128.3	0	112.6	V796 E797 V799 D809 P810 S814	V796-K812 HydrophobicContact CG2-CD 3.94Å; E797-K812 PolarHBondContact O-NZ 3.06Å; V799-K812 HydrophobicContact CG2-CB 3.9Å; V799-K812 HydrophobicContact CG2-CD 3.96Å; D809-K812 HydrophobicContact CB-CB 4.3Å; D809-K812 HydrophobicContact CB-CD 3.99Å; D809-K812 HydrophobicContact CB-CG 4.05Å; D809-K812 PolarHBondContact O-N 3.26Å; D809-K812 WeakPolarHBondContact OD2-CE 3.37Å; D809-K812 IonicContact OD2-NZ 2.95Å; D809-K812 PolarHBondContact OD2-NZ 3.15Å; P810-K812 VanDerWaalsContact C-N 3.31Å; K812-S814 PolarHBondContact O-N 2.83Å; K812-S814 VanDerWaalsContact O-N 3.13Å
813	L	93.6	Very high	90.4	Very high	5 Å²	5	75 Å²	75	3%	0.026	38%	0.384	C	S	.	.			trans	-55.7	113.3	177.7	-178.5	67.2	0	0	0	111.8	L568 L573 W793 V799 E817 F818	L568-L813 HydrophobicContact CD2-CD2 4.09Å; L568-L813 HydrophobicContact CG-CD2 4.03Å; L573-L813 HydrophobicContact CD1-CD2 4.15Å; L573-L813 HydrophobicContact CD2-CD1 3.94Å; W793-L813 PolarHBondContact NE1-O 3.16Å; V799-L813 WeakPolarHBondContact CG1-O 3.27Å; L813-E817 WeakPolarHBondContact CA-OE2 3.32Å; L813-E817 HydrophobicContact CD1-CB 3.87Å; L813-F818 HydrophobicContact CD1-CB 4.2Å; L813-F818 HydrophobicContact CD2-CB 4.23Å; L813-F818 HydrophobicContact CD2-CD1 4.35Å; L813-F818 HydrophobicContact CD2-CG 4.17Å; L813-F818 HydrophobicContact CG-CB 4.21Å
814	S	94.6	Very high	90.4	Very high	11 Å²	11	74.2 Å²	74.2	8%	0.077	38%	0.376	C	S	.	.			trans	-101.6	161.8	177.7	-73	0	0	0	0	112.6	I800 K812 K816 E817 F818	I800-S814 PolarHBondContact N-OG 3.37Å; I800-S814 VanDerWaalsContact N-OG 3.15Å; K812-S814 PolarHBondContact O-N 2.83Å; K812-S814 VanDerWaalsContact O-N 3.13Å; S814-K816 VanDerWaalsContact C-N 3.29Å; S814-K816 PolarHBondContact O-N 3.4Å; S814-K816 VanDerWaalsContact O-N 3.15Å; S814-E817 PolarHBondContact N-OE2 3.24Å; S814-E817 PolarHBondContact O-N 2.57Å; S814-F818 PolarHBondContact O-N 3.48Å; S814-F818 VanDerWaalsContact O-N 3.12Å
815	K	94.4	Very high	90.3	Very high	45 Å²	45	72.6 Å²	72.6	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-48.3	-46.2	-175.3	163	-178.1	170.9	-167.1	0	113.3	F708 W793 I800 V801 D803 E817 F818 L819	F708-K815 HydrophobicContact CB-CD 4.38Å; F708-K815 HydrophobicContact CD1-CD 3.83Å; F708-K815 HydrophobicContact CD1-CG 4.45Å; F708-K815 HydrophobicContact CD2-CD 3.83Å; F708-K815 HydrophobicContact CD2-CG 4.13Å; F708-K815 HydrophobicContact CE1-CB 4.29Å; F708-K815 HydrophobicContact CE1-CD 3.98Å; F708-K815 HydrophobicContact CE1-CG 4.12Å; F708-K815 HydrophobicContact CE2-CD 3.99Å; F708-K815 HydrophobicContact CE2-CG 3.78Å; F708-K815 HydrophobicContact CG-CD 3.76Å; F708-K815 HydrophobicContact CG-CG 4.46Å; F708-K815 HydrophobicContact CZ-CB 4.12Å; F708-K815 HydrophobicContact CZ-CD 4.04Å; F708-K815 HydrophobicContact CZ-CG 3.76Å; W793-K815 HydrophobicContact CH2-CB 4.15Å; I800-K815 VanDerWaalsContact O-CB 3.26Å; I800-K815 WeakPolarHBondContact O-CB 3.45Å; I800-K815 PolarHBondContact O-N 3.04Å; V801-K815 HydrophobicContact CG1-CB 4.38Å; V801-K815 WeakPolarHBondContact O-CD 3.23Å; V801-K815 PolarHBondContact O-NZ 2.89Å; D803-K815 IonicContact OD1-NZ 3.39Å; K815-E817 VanDerWaalsContact C-N 3.31Å; K815-E817 PolarHBondContact O-N 3.18Å; K815-F818 PolarHBondContact O-N 3.08Å; K815-L819 HydrophobicContact CD-CD1 4.46Å; K815-L819 HydrophobicContact CG-CD1 3.69Å; K815-L819 HydrophobicContact CG-CG 4.29Å; K815-L819 WeakPolarHBondContact O-CB 3.47Å; K815-L819 VanDerWaalsContact O-CG 3.32Å; K815-L819 WeakPolarHBondContact O-CG 3.19Å; K815-L819 PolarHBondContact O-N 2.91Å
816	K	92.9	Very high	89.8	Confident	169 Å²	169	73.7 Å²	73.7	74%	0.735	37%	0.365	S	S	*	.	H	α-helix	trans	-60.4	-41.3	-177.6	-175.6	178.4	178.1	-178.5	0	112.1	S814 T820	S814-K816 VanDerWaalsContact C-N 3.29Å; S814-K816 PolarHBondContact O-N 3.4Å; S814-K816 VanDerWaalsContact O-N 3.15Å; K816-T820 WeakPolarHBondContact O-CB 2.9Å; K816-T820 PolarHBondContact O-N 2.94Å; K816-T820 PolarHBondContact O-OG1 3.38Å
817	E	93	Very high	88.6	Confident	91 Å²	91	72.8 Å²	72.8	43%	0.425	35%	0.352	S	S	.	.	H	α-helix	trans	-70.9	-44.9	-179.3	-59.9	168	143.5	0	0	110.6	L813 S814 K815 T820 F821	L813-E817 WeakPolarHBondContact CA-OE2 3.32Å; L813-E817 HydrophobicContact CD1-CB 3.87Å; S814-E817 PolarHBondContact N-OE2 3.24Å; S814-E817 PolarHBondContact O-N 2.57Å; K815-E817 VanDerWaalsContact C-N 3.31Å; K815-E817 PolarHBondContact O-N 3.18Å; E817-T820 WeakPolarHBondContact O-CB 3.33Å; E817-T820 PolarHBondContact O-N 3.01Å; E817-F821 PolarHBondContact O-N 2.64Å
818	F	94.6	Very high	86.9	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-66.1	-43.4	179.3	-166.8	-171.1	0	0	0	111.9	L568 L573 L576 L701 M704 I742 W793 L813 S814 K815 T820 F821 I822	L568-F818 HydrophobicContact CD2-CD1 4.22Å; L568-F818 HydrophobicContact CD2-CE1 3.49Å; L568-F818 VanDerWaalsContact CD2-CE1 3.49Å; L568-F818 HydrophobicContact CD2-CE2 4.16Å; L568-F818 HydrophobicContact CD2-CZ 3.46Å; L568-F818 VanDerWaalsContact CD2-CZ 3.46Å; L573-F818 HydrophobicContact CD1-CD2 3.58Å; L573-F818 HydrophobicContact CD1-CE2 3.67Å; L573-F818 HydrophobicContact CD1-CG 4.5Å; L576-F818 HydrophobicContact CD1-CE2 3.89Å; L576-F818 HydrophobicContact CD1-CZ 3.81Å; L701-F818 HydrophobicContact CD1-CZ 4.11Å; M704-F818 HydrophobicContact CE-CD1 3.69Å; M704-F818 HydrophobicContact CE-CE1 3.77Å; M704-F818 HydrophobicContact CE-CG 4.46Å; M704-F818 HydrophobicContact SD-CD1 4.1Å; M704-F818 HydrophobicContact SD-CE1 3.83Å; M704-F818 HydrophobicContact SD-CZ 4.09Å; I742-F818 HydrophobicContact CD1-CE1 4.24Å; I742-F818 HydrophobicContact CD1-CZ 4.15Å; W793-F818 AromaticContact CD2-CD1 3.94Å; W793-F818 HydrophobicContact CD2-CD1 3.94Å; W793-F818 HydrophobicContact CD2-CE1 4.22Å; W793-F818 AromaticContact CE3-CD1 3.75Å; W793-F818 HydrophobicContact CE3-CD1 3.75Å; W793-F818 AromaticContact CE3-CE1 3.9Å; W793-F818 HydrophobicContact CE3-CE1 3.9Å; W793-F818 HydrophobicContact CH2-CD1 4.21Å; W793-F818 HydrophobicContact CZ2-CD1 4.37Å; W793-F818 AromaticContact CZ3-CD1 3.91Å; W793-F818 HydrophobicContact CZ3-CD1 3.91Å; W793-F818 HydrophobicContact CZ3-CE1 4.38Å; L813-F818 HydrophobicContact CD1-CB 4.2Å; L813-F818 HydrophobicContact CD2-CB 4.23Å; L813-F818 HydrophobicContact CD2-CD1 4.35Å; L813-F818 HydrophobicContact CD2-CG 4.17Å; L813-F818 HydrophobicContact CG-CB 4.21Å; S814-F818 PolarHBondContact O-N 3.48Å; S814-F818 VanDerWaalsContact O-N 3.12Å; K815-F818 PolarHBondContact O-N 3.08Å; F818-T820 VanDerWaalsContact C-N 3.32Å; F818-T820 PolarHBondContact O-N 3.36Å; F818-F821 HydrophobicContact CD2-CD1 4.48Å; F818-F821 WeakPolarHBondContact O-CB 3.4Å; F818-F821 PolarHBondContact O-N 3.32Å; F818-I822 HydrophobicContact CD2-CD1 3.93Å; F818-I822 HydrophobicContact CD2-CG1 4.04Å; F818-I822 HydrophobicContact CE2-CD1 3.79Å; F818-I822 HydrophobicContact CE2-CG1 3.99Å; F818-I822 HydrophobicContact CZ-CD1 4.27Å; F818-I822 WeakPolarHBondContact O-CG1 3.4Å; F818-I822 PolarHBondContact O-N 3.44Å
819	L	93.7	Very high	86.9	Confident	18 Å²	18	74.2 Å²	74.2	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-38.3	173.4	-70	177.1	0	0	0	112.2	M704 E705 F708 K815 I822 H823	M704-L819 HydrophobicContact CG-CD2 3.95Å; E705-L819 HydrophobicContact CG-CD1 4.02Å; E705-L819 HydrophobicContact CG-CD2 3.5Å; E705-L819 VanDerWaalsContact CG-CD2 3.5Å; E705-L819 HydrophobicContact CG-CG 4.4Å; F708-L819 HydrophobicContact CD2-CD1 4.41Å; F708-L819 HydrophobicContact CE2-CD1 4.09Å; F708-L819 HydrophobicContact CE2-CD2 4.15Å; F708-L819 HydrophobicContact CE2-CG 4.26Å; K815-L819 HydrophobicContact CD-CD1 4.46Å; K815-L819 HydrophobicContact CG-CD1 3.69Å; K815-L819 HydrophobicContact CG-CG 4.29Å; K815-L819 WeakPolarHBondContact O-CB 3.47Å; K815-L819 VanDerWaalsContact O-CG 3.32Å; K815-L819 WeakPolarHBondContact O-CG 3.19Å; K815-L819 PolarHBondContact O-N 2.91Å; L819-I822 PolarHBondContact O-N 2.86Å; L819-H823 PolarHBondContact O-N 3.31Å; L819-H823 PolarHBondContact O-ND1 3.18Å
820	T	93.8	Very high	86.8	Confident	64 Å²	64	75.5 Å²	75.5	39%	0.393	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-44	174.1	-58	0	0	0	0	111.4	K816 E817 F818 I822 H823 Q824	K816-T820 WeakPolarHBondContact O-CB 2.9Å; K816-T820 PolarHBondContact O-N 2.94Å; K816-T820 PolarHBondContact O-OG1 3.38Å; E817-T820 WeakPolarHBondContact O-CB 3.33Å; E817-T820 PolarHBondContact O-N 3.01Å; F818-T820 VanDerWaalsContact C-N 3.32Å; F818-T820 PolarHBondContact O-N 3.36Å; T820-I822 PolarHBondContact O-N 3Å; T820-H823 PolarHBondContact O-N 3.43Å; T820-Q824 VanDerWaalsContact O-CG 3.3Å; T820-Q824 WeakPolarHBondContact O-CG 3.36Å; T820-Q824 PolarHBondContact O-N 3.12Å
821	F	93.9	Very high	87	Confident	22 Å²	22	73.3 Å²	73.3	10%	0.096	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-44	175.1	173.7	-89.2	0	0	0	112.1	L573 L576 R577 I579 E817 F818 Q824 H825	L573-F821 HydrophobicContact CD1-CB 4.43Å; L573-F821 HydrophobicContact CD1-CD1 3.65Å; L573-F821 HydrophobicContact CD1-CD2 4.36Å; L573-F821 HydrophobicContact CD1-CE1 3.94Å; L573-F821 HydrophobicContact CD1-CG 3.89Å; L573-F821 HydrophobicContact CD1-CZ 4.42Å; L573-F821 HydrophobicContact CD2-CB 3.92Å; L573-F821 HydrophobicContact CD2-CD1 4.4Å; L573-F821 HydrophobicContact CD2-CD2 3.78Å; L573-F821 HydrophobicContact CD2-CE2 4.42Å; L573-F821 HydrophobicContact CD2-CG 3.76Å; L573-F821 HydrophobicContact CG-CB 4.4Å; L573-F821 HydrophobicContact CG-CD1 3.95Å; L573-F821 HydrophobicContact CG-CD2 3.74Å; L573-F821 HydrophobicContact CG-CE1 4.14Å; L573-F821 HydrophobicContact CG-CE2 3.93Å; L573-F821 HydrophobicContact CG-CG 3.75Å; L573-F821 HydrophobicContact CG-CZ 4.13Å; L573-F821 VanDerWaalsContact O-CZ 3.24Å; L573-F821 WeakPolarHBondContact O-CZ 3.48Å; L576-F821 HydrophobicContact CB-CE1 3.96Å; L576-F821 HydrophobicContact CB-CZ 4.47Å; R577-F821 HydrophobicContact CG-CZ 4.46Å; I579-F821 HydrophobicContact CD1-CE1 4.19Å; E817-F821 PolarHBondContact O-N 2.64Å; F818-F821 HydrophobicContact CD2-CD1 4.48Å; F818-F821 WeakPolarHBondContact O-CB 3.4Å; F818-F821 PolarHBondContact O-N 3.32Å; F821-Q824 PolarHBondContact O-N 3.12Å; F821-H825 AromaticContact CD2-CE1 3.59Å; F821-H825 AromaticContact CD2-ND1 3.67Å; F821-H825 AromaticContact CE2-CE1 3.3Å; F821-H825 WeakPolarHBondContact CE2-CE1 3.34Å; F821-H825 AromaticContact CE2-ND1 3.55Å; F821-H825 AromaticContact CE2-NE2 3.98Å; F821-H825 AromaticContact CG-ND1 4Å; F821-H825 AromaticContact CZ-CE1 3.85Å; F821-H825 AromaticContact CZ-ND1 3.76Å; F821-H825 PolarHBondContact O-N 3.06Å; F821-H825 VanDerWaalsContact O-N 3.17Å; F821-H825 PolarHBondContact O-ND1 2.77Å
822	I	92.4	Very high	87.1	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-48.1	177.9	-68	173.2	0	0	0	110.4	I579 L701 M704 F818 L819 T820 Q824 H825 H826	I579-I822 HydrophobicContact CD1-CB 4.33Å; I579-I822 HydrophobicContact CD1-CG1 4.02Å; I579-I822 HydrophobicContact CD1-CG2 4.35Å; I579-I822 HydrophobicContact CG2-CG2 4.14Å; L701-I822 HydrophobicContact CD1-CD1 3.97Å; L701-I822 HydrophobicContact CG-CD1 4.15Å; M704-I822 HydrophobicContact CG-CD1 3.82Å; M704-I822 HydrophobicContact SD-CD1 3.2Å; M704-I822 WeakPolarHBondContact SD-CD1 3.4Å; F818-I822 HydrophobicContact CD2-CD1 3.93Å; F818-I822 HydrophobicContact CD2-CG1 4.04Å; F818-I822 HydrophobicContact CE2-CD1 3.79Å; F818-I822 HydrophobicContact CE2-CG1 3.99Å; F818-I822 HydrophobicContact CZ-CD1 4.27Å; F818-I822 WeakPolarHBondContact O-CG1 3.4Å; F818-I822 PolarHBondContact O-N 3.44Å; L819-I822 PolarHBondContact O-N 2.86Å; T820-I822 PolarHBondContact O-N 3Å; I822-Q824 VanDerWaalsContact C-N 3.29Å; I822-Q824 PolarHBondContact O-N 2.99Å; I822-H825 CarbonylContact O-C 3.5Å; I822-H825 PolarHBondContact O-N 3.33Å; I822-H825 VanDerWaalsContact O-N 3.09Å; I822-H826 WeakPolarHBondContact O-CB 3.49Å; I822-H826 PolarHBondContact O-N 3.48Å
823	H	90.3	Very high	87	Confident	102 Å²	102	67.4 Å²	67.4	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-34.3	178.3	-69.1	150.9	0	0	0	113.5	E705 L819 T820	E705-H823 IonicContact OE1-CE1 3.66Å; E705-H823 PolarHBondContact OE1-CE1 3.4Å; E705-H823 IonicContact OE1-NE2 2.56Å; L819-H823 PolarHBondContact O-N 3.31Å; L819-H823 PolarHBondContact O-ND1 3.18Å; T820-H823 PolarHBondContact O-N 3.43Å
824	Q	90.1	Very high	86.5	Confident	121 Å²	121	71.5 Å²	71.5	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-66.8	-34.6	174	-73.6	171.6	-5.6	0	0	113	T820 F821 I822	T820-Q824 VanDerWaalsContact O-CG 3.3Å; T820-Q824 WeakPolarHBondContact O-CG 3.36Å; T820-Q824 PolarHBondContact O-N 3.12Å; F821-Q824 PolarHBondContact O-N 3.12Å; I822-Q824 VanDerWaalsContact C-N 3.29Å; I822-Q824 PolarHBondContact O-N 2.99Å
825	H	86.5	Confident	85.9	Confident	39 Å²	39	75.9 Å²	75.9	18%	0.181	35%	0.345	C	S	.	.	H	α-helix	trans	-100.2	-7	-175.5	-65	84.5	0	0	0	114.1	I579 F821 I822 Q827	I579-H825 HydrophobicContact CD1-CB 4.03Å; I579-H825 HydrophobicContact CG1-CB 3.73Å; F821-H825 AromaticContact CD2-CE1 3.59Å; F821-H825 AromaticContact CD2-ND1 3.67Å; F821-H825 AromaticContact CE2-CE1 3.3Å; F821-H825 WeakPolarHBondContact CE2-CE1 3.34Å; F821-H825 AromaticContact CE2-ND1 3.55Å; F821-H825 AromaticContact CE2-NE2 3.98Å; F821-H825 AromaticContact CG-ND1 4Å; F821-H825 AromaticContact CZ-CE1 3.85Å; F821-H825 AromaticContact CZ-ND1 3.76Å; F821-H825 PolarHBondContact O-N 3.06Å; F821-H825 VanDerWaalsContact O-N 3.17Å; F821-H825 PolarHBondContact O-ND1 2.77Å; I822-H825 CarbonylContact O-C 3.5Å; I822-H825 PolarHBondContact O-N 3.33Å; I822-H825 VanDerWaalsContact O-N 3.09Å; H825-Q827 PolarHBondContact O-N 2.88Å
826	H	77.9	Confident	85.3	Confident	72 Å²	72	78.2 Å²	78.2	33%	0.333	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.1	176.4	-172.7	-98.3	0	0	0	114.2	F580 I822	F580-H826 AromaticContact CE1-CD2 3.62Å; F580-H826 AromaticContact CE1-NE2 3.51Å; F580-H826 AromaticContact CZ-CD2 3.66Å; F580-H826 AromaticContact CZ-NE2 3.68Å; F580-H826 WeakPolarHBondContact CZ-O 3.38Å; I822-H826 WeakPolarHBondContact O-CB 3.49Å; I822-H826 PolarHBondContact O-N 3.48Å
827	Q	59.7	Low	84.7	Confident	115 Å²	115	70.7 Å²	70.7	54%	0.537	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.4	-174	-63.6	-155.4	30.5	0	0	115.6	H825	H825-Q827 PolarHBondContact O-N 2.88Å
828	Y	50	Low	83.9	Confident	200 Å²	200	68.8 Å²	68.8	78%	0.784	32%	0.316	S	S	*	.			trans	-114.5	0	-172.6	-69.6	-76	0	0	0	112.3

Retrieved 828 of 828 residues in 521.6 ms (Link to these results)

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