A0A087XSB5_POEFO Loading...

116 kDa U5 small nuclear ribonucleoprotein component

Required for pre-mRNA splicing as component of the spliceosome, including pre-catalytic, catalytic and post-catalytic spliceosomal complexes. Component of the U5 snRNP and the U4/U6-U5 tri-snRNP complex, a building block of the spliceosome. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A087XSB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 971 aa.

						>A0A087XSB5_POEFO|A0A087XSB5
MEADLYDEFGNYIGPELDSDDDDDDLDAEDRDIDEGDEDEEDEPANEDENVPGMEVVLHEDKKYYPTAEEVYGPEVETIVQEEDTQPLTEPIIKPVKHKQFTLMEQELPATVYDMEFLADLMDGTELIRNVTLCGHLHHGKTCFVDCLIEQTHPEIRKRDDVDLRYTDILFTEQERGVGIKSTPVTMVLPDSRGKSYLFNIMDTPGHVNFSDEVTSSMRISDGVVLFIDAAEGVMLNTERLIKHAVQERMAITICINKVDRLIVELKLPPTDAYYKLRHIVDEVNGLLSTYSTDENLVVSPLLGNVCFASSQYSICFTLGSFAKIYSDTYGDINYNEFAKRLWGDIYFNPKTRKFTKKAPTSNSQRSFVEFVLEPLYKILSQVVGDVDTTLPRVLDELGIHLTKEELKLNIRPLLRLVCNRFFGEFTGFVDMCVQHIPSPQEGAKIKIDHTYTGGLDSDLGEAMAECDPDGPLMCHTTKMYSTEDGVQFHAFGRVLSGTIQAGQPVKVLGENYTLDDEEDSQICTVGRLWISVARYQIEVNRVPAGNWVLIEGCDQPIVKTATITEPRGNEEAQIFRPLKFNTASVIKIAVEPVNPSELPKMLDGLRKVNKSYPSLTTKVEESGEHVILGTGELYLDCVMHDLRKMYSEIDIKVADPVVTFCETVVETSSLKCFAETPNKKNKITMIAEPLEKGLAEDIENEVVQITWNRKKLGEFFQTKYDWDLLAARSIWAFGPDTTGPNILVDDTLPSEVDKALLGSVKDSIVQGFQWGTREGPLCDEPIRNVKFKILDAVIAQEPLHRGGGQVIPTARRVVYSAFLMATPRLMEPYYFVEVQAPADCVSAVYTVLARRRGHVTQDAPIPGSPLYTIKAFIPAIDSFGFETDLRTHTQGQAFALSVFHHWQIVPGDPLDKSIVIRPLEPQPAPHLAREFMIKTRRRKGLSEDVSISKFFDDPMLLELAKQDVVLNYPM
					

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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	46.8	Very low	58.7	Low	242 Å²	242	124.3 Å²	124.3	100%	1.192	65%	0.646	S	S	*	*				0	106.6	0	-68	179.6	-164.9	0	0	103.9
2	E	44.2	Very low	59.4	Low	156 Å²	156	125.6 Å²	125.6	73%	0.729	64%	0.638	S	S	*	*			trans	-70.3	132.3	-173.5	-73	165.8	170.5	0	0	108.9	D4	E2-D4 PolarHBondContact O-N 3.35Å
3	A	54.8	Low	60	Low	80 Å²	80	124.7 Å²	124.7	66%	0.661	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-75.9	-10	-170.1	0	0	0	0	0	113.3
4	D	57.9	Low	60.4	Low	152 Å²	152	117.2 Å²	117.2	81%	0.813	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-92.9	-2	-168.3	-54.3	-29.9	0	0	0	113.3	E2	E2-D4 PolarHBondContact O-N 3.35Å
5	L	50	Low	60.3	Low	42 Å²	42	115.7 Å²	115.7	22%	0.22	60%	0.604	C	S	.	*	G	3₁₀ helix	trans	-96.7	4.8	176.4	-69.2	167.2	0	0	0	113	Y12 I13 G14 P15	L5-Y12 HydrophobicContact CB-CD2 4.2Å; L5-Y12 HydrophobicContact CB-CE2 3.83Å; L5-Y12 HydrophobicContact CD1-CE2 4.33Å; L5-Y12 CarbonylContact O-C 3.55Å; L5-Y12 WeakPolarHBondContact O-CA 3.29Å; L5-Y12 WeakPolarHBondContact O-CD2 3.26Å; L5-I13 PolarHBondContact O-N 3.25Å; L5-G14 WeakPolarHBondContact CD2-O 3.41Å; L5-P15 HydrophobicContact CD2-CB 3.81Å; L5-P15 VanDerWaalsContact CD2-N 3.31Å
6	Y	69.6	Low	59.9	Low	121 Å²	121	120.4 Å²	120.4	48%	0.475	62%	0.622	S	S	.	*	B	Isolated β-bridge	trans	-133.7	138.9	-176.7	-71.6	-93.7	0	0	0	110.1	G10 N11 Y12	Y6-G10 WeakPolarHBondContact CD1-O 3.28Å; Y6-N11 CarbonylContact C-O 3.58Å; Y6-N11 WeakPolarHBondContact CA-O 3.44Å; Y6-Y12 HydrophobicContact CD1-CD2 4.29Å; Y6-Y12 HydrophobicContact CD2-CD2 4.07Å; Y6-Y12 AromaticContact CE1-CD2 3.76Å; Y6-Y12 HydrophobicContact CE1-CD2 3.76Å; Y6-Y12 HydrophobicContact CE1-CG 4.09Å; Y6-Y12 AromaticContact CE2-CD2 3.49Å; Y6-Y12 HydrophobicContact CE2-CD2 3.49Å; Y6-Y12 VanDerWaalsContact CE2-CD2 3.49Å; Y6-Y12 HydrophobicContact CE2-CE2 4.04Å; Y6-Y12 HydrophobicContact CG-CD2 4.44Å; Y6-Y12 AromaticContact CZ-CD2 3.31Å; Y6-Y12 WeakPolarHBondContact OH-CD2 2.85Å
7	D	76	Confident	58.7	Low	56 Å²	56	123.4 Å²	123.4	30%	0.299	64%	0.638	S	S	.	*			trans	-75.5	174.4	177.5	72.8	6.9	0	0	0	111.7	F9 G10 N11 I13	D7-F9 PolarHBondContact O-N 3.35Å; D7-F9 VanDerWaalsContact OD1-C 3.27Å; D7-F9 WeakPolarHBondContact OD1-CA 3.29Å; D7-F9 WeakPolarHBondContact OD1-CB 3.38Å; D7-F9 PolarHBondContact OD1-N 3.03Å; D7-G10 PolarHBondContact O-N 2.85Å; D7-G10 PolarHBondContact OD1-N 3.3Å; D7-N11 PolarHBondContact N-O 3.41Å; D7-N11 PolarHBondContact OD1-N 2.63Å; D7-N11 PolarHBondContact OD2-ND2 3.37Å; D7-N11 VanDerWaalsContact OD2-ND2 3.09Å; D7-I13 HydrophobicContact CB-CD1 3.66Å; D7-I13 HydrophobicContact CB-CG1 4.12Å
8	E	59.3	Low	57.4	Low	191 Å²	191	125.7 Å²	125.7	89%	0.893	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-5.4	179.5	-62.3	-173.7	168.4	0	0	113.9
9	F	58.6	Low	56.2	Low	178 Å²	178	124.7 Å²	124.7	78%	0.781	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	1.5	175.4	-60.2	-79.2	0	0	0	113.2	D7	D7-F9 PolarHBondContact O-N 3.35Å; D7-F9 VanDerWaalsContact OD1-C 3.27Å; D7-F9 WeakPolarHBondContact OD1-CA 3.29Å; D7-F9 WeakPolarHBondContact OD1-CB 3.38Å; D7-F9 PolarHBondContact OD1-N 3.03Å
10	G	59.3	Low	55	Low	50 Å²	50	126.7 Å²	126.7	52%	0.515	67%	0.668	S	S	.	*	S	Bend	trans	84.1	18.1	175.9	0	0	0	0	0	114.9	Y6 D7	Y6-G10 WeakPolarHBondContact CD1-O 3.28Å; D7-G10 PolarHBondContact O-N 2.85Å; D7-G10 PolarHBondContact OD1-N 3.3Å
11	N	69.1	Low	54	Low	99 Å²	99	127.4 Å²	127.4	53%	0.529	67%	0.672	S	S	.	*			trans	-85.3	135.7	173.6	-57.6	-47.7	0	0	0	110.6	Y6 D7 I13	Y6-N11 CarbonylContact C-O 3.58Å; Y6-N11 WeakPolarHBondContact CA-O 3.44Å; D7-N11 PolarHBondContact N-O 3.41Å; D7-N11 PolarHBondContact OD1-N 2.63Å; D7-N11 PolarHBondContact OD2-ND2 3.37Å; D7-N11 VanDerWaalsContact OD2-ND2 3.09Å; N11-I13 WeakPolarHBondContact O-CG1 3.2Å; N11-I13 PolarHBondContact O-N 3.07Å
12	Y	66.6	Low	53.2	Low	140 Å²	140	123.1 Å²	123.1	55%	0.549	65%	0.654	S	S	.	*	B	Isolated β-bridge	trans	-74.7	117.9	-179.9	-175.3	-114.2	0	0	0	111	L5 Y6	L5-Y12 HydrophobicContact CB-CD2 4.2Å; L5-Y12 HydrophobicContact CB-CE2 3.83Å; L5-Y12 HydrophobicContact CD1-CE2 4.33Å; L5-Y12 CarbonylContact O-C 3.55Å; L5-Y12 WeakPolarHBondContact O-CA 3.29Å; L5-Y12 WeakPolarHBondContact O-CD2 3.26Å; Y6-Y12 HydrophobicContact CD1-CD2 4.29Å; Y6-Y12 HydrophobicContact CD2-CD2 4.07Å; Y6-Y12 AromaticContact CE1-CD2 3.76Å; Y6-Y12 HydrophobicContact CE1-CD2 3.76Å; Y6-Y12 HydrophobicContact CE1-CG 4.09Å; Y6-Y12 AromaticContact CE2-CD2 3.49Å; Y6-Y12 HydrophobicContact CE2-CD2 3.49Å; Y6-Y12 VanDerWaalsContact CE2-CD2 3.49Å; Y6-Y12 HydrophobicContact CE2-CE2 4.04Å; Y6-Y12 HydrophobicContact CG-CD2 4.44Å; Y6-Y12 AromaticContact CZ-CD2 3.31Å; Y6-Y12 WeakPolarHBondContact OH-CD2 2.85Å
13	I	67.4	Low	52.6	Low	114 Å²	114	121.9 Å²	121.9	59%	0.585	65%	0.653	S	S	*	*			trans	-93.7	-17.1	-176	-35.6	180	0	0	0	112	L5 D7 N11	L5-I13 PolarHBondContact O-N 3.25Å; D7-I13 HydrophobicContact CB-CD1 3.66Å; D7-I13 HydrophobicContact CB-CG1 4.12Å; N11-I13 WeakPolarHBondContact O-CG1 3.2Å; N11-I13 PolarHBondContact O-N 3.07Å
14	G	66.4	Low	51.4	Low	20 Å²	20	124.6 Å²	124.6	21%	0.206	66%	0.656	C	S	.	*			trans	74.7	161.4	-177.4	0	0	0	0	0	113.4	L5	L5-G14 WeakPolarHBondContact CD2-O 3.41Å
15	P	58.8	Low	50.2	Low	95 Å²	95	123.8 Å²	123.8	62%	0.617	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-75.7	134.4	-174.2	28	-31.6	0	0	0	111.9	L5 L17	L5-P15 HydrophobicContact CD2-CB 3.81Å; L5-P15 VanDerWaalsContact CD2-N 3.31Å; P15-L17 PolarHBondContact O-N 3.13Å
16	E	52.8	Low	49.3	Very low	191 Å²	191	128.3 Å²	128.3	89%	0.893	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-63.2	129.7	169.4	-68.8	-174.6	160.7	0	0	109.8
17	L	39.4	Very low	47.4	Very low	171 Å²	171	129.6 Å²	129.6	90%	0.895	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-83.2	117.7	175.1	-76.1	162.4	0	0	0	108.5	P15 S19	P15-L17 PolarHBondContact O-N 3.13Å; L17-S19 PolarHBondContact O-N 3.23Å
18	D	35.8	Very low	45.3	Very low	164 Å²	164	130.9 Å²	130.9	88%	0.877	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-57.5	120.2	169.2	-76.1	-39.1	0	0	0	109.9
19	S	35.4	Very low	43.9	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-79.5	117.8	164	53.6	0	0	0	0	109.2	L17	L17-S19 PolarHBondContact O-N 3.23Å
20	D	31.9	Very low	42.6	Very low	164 Å²	164	129.5 Å²	129.5	88%	0.877	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-92.7	129.7	157.7	-90.7	-22.7	0	0	0	108.7
21	D	32.8	Very low	41.2	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-57.3	146.4	177.4	-67	-51.9	0	0	0	113.7
22	D	30.3	Very low	39.4	Very low	151 Å²	151	138.9 Å²	138.9	81%	0.807	73%	0.732	S	S	*	*				-169.6	130.3	115	-91.1	-21.5	0	0	0	112.1
23	D	31.3	Very low	37.7	Very low	131 Å²	131	139.7 Å²	139.7	70%	0.701	74%	0.744	S	S	*	*			trans	82.5	100.1	150.6	-62.5	-17	0	0	0	122.3
24	D	31.1	Very low	36	Very low	137 Å²	137	141.7 Å²	141.7	73%	0.733	76%	0.756	S	S	*	*				74.8	116.5	118.7	-72.4	-15.6	0	0	0	121.3
25	D	31	Very low	34.6	Very low	134 Å²	134	150.2 Å²	150.2	72%	0.717	79%	0.791	S	S	*	*				111.8	115.8	121.8	-93.8	-17.6	0	0	0	119.4
26	L	31.3	Very low	33.2	Very low	138 Å²	138	149.1 Å²	149.1	72%	0.723	80%	0.797	S	S	*	*			trans	97.3	93.3	141	-61.5	161.4	0	0	0	119
27	D	30.7	Very low	32.6	Very low	147 Å²	147	147.9 Å²	147.9	79%	0.786	80%	0.796	S	S	*	*				53	113.6	115.6	-77.1	-20.6	0	0	0	120
28	A	31.7	Very low	32.4	Very low	84 Å²	84	148.8 Å²	148.8	69%	0.694	80%	0.796	S	S	*	*				95.6	116.6	117.5	0	0	0	0	0	119.6
29	E	30.5	Very low	32.3	Very low	186 Å²	186	148 Å²	148	87%	0.869	79%	0.792	S	S	*	*			trans	83.7	97.9	136.7	-68.7	-178.4	179.5	0	0	118.6
30	D	31.1	Very low	32.3	Very low	153 Å²	153	151.8 Å²	151.8	82%	0.818	80%	0.798	S	S	*	*			trans	-14.5	135.2	135.9	-68.5	-44.6	0	0	0	114.9
31	R	29.5	Very low	32.7	Very low	214 Å²	214	152.5 Å²	152.5	81%	0.808	80%	0.796	S	S	*	*				-179.6	131.2	101.5	-97.6	178.1	-169	171.7	4.7	113.8
32	D	31.3	Very low	32.7	Very low	132 Å²	132	154 Å²	154	71%	0.706	80%	0.804	S	S	*	*			trans	71.7	153.7	133.4	-60.5	-31.4	0	0	0	120.5
33	I	32	Very low	32.9	Very low	157 Å²	157	155.8 Å²	155.8	81%	0.805	81%	0.807	S	S	*	*			trans	105.1	93.6	154.8	-52.9	163.1	0	0	0	111.3
34	D	31.6	Very low	33.8	Very low	156 Å²	156	155 Å²	155	83%	0.834	81%	0.809	S	S	*	*				64.7	110.9	67.3	-152	21.7	0	0	0	111	G36	D34-G36 PolarHBondContact O-N 3.16Å
35	E	35.2	Very low	34	Very low	199 Å²	199	153.3 Å²	153.3	93%	0.93	81%	0.814	S	S	*	*			trans	-68.8	127.1	178.5	-74.7	178.2	156.7	0	0	109.9
36	G	30.9	Very low	34.1	Very low	73 Å²	73	154.4 Å²	154.4	75%	0.753	82%	0.82	S	S	*	*			trans	-152	99.8	168	0	0	0	0	0	108.5	D34	D34-G36 PolarHBondContact O-N 3.16Å
37	D	40.6	Very low	34.5	Very low	164 Å²	164	156.3 Å²	156.3	88%	0.877	83%	0.826	S	S	*	*			trans	-42.5	135.1	170.1	-70.7	-51.1	0	0	0	112.1
38	E	33.9	Very low	34.7	Very low	191 Å²	191	157.5 Å²	157.5	89%	0.893	83%	0.832	S	S	*	*			trans	-158.8	131	139.1	-110.3	170.2	-156.9	0	0	110.3
39	D	35	Very low	35.4	Very low	147 Å²	147	161.2 Å²	161.2	79%	0.786	84%	0.835	S	S	*	*			trans	-36.5	145.8	174.7	-55.8	-61.7	0	0	0	115.8
40	E	34	Very low	36.1	Very low	187 Å²	187	158.8 Å²	158.8	87%	0.874	83%	0.828	S	S	*	*				174.1	137.3	107.7	-92.7	178.6	177.6	0	0	112.8
41	E	41.6	Very low	36.7	Very low	180 Å²	180	158.1 Å²	158.1	84%	0.841	83%	0.829	S	S	*	*			trans	-22.6	137.1	164.6	-60.1	172.1	163.1	0	0	117.6
42	D	32	Very low	37.8	Very low	174 Å²	174	153.4 Å²	153.4	93%	0.93	83%	0.826	S	S	*	*			trans	-154	122.2	132.6	-103.7	-29.6	0	0	0	112.3
43	E	35.2	Very low	38.3	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	83%	0.826	S	S	*	*			trans	-74.3	168.4	174	-104.1	-165.8	178	0	0	112.4
44	P	50.4	Low	39.6	Very low	115 Å²	115	152 Å²	152	75%	0.747	83%	0.833	S	S	*	*			trans	-93.5	151.2	-145	36.2	-36.1	0	0	0	114.6
45	A	34.2	Very low	41.3	Very low	101 Å²	101	153.2 Å²	153.2	84%	0.835	83%	0.833	S	S	*	*			trans	-118.2	94.9	165.2	0	0	0	0	0	111
46	N	33.8	Very low	43.3	Very low	158 Å²	158	150 Å²	150	85%	0.845	83%	0.826	S	S	*	*			trans	26.8	121.5	150.3	-67.1	-35.2	0	0	0	120.4
47	E	39.8	Very low	45.4	Very low	178 Å²	178	151 Å²	151	83%	0.832	82%	0.818	S	S	*	*			trans	-46.5	131.8	157	-62.9	169.7	150.2	0	0	113.3
48	D	35.2	Very low	47.7	Very low	172 Å²	172	147.7 Å²	147.7	92%	0.92	80%	0.8	S	S	*	*			trans	-114.9	121.5	143.8	-104.6	-28.9	0	0	0	107.2
49	E	46.2	Very low	50	Low	161 Å²	161	145.7 Å²	145.7	75%	0.752	79%	0.79	S	S	*	*			trans	-73.2	140.7	-174.2	-74.2	-177.6	144.7	0	0	114.6
50	N	43.8	Very low	52.3	Low	135 Å²	135	146.4 Å²	146.4	72%	0.722	79%	0.789	S	S	*	*			trans	73.1	111.8	139.4	-75.7	-38.4	0	0	0	122.6
51	V	44.9	Very low	54.7	Low	139 Å²	139	142.1 Å²	142.1	84%	0.842	77%	0.772	S	S	*	*				-151.1	134.8	114.1	-179.4	0	0	0	0	109
52	P	51.4	Low	56.9	Low	116 Å²	116	138.9 Å²	138.9	75%	0.753	76%	0.755	S	S	*	*			trans	-82	124.5	-168.2	31.2	-32.9	0	0	0	113.1
53	G	43.3	Very low	59.2	Low	68 Å²	68	139.1 Å²	139.1	70%	0.701	75%	0.748	S	S	*	*			trans	-71.7	127.6	159.5	0	0	0	0	0	109.4	E55	G53-E55 PolarHBondContact O-N 2.86Å
54	M	58.5	Low	61.6	Low	192 Å²	192	136.7 Å²	136.7	95%	0.946	73%	0.732	S	S	*	*			trans	-67.8	86.3	167.2	-89.4	177.3	155.1	0	0	108.8	V56	M54-V56 PolarHBondContact O-N 3.41Å
55	E	67.3	Low	63.5	Low	181 Å²	181	140.7 Å²	140.7	85%	0.846	73%	0.733	S	S	*	*			trans	-71.6	123.4	162.3	-75.3	-179.2	166.6	0	0	108.4	G53 V57	G53-E55 PolarHBondContact O-N 2.86Å; E55-V57 PolarHBondContact O-N 3.13Å
56	V	77.1	Confident	65.9	Low	130 Å²	130	139.7 Å²	139.7	79%	0.788	72%	0.718	S	S	*	*			trans	-79	110.4	178.6	177.4	0	0	0	0	107.8	M54	M54-V56 PolarHBondContact O-N 3.41Å
57	V	75.4	Confident	68.5	Low	95 Å²	95	135 Å²	135	58%	0.576	70%	0.695	S	S	*	*			trans	-77.6	123	171.3	-174.1	0	0	0	0	108.7	E55 D61	E55-V57 PolarHBondContact O-N 3.13Å; V57-D61 HydrophobicContact CG1-CB 4.09Å; V57-D61 WeakPolarHBondContact CG1-O 3.44Å
58	L	87.9	Confident	70.8	Confident	94 Å²	94	128.6 Å²	128.6	49%	0.492	67%	0.673	S	S	.	*			trans	-61.7	157.7	175.1	-62.7	175.7	0	0	0	110.6	E60 D61 K62	L58-E60 VanDerWaalsContact C-N 3.27Å; L58-E60 HydrophobicContact CB-CG 4.14Å; L58-E60 PolarHBondContact O-N 3.15Å; L58-D61 PolarHBondContact O-N 3.2Å; L58-K62 PolarHBondContact O-N 3.06Å
59	H	82.4	Confident	73.3	Confident	149 Å²	149	126.5 Å²	126.5	69%	0.69	66%	0.658	S	S	*	*	S	Bend	trans	-63.9	-34.6	-177	-177.9	33.5	0	0	0	112.5	K62 Y64	H59-K62 WeakPolarHBondContact O-CB 3.28Å; H59-K62 PolarHBondContact O-N 2.9Å; H59-Y64 PolarHBondContact CE1-OH 2.95Å; H59-Y64 PolarHBondContact ND1-OH 3.4Å
60	E	84.4	Confident	75.3	Confident	162 Å²	162	125.4 Å²	125.4	76%	0.757	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-36.5	177.6	61.7	-157.4	149.6	0	0	112.9	L58 K62	L58-E60 VanDerWaalsContact C-N 3.27Å; L58-E60 HydrophobicContact CB-CG 4.14Å; L58-E60 PolarHBondContact O-N 3.15Å; E60-K62 VanDerWaalsContact C-N 3.27Å; E60-K62 PolarHBondContact O-N 3.35Å
61	D	84	Confident	77.5	Confident	98 Å²	98	123 Å²	123	52%	0.524	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.1	4	179.2	-58.8	-43	0	0	0	113.4	V57 L58 K63	V57-D61 HydrophobicContact CG1-CB 4.09Å; V57-D61 WeakPolarHBondContact CG1-O 3.44Å; L58-D61 PolarHBondContact O-N 3.2Å; D61-K63 PolarHBondContact O-N 3.02Å
62	K	86.8	Confident	79.6	Confident	111 Å²	111	123.7 Å²	123.7	48%	0.483	63%	0.631	S	S	.	*			trans	-69.5	93.5	-179	-171.3	162.2	179.7	172.1	0	109.8	L58 H59 E60 Y64	L58-K62 PolarHBondContact O-N 3.06Å; H59-K62 WeakPolarHBondContact O-CB 3.28Å; H59-K62 PolarHBondContact O-N 2.9Å; E60-K62 VanDerWaalsContact C-N 3.27Å; E60-K62 PolarHBondContact O-N 3.35Å; K62-Y64 HydrophobicContact CB-CE2 3.93Å; K62-Y64 HydrophobicContact CD-CE1 3.82Å; K62-Y64 HydrophobicContact CD-CE2 4.3Å; K62-Y64 HydrophobicContact CG-CD1 4.39Å; K62-Y64 HydrophobicContact CG-CD2 4.31Å; K62-Y64 HydrophobicContact CG-CE1 4.03Å; K62-Y64 HydrophobicContact CG-CE2 3.91Å; K62-Y64 WeakPolarHBondContact O-CD2 3.4Å; K62-Y64 VanDerWaalsContact O-CE2 3.27Å; K62-Y64 WeakPolarHBondContact O-CE2 3.19Å; K62-Y64 PolarHBondContact O-N 3.22Å
63	K	81.3	Confident	81.3	Confident	180 Å²	180	119.2 Å²	119.2	78%	0.783	61%	0.606	S	S	*	*			trans	-66.4	100.2	168.6	-67.7	-175.8	-179.6	-179.8	0	109.5	D61 Y65	D61-K63 PolarHBondContact O-N 3.02Å; K63-Y65 VanDerWaalsContact C-N 3.35Å
64	Y	86.1	Confident	83.3	Confident	135 Å²	135	121.7 Å²	121.7	53%	0.529	61%	0.61	S	S	.	*			trans	-75.7	-25.7	179.3	-71	-84.8	0	0	0	113.2	H59 K62	H59-Y64 PolarHBondContact CE1-OH 2.95Å; H59-Y64 PolarHBondContact ND1-OH 3.4Å; K62-Y64 HydrophobicContact CB-CE2 3.93Å; K62-Y64 HydrophobicContact CD-CE1 3.82Å; K62-Y64 HydrophobicContact CD-CE2 4.3Å; K62-Y64 HydrophobicContact CG-CD1 4.39Å; K62-Y64 HydrophobicContact CG-CD2 4.31Å; K62-Y64 HydrophobicContact CG-CE1 4.03Å; K62-Y64 HydrophobicContact CG-CE2 3.91Å; K62-Y64 WeakPolarHBondContact O-CD2 3.4Å; K62-Y64 VanDerWaalsContact O-CE2 3.27Å; K62-Y64 WeakPolarHBondContact O-CE2 3.19Å; K62-Y64 PolarHBondContact O-N 3.22Å
65	Y	88.8	Confident	84.8	Confident	199 Å²	199	121.9 Å²	121.9	78%	0.78	61%	0.608	S	S	*	*	S	Bend	trans	-128.9	142.6	-176.4	-58	-71.6	0	0	0	109.9	K63	K63-Y65 VanDerWaalsContact C-N 3.35Å
66	P	86.5	Confident	85.8	Confident	80 Å²	80	116.7 Å²	116.7	52%	0.519	59%	0.589	S	S	.	*			trans	-61.4	157.1	170.3	26.7	-32.9	0	0	0	110.4	E70 V71	P66-E70 WeakPolarHBondContact CA-OE2 3.41Å; P66-E70 HydrophobicContact CB-CB 4.34Å; P66-E70 VanDerWaalsContact CB-OE2 3.23Å; P66-E70 WeakPolarHBondContact CB-OE2 3.42Å; P66-V71 HydrophobicContact CB-CG2 4.27Å; P66-V71 HydrophobicContact CG-CG2 3.79Å
67	T	88.2	Confident	86.3	Confident	59 Å²	59	118.4 Å²	118.4	36%	0.362	59%	0.588	S	S	.	*			trans	-67	154.3	-179.6	64.8	0	0	0	0	110.4	E69 E70 V71	T67-E69 PolarHBondContact O-N 3.33Å; T67-E70 PolarHBondContact N-OE2 3.47Å; T67-E70 WeakPolarHBondContact O-CB 3.37Å; T67-E70 PolarHBondContact O-N 3.26Å; T67-E70 VanDerWaalsContact O-N 3.14Å; T67-E70 WeakPolarHBondContact OG1-CG 3.25Å; T67-E70 PolarHBondContact OG1-N 2.75Å; T67-E70 PolarHBondContact OG1-OE1 2.96Å; T67-V71 WeakPolarHBondContact O-CG2 3.49Å; T67-V71 PolarHBondContact O-N 2.85Å
68	A	87.6	Confident	86.9	Confident	44 Å²	44	116.8 Å²	116.8	36%	0.364	58%	0.578	S	S	.	*	H	α-helix	trans	-61.1	-32.4	-179.5	0	0	0	0	0	112.3	V71 Y72 T78	A68-V71 PolarHBondContact O-N 3.41Å; A68-Y72 VanDerWaalsContact O-CD2 3.26Å; A68-Y72 WeakPolarHBondContact O-CD2 3.22Å; A68-Y72 PolarHBondContact O-N 2.85Å; A68-T78 HydrophobicContact CB-CG2 3.41Å; A68-T78 VanDerWaalsContact CB-CG2 3.41Å
69	E	87.6	Confident	87	Confident	129 Å²	129	117.2 Å²	117.2	60%	0.603	58%	0.58	S	S	*	*	H	α-helix	trans	-67.1	-38.7	175.4	-167.7	172.7	-172.1	0	0	112.5	T67 V71 G73	T67-E69 PolarHBondContact O-N 3.33Å; E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 3.21Å; E69-G73 WeakPolarHBondContact O-CA 3.11Å; E69-G73 PolarHBondContact O-N 2.68Å
70	E	87.6	Confident	87.3	Confident	137 Å²	137	115.2 Å²	115.2	64%	0.64	58%	0.578	S	S	*	*	H	α-helix	trans	-65.3	-30.5	172.8	-74	162.6	-159.9	0	0	112.5	P66 T67	P66-E70 WeakPolarHBondContact CA-OE2 3.41Å; P66-E70 HydrophobicContact CB-CB 4.34Å; P66-E70 VanDerWaalsContact CB-OE2 3.23Å; P66-E70 WeakPolarHBondContact CB-OE2 3.42Å; T67-E70 PolarHBondContact N-OE2 3.47Å; T67-E70 WeakPolarHBondContact O-CB 3.37Å; T67-E70 PolarHBondContact O-N 3.26Å; T67-E70 VanDerWaalsContact O-N 3.14Å; T67-E70 WeakPolarHBondContact OG1-CG 3.25Å; T67-E70 PolarHBondContact OG1-N 2.75Å; T67-E70 PolarHBondContact OG1-OE1 2.96Å
71	V	90.3	Very high	87.6	Confident	85 Å²	85	113.9 Å²	113.9	52%	0.515	57%	0.572	S	S	.	*	H	α-helix	trans	-79.2	-43.6	-178.5	174.8	0	0	0	0	112	P66 T67 A68 E69	P66-V71 HydrophobicContact CB-CG2 4.27Å; P66-V71 HydrophobicContact CG-CG2 3.79Å; T67-V71 WeakPolarHBondContact O-CG2 3.49Å; T67-V71 PolarHBondContact O-N 2.85Å; A68-V71 PolarHBondContact O-N 3.41Å; E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 3.21Å
72	Y	88.3	Confident	87.9	Confident	154 Å²	154	117.7 Å²	117.7	60%	0.604	59%	0.586	S	S	*	*	H	α-helix	trans	-98.1	-17.6	-174.8	-65.1	-69.8	0	0	0	113.9	A68 V76	A68-Y72 VanDerWaalsContact O-CD2 3.26Å; A68-Y72 WeakPolarHBondContact O-CD2 3.22Å; A68-Y72 PolarHBondContact O-N 2.85Å; Y72-V76 HydrophobicContact CG-CG1 4.49Å
73	G	88.1	Confident	88.1	Confident	21 Å²	21	120.2 Å²	120.2	22%	0.216	60%	0.6	C	S	.	*			trans	84.6	166	-178.2	0	0	0	0	0	113.3	E69 E75 V76	E69-G73 WeakPolarHBondContact O-CA 3.11Å; E69-G73 PolarHBondContact O-N 2.68Å; G73-E75 PolarHBondContact O-N 3Å; G73-E75 VanDerWaalsContact O-N 3.16Å; G73-V76 PolarHBondContact O-N 3.43Å; G73-V76 VanDerWaalsContact O-N 3.16Å
74	P	86.1	Confident	88.4	Confident	121 Å²	121	119 Å²	119	79%	0.786	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-11.6	-174.3	29	-36	0	0	0	113.9	V76	P74-V76 VanDerWaalsContact C-N 3.29Å
75	E	88.4	Confident	88.6	Confident	195 Å²	195	119 Å²	119	91%	0.911	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-14	175.4	-63.6	-174.8	178.6	0	0	112.9	G73	G73-E75 PolarHBondContact O-N 3Å; G73-E75 VanDerWaalsContact O-N 3.16Å
76	V	88.1	Confident	88.6	Confident	73 Å²	73	113 Å²	113	44%	0.442	60%	0.596	S	S	.	*	S	Bend	trans	-113.6	111.3	-176.3	-178.4	0	0	0	0	110.1	Y72 G73 P74 T78	Y72-V76 HydrophobicContact CG-CG1 4.49Å; G73-V76 PolarHBondContact O-N 3.43Å; G73-V76 VanDerWaalsContact O-N 3.16Å; P74-V76 VanDerWaalsContact C-N 3.29Å; V76-T78 PolarHBondContact O-N 3.2Å; V76-T78 VanDerWaalsContact O-N 3.11Å
77	E	89.6	Confident	88.7	Confident	166 Å²	166	113 Å²	113	78%	0.776	60%	0.595	S	S	*	*			trans	-67.3	109.7	173.7	-171.1	-176.5	-175	0	0	109.9	I79	E77-I79 HydrophobicContact CG-CD1 4.39Å; E77-I79 HydrophobicContact CG-CG1 3.91Å
78	T	87.5	Confident	88.9	Confident	60 Å²	60	118.9 Å²	118.9	37%	0.368	62%	0.624	S	S	.	*			trans	-88.6	111.9	173.5	-55.1	0	0	0	0	109	A68 V76	A68-T78 HydrophobicContact CB-CG2 3.41Å; A68-T78 VanDerWaalsContact CB-CG2 3.41Å; V76-T78 PolarHBondContact O-N 3.2Å; V76-T78 VanDerWaalsContact O-N 3.11Å
79	I	89.2	Confident	89.1	Confident	103 Å²	103	123 Å²	123	53%	0.528	64%	0.644	S	S	.	*			trans	-103.4	123.2	177.3	-51.5	178.5	0	0	0	109.2	E77 Q81	E77-I79 HydrophobicContact CG-CD1 4.39Å; E77-I79 HydrophobicContact CG-CG1 3.91Å; I79-Q81 HydrophobicContact CG2-CG 3.8Å; I79-Q81 VanDerWaalsContact CG2-NE2 3.26Å
80	V	89.5	Confident	89.1	Confident	107 Å²	107	120.4 Å²	120.4	65%	0.648	63%	0.632	S	S	*	*			trans	-103	113.1	170.7	-174.5	0	0	0	0	108.1	E82	V80-E82 HydrophobicContact CG1-CG 4.04Å
81	Q	89.7	Confident	89.2	Confident	135 Å²	135	116.8 Å²	116.8	63%	0.631	62%	0.621	S	S	*	*			trans	-111.7	105.3	176.8	-66.6	-66.6	-31.5	0	0	108.6	I79	I79-Q81 HydrophobicContact CG2-CG 3.8Å; I79-Q81 VanDerWaalsContact CG2-NE2 3.26Å
82	E	91.5	Very high	89.3	Confident	177 Å²	177	119.9 Å²	119.9	83%	0.827	63%	0.633	S	S	*	*			trans	-91.6	-28.8	-179.8	-59.8	-172.5	161.3	0	0	112.4	V80	V80-E82 HydrophobicContact CG1-CG 4.04Å
83	E	90.6	Very high	89.4	Confident	165 Å²	165	119.8 Å²	119.8	77%	0.771	64%	0.641	S	S	*	*	S	Bend	trans	-124.4	151.3	-178.9	-61.6	-171.7	164.6	0	0	111.3
84	D	87.4	Confident	89.5	Confident	153 Å²	153	125.7 Å²	125.7	82%	0.818	66%	0.661	S	S	*	*			trans	-72.5	139.5	176.1	-69.1	-34.8	0	0	0	110.6	Q86	D84-Q86 PolarHBondContact O-N 3.07Å
85	T	89.2	Confident	89.7	Confident	136 Å²	136	123.6 Å²	123.6	83%	0.834	65%	0.648	S	S	*	*	S	Bend	trans	-74.9	-10.4	179	56.5	0	0	0	0	114.2
86	Q	89.1	Confident	89.7	Confident	74 Å²	74	120.5 Å²	120.5	35%	0.346	64%	0.641	S	S	.	*	S	Bend	trans	-139.4	142.4	179.6	66.8	-177.1	10.6	0	0	110.9	D84	D84-Q86 PolarHBondContact O-N 3.07Å
87	P	90.1	Very high	89.5	Confident	79 Å²	79	125.2 Å²	125.2	51%	0.513	66%	0.656	S	S	.	*			trans	-72.6	155.7	178.9	30.9	-35.3	0	0	0	111.5	T89 E90	P87-T89 PolarHBondContact O-N 3.21Å; P87-E90 HydrophobicContact CG-CB 4.41Å; P87-E90 PolarHBondContact O-N 3.49Å
88	L	90.9	Very high	89.2	Confident	182 Å²	182	125.4 Å²	125.4	95%	0.953	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-21.4	178.4	-170.1	66.3	0	0	0	113.7	E90	L88-E90 VanDerWaalsContact C-N 3.32Å
89	T	91.4	Very high	89	Confident	130 Å²	130	127.1 Å²	127.1	80%	0.798	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-23.8	175.4	50.1	0	0	0	0	113.2	P87 P91	P87-T89 PolarHBondContact O-N 3.21Å; T89-P91 WeakPolarHBondContact O-CD 3.25Å
90	E	89.2	Confident	88.9	Confident	75 Å²	75	126.7 Å²	126.7	35%	0.35	66%	0.655	S	S	.	*	S	Bend	trans	-84.6	117.7	174.1	-172.6	166.6	-172.1	0	0	109.7	P87 L88 K94	P87-E90 HydrophobicContact CG-CB 4.41Å; P87-E90 PolarHBondContact O-N 3.49Å; L88-E90 VanDerWaalsContact C-N 3.32Å; E90-K94 WeakPolarHBondContact OE1-CE 3.34Å; E90-K94 IonicContact OE1-NZ 3.02Å; E90-K94 PolarHBondContact OE1-NZ 3.06Å
91	P	90.1	Very high	88.8	Confident	62 Å²	62	123.3 Å²	123.3	40%	0.403	63%	0.631	S	S	.	*			trans	-72.4	134.5	-178.6	29.4	-34.4	0	0	0	110.9	T89 I93	T89-P91 WeakPolarHBondContact O-CD 3.25Å; P91-I93 VanDerWaalsContact C-N 3.25Å; P91-I93 PolarHBondContact O-N 3.47Å
92	I	90.8	Very high	88.7	Confident	150 Å²	150	117.3 Å²	117.3	77%	0.769	60%	0.604	S	S	*	*	S	Bend	trans	-55.8	-41.2	175.9	-58.2	173.5	0	0	0	111.3
93	I	91.5	Very high	88.5	Confident	151 Å²	151	111.5 Å²	111.5	77%	0.774	58%	0.578	S	S	*	*	S	Bend	trans	-107.7	109.8	172.8	-58.6	176	0	0	0	107.8	P91	P91-I93 VanDerWaalsContact C-N 3.25Å; P91-I93 PolarHBondContact O-N 3.47Å
94	K	89.4	Confident	88.2	Confident	145 Å²	145	105.1 Å²	105.1	63%	0.63	55%	0.549	S	S	*	.			trans	-64.3	124.6	-179.8	-67.6	-173.8	177.9	-171.9	0	109.9	E90	E90-K94 WeakPolarHBondContact OE1-CE 3.34Å; E90-K94 IonicContact OE1-NZ 3.02Å; E90-K94 PolarHBondContact OE1-NZ 3.06Å
95	P	90.3	Very high	88.1	Confident	78 Å²	78	101.3 Å²	101.3	51%	0.506	53%	0.526	S	S	.	.			trans	-66.2	145.3	175.2	28.2	-34.3	0	0	0	109.9	K97	P95-K97 HydrophobicContact CG-CG 4.41Å; P95-K97 PolarHBondContact O-N 3.42Å
96	V	89.1	Confident	87.6	Confident	129 Å²	129	103.4 Å²	103.4	78%	0.782	53%	0.526	S	S	*	.			trans	-68.6	107.6	173.1	-176	0	0	0	0	108
97	K	83.4	Confident	87.4	Confident	173 Å²	173	108 Å²	108	75%	0.752	55%	0.548	S	S	*	.			trans	-108	122.4	175	-68	-178.7	179.5	179.4	0	108.5	P95	P95-K97 HydrophobicContact CG-CG 4.41Å; P95-K97 PolarHBondContact O-N 3.42Å
98	H	83.1	Confident	87.4	Confident	170 Å²	170	108.7 Å²	108.7	79%	0.787	55%	0.547	S	S	*	.			trans	-87.3	117.9	167.1	-66.4	-81.8	0	0	0	107.8
99	K	83.3	Confident	87.5	Confident	96 Å²	96	101 Å²	101	42%	0.417	51%	0.508	S	S	.	.			trans	-81.6	121.5	173.9	-62.1	-175.8	-175.1	-170.2	0	107.7	F101 E649	K99-F101 HydrophobicContact CB-CE2 3.99Å; K99-F101 HydrophobicContact CB-CZ 4.31Å; K99-F101 HydrophobicContact CD-CE2 4.43Å; K99-F101 HydrophobicContact CD-CZ 4.49Å; K99-E649 WeakPolarHBondContact CE-OE1 3.34Å; K99-E649 WeakPolarHBondContact CE-OE2 3.38Å; K99-E649 IonicContact NZ-OE1 2.84Å; K99-E649 PolarHBondContact NZ-OE1 3.31Å; K99-E649 IonicContact NZ-OE2 3.96Å; K99-E649 PolarHBondContact NZ-OE2 2.93Å
100	Q	86.7	Confident	87.5	Confident	94 Å²	94	97.1 Å²	97.1	44%	0.439	49%	0.489	S	S	.	.			trans	-135.8	119.7	175.4	-171.6	173.1	17.7	0	0	106.6	T102 F171	Q100-T102 VanDerWaalsContact CG-O 3.29Å; Q100-T102 WeakPolarHBondContact CG-O 3.31Å; Q100-T102 PolarHBondContact NE2-O 3.41Å; Q100-F171 HydrophobicContact CG-CE2 4.39Å; Q100-F171 VanDerWaalsContact O-CE2 3.29Å; Q100-F171 WeakPolarHBondContact O-CE2 3.41Å
101	F	88.3	Confident	87.8	Confident	36 Å²	36	95.1 Å²	95.1	16%	0.158	48%	0.482	C	S	.	.			trans	-112.3	-12.6	178.9	-59.9	-68.4	0	0	0	113	K99 F171 E484 K645 M646	K99-F101 HydrophobicContact CB-CE2 3.99Å; K99-F101 HydrophobicContact CB-CZ 4.31Å; K99-F101 HydrophobicContact CD-CE2 4.43Å; K99-F101 HydrophobicContact CD-CZ 4.49Å; F101-F171 WeakPolarHBondContact O-CD2 3.32Å; F101-F171 PolarHBondContact O-N 3.49Å; F101-E484 VanDerWaalsContact CD2-O 3.29Å; F101-E484 WeakPolarHBondContact CD2-O 3.5Å; F101-E484 PolarHBondContact N-O 3.08Å; F101-K645 WeakPolarHBondContact CE1-O 3.44Å; F101-K645 VanDerWaalsContact CZ-O 3.32Å; F101-K645 WeakPolarHBondContact CZ-O 3.44Å; F101-M646 HydrophobicContact CB-CE 3.87Å; F101-M646 HydrophobicContact CB-CG 4.29Å; F101-M646 HydrophobicContact CB-SD 4.43Å; F101-M646 HydrophobicContact CD1-CG 3.82Å; F101-M646 HydrophobicContact CD2-CB 4.4Å; F101-M646 HydrophobicContact CD2-CE 4.45Å; F101-M646 HydrophobicContact CD2-CG 4.28Å; F101-M646 HydrophobicContact CE1-CG 4.18Å; F101-M646 HydrophobicContact CE2-CB 4.41Å; F101-M646 HydrophobicContact CG-CB 4.48Å; F101-M646 HydrophobicContact CG-CE 4.24Å; F101-M646 HydrophobicContact CG-CG 3.88Å
102	T	88.3	Confident	88	Confident	9 Å²	9	96.6 Å²	96.6	6%	0.055	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-124.6	146.9	-179.4	47.6	0	0	0	0	111.2	Q100 M104 I169 L170 E484	Q100-T102 VanDerWaalsContact CG-O 3.29Å; Q100-T102 WeakPolarHBondContact CG-O 3.31Å; Q100-T102 PolarHBondContact NE2-O 3.41Å; T102-M104 PolarHBondContact O-N 3.31Å; T102-M104 WeakPolarHBondContact OG1-CG 3.29Å; T102-I169 CarbonylContact C-O 3.59Å; T102-I169 VanDerWaalsContact CA-O 3.31Å; T102-I169 WeakPolarHBondContact CA-O 3.28Å; T102-I169 HydrophobicContact CG2-CD1 4.33Å; T102-I169 HydrophobicContact CG2-CG1 4.38Å; T102-L170 HydrophobicContact CG2-CD2 3.46Å; T102-L170 VanDerWaalsContact CG2-CD2 3.46Å; T102-L170 HydrophobicContact CG2-CG 4.27Å; T102-E484 WeakPolarHBondContact OG1-CG 3.36Å
103	L	86.9	Confident	88.1	Confident	54 Å²	54	90.3 Å²	90.3	28%	0.283	46%	0.456	S	S	.	.			trans	-80.4	89.6	165.8	-74.2	-169.5	0	0	0	109.7	I169 F171	L103-I169 PolarHBondContact N-O 3.13Å; L103-F171 HydrophobicContact CD2-CD1 4.49Å; L103-F171 HydrophobicContact CD2-CE1 3.4Å; L103-F171 HydrophobicContact CD2-CZ 3.75Å; L103-F171 HydrophobicContact CG-CD1 4.37Å; L103-F171 HydrophobicContact CG-CE1 3.67Å; L103-F171 HydrophobicContact CG-CZ 4.27Å
104	M	84.6	Confident	88.3	Confident	31 Å²	31	89.2 Å²	89.2	15%	0.153	45%	0.452	C	S	.	.			trans	-110.4	141.1	174.3	-66.7	-68.6	-75.8	0	0	110.7	T102 E484 R535 Q537	T102-M104 PolarHBondContact O-N 3.31Å; T102-M104 WeakPolarHBondContact OG1-CG 3.29Å; M104-E484 HydrophobicContact CB-CG 4.05Å; M104-E484 WeakPolarHBondContact CB-OE1 3.34Å; M104-E484 HydrophobicContact CG-CG 3.73Å; M104-E484 WeakPolarHBondContact CG-OE1 3.48Å; M104-R535 CarbonylContact C-O 3.59Å; M104-R535 VanDerWaalsContact CA-O 3.28Å; M104-R535 WeakPolarHBondContact CA-O 3.46Å; M104-Q537 HydrophobicContact CE-CG 3.89Å; M104-Q537 VanDerWaalsContact CE-NE2 3.34Å
105	E	84	Confident	88.4	Confident	73 Å²	73	84.6 Å²	84.6	34%	0.341	43%	0.433	S	S	.	.			trans	-101.7	121.6	175.7	-65.7	176	-167.3	0	0	108.1	R535	E105-R535 HydrophobicContact CG-CB 4.33Å; E105-R535 PolarHBondContact N-O 2.84Å
106	Q	78.1	Confident	88.6	Confident	181 Å²	181	88.5 Å²	88.5	85%	0.846	45%	0.445	S	S	*	.	S	Bend	trans	-78.5	-28	-178.7	-65.9	-174.2	-4	0	0	112.7
107	E	87	Confident	88.9	Confident	170 Å²	170	86.4 Å²	86.4	79%	0.794	43%	0.425	S	S	*	.	S	Bend	trans	-96.1	143.5	177.6	-66	-173.7	173.1	0	0	110.2	P109	E107-P109 WeakPolarHBondContact O-CD 3.46Å
108	L	89.5	Confident	89.5	Confident	93 Å²	93	78.3 Å²	78.3	49%	0.487	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-73.5	123.8	177.3	-62.9	176.7	0	0	0	109.9	Y536 I538	L108-Y536 HydrophobicContact CD2-CD2 3.46Å; L108-Y536 VanDerWaalsContact CD2-CD2 3.46Å; L108-Y536 HydrophobicContact CD2-CE2 3.96Å; L108-Y536 HydrophobicContact CD2-CG 4.38Å; L108-I538 HydrophobicContact CD2-CG1 4.19Å
109	P	91.9	Very high	90	Very high	21 Å²	21	72.1 Å²	72.1	14%	0.136	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-70.8	158	177.7	29.4	-34.9	0	0	0	111.8	E107 T111 I156 Y536	E107-P109 WeakPolarHBondContact O-CD 3.46Å; P109-T111 PolarHBondContact O-N 3.28Å; P109-I156 HydrophobicContact CB-CD1 4.26Å; P109-I156 HydrophobicContact CG-CD1 4.39Å; P109-Y536 VanDerWaalsContact CD-CD1 3.5Å; P109-Y536 HydrophobicContact CG-CD1 3.5Å; P109-Y536 VanDerWaalsContact CG-CD1 3.5Å; P109-Y536 HydrophobicContact CG-CE1 3.36Å; P109-Y536 HydrophobicContact CG-CG 4.2Å
110	A	92.4	Very high	90.6	Very high	48 Å²	48	72.8 Å²	72.8	40%	0.397	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-71	124.5	175.9	0	0	0	0	0	111.6	P154	A110-P154 WeakPolarHBondContact O-CD 3.42Å
111	T	94.6	Very high	91	Very high	33 Å²	33	68.9 Å²	68.9	20%	0.202	36%	0.358	C	S	.	.			trans	-107.2	160.8	178.6	43.9	0	0	0	0	112.1	P109 Y113 M115 T152 H153	P109-T111 PolarHBondContact O-N 3.28Å; T111-Y113 VanDerWaalsContact C-N 3.26Å; T111-Y113 WeakPolarHBondContact CB-O 3.5Å; T111-Y113 HydrophobicContact CG2-CE2 4.25Å; T111-Y113 PolarHBondContact OG1-O 2.87Å; T111-M115 HydrophobicContact CG2-CE 3.78Å; T111-T152 CarbonylContact C-O 3.56Å; T111-T152 WeakPolarHBondContact CA-O 3.37Å; T111-H153 WeakPolarHBondContact CG2-NE2 3.3Å
112	V	94.3	Very high	91.4	Very high	94 Å²	94	67.3 Å²	67.3	57%	0.57	35%	0.352	S	S	*	.	S	Bend	trans	-72.9	-18.1	171.6	-62.9	0	0	0	0	113.5	T152 P154	V112-T152 PolarHBondContact N-O 2.71Å; V112-P154 HydrophobicContact CG1-CG 3.72Å
113	Y	94.1	Very high	91.7	Very high	18 Å²	18	70.2 Å²	70.2	7%	0.071	37%	0.367	C	S	.	.	S	Bend	trans	-116.8	156.2	177.2	55.8	-99.3	0	0	0	110.5	T111 M115 L118 T152 M187 V188	T111-Y113 VanDerWaalsContact C-N 3.26Å; T111-Y113 WeakPolarHBondContact CB-O 3.5Å; T111-Y113 HydrophobicContact CG2-CE2 4.25Å; T111-Y113 PolarHBondContact OG1-O 2.87Å; Y113-M115 HydrophobicContact CE2-SD 4.4Å; Y113-L118 HydrophobicContact CD2-CB 4.43Å; Y113-L118 HydrophobicContact CE2-CB 4.3Å; Y113-L118 HydrophobicContact CE2-CD1 3.67Å; Y113-T152 HydrophobicContact CE1-CG2 4.05Å; Y113-M187 WeakPolarHBondContact OH-CA 3.44Å; Y113-V188 HydrophobicContact CD1-CB 3.7Å; Y113-V188 HydrophobicContact CD1-CG2 4.33Å; Y113-V188 HydrophobicContact CD2-CB 4.28Å; Y113-V188 HydrophobicContact CD2-CG2 4.02Å; Y113-V188 HydrophobicContact CE1-CB 3.89Å; Y113-V188 HydrophobicContact CE1-CG2 4.38Å; Y113-V188 HydrophobicContact CE2-CB 4.48Å; Y113-V188 HydrophobicContact CE2-CG2 4.11Å; Y113-V188 HydrophobicContact CG-CB 3.91Å; Y113-V188 HydrophobicContact CG-CG2 4.14Å
114	D	94.3	Very high	92	Very high	127 Å²	127	68.8 Å²	68.8	68%	0.679	37%	0.366	S	S	*	.			trans	-81.4	145.4	175.7	-64.1	-42.4	0	0	0	111.3	E116 F117 L118	D114-E116 VanDerWaalsContact C-N 3.25Å; D114-E116 PolarHBondContact O-N 3.16Å; D114-F117 HydrophobicContact CB-CB 4.44Å; D114-F117 WeakPolarHBondContact O-CB 3.37Å; D114-F117 PolarHBondContact O-N 3.35Å; D114-F117 VanDerWaalsContact O-N 3.11Å; D114-L118 PolarHBondContact O-N 2.98Å; D114-L118 VanDerWaalsContact O-N 3.16Å
115	M	92.9	Very high	92.3	Very high	48 Å²	48	68.1 Å²	68.1	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-66.6	-28.1	179.3	-60.1	-61	178.2	0	0	112.5	T111 Y113 F117 L118 A119 Y536 I538	T111-M115 HydrophobicContact CG2-CE 3.78Å; Y113-M115 HydrophobicContact CE2-SD 4.4Å; M115-F117 VanDerWaalsContact C-N 3.35Å; M115-L118 WeakPolarHBondContact O-CB 3.32Å; M115-L118 PolarHBondContact O-N 3.11Å; M115-A119 PolarHBondContact O-N 3.11Å; M115-A119 VanDerWaalsContact O-N 3.08Å; M115-Y536 HydrophobicContact CE-CE2 4.36Å; M115-I538 HydrophobicContact CE-CD1 4.47Å; M115-I538 HydrophobicContact SD-CD1 3.7Å; M115-I538 HydrophobicContact SD-CG1 4.36Å
116	E	93.6	Very high	92.8	Very high	161 Å²	161	70.7 Å²	70.7	75%	0.752	38%	0.375	S	S	*	.	H	α-helix	trans	-63.7	-41.8	171.6	-66.5	-177.8	177	0	0	111	D114 L118 A119 D120	D114-E116 VanDerWaalsContact C-N 3.25Å; D114-E116 PolarHBondContact O-N 3.16Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.85Å; E116-A119 PolarHBondContact O-N 2.91Å; E116-A119 VanDerWaalsContact O-N 3.16Å; E116-D120 PolarHBondContact O-N 3.13Å
117	F	95.9	Very high	93.7	Very high	84 Å²	84	64 Å²	64	37%	0.368	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-35	176.6	-177.7	-117.1	0	0	0	112.2	D114 M115 D120 L121 V188	D114-F117 HydrophobicContact CB-CB 4.44Å; D114-F117 WeakPolarHBondContact O-CB 3.37Å; D114-F117 PolarHBondContact O-N 3.35Å; D114-F117 VanDerWaalsContact O-N 3.11Å; M115-F117 VanDerWaalsContact C-N 3.35Å; F117-D120 PolarHBondContact O-N 3.18Å; F117-L121 HydrophobicContact CD1-CD1 4.14Å; F117-L121 HydrophobicContact CE1-CD1 3.69Å; F117-L121 HydrophobicContact CE1-CG 4.32Å; F117-L121 HydrophobicContact CE2-CD2 4.45Å; F117-L121 HydrophobicContact CE2-CG 4.3Å; F117-L121 HydrophobicContact CZ-CD1 3.89Å; F117-L121 HydrophobicContact CZ-CD2 4.24Å; F117-L121 HydrophobicContact CZ-CG 4.11Å; F117-L121 WeakPolarHBondContact O-CG 3.4Å; F117-L121 PolarHBondContact O-N 2.89Å; F117-V188 HydrophobicContact CD1-CG1 4.36Å; F117-V188 HydrophobicContact CE1-CG1 3.94Å
118	L	95.6	Very high	94.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-46.5	171.9	-176.8	153	0	0	0	110.8	Y113 D114 M115 E116 L121 M122 T186 V188 L198 I538	Y113-L118 HydrophobicContact CD2-CB 4.43Å; Y113-L118 HydrophobicContact CE2-CB 4.3Å; Y113-L118 HydrophobicContact CE2-CD1 3.67Å; D114-L118 PolarHBondContact O-N 2.98Å; D114-L118 VanDerWaalsContact O-N 3.16Å; M115-L118 WeakPolarHBondContact O-CB 3.32Å; M115-L118 PolarHBondContact O-N 3.11Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.85Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-M122 HydrophobicContact CD2-CG 4.33Å; L118-M122 HydrophobicContact CD2-SD 3.7Å; L118-M122 WeakPolarHBondContact O-CG 3.17Å; L118-M122 PolarHBondContact O-N 2.86Å; L118-M122 VanDerWaalsContact O-N 3.15Å; L118-T186 HydrophobicContact CD1-CG2 4.43Å; L118-V188 HydrophobicContact CB-CG2 4.11Å; L118-V188 HydrophobicContact CD1-CG2 4.31Å; L118-V188 HydrophobicContact CG-CG2 4.21Å; L118-L198 HydrophobicContact CD1-CD1 4.33Å; L118-L198 HydrophobicContact CD2-CD1 4.36Å; L118-L198 HydrophobicContact CG-CD1 3.77Å; L118-I538 HydrophobicContact CD1-CD1 4.22Å
119	A	94.4	Very high	94.6	Very high	40 Å²	40	52.1 Å²	52.1	33%	0.331	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-40	177.7	0	0	0	0	0	112.6	M115 E116 L121 M122 D123	M115-A119 PolarHBondContact O-N 3.11Å; M115-A119 VanDerWaalsContact O-N 3.08Å; E116-A119 PolarHBondContact O-N 2.91Å; E116-A119 VanDerWaalsContact O-N 3.16Å; A119-L121 VanDerWaalsContact C-N 3.31Å; A119-L121 PolarHBondContact O-N 3.01Å; A119-M122 VanDerWaalsContact O-CB 3.31Å; A119-M122 WeakPolarHBondContact O-CB 3.3Å; A119-M122 PolarHBondContact O-N 3.39Å; A119-M122 VanDerWaalsContact O-N 3.12Å; A119-D123 PolarHBondContact O-N 3.05Å
120	D	95.8	Very high	94.9	Very high	111 Å²	111	51.1 Å²	51.1	59%	0.594	28%	0.28	S	S	*	.	H	α-helix	trans	-63.5	-36.6	175.5	-72.9	-18.9	0	0	0	112	E116 F117 M122 D123	E116-D120 PolarHBondContact O-N 3.13Å; F117-D120 PolarHBondContact O-N 3.18Å; D120-M122 VanDerWaalsContact C-N 3.3Å; D120-M122 PolarHBondContact O-N 3Å; D120-D123 PolarHBondContact O-N 3.38Å
121	L	95.6	Very high	95.1	Very high	11 Å²	11	48.9 Å²	48.9	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-69.3	-27.7	174.8	-73.3	176.7	0	0	0	112.7	F117 L118 A119 D123 G124 L127 V188 L198	F117-L121 HydrophobicContact CD1-CD1 4.14Å; F117-L121 HydrophobicContact CE1-CD1 3.69Å; F117-L121 HydrophobicContact CE1-CG 4.32Å; F117-L121 HydrophobicContact CE2-CD2 4.45Å; F117-L121 HydrophobicContact CE2-CG 4.3Å; F117-L121 HydrophobicContact CZ-CD1 3.89Å; F117-L121 HydrophobicContact CZ-CD2 4.24Å; F117-L121 HydrophobicContact CZ-CG 4.11Å; F117-L121 WeakPolarHBondContact O-CG 3.4Å; F117-L121 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 3.45Å; A119-L121 VanDerWaalsContact C-N 3.31Å; A119-L121 PolarHBondContact O-N 3.01Å; L121-D123 VanDerWaalsContact C-N 3.27Å; L121-D123 PolarHBondContact O-N 2.77Å; L121-G124 PolarHBondContact O-N 3.06Å; L121-G124 VanDerWaalsContact O-N 3.17Å; L121-L127 HydrophobicContact CD2-CB 4.32Å; L121-L127 HydrophobicContact CD2-CD1 3.7Å; L121-V188 HydrophobicContact CD1-CB 4.41Å; L121-V188 HydrophobicContact CD1-CG1 3.64Å; L121-V188 HydrophobicContact CD1-CG2 3.84Å; L121-L198 HydrophobicContact CB-CB 4.14Å
122	M	95.8	Very high	95.3	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.02	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-32.4	174.9	-66.8	165.7	52.8	0	0	111.9	L118 A119 D120 G124 L198 I531 V543 P544 N547	L118-M122 HydrophobicContact CD2-CG 4.33Å; L118-M122 HydrophobicContact CD2-SD 3.7Å; L118-M122 WeakPolarHBondContact O-CG 3.17Å; L118-M122 PolarHBondContact O-N 2.86Å; L118-M122 VanDerWaalsContact O-N 3.15Å; A119-M122 VanDerWaalsContact O-CB 3.31Å; A119-M122 WeakPolarHBondContact O-CB 3.3Å; A119-M122 PolarHBondContact O-N 3.39Å; A119-M122 VanDerWaalsContact O-N 3.12Å; D120-M122 VanDerWaalsContact C-N 3.3Å; D120-M122 PolarHBondContact O-N 3Å; M122-G124 PolarHBondContact O-N 3Å; M122-L198 HydrophobicContact CB-CD2 4.4Å; M122-L198 HydrophobicContact CG-CD2 3.6Å; M122-I531 HydrophobicContact CE-CD1 3.62Å; M122-I531 HydrophobicContact CE-CG1 3.92Å; M122-I531 HydrophobicContact SD-CD1 4.2Å; M122-I531 HydrophobicContact SD-CG1 3.98Å; M122-V543 HydrophobicContact CE-CB 4.41Å; M122-V543 HydrophobicContact CE-CG1 3.99Å; M122-V543 HydrophobicContact CE-CG2 4.13Å; M122-P544 HydrophobicContact CB-CG 4.26Å; M122-P544 VanDerWaalsContact O-CG 3.27Å; M122-P544 WeakPolarHBondContact O-CG 3.41Å; M122-N547 WeakPolarHBondContact CG-OD1 3.5Å; M122-N547 PolarHBondContact O-ND2 2.71Å
123	D	94.3	Very high	95.5	Very high	69 Å²	69	42.8 Å²	42.8	37%	0.369	22%	0.224	S	C	.	.	H	α-helix	trans	-71.4	-21.2	176.4	-71.6	-18.8	0	0	0	111.9	A119 D120 L121 T125 R542	A119-D123 PolarHBondContact O-N 3.05Å; D120-D123 PolarHBondContact O-N 3.38Å; L121-D123 VanDerWaalsContact C-N 3.27Å; L121-D123 PolarHBondContact O-N 2.77Å; D123-T125 PolarHBondContact O-N 3.36Å; D123-R542 IonicContact OD1-CZ 2.81Å; D123-R542 IonicContact OD1-NH2 3.57Å; D123-R542 PolarHBondContact OD1-NH2 3.21Å; D123-R542 IonicContact OD2-NH2 2.69Å; D123-R542 PolarHBondContact OD2-NH2 3.41Å
124	G	93.1	Very high	95.6	Very high	25 Å²	25	42 Å²	42	26%	0.258	22%	0.221	S	C	.	.			trans	-93	84.4	179.2	0	0	0	0	0	113.5	L121 M122 E126 L127	L121-G124 PolarHBondContact O-N 3.06Å; L121-G124 VanDerWaalsContact O-N 3.17Å; M122-G124 PolarHBondContact O-N 3Å; G124-E126 PolarHBondContact O-N 2.87Å; G124-L127 WeakPolarHBondContact O-CB 3.37Å; G124-L127 PolarHBondContact O-N 3.48Å
125	T	91.2	Very high	95.7	Very high	17 Å²	17	35.9 Å²	35.9	10%	0.104	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-53.9	-31.7	-174.7	58.3	0	0	0	0	115.1	D123 L127 P440 P469 A545	D123-T125 PolarHBondContact O-N 3.36Å; T125-L127 VanDerWaalsContact C-N 3.31Å; T125-L127 PolarHBondContact O-N 3.34Å; T125-P440 WeakPolarHBondContact O-CD 3.18Å; T125-P469 HydrophobicContact CG2-CG 4.21Å; T125-A545 WeakPolarHBondContact CG2-O 3.46Å
126	E	94.8	Very high	95.9	Very high	126 Å²	126	33.9 Å²	33.9	59%	0.589	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-69.1	-24.7	176.1	-66.8	-172.2	169.4	0	0	114.3	G124 R129	G124-E126 PolarHBondContact O-N 2.87Å; E126-R129 PolarHBondContact O-NH1 2.97Å
127	L	96.5	Very high	96	Very high	40 Å²	40	26.7 Å²	26.7	21%	0.209	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-92.4	-0.2	-174.7	-56.5	-178.5	0	0	0	113.1	L121 G124 T125 K195 Y197 L198	L121-L127 HydrophobicContact CD2-CB 4.32Å; L121-L127 HydrophobicContact CD2-CD1 3.7Å; G124-L127 WeakPolarHBondContact O-CB 3.37Å; G124-L127 PolarHBondContact O-N 3.48Å; T125-L127 VanDerWaalsContact C-N 3.31Å; T125-L127 PolarHBondContact O-N 3.34Å; L127-K195 VanDerWaalsContact CD2-NZ 3.25Å; L127-Y197 HydrophobicContact CB-CD1 4.38Å; L127-Y197 HydrophobicContact CD2-CD1 4.28Å; L127-Y197 HydrophobicContact CD2-CE1 3.96Å; L127-Y197 WeakPolarHBondContact O-CA 3.29Å; L127-Y197 WeakPolarHBondContact O-CD1 3.36Å; L127-L198 PolarHBondContact O-N 3.08Å
128	I	97.3	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.4	179.6	-54.1	170	0	0	0	109.4	L198 P440 N547	I128-L198 CarbonylContact C-O 3.54Å; I128-L198 WeakPolarHBondContact CA-O 3.43Å; I128-L198 HydrophobicContact CD1-CD2 4.47Å; I128-L198 HydrophobicContact CG1-CB 4.27Å; I128-L198 HydrophobicContact CG1-CD2 4.01Å; I128-L198 HydrophobicContact CG2-CD2 4.34Å; I128-P440 HydrophobicContact CB-CG 3.93Å; I128-P440 HydrophobicContact CG2-CG 3.95Å; I128-P440 WeakPolarHBondContact O-CD 3.26Å; I128-N547 WeakPolarHBondContact CD1-ND2 3.32Å; I128-N547 WeakPolarHBondContact CD1-OD1 3.13Å
129	R	97.9	Very high	95.9	Very high	15 Å²	15	27.6 Å²	27.6	6%	0.057	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.1	167.8	-68.5	-62.7	-178.9	-78.9	3.2	109.8	E126 V131 L198 F199 N200 V434 I437	E126-R129 PolarHBondContact O-NH1 2.97Å; R129-V131 HydrophobicContact CB-CG2 3.99Å; R129-L198 PolarHBondContact N-O 3.42Å; R129-F199 HydrophobicContact CB-CD1 4.21Å; R129-F199 HydrophobicContact CB-CE1 4.09Å; R129-F199 HydrophobicContact CB-CZ 4.25Å; R129-F199 HydrophobicContact CG-CZ 4.27Å; R129-N200 PolarHBondContact O-N 2.84Å; R129-V434 HydrophobicContact CG-CG2 4.46Å; R129-V434 PolarHBondContact NH2-O 3.06Å; R129-V434 VanDerWaalsContact NH2-O 3.15Å; R129-I437 WeakPolarHBondContact CD-O 3.45Å; R129-I437 PolarHBondContact NE-O 2.88Å
130	N	98.1	Very high	95.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107.3	173.5	-59.4	-39.2	0	0	0	109.1	N200 D222 G223 P440 G546 W548	N130-N200 VanDerWaalsContact OD1-CB 3.3Å; N130-N200 WeakPolarHBondContact OD1-CB 3.45Å; N130-N200 PolarHBondContact OD1-ND2 3.07Å; N130-D222 WeakPolarHBondContact CB-OD2 3.26Å; N130-D222 PolarHBondContact ND2-OD2 2.9Å; N130-D222 PolarHBondContact O-N 3.23Å; N130-G223 PolarHBondContact O-N 2.92Å; N130-P440 WeakPolarHBondContact ND2-CG 3.13Å; N130-G546 PolarHBondContact ND2-O 3.35Å; N130-G546 PolarHBondContact OD1-O 3.45Å; N130-W548 HydrophobicContact CB-CZ2 3.84Å
131	V	98	Very high	95.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.2	-168	-175.3	0	0	0	0	110.5	R129 L133 F199 N200 I201 M202 V225 I437	R129-V131 HydrophobicContact CB-CG2 3.99Å; V131-L133 HydrophobicContact CG1-CD2 4.08Å; V131-F199 HydrophobicContact CG2-CD1 4.3Å; V131-F199 HydrophobicContact CG2-CE1 4.32Å; V131-N200 PolarHBondContact N-O 2.72Å; V131-I201 CarbonylContact O-C 3.6Å; V131-I201 WeakPolarHBondContact O-CA 3.47Å; V131-M202 PolarHBondContact O-N 3.3Å; V131-V225 HydrophobicContact CG1-CB 4.32Å; V131-V225 HydrophobicContact CG1-CG2 3.39Å; V131-I437 HydrophobicContact CB-CD1 4.31Å; V131-I437 HydrophobicContact CG1-CD1 3.8Å; V131-I437 HydrophobicContact CG2-CD1 3.67Å; V131-I437 HydrophobicContact CG2-CG2 4.48Å
132	T	98.2	Very high	95.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126	169.3	-61.4	0	0	0	0	110.2	C134 M202 T204 S217 S221 G223 V224 V225	T132-C134 HydrophobicContact CG2-CB 4.41Å; T132-M202 HydrophobicContact CG2-CB 4.48Å; T132-T204 HydrophobicContact CG2-CG2 3.43Å; T132-T204 VanDerWaalsContact CG2-CG2 3.43Å; T132-S217 PolarHBondContact OG1-O 3.49Å; T132-S217 VanDerWaalsContact OG1-O 3.13Å; T132-S221 VanDerWaalsContact OG1-CB 3.25Å; T132-S221 WeakPolarHBondContact OG1-CB 3.49Å; T132-S221 PolarHBondContact OG1-OG 3.33Å; T132-G223 PolarHBondContact N-O 3.24Å; T132-V224 WeakPolarHBondContact O-CA 3.45Å; T132-V225 PolarHBondContact O-N 2.73Å
133	L	98.2	Very high	95.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.2	168.4	-46.3	-173.4	0	0	0	108.1	V131 F144 V145 I201 M202 T204 V225 F227 F429	V131-L133 HydrophobicContact CG1-CD2 4.08Å; L133-F144 HydrophobicContact CD1-CD1 4.49Å; L133-V145 HydrophobicContact CD1-CG2 3.46Å; L133-V145 VanDerWaalsContact CD1-CG2 3.46Å; L133-I201 HydrophobicContact CD1-CG2 3.62Å; L133-I201 HydrophobicContact CD2-CG2 4.01Å; L133-I201 HydrophobicContact CG-CG2 3.57Å; L133-M202 PolarHBondContact N-O 2.84Å; L133-T204 PolarHBondContact O-N 3.44Å; L133-T204 PolarHBondContact O-OG1 2.79Å; L133-V225 HydrophobicContact CD2-CB 3.86Å; L133-V225 HydrophobicContact CD2-CG1 4.47Å; L133-V225 HydrophobicContact CD2-CG2 4.14Å; L133-F227 HydrophobicContact CB-CD2 4.28Å; L133-F227 HydrophobicContact CB-CE2 3.86Å; L133-F227 HydrophobicContact CD1-CE2 4.14Å; L133-F227 HydrophobicContact CD1-CZ 4.34Å; L133-F227 HydrophobicContact CD2-CE2 3.97Å; L133-F227 HydrophobicContact CG-CE2 4.18Å; L133-F429 HydrophobicContact CD2-CE2 4.18Å; L133-F429 HydrophobicContact CD2-CZ 4.08Å
134	C	97.1	Very high	95.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	164	178.8	80.4	0	0	0	0	110.9	T132 T204 V214 M218 V224 V225 L226 F227 L241	T132-C134 HydrophobicContact CG2-CB 4.41Å; C134-T204 WeakPolarHBondContact CA-OG1 2.95Å; C134-V214 HydrophobicContact CB-CG1 3.77Å; C134-M218 HydrophobicContact CB-CE 4.47Å; C134-V224 HydrophobicContact CB-CG1 4.44Å; C134-V224 WeakPolarHBondContact SG-CG1 3.48Å; C134-V225 PolarHBondContact N-O 3.12Å; C134-L226 CarbonylContact O-C 3.51Å; C134-L226 WeakPolarHBondContact O-CA 3.37Å; C134-F227 PolarHBondContact O-N 3.45Å; C134-L241 HydrophobicContact CB-CD1 3.88Å
135	G	96.3	Very high	96.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.2	170.2	-177.6	0	0	0	0	0	111	K141 G206 L241	G135-K141 PolarHBondContact O-NZ 2.78Å; G135-G206 VanDerWaalsContact O-CA 3.28Å; G135-G206 WeakPolarHBondContact O-CA 3.35Å; G135-L241 VanDerWaalsContact N-CD1 3.34Å
136	H	96.9	Very high	96.2	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.028	9%	0.088	C	C	.	.	S	Bend	trans	-62.6	167.1	-176.3	-178.8	-90.9	0	0	0	113.8	H138 H139 K141 G206 M235 N237 L897	H136-H138 PolarHBondContact O-N 3.24Å; H136-H139 VanDerWaalsContact CB-CE1 3.49Å; H136-H139 WeakPolarHBondContact CB-CE1 3.3Å; H136-H139 AromaticContact CG-NE2 3.76Å; H136-H139 AromaticContact ND1-CD2 3.72Å; H136-H139 AromaticContact ND1-NE2 3.35Å; H136-H139 PolarHBondContact ND1-NE2 3.19Å; H136-H139 PolarHBondContact O-N 2.95Å; H136-K141 PolarHBondContact O-NZ 3.37Å; H136-G206 CarbonylContact C-O 3.55Å; H136-M235 HydrophobicContact CB-CB 4.13Å; H136-M235 VanDerWaalsContact CD2-CB 3.47Å; H136-M235 WeakPolarHBondContact CD2-CB 3.28Å; H136-N237 HydrophobicContact CB-CB 4.22Å; H136-L897 WeakPolarHBondContact NE2-CD1 3.29Å
137	L	94.8	Very high	96.3	Very high	10 Å²	10	11.6 Å²	11.6	5%	0.052	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	134	-177.9	-178.3	64.4	0	0	0	110.5	H139 V178 G206 H207 F895 L897	L137-H139 PolarHBondContact O-CD2 2.95Å; L137-H139 VanDerWaalsContact O-CD2 3.28Å; L137-H139 PolarHBondContact O-N 3.33Å; L137-V178 HydrophobicContact CD1-CG1 3.99Å; L137-V178 HydrophobicContact CD1-CG2 4.39Å; L137-G206 PolarHBondContact N-O 2.77Å; L137-G206 VanDerWaalsContact N-O 3.08Å; L137-H207 HydrophobicContact CD1-CB 4.09Å; L137-F895 HydrophobicContact CD2-CE1 3.64Å; L137-F895 HydrophobicContact CD2-CZ 3.43Å; L137-F895 VanDerWaalsContact CD2-CZ 3.43Å; L137-L897 HydrophobicContact CB-CD1 4.36Å; L137-L897 HydrophobicContact CD2-CD2 4.27Å
138	H	93.6	Very high	96.2	Very high	105 Å²	105	9.7 Å²	9.7	49%	0.486	5%	0.051	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	23.1	179.3	-55.9	-43.6	0	0	0	116.5	H136 G140 G177 K258	H136-H138 PolarHBondContact O-N 3.24Å; H138-G140 PolarHBondContact O-N 2.82Å; H138-G177 PolarHBondContact CE1-O 2.88Å; H138-G177 VanDerWaalsContact CE1-O 3.24Å; H138-K258 WeakPolarHBondContact O-CE 3.46Å; H138-K258 PolarHBondContact O-NZ 3.22Å
139	H	96.5	Very high	96.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-72.1	7.6	171	-75	-157.4	0	0	0	114.2	H136 L137 F227 I228 D229 E232 N257	H136-H139 VanDerWaalsContact CB-CE1 3.49Å; H136-H139 WeakPolarHBondContact CB-CE1 3.3Å; H136-H139 AromaticContact CG-NE2 3.76Å; H136-H139 AromaticContact ND1-CD2 3.72Å; H136-H139 AromaticContact ND1-NE2 3.35Å; H136-H139 PolarHBondContact ND1-NE2 3.19Å; H136-H139 PolarHBondContact O-N 2.95Å; L137-H139 PolarHBondContact O-CD2 2.95Å; L137-H139 VanDerWaalsContact O-CD2 3.28Å; L137-H139 PolarHBondContact O-N 3.33Å; H139-F227 HydrophobicContact CB-CB 4.22Å; H139-F227 PolarHBondContact ND1-O 3.46Å; H139-I228 WeakPolarHBondContact ND1-CA 3.37Å; H139-D229 PolarHBondContact CE1-N 3.23Å; H139-D229 PolarHBondContact ND1-N 3.44Å; H139-E232 IonicContact NE2-OE2 3.38Å; H139-N257 PolarHBondContact O-ND2 3.3Å
140	G	93.8	Very high	95.9	Very high	10 Å²	10	9.7 Å²	9.7	10%	0.103	5%	0.052	C	C	.	.	S	Bend	trans	84.6	28.6	169.7	0	0	0	0	0	115.9	H138 F144 N257 S311	H138-G140 PolarHBondContact O-N 2.82Å; G140-F144 WeakPolarHBondContact O-CB 3.08Å; G140-F144 PolarHBondContact O-N 2.94Å; G140-N257 WeakPolarHBondContact CA-ND2 3.2Å; G140-N257 PolarHBondContact O-ND2 2.93Å; G140-S311 PolarHBondContact O-OG 3.28Å
141	K	95.7	Very high	95.7	Very high	9 Å²	9	11.6 Å²	11.6	4%	0.039	6%	0.061	C	C	.	.	H	α-helix	trans	-61.8	-59.5	177.2	-59.6	-177.5	-66.3	-72.5	0	112.2	G135 H136 C143 F144 V145 D203 T204 F227	G135-K141 PolarHBondContact O-NZ 2.78Å; H136-K141 PolarHBondContact O-NZ 3.37Å; K141-C143 VanDerWaalsContact C-N 3.34Å; K141-C143 PolarHBondContact O-N 3.42Å; K141-F144 WeakPolarHBondContact O-CA 3.19Å; K141-F144 WeakPolarHBondContact O-CB 3.32Å; K141-F144 PolarHBondContact O-N 2.99Å; K141-V145 PolarHBondContact O-N 2.82Å; K141-D203 WeakPolarHBondContact CB-OD1 3.42Å; K141-T204 WeakPolarHBondContact CE-O 3.35Å; K141-F227 HydrophobicContact CG-CB 3.82Å; K141-F227 HydrophobicContact CG-CD1 4.38Å; K141-F227 HydrophobicContact CG-CD2 3.97Å; K141-F227 HydrophobicContact CG-CG 3.8Å
142	T	95.3	Very high	95.5	Very high	24 Å²	24	11.7 Å²	11.7	15%	0.147	6%	0.061	C	C	.	.	H	α-helix	trans	-54.1	-47.3	176.2	-44.3	0	0	0	0	111.9	F144 V145 D146 R165 T167 D203	T142-F144 PolarHBondContact O-N 3.48Å; T142-V145 PolarHBondContact O-N 3.37Å; T142-V145 VanDerWaalsContact O-N 3.11Å; T142-D146 PolarHBondContact O-N 3.28Å; T142-R165 HydrophobicContact CG2-CB 3.98Å; T142-R165 HydrophobicContact CG2-CG 4.16Å; T142-T167 WeakPolarHBondContact CG2-OG1 2.97Å; T142-D203 VanDerWaalsContact CA-OD2 3.27Å; T142-D203 WeakPolarHBondContact CA-OD2 3.47Å; T142-D203 PolarHBondContact OG1-OD2 3.48Å; T142-D203 VanDerWaalsContact OG1-OD2 3.1Å
143	C	94.1	Very high	95.3	Very high	19 Å²	19	11.7 Å²	11.7	13%	0.128	6%	0.061	C	C	.	.	H	α-helix	trans	-63.7	-26.8	175.6	-58	0	0	0	0	113.6	K141 D146 C147	K141-C143 VanDerWaalsContact C-N 3.34Å; K141-C143 PolarHBondContact O-N 3.42Å; C143-D146 WeakPolarHBondContact O-CB 3.47Å; C143-C147 PolarHBondContact O-N 2.8Å; C143-C147 PolarHBondContact O-SG 2.97Å
144	F	96.7	Very high	94.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-73.2	-40.4	174.6	-172.9	-87.8	0	0	0	110.8	L133 G140 K141 T142 D146 C147 L148 F227 A309 C316 F426 F429	L133-F144 HydrophobicContact CD1-CD1 4.49Å; G140-F144 WeakPolarHBondContact O-CB 3.08Å; G140-F144 PolarHBondContact O-N 2.94Å; K141-F144 WeakPolarHBondContact O-CA 3.19Å; K141-F144 WeakPolarHBondContact O-CB 3.32Å; K141-F144 PolarHBondContact O-N 2.99Å; T142-F144 PolarHBondContact O-N 3.48Å; F144-D146 VanDerWaalsContact C-N 3.3Å; F144-D146 PolarHBondContact O-N 3.37Å; F144-C147 WeakPolarHBondContact O-CB 3.42Å; F144-C147 PolarHBondContact O-N 3.36Å; F144-L148 HydrophobicContact CD1-CD1 4.13Å; F144-L148 HydrophobicContact CD1-CG 4.41Å; F144-L148 HydrophobicContact CE1-CD1 3.93Å; F144-L148 HydrophobicContact CE1-CD2 4.5Å; F144-L148 HydrophobicContact CE1-CG 4.24Å; F144-L148 PolarHBondContact O-N 3.45Å; F144-F227 HydrophobicContact CB-CE1 3.64Å; F144-F227 HydrophobicContact CB-CZ 3.91Å; F144-F227 HydrophobicContact CD1-CE1 4.12Å; F144-F227 AromaticContact CD1-CZ 3.62Å; F144-F227 HydrophobicContact CD1-CZ 3.62Å; F144-F227 AromaticContact CD2-CE1 3.74Å; F144-F227 HydrophobicContact CD2-CE1 3.74Å; F144-F227 HydrophobicContact CD2-CZ 4.04Å; F144-F227 HydrophobicContact CE1-CZ 4.1Å; F144-F227 HydrophobicContact CE2-CE1 4.41Å; F144-F227 HydrophobicContact CE2-CZ 4.48Å; F144-F227 AromaticContact CG-CE1 3.57Å; F144-F227 HydrophobicContact CG-CE1 3.57Å; F144-F227 AromaticContact CG-CZ 3.59Å; F144-F227 HydrophobicContact CG-CZ 3.59Å; F144-F227 HydrophobicContact CZ-CZ 4.5Å; F144-A309 HydrophobicContact CD2-CB 4.23Å; F144-A309 HydrophobicContact CE2-CB 3.92Å; F144-C316 HydrophobicContact CE2-CB 4.32Å; F144-F426 AromaticContact CD2-CE2 3.98Å; F144-F426 HydrophobicContact CD2-CE2 3.98Å; F144-F426 HydrophobicContact CE1-CD2 4.27Å; F144-F426 AromaticContact CE2-CD2 3.81Å; F144-F426 HydrophobicContact CE2-CD2 3.81Å; F144-F426 AromaticContact CE2-CE2 3.63Å; F144-F426 HydrophobicContact CE2-CE2 3.63Å; F144-F426 AromaticContact CZ-CD2 3.67Å; F144-F426 HydrophobicContact CZ-CD2 3.67Å; F144-F426 AromaticContact CZ-CE2 3.97Å; F144-F426 HydrophobicContact CZ-CE2 3.97Å; F144-F429 HydrophobicContact CE1-CD1 4.3Å; F144-F429 AromaticContact CE1-CD2 3.75Å; F144-F429 HydrophobicContact CE1-CD2 3.75Å; F144-F429 HydrophobicContact CE1-CE1 4.48Å; F144-F429 AromaticContact CE1-CE2 3.94Å; F144-F429 HydrophobicContact CE1-CE2 3.94Å; F144-F429 AromaticContact CE1-CG 3.94Å; F144-F429 HydrophobicContact CE1-CG 3.94Å; F144-F429 HydrophobicContact CE1-CZ 4.31Å; F144-F429 HydrophobicContact CZ-CB 3.97Å; F144-F429 AromaticContact CZ-CD2 3.74Å; F144-F429 HydrophobicContact CZ-CD2 3.74Å; F144-F429 HydrophobicContact CZ-CE2 4.37Å; F144-F429 AromaticContact CZ-CG 3.84Å; F144-F429 HydrophobicContact CZ-CG 3.84Å
145	V	96.6	Very high	94.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-38.4	171.5	-177.2	0	0	0	0	110.9	L133 K141 T142 C147 L148 I149 T167 V185 I201 D203	L133-V145 HydrophobicContact CD1-CG2 3.46Å; L133-V145 VanDerWaalsContact CD1-CG2 3.46Å; K141-V145 PolarHBondContact O-N 2.82Å; T142-V145 PolarHBondContact O-N 3.37Å; T142-V145 VanDerWaalsContact O-N 3.11Å; V145-C147 VanDerWaalsContact C-N 3.26Å; V145-C147 PolarHBondContact O-N 3.48Å; V145-L148 WeakPolarHBondContact O-CB 2.95Å; V145-L148 PolarHBondContact O-N 2.6Å; V145-I149 HydrophobicContact CG1-CG1 4.22Å; V145-I149 WeakPolarHBondContact O-CG1 3.42Å; V145-I149 PolarHBondContact O-N 2.88Å; V145-T167 HydrophobicContact CB-CG2 4.3Å; V145-T167 HydrophobicContact CG1-CG2 3.71Å; V145-V185 HydrophobicContact CG1-CG2 4.09Å; V145-I201 HydrophobicContact CG2-CG2 4.47Å; V145-D203 HydrophobicContact CG2-CB 4.16Å
146	D	94.8	Very high	94.2	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-54.9	-42.6	172.9	-67	-16.7	0	0	0	111.6	T142 C143 F144 L148 I149 E150 R165 Y166	T142-D146 PolarHBondContact O-N 3.28Å; C143-D146 WeakPolarHBondContact O-CB 3.47Å; F144-D146 VanDerWaalsContact C-N 3.3Å; F144-D146 PolarHBondContact O-N 3.37Å; D146-L148 VanDerWaalsContact C-N 3.35Å; D146-L148 PolarHBondContact O-N 3.35Å; D146-I149 PolarHBondContact O-N 2.97Å; D146-E150 WeakPolarHBondContact O-CB 3.47Å; D146-E150 VanDerWaalsContact O-CG 3.32Å; D146-E150 WeakPolarHBondContact O-CG 3.18Å; D146-E150 PolarHBondContact O-N 3.45Å; D146-R165 PolarHBondContact OD1-N 3.49Å; D146-R165 WeakPolarHBondContact OD2-CA 3.39Å; D146-R165 PolarHBondContact OD2-N 2.92Å; D146-Y166 VanDerWaalsContact OD1-CB 3.29Å; D146-Y166 WeakPolarHBondContact OD1-CB 3.44Å; D146-Y166 PolarHBondContact OD1-N 2.95Å
147	C	95	Very high	93.4	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-39	176.1	-69	0	0	0	0	112.6	C143 F144 V145 Q151 S311 S314 R416 F426	C143-C147 PolarHBondContact O-N 2.8Å; C143-C147 PolarHBondContact O-SG 2.97Å; F144-C147 WeakPolarHBondContact O-CB 3.42Å; F144-C147 PolarHBondContact O-N 3.36Å; V145-C147 VanDerWaalsContact C-N 3.26Å; V145-C147 PolarHBondContact O-N 3.48Å; C147-Q151 WeakPolarHBondContact O-CB 3.5Å; C147-Q151 PolarHBondContact O-N 3.03Å; C147-S311 PolarHBondContact SG-O 3.33Å; C147-S314 PolarHBondContact SG-OG 3.32Å; C147-S314 VanDerWaalsContact SG-OG 3.38Å; C147-R416 PolarHBondContact SG-NH2 2.83Å; C147-F426 HydrophobicContact CB-CD2 4.38Å; C147-F426 HydrophobicContact CB-CE1 4.22Å; C147-F426 HydrophobicContact CB-CE2 3.46Å; C147-F426 VanDerWaalsContact CB-CE2 3.46Å; C147-F426 HydrophobicContact CB-CZ 3.38Å
148	L	95.9	Very high	92.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-38.7	177	-63.4	176.9	0	0	0	111.7	F144 V145 D146 Q151 T152 M187 L189 I201 F426 F429	F144-L148 HydrophobicContact CD1-CD1 4.13Å; F144-L148 HydrophobicContact CD1-CG 4.41Å; F144-L148 HydrophobicContact CE1-CD1 3.93Å; F144-L148 HydrophobicContact CE1-CD2 4.5Å; F144-L148 HydrophobicContact CE1-CG 4.24Å; F144-L148 PolarHBondContact O-N 3.45Å; V145-L148 WeakPolarHBondContact O-CB 2.95Å; V145-L148 PolarHBondContact O-N 2.6Å; D146-L148 VanDerWaalsContact C-N 3.35Å; D146-L148 PolarHBondContact O-N 3.35Å; L148-Q151 WeakPolarHBondContact O-CB 3.34Å; L148-Q151 PolarHBondContact O-N 3.16Å; L148-T152 WeakPolarHBondContact O-CG2 3.43Å; L148-T152 PolarHBondContact O-N 3.4Å; L148-T152 PolarHBondContact O-OG1 3.45Å; L148-M187 HydrophobicContact CB-CE 4.09Å; L148-M187 HydrophobicContact CB-SD 3.74Å; L148-L189 HydrophobicContact CD1-CD1 4.41Å; L148-L189 HydrophobicContact CD2-CD1 4.19Å; L148-L189 HydrophobicContact CD2-CD2 4.38Å; L148-I201 HydrophobicContact CD1-CD1 3.67Å; L148-F426 HydrophobicContact CD2-CB 3.75Å; L148-F426 HydrophobicContact CD2-CD2 3.73Å; L148-F426 HydrophobicContact CD2-CG 4.04Å; L148-F426 HydrophobicContact CG-CD2 4.42Å; L148-F429 HydrophobicContact CD1-CE1 4.16Å
149	I	94.9	Very high	91.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-46.6	174.1	-69.7	-68.3	0	0	0	110.4	V145 D146 Q151 T152 H153 I156 Y166 V185 M187 V533	V145-I149 HydrophobicContact CG1-CG1 4.22Å; V145-I149 WeakPolarHBondContact O-CG1 3.42Å; V145-I149 PolarHBondContact O-N 2.88Å; D146-I149 PolarHBondContact O-N 2.97Å; I149-Q151 VanDerWaalsContact C-N 3.25Å; I149-Q151 PolarHBondContact O-N 3.25Å; I149-T152 WeakPolarHBondContact CA-OG1 3.38Å; I149-T152 PolarHBondContact O-N 3.43Å; I149-T152 VanDerWaalsContact O-N 3.11Å; I149-T152 PolarHBondContact O-OG1 3.33Å; I149-T152 VanDerWaalsContact O-OG1 3.1Å; I149-H153 HydrophobicContact CG2-CB 4.47Å; I149-H153 WeakPolarHBondContact O-CA 3.33Å; I149-H153 VanDerWaalsContact O-CB 3.3Å; I149-H153 WeakPolarHBondContact O-CB 3.37Å; I149-H153 PolarHBondContact O-N 2.93Å; I149-H153 PolarHBondContact O-ND1 2.99Å; I149-I156 HydrophobicContact CG2-CB 4.35Å; I149-I156 HydrophobicContact CG2-CD1 4.21Å; I149-I156 HydrophobicContact CG2-CG2 3.93Å; I149-Y166 HydrophobicContact CD1-CD1 4.04Å; I149-Y166 HydrophobicContact CD1-CE1 3.91Å; I149-Y166 HydrophobicContact CG1-CD1 3.81Å; I149-Y166 HydrophobicContact CG1-CE1 4.18Å; I149-Y166 HydrophobicContact CG1-CG 4.29Å; I149-Y166 HydrophobicContact CG2-CD1 4.25Å; I149-Y166 HydrophobicContact CG2-CD2 4.19Å; I149-Y166 HydrophobicContact CG2-CE1 4.33Å; I149-Y166 HydrophobicContact CG2-CE2 4.29Å; I149-Y166 HydrophobicContact CG2-CG 4.16Å; I149-V185 HydrophobicContact CD1-CG1 3.81Å; I149-M187 HydrophobicContact CD1-CE 3.55Å; I149-M187 HydrophobicContact CG1-CE 4.04Å; I149-V533 HydrophobicContact CD1-CG1 4.33Å
150	E	92.8	Very high	90.5	Very high	14 Å²	14	39 Å²	39	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-35	175.6	-75.1	178.9	-173.2	0	0	112.7	D146 R157 K158 R416	D146-E150 WeakPolarHBondContact O-CB 3.47Å; D146-E150 VanDerWaalsContact O-CG 3.32Å; D146-E150 WeakPolarHBondContact O-CG 3.18Å; D146-E150 PolarHBondContact O-N 3.45Å; E150-R157 PolarHBondContact O-NH1 3.33Å; E150-K158 WeakPolarHBondContact OE1-CB 3.41Å; E150-K158 PolarHBondContact OE1-N 3.19Å; E150-R416 IonicContact OE1-CZ 3.1Å; E150-R416 IonicContact OE1-NH2 3.44Å; E150-R416 PolarHBondContact OE1-NH2 3.43Å; E150-R416 IonicContact OE2-CZ 3.83Å; E150-R416 IonicContact OE2-NE 3.94Å; E150-R416 PolarHBondContact OE2-NE 3.4Å; E150-R416 IonicContact OE2-NH2 2.74Å; E150-R416 PolarHBondContact OE2-NH2 2.92Å
151	Q	93.8	Very high	89.5	Confident	40 Å²	40	45.4 Å²	45.4	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-41.5	175.1	-177.7	-174.3	-44.3	0	0	111.5	C147 L148 I149 E425	C147-Q151 WeakPolarHBondContact O-CB 3.5Å; C147-Q151 PolarHBondContact O-N 3.03Å; L148-Q151 WeakPolarHBondContact O-CB 3.34Å; L148-Q151 PolarHBondContact O-N 3.16Å; I149-Q151 VanDerWaalsContact C-N 3.25Å; I149-Q151 PolarHBondContact O-N 3.25Å; Q151-E425 HydrophobicContact CG-CB 4.48Å; Q151-E425 HydrophobicContact CG-CG 4.08Å
152	T	94.3	Very high	88.6	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-87.7	-23.4	-174.3	49.3	0	0	0	0	113.8	T111 V112 Y113 L148 I149 M187 L189	T111-T152 CarbonylContact C-O 3.56Å; T111-T152 WeakPolarHBondContact CA-O 3.37Å; V112-T152 PolarHBondContact N-O 2.71Å; Y113-T152 HydrophobicContact CE1-CG2 4.05Å; L148-T152 WeakPolarHBondContact O-CG2 3.43Å; L148-T152 PolarHBondContact O-N 3.4Å; L148-T152 PolarHBondContact O-OG1 3.45Å; I149-T152 WeakPolarHBondContact CA-OG1 3.38Å; I149-T152 PolarHBondContact O-N 3.43Å; I149-T152 VanDerWaalsContact O-N 3.11Å; I149-T152 PolarHBondContact O-OG1 3.33Å; I149-T152 VanDerWaalsContact O-OG1 3.1Å; T152-M187 HydrophobicContact CG2-CB 4.43Å; T152-M187 HydrophobicContact CG2-SD 4.06Å; T152-L189 HydrophobicContact CG2-CD2 3.74Å
153	H	94.6	Very high	87.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.247	C	C	.	.			trans	-123.1	99.1	-176.7	-61.1	77.2	0	0	0	109.8	T111 I149 E155 I156 R157 Y536	T111-H153 WeakPolarHBondContact CG2-NE2 3.3Å; I149-H153 HydrophobicContact CG2-CB 4.47Å; I149-H153 WeakPolarHBondContact O-CA 3.33Å; I149-H153 VanDerWaalsContact O-CB 3.3Å; I149-H153 WeakPolarHBondContact O-CB 3.37Å; I149-H153 PolarHBondContact O-N 2.93Å; I149-H153 PolarHBondContact O-ND1 2.99Å; H153-E155 VanDerWaalsContact C-N 3.25Å; H153-E155 PolarHBondContact O-N 2.87Å; H153-I156 HydrophobicContact CB-CB 3.96Å; H153-I156 HydrophobicContact CB-CD1 3.77Å; H153-I156 HydrophobicContact CB-CG1 3.94Å; H153-I156 PolarHBondContact O-N 3.14Å; H153-R157 PolarHBondContact O-NH1 3.13Å; H153-Y536 AromaticContact NE2-CE1 3.51Å; H153-Y536 AromaticContact NE2-CZ 3.63Å; H153-Y536 PolarHBondContact NE2-OH 3.15Å
154	P	90	Very high	87.2	Confident	63 Å²	63	51.9 Å²	51.9	41%	0.409	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.2	-174.4	-25.7	36.2	0	0	0	114.7	A110 V112 R157	A110-P154 WeakPolarHBondContact O-CD 3.42Å; V112-P154 HydrophobicContact CG1-CG 3.72Å; P154-R157 PolarHBondContact O-NE 3.06Å; P154-R157 PolarHBondContact O-NH1 3.26Å; P154-R157 PolarHBondContact O-NH2 3Å
155	E	89.8	Confident	86.7	Confident	151 Å²	151	55.1 Å²	55.1	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-25.8	-177.9	-61.1	-173.6	167.3	0	0	112.8	H153 R157	H153-E155 VanDerWaalsContact C-N 3.25Å; H153-E155 PolarHBondContact O-N 2.87Å; E155-R157 PolarHBondContact O-N 3.5Å
156	I	87.6	Confident	86.4	Confident	22 Å²	22	55.1 Å²	55.1	11%	0.113	26%	0.263	C	S	.	.			trans	-83	117.8	178.2	-58.1	176.6	0	0	0	107.9	P109 I149 H153 L164 Y166	P109-I156 HydrophobicContact CB-CD1 4.26Å; P109-I156 HydrophobicContact CG-CD1 4.39Å; I149-I156 HydrophobicContact CG2-CB 4.35Å; I149-I156 HydrophobicContact CG2-CD1 4.21Å; I149-I156 HydrophobicContact CG2-CG2 3.93Å; H153-I156 HydrophobicContact CB-CB 3.96Å; H153-I156 HydrophobicContact CB-CD1 3.77Å; H153-I156 HydrophobicContact CB-CG1 3.94Å; H153-I156 PolarHBondContact O-N 3.14Å; I156-L164 HydrophobicContact CG2-CD2 3.6Å; I156-Y166 HydrophobicContact CD1-CE2 3.84Å; I156-Y166 HydrophobicContact CG2-CD2 4.31Å; I156-Y166 HydrophobicContact CG2-CE2 4.33Å
157	R	80.8	Confident	86.4	Confident	126 Å²	126	55 Å²	55	48%	0.475	26%	0.263	S	S	.	.			trans	-139.4	136.2	-177.6	-66	-70.9	176.8	-110	11	110.4	E150 H153 P154 E155	E150-R157 PolarHBondContact O-NH1 3.33Å; H153-R157 PolarHBondContact O-NH1 3.13Å; P154-R157 PolarHBondContact O-NE 3.06Å; P154-R157 PolarHBondContact O-NH1 3.26Å; P154-R157 PolarHBondContact O-NH2 3Å; E155-R157 PolarHBondContact O-N 3.5Å
158	K	76.1	Confident	86.3	Confident	31 Å²	31	55.1 Å²	55.1	14%	0.135	26%	0.263	C	S	.	.			trans	-59.2	138.4	167.9	176.2	172.2	175	166.2	0	111.1	E150 D163 L164	E150-K158 WeakPolarHBondContact OE1-CB 3.41Å; E150-K158 PolarHBondContact OE1-N 3.19Å; K158-D163 WeakPolarHBondContact CE-OD1 3.14Å; K158-D163 IonicContact NZ-OD1 2.63Å; K158-D163 PolarHBondContact NZ-OD1 3.37Å; K158-L164 HydrophobicContact CB-CB 4.43Å
159	R	76.4	Confident	86.2	Confident	206 Å²	206	56.1 Å²	56.1	78%	0.777	27%	0.268	S	S	*	.	B	Isolated β-bridge	trans	-77.4	152.2	174.2	-64.2	-177.7	-179.2	175.5	2.1	109.7	D161 V162	R159-D161 PolarHBondContact O-N 3.45Å; R159-D161 VanDerWaalsContact O-N 3.11Å; R159-V162 PolarHBondContact O-N 2.79Å
160	D	70.8	Confident	86.1	Confident	95 Å²	95	56.9 Å²	56.9	51%	0.508	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.3	-170.5	-70.5	-33.9	0	0	0	114.6	P413	D160-P413 HydrophobicContact CB-CG 3.89Å; D160-P413 WeakPolarHBondContact OD1-CG 3.26Å
161	D	73	Confident	86	Confident	145 Å²	145	59.5 Å²	59.5	78%	0.775	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-6	-172.7	-64.5	-40.1	0	0	0	114.7	R159	R159-D161 PolarHBondContact O-N 3.45Å; R159-D161 VanDerWaalsContact O-N 3.11Å
162	V	77.3	Confident	85.9	Confident	89 Å²	89	58 Å²	58	54%	0.539	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-134.9	127.7	-175.1	-174.7	0	0	0	0	110.2	R159	R159-V162 PolarHBondContact O-N 2.79Å
163	D	79.3	Confident	85.8	Confident	59 Å²	59	58 Å²	58	32%	0.316	28%	0.276	S	S	.	.			trans	-63.1	135.5	173.9	-60.2	-22.7	0	0	0	110.6	K158 R165	K158-D163 WeakPolarHBondContact CE-OD1 3.14Å; K158-D163 IonicContact NZ-OD1 2.63Å; K158-D163 PolarHBondContact NZ-OD1 3.37Å; D163-R165 HydrophobicContact CB-CG 4.15Å
164	L	80.1	Confident	85.6	Confident	40 Å²	40	60.5 Å²	60.5	21%	0.209	29%	0.288	C	S	.	.			trans	-65.7	-44.8	-176.3	178.8	65.1	0	0	0	111.7	I156 K158 Y166 R535	I156-L164 HydrophobicContact CG2-CD2 3.6Å; K158-L164 HydrophobicContact CB-CB 4.43Å; L164-Y166 HydrophobicContact CD2-CD2 4.02Å; L164-Y166 HydrophobicContact CD2-CG 4.47Å; L164-Y166 HydrophobicContact CG-CD2 4.44Å; L164-R535 PolarHBondContact O-NH2 3.34Å
165	R	87	Confident	85.6	Confident	68 Å²	68	65.2 Å²	65.2	26%	0.257	31%	0.305	S	S	.	.			trans	47.6	64	-176.5	-64.3	-177.2	-72.5	-179.5	6.7	110.5	T142 D146 D163 T167 D168 Q174 R535	T142-R165 HydrophobicContact CG2-CB 3.98Å; T142-R165 HydrophobicContact CG2-CG 4.16Å; D146-R165 PolarHBondContact OD1-N 3.49Å; D146-R165 WeakPolarHBondContact OD2-CA 3.39Å; D146-R165 PolarHBondContact OD2-N 2.92Å; D163-R165 HydrophobicContact CB-CG 4.15Å; R165-T167 VanDerWaalsContact C-N 3.33Å; R165-T167 PolarHBondContact O-N 2.9Å; R165-D168 HydrophobicContact CB-CB 4.05Å; R165-D168 WeakPolarHBondContact CD-OD2 3.09Å; R165-D168 PolarHBondContact O-N 3.03Å; R165-Q174 PolarHBondContact NH2-O 2.88Å; R165-R535 PolarHBondContact O-NH2 3.04Å
166	Y	91.3	Very high	85.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-39.3	-169.4	-170.6	-98.6	0	0	0	112.4	D146 I149 I156 L164 V533 A534 R535 Y536	D146-Y166 VanDerWaalsContact OD1-CB 3.29Å; D146-Y166 WeakPolarHBondContact OD1-CB 3.44Å; D146-Y166 PolarHBondContact OD1-N 2.95Å; I149-Y166 HydrophobicContact CD1-CD1 4.04Å; I149-Y166 HydrophobicContact CD1-CE1 3.91Å; I149-Y166 HydrophobicContact CG1-CD1 3.81Å; I149-Y166 HydrophobicContact CG1-CE1 4.18Å; I149-Y166 HydrophobicContact CG1-CG 4.29Å; I149-Y166 HydrophobicContact CG2-CD1 4.25Å; I149-Y166 HydrophobicContact CG2-CD2 4.19Å; I149-Y166 HydrophobicContact CG2-CE1 4.33Å; I149-Y166 HydrophobicContact CG2-CE2 4.29Å; I149-Y166 HydrophobicContact CG2-CG 4.16Å; I156-Y166 HydrophobicContact CD1-CE2 3.84Å; I156-Y166 HydrophobicContact CG2-CD2 4.31Å; I156-Y166 HydrophobicContact CG2-CE2 4.33Å; L164-Y166 HydrophobicContact CD2-CD2 4.02Å; L164-Y166 HydrophobicContact CD2-CG 4.47Å; L164-Y166 HydrophobicContact CG-CD2 4.44Å; Y166-V533 WeakPolarHBondContact CE1-O 3.41Å; Y166-A534 HydrophobicContact CD1-CB 3.98Å; Y166-A534 HydrophobicContact CE1-CB 3.93Å; Y166-R535 HydrophobicContact CD1-CG 4.36Å; Y166-R535 HydrophobicContact CD2-CG 4.2Å; Y166-R535 HydrophobicContact CE1-CB 4.25Å; Y166-R535 HydrophobicContact CE1-CG 4.05Å; Y166-R535 HydrophobicContact CE2-CB 4.15Å; Y166-R535 VanDerWaalsContact CE2-CD 3.48Å; Y166-R535 HydrophobicContact CE2-CG 3.85Å; Y166-R535 HydrophobicContact CG-CG 4.45Å; Y166-R535 WeakPolarHBondContact O-CG 3.38Å; Y166-R535 PolarHBondContact O-NE 2.86Å; Y166-Y536 WeakPolarHBondContact OH-CD1 3.46Å
167	T	93.2	Very high	85.7	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.2	179.9	42.3	0	0	0	0	114.5	T142 V145 R165 I169 T183 V185 D203 A534	T142-T167 WeakPolarHBondContact CG2-OG1 2.97Å; V145-T167 HydrophobicContact CB-CG2 4.3Å; V145-T167 HydrophobicContact CG1-CG2 3.71Å; R165-T167 VanDerWaalsContact C-N 3.33Å; R165-T167 PolarHBondContact O-N 2.9Å; T167-I169 PolarHBondContact O-N 3.49Å; T167-T183 HydrophobicContact CG2-CG2 4.43Å; T167-T183 WeakPolarHBondContact O-CB 3.42Å; T167-T183 PolarHBondContact O-OG1 3.28Å; T167-V185 HydrophobicContact CG2-CG2 3.55Å; T167-D203 WeakPolarHBondContact CB-OD2 3.46Å; T167-D203 HydrophobicContact CG2-CB 4Å; T167-D203 PolarHBondContact OG1-OD2 2.73Å; T167-A534 HydrophobicContact CG2-CB 4.18Å
168	D	93.6	Very high	86.2	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.032	27%	0.274	C	S	.	.			trans	-80.2	75	173.5	-66.9	-5.9	0	0	0	108.5	R165 E173 Q174	R165-D168 HydrophobicContact CB-CB 4.05Å; R165-D168 WeakPolarHBondContact CD-OD2 3.09Å; R165-D168 PolarHBondContact O-N 3.03Å; D168-E173 WeakPolarHBondContact CA-OE2 3.42Å; D168-E173 HydrophobicContact CB-CB 3.91Å; D168-Q174 HydrophobicContact CB-CG 4.49Å; D168-Q174 WeakPolarHBondContact O-CG 3.45Å; D168-Q174 PolarHBondContact O-NE2 3.06Å
169	I	93.1	Very high	87	Confident	21 Å²	21	56.3 Å²	56.3	11%	0.108	27%	0.274	C	S	.	.			trans	-79.6	-24.8	-171.7	61.9	173.2	0	0	0	112.8	T102 L103 T167 E173 T183 A534 R535	T102-I169 CarbonylContact C-O 3.59Å; T102-I169 VanDerWaalsContact CA-O 3.31Å; T102-I169 WeakPolarHBondContact CA-O 3.28Å; T102-I169 HydrophobicContact CG2-CD1 4.33Å; T102-I169 HydrophobicContact CG2-CG1 4.38Å; L103-I169 PolarHBondContact N-O 3.13Å; T167-I169 PolarHBondContact O-N 3.49Å; I169-E173 PolarHBondContact N-OE2 2.71Å; I169-T183 HydrophobicContact CD1-CG2 4.45Å; I169-T183 HydrophobicContact CG2-CG2 4.43Å; I169-A534 HydrophobicContact CG2-CB 4.15Å; I169-R535 HydrophobicContact CG2-CG 3.92Å
170	L	92.6	Very high	87.9	Confident	15 Å²	15	46.6 Å²	46.6	8%	0.079	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-79.9	141.5	179.8	-68	165.6	0	0	0	110.7	T102 T172 E173 Q174 K181 M646	T102-L170 HydrophobicContact CG2-CD2 3.46Å; T102-L170 VanDerWaalsContact CG2-CD2 3.46Å; T102-L170 HydrophobicContact CG2-CG 4.27Å; L170-T172 PolarHBondContact O-N 3.45Å; L170-E173 HydrophobicContact CB-CB 4.38Å; L170-E173 HydrophobicContact CB-CG 3.94Å; L170-E173 HydrophobicContact CD1-CG 4.42Å; L170-E173 PolarHBondContact N-OE2 3.48Å; L170-E173 WeakPolarHBondContact O-CB 3.44Å; L170-E173 PolarHBondContact O-N 3.03Å; L170-E173 VanDerWaalsContact O-N 3.08Å; L170-Q174 PolarHBondContact O-N 3.36Å; L170-K181 HydrophobicContact CD1-CB 4.38Å; L170-K181 HydrophobicContact CD1-CG 3.55Å; L170-M646 HydrophobicContact CD2-CE 4.26Å
171	F	92	Very high	89.1	Confident	70 Å²	70	42.9 Å²	42.9	31%	0.307	22%	0.217	S	C	.	.	H	α-helix	trans	-59.3	-36.5	174.9	-66.6	-52.5	0	0	0	112.5	Q100 F101 L103 E173 Q174 E175	Q100-F171 HydrophobicContact CG-CE2 4.39Å; Q100-F171 VanDerWaalsContact O-CE2 3.29Å; Q100-F171 WeakPolarHBondContact O-CE2 3.41Å; F101-F171 WeakPolarHBondContact O-CD2 3.32Å; F101-F171 PolarHBondContact O-N 3.49Å; L103-F171 HydrophobicContact CD2-CD1 4.49Å; L103-F171 HydrophobicContact CD2-CE1 3.4Å; L103-F171 HydrophobicContact CD2-CZ 3.75Å; L103-F171 HydrophobicContact CG-CD1 4.37Å; L103-F171 HydrophobicContact CG-CE1 3.67Å; L103-F171 HydrophobicContact CG-CZ 4.27Å; F171-E173 VanDerWaalsContact C-N 3.29Å; F171-E173 PolarHBondContact O-N 2.92Å; F171-Q174 PolarHBondContact O-N 2.8Å; F171-E175 WeakPolarHBondContact O-CG 3.28Å; F171-E175 PolarHBondContact O-N 3.47Å
172	T	92.1	Very high	90.2	Very high	9 Å²	9	36 Å²	36	6%	0.055	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-38.9	175.4	-43.8	0	0	0	0	112.4	L170 R176 I180 H641	L170-T172 PolarHBondContact O-N 3.45Å; T172-R176 WeakPolarHBondContact O-CB 3.47Å; T172-R176 WeakPolarHBondContact O-CG 3.4Å; T172-R176 PolarHBondContact O-N 2.94Å; T172-R176 VanDerWaalsContact O-N 3.07Å; T172-I180 HydrophobicContact CG2-CD1 3.63Å; T172-H641 PolarHBondContact OG1-CE1 3.34Å; T172-H641 PolarHBondContact OG1-ND1 3.34Å
173	E	92.4	Very high	91.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.4	-39.9	178.7	-67.6	176.7	138.7	0	0	111.1	D168 I169 L170 F171 G177 V178 I180 K181	D168-E173 WeakPolarHBondContact CA-OE2 3.42Å; D168-E173 HydrophobicContact CB-CB 3.91Å; I169-E173 PolarHBondContact N-OE2 2.71Å; L170-E173 HydrophobicContact CB-CB 4.38Å; L170-E173 HydrophobicContact CB-CG 3.94Å; L170-E173 HydrophobicContact CD1-CG 4.42Å; L170-E173 PolarHBondContact N-OE2 3.48Å; L170-E173 WeakPolarHBondContact O-CB 3.44Å; L170-E173 PolarHBondContact O-N 3.03Å; L170-E173 VanDerWaalsContact O-N 3.08Å; F171-E173 VanDerWaalsContact C-N 3.29Å; F171-E173 PolarHBondContact O-N 2.92Å; E173-G177 WeakPolarHBondContact O-CA 3.25Å; E173-G177 PolarHBondContact O-N 3.47Å; E173-V178 PolarHBondContact O-N 3.48Å; E173-I180 HydrophobicContact CG-CB 3.8Å; E173-I180 HydrophobicContact CG-CD1 3.81Å; E173-I180 HydrophobicContact CG-CG1 3.85Å; E173-I180 WeakPolarHBondContact OE1-CA 3.39Å; E173-I180 PolarHBondContact OE1-N 3.1Å; E173-K181 PolarHBondContact OE1-N 2.74Å
174	Q	89.4	Confident	92	Very high	53 Å²	53	29.2 Å²	29.2	25%	0.248	14%	0.141	C	C	.	.	H	α-helix	trans	-68.8	-43.3	-179.9	-66.3	173.1	14.3	0	0	112.4	R165 D168 L170 F171	R165-Q174 PolarHBondContact NH2-O 2.88Å; D168-Q174 HydrophobicContact CB-CG 4.49Å; D168-Q174 WeakPolarHBondContact O-CG 3.45Å; D168-Q174 PolarHBondContact O-NE2 3.06Å; L170-Q174 PolarHBondContact O-N 3.36Å; F171-Q174 PolarHBondContact O-N 2.8Å
175	E	90.9	Very high	92.8	Very high	162 Å²	162	27.3 Å²	27.3	76%	0.757	13%	0.131	S	C	*	.	H	α-helix	trans	-66.3	-45.5	178.3	-72.8	-177.6	-179.9	0	0	111.8	F171	F171-E175 WeakPolarHBondContact O-CG 3.28Å; F171-E175 PolarHBondContact O-N 3.47Å
176	R	89.9	Confident	93.3	Very high	96 Å²	96	24.3 Å²	24.3	36%	0.362	12%	0.12	S	C	.	.	H	α-helix	trans	-76.9	-26.5	178.4	-67.7	-176.6	-179.8	-99.5	-4.2	113	T172 V178 D637	T172-R176 WeakPolarHBondContact O-CB 3.47Å; T172-R176 WeakPolarHBondContact O-CG 3.4Å; T172-R176 PolarHBondContact O-N 2.94Å; T172-R176 VanDerWaalsContact O-N 3.07Å; R176-V178 VanDerWaalsContact C-N 3.26Å; R176-V178 PolarHBondContact O-N 3.33Å; R176-D637 IonicContact CZ-OD2 3.19Å; R176-D637 IonicContact NH1-OD2 3.29Å; R176-D637 PolarHBondContact NH1-OD2 2.68Å; R176-D637 VanDerWaalsContact NH2-CG 3.3Å; R176-D637 IonicContact NH2-OD1 2.88Å; R176-D637 IonicContact NH2-OD2 2.83Å; R176-D637 PolarHBondContact NH2-OD2 3.41Å
177	G	89.5	Confident	93.6	Very high	17 Å²	17	24.3 Å²	24.3	18%	0.175	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	20.9	-173.2	0	0	0	0	0	115.4	H138 E173	H138-G177 PolarHBondContact CE1-O 2.88Å; H138-G177 VanDerWaalsContact CE1-O 3.24Å; E173-G177 WeakPolarHBondContact O-CA 3.25Å; E173-G177 PolarHBondContact O-N 3.47Å
178	V	91.1	Very high	93.8	Very high	17 Å²	17	24.5 Å²	24.5	10%	0.103	12%	0.121	C	C	.	.	S	Bend	trans	-121.1	127	177.4	178.6	0	0	0	0	107.1	L137 E173 R176 I180 H207 L634	L137-V178 HydrophobicContact CD1-CG1 3.99Å; L137-V178 HydrophobicContact CD1-CG2 4.39Å; E173-V178 PolarHBondContact O-N 3.48Å; R176-V178 VanDerWaalsContact C-N 3.26Å; R176-V178 PolarHBondContact O-N 3.33Å; V178-I180 PolarHBondContact O-N 2.91Å; V178-H207 HydrophobicContact CG1-CB 4Å; V178-L634 HydrophobicContact CG1-CD2 4.42Å
179	G	92.8	Very high	93.9	Very high	14 Å²	14	24.2 Å²	24.2	14%	0.144	12%	0.12	C	C	.	.			trans	-61.3	130.6	169.2	0	0	0	0	0	109.9	P205	G179-P205 WeakPolarHBondContact O-CB 3.41Å
180	I	94.9	Very high	94.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.122	C	C	.	.			trans	-109.3	-44	-176.4	-65.6	165.6	0	0	0	109.2	T172 E173 V178 F210 Y613 C638	T172-I180 HydrophobicContact CG2-CD1 3.63Å; E173-I180 HydrophobicContact CG-CB 3.8Å; E173-I180 HydrophobicContact CG-CD1 3.81Å; E173-I180 HydrophobicContact CG-CG1 3.85Å; E173-I180 WeakPolarHBondContact OE1-CA 3.39Å; E173-I180 PolarHBondContact OE1-N 3.1Å; V178-I180 PolarHBondContact O-N 2.91Å; I180-F210 HydrophobicContact CB-CZ 4.44Å; I180-F210 HydrophobicContact CG1-CE2 4.23Å; I180-F210 HydrophobicContact CG1-CZ 4.17Å; I180-F210 HydrophobicContact CG2-CD1 4.29Å; I180-F210 HydrophobicContact CG2-CE1 3.8Å; I180-F210 HydrophobicContact CG2-CZ 3.99Å; I180-Y613 HydrophobicContact CG2-CE1 4.17Å; I180-C638 HydrophobicContact CD1-CB 4.32Å; I180-C638 VanDerWaalsContact CD1-SG 3.59Å; I180-C638 HydrophobicContact CG2-CB 4.24Å
181	K	95.5	Very high	94.2	Very high	16 Å²	16	23.8 Å²	23.8	7%	0.07	12%	0.119	C	C	.	.	S	Bend	trans	-106	147.5	-179.6	-60.6	-57.7	-176.6	176.1	0	110.3	L170 E173 E213 S612 Y613	L170-K181 HydrophobicContact CD1-CB 4.38Å; L170-K181 HydrophobicContact CD1-CG 3.55Å; E173-K181 PolarHBondContact OE1-N 2.74Å; K181-E213 WeakPolarHBondContact CD-OE1 3.44Å; K181-E213 IonicContact NZ-OE1 2.98Å; K181-E213 PolarHBondContact NZ-OE1 3.26Å; K181-S612 WeakPolarHBondContact CE-OG 3.25Å; K181-S612 PolarHBondContact NZ-O 3.44Å; K181-S612 PolarHBondContact NZ-OG 3.08Å; K181-Y613 VanDerWaalsContact NZ-CD2 3.28Å; K181-Y613 VanDerWaalsContact NZ-CE2 3.27Å
182	S	96.4	Very high	94.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.			trans	-68.6	135.3	164.5	61.8	0	0	0	0	108.9	D203 E213 S217 Y481	S182-D203 CarbonylContact C-O 3.57Å; S182-D203 WeakPolarHBondContact CA-O 3.29Å; S182-E213 PolarHBondContact N-OE2 3.29Å; S182-E213 PolarHBondContact OG-OE2 3.31Å; S182-S217 WeakPolarHBondContact CB-OG 3.15Å; S182-Y481 WeakPolarHBondContact O-CE1 3.41Å; S182-Y481 VanDerWaalsContact O-CZ 3.32Å; S182-Y481 PolarHBondContact O-OH 2.78Å; S182-Y481 PolarHBondContact OG-OH 3.16Å
183	T	96.8	Very high	94	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.2	179.2	-55.8	0	0	0	0	110.3	T167 I169 D203 A534	T167-T183 HydrophobicContact CG2-CG2 4.43Å; T167-T183 WeakPolarHBondContact O-CB 3.42Å; T167-T183 PolarHBondContact O-OG1 3.28Å; I169-T183 HydrophobicContact CD1-CG2 4.45Å; I169-T183 HydrophobicContact CG2-CG2 4.43Å; T183-D203 PolarHBondContact N-O 3.41Å; T183-D203 PolarHBondContact O-N 3.17Å; T183-A534 HydrophobicContact CG2-CB 3.54Å
184	P	97.3	Very high	94	Very high	3 Å²	3	31 Å²	31	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	145.7	179.1	29.1	-31.9	0	0	0	111.6	I201 M202 Y481 F492 A534 W548	P184-I201 CarbonylContact C-O 3.53Å; P184-I201 WeakPolarHBondContact CA-O 3.33Å; P184-M202 HydrophobicContact CB-CE 3.64Å; P184-M202 HydrophobicContact CB-SD 4.02Å; P184-M202 HydrophobicContact CG-CE 4.19Å; P184-M202 VanDerWaalsContact N-SD 3.4Å; P184-Y481 WeakPolarHBondContact CD-OH 3.46Å; P184-Y481 HydrophobicContact CG-CE2 4.14Å; P184-F492 HydrophobicContact CB-CE1 4.15Å; P184-F492 HydrophobicContact CB-CE2 3.94Å; P184-F492 HydrophobicContact CB-CZ 3.47Å; P184-F492 VanDerWaalsContact CB-CZ 3.47Å; P184-F492 HydrophobicContact CG-CD2 4.37Å; P184-F492 HydrophobicContact CG-CE1 4.25Å; P184-F492 HydrophobicContact CG-CE2 3.77Å; P184-F492 HydrophobicContact CG-CZ 3.69Å; P184-A534 PolarHBondContact O-N 3.01Å; P184-W548 HydrophobicContact CB-CE3 4.18Å; P184-W548 HydrophobicContact CB-CZ3 4.34Å
185	V	97.4	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	114.8	173.8	-171.5	0	0	0	0	109.2	V145 I149 T167 M187 I201 V533 A534	V145-V185 HydrophobicContact CG1-CG2 4.09Å; I149-V185 HydrophobicContact CD1-CG1 3.81Å; T167-V185 HydrophobicContact CG2-CG2 3.55Å; V185-M187 HydrophobicContact CB-CE 4.24Å; V185-M187 HydrophobicContact CG1-CE 3.21Å; V185-I201 PolarHBondContact N-O 3.01Å; V185-I201 PolarHBondContact O-N 3.13Å; V185-V533 HydrophobicContact CG1-CG1 3.67Å; V185-A534 HydrophobicContact CG2-CB 3.95Å
186	T	97.9	Very high	94.5	Very high	4 Å²	4	27 Å²	27	3%	0.025	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.3	172.2	-62.2	0	0	0	0	110.4	L118 L198 F199 N200 I531 S532 V533	L118-T186 HydrophobicContact CD1-CG2 4.43Å; T186-L198 HydrophobicContact CG2-CD1 3.74Å; T186-L198 HydrophobicContact CG2-CD2 4.44Å; T186-L198 HydrophobicContact CG2-CG 4.17Å; T186-F199 WeakPolarHBondContact CA-O 3.32Å; T186-N200 WeakPolarHBondContact CB-OD1 3.47Å; T186-N200 WeakPolarHBondContact CG2-OD1 3.42Å; T186-N200 PolarHBondContact OG1-OD1 3.42Å; T186-I531 VanDerWaalsContact CB-CG2 3.47Å; T186-I531 HydrophobicContact CG2-CG2 3.61Å; T186-S532 PolarHBondContact N-O 2.71Å; T186-V533 WeakPolarHBondContact O-CG2 3.35Å
187	M	96.4	Very high	94.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.4	179.3	62.9	177.4	75.8	0	0	112.4	Y113 L148 I149 T152 V185 L189 F199	Y113-M187 WeakPolarHBondContact OH-CA 3.44Å; L148-M187 HydrophobicContact CB-CE 4.09Å; L148-M187 HydrophobicContact CB-SD 3.74Å; I149-M187 HydrophobicContact CD1-CE 3.55Å; I149-M187 HydrophobicContact CG1-CE 4.04Å; T152-M187 HydrophobicContact CG2-CB 4.43Å; T152-M187 HydrophobicContact CG2-SD 4.06Å; V185-M187 HydrophobicContact CB-CE 4.24Å; V185-M187 HydrophobicContact CG1-CE 3.21Å; M187-L189 HydrophobicContact CG-CD1 4.31Å; M187-L189 HydrophobicContact CG-CD2 4.28Å; M187-L189 HydrophobicContact CG-CG 4.05Å; M187-L189 HydrophobicContact SD-CD1 4.16Å; M187-L189 HydrophobicContact SD-CD2 3.81Å; M187-L189 HydrophobicContact SD-CG 4.1Å; M187-F199 PolarHBondContact N-O 3.25Å; M187-F199 PolarHBondContact O-N 3.15Å
188	V	97.6	Very high	95.3	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.03	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.6	177	-177.5	0	0	0	0	109.9	Y113 F117 L118 L121 Y197 L198	Y113-V188 HydrophobicContact CD1-CB 3.7Å; Y113-V188 HydrophobicContact CD1-CG2 4.33Å; Y113-V188 HydrophobicContact CD2-CB 4.28Å; Y113-V188 HydrophobicContact CD2-CG2 4.02Å; Y113-V188 HydrophobicContact CE1-CB 3.89Å; Y113-V188 HydrophobicContact CE1-CG2 4.38Å; Y113-V188 HydrophobicContact CE2-CB 4.48Å; Y113-V188 HydrophobicContact CE2-CG2 4.11Å; Y113-V188 HydrophobicContact CG-CB 3.91Å; Y113-V188 HydrophobicContact CG-CG2 4.14Å; F117-V188 HydrophobicContact CD1-CG1 4.36Å; F117-V188 HydrophobicContact CE1-CG1 3.94Å; L118-V188 HydrophobicContact CB-CG2 4.11Å; L118-V188 HydrophobicContact CD1-CG2 4.31Å; L118-V188 HydrophobicContact CG-CG2 4.21Å; L121-V188 HydrophobicContact CD1-CB 4.41Å; L121-V188 HydrophobicContact CD1-CG1 3.64Å; L121-V188 HydrophobicContact CD1-CG2 3.84Å; V188-Y197 WeakPolarHBondContact CA-O 3.16Å; V188-L198 HydrophobicContact CG2-CD1 4.05Å
189	L	97	Very high	95.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.6	-177	-63.3	175.9	0	0	0	111.9	L148 T152 M187 S196 Y197 F199 I201 F429 V430	L148-L189 HydrophobicContact CD1-CD1 4.41Å; L148-L189 HydrophobicContact CD2-CD1 4.19Å; L148-L189 HydrophobicContact CD2-CD2 4.38Å; T152-L189 HydrophobicContact CG2-CD2 3.74Å; M187-L189 HydrophobicContact CG-CD1 4.31Å; M187-L189 HydrophobicContact CG-CD2 4.28Å; M187-L189 HydrophobicContact CG-CG 4.05Å; M187-L189 HydrophobicContact SD-CD1 4.16Å; M187-L189 HydrophobicContact SD-CD2 3.81Å; M187-L189 HydrophobicContact SD-CG 4.1Å; L189-S196 WeakPolarHBondContact O-CA 3.49Å; L189-Y197 PolarHBondContact N-O 3.36Å; L189-Y197 PolarHBondContact O-N 2.97Å; L189-F199 HydrophobicContact CB-CD2 3.98Å; L189-F199 HydrophobicContact CB-CE2 4.35Å; L189-F199 HydrophobicContact CD1-CB 4.07Å; L189-F199 HydrophobicContact CD1-CD1 4.33Å; L189-F199 HydrophobicContact CD1-CD2 4.09Å; L189-F199 HydrophobicContact CD1-CG 3.9Å; L189-F199 HydrophobicContact CG-CD2 4.36Å; L189-I201 HydrophobicContact CD1-CD1 4.38Å; L189-F429 HydrophobicContact CD1-CE1 4.41Å; L189-V430 HydrophobicContact CB-CG2 3.6Å; L189-V430 HydrophobicContact CD1-CG2 4.11Å; L189-V430 HydrophobicContact CG-CG2 4.45Å
190	P	96.3	Very high	95.9	Very high	22 Å²	22	20.9 Å²	20.9	14%	0.143	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.1	176.1	32.2	-34.3	0	0	0	112.9	K195 E425 V430	P190-K195 WeakPolarHBondContact CA-O 3.36Å; P190-E425 WeakPolarHBondContact CG-OE2 3.34Å; P190-V430 WeakPolarHBondContact O-CG2 3.48Å
191	D	94.6	Very high	96.1	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	11%	0.111	C	C	.	.			trans	-79.1	174.9	170.7	84.5	-13.5	0	0	0	111.7	R193 G194 K195 Y197 V430	D191-R193 PolarHBondContact O-N 3.11Å; D191-R193 VanDerWaalsContact OD1-C 3.29Å; D191-R193 VanDerWaalsContact OD1-CA 3.25Å; D191-R193 WeakPolarHBondContact OD1-CA 3.43Å; D191-R193 VanDerWaalsContact OD1-CB 3.32Å; D191-R193 WeakPolarHBondContact OD1-CB 3.16Å; D191-R193 PolarHBondContact OD1-N 3.14Å; D191-R193 IonicContact OD2-CZ 3.84Å; D191-R193 IonicContact OD2-NE 3.82Å; D191-R193 PolarHBondContact OD2-NE 3.17Å; D191-R193 IonicContact OD2-NH2 2.81Å; D191-R193 PolarHBondContact OD2-NH2 2.88Å; D191-G194 PolarHBondContact O-N 3.35Å; D191-G194 PolarHBondContact OD1-N 3.1Å; D191-K195 PolarHBondContact N-O 3.03Å; D191-K195 PolarHBondContact OD1-N 3.22Å; D191-Y197 HydrophobicContact CB-CD2 4.3Å; D191-Y197 HydrophobicContact CB-CE2 4.06Å; D191-V430 HydrophobicContact CB-CG1 3.86Å
192	S	90.5	Very high	96.2	Very high	4 Å²	4	20 Å²	20	3%	0.028	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13	176.2	-81.4	0	0	0	0	114.4	K324 D431	S192-K324 WeakPolarHBondContact O-CD 3.35Å; S192-K324 WeakPolarHBondContact O-CE 3.42Å; S192-K324 PolarHBondContact O-NZ 2.99Å; S192-D431 WeakPolarHBondContact CB-OD1 3.36Å; S192-D431 WeakPolarHBondContact CB-OD2 3.48Å; S192-D431 PolarHBondContact N-OD1 3.29Å; S192-D431 PolarHBondContact OG-OD2 2.69Å
193	R	90.1	Very high	96.3	Very high	171 Å²	171	20.3 Å²	20.3	65%	0.645	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-3	175.9	-59.7	173	-66.2	-175.7	-1.9	112.1	D191	D191-R193 PolarHBondContact O-N 3.11Å; D191-R193 VanDerWaalsContact OD1-C 3.29Å; D191-R193 VanDerWaalsContact OD1-CA 3.25Å; D191-R193 WeakPolarHBondContact OD1-CA 3.43Å; D191-R193 VanDerWaalsContact OD1-CB 3.32Å; D191-R193 WeakPolarHBondContact OD1-CB 3.16Å; D191-R193 PolarHBondContact OD1-N 3.14Å; D191-R193 IonicContact OD2-CZ 3.84Å; D191-R193 IonicContact OD2-NE 3.82Å; D191-R193 PolarHBondContact OD2-NE 3.17Å; D191-R193 IonicContact OD2-NH2 2.81Å; D191-R193 PolarHBondContact OD2-NH2 2.88Å
194	G	91.1	Very high	96.3	Very high	57 Å²	57	20.3 Å²	20.3	59%	0.588	11%	0.109	S	C	*	.	S	Bend	trans	83.5	8.4	-176	0	0	0	0	0	114.2	D191	D191-G194 PolarHBondContact O-N 3.35Å; D191-G194 PolarHBondContact OD1-N 3.1Å
195	K	95.6	Very high	96.2	Very high	95 Å²	95	20.3 Å²	20.3	41%	0.413	11%	0.109	S	C	.	.			trans	-79.6	125.3	172.8	-177.9	174.2	173.6	-175.4	0	108.8	L127 P190 D191 Y197	L127-K195 VanDerWaalsContact CD2-NZ 3.25Å; P190-K195 WeakPolarHBondContact CA-O 3.36Å; D191-K195 PolarHBondContact N-O 3.03Å; D191-K195 PolarHBondContact OD1-N 3.22Å; K195-Y197 HydrophobicContact CB-CE2 4.05Å; K195-Y197 HydrophobicContact CD-CE2 3.92Å; K195-Y197 HydrophobicContact CG-CD2 4.38Å; K195-Y197 HydrophobicContact CG-CE2 3.77Å; K195-Y197 WeakPolarHBondContact O-CD2 3.43Å
196	S	96.8	Very high	96	Very high	36 Å²	36	20.6 Å²	20.6	25%	0.252	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.4	178.3	-66.3	0	0	0	0	111.7	L189	L189-S196 WeakPolarHBondContact O-CA 3.49Å
197	Y	97.8	Very high	95.9	Very high	14 Å²	14	20.8 Å²	20.8	6%	0.055	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	149	178.4	-72.7	-94.5	0	0	0	109.3	L127 V188 L189 D191 K195 V434	L127-Y197 HydrophobicContact CB-CD1 4.38Å; L127-Y197 HydrophobicContact CD2-CD1 4.28Å; L127-Y197 HydrophobicContact CD2-CE1 3.96Å; L127-Y197 WeakPolarHBondContact O-CA 3.29Å; L127-Y197 WeakPolarHBondContact O-CD1 3.36Å; V188-Y197 WeakPolarHBondContact CA-O 3.16Å; L189-Y197 PolarHBondContact N-O 3.36Å; L189-Y197 PolarHBondContact O-N 2.97Å; D191-Y197 HydrophobicContact CB-CD2 4.3Å; D191-Y197 HydrophobicContact CB-CE2 4.06Å; K195-Y197 HydrophobicContact CB-CE2 4.05Å; K195-Y197 HydrophobicContact CD-CE2 3.92Å; K195-Y197 HydrophobicContact CG-CD2 4.38Å; K195-Y197 HydrophobicContact CG-CE2 3.77Å; K195-Y197 WeakPolarHBondContact O-CD2 3.43Å; Y197-V434 HydrophobicContact CD1-CG2 3.92Å; Y197-V434 HydrophobicContact CD2-CG2 3.85Å; Y197-V434 HydrophobicContact CE1-CG1 3.85Å; Y197-V434 HydrophobicContact CE1-CG2 4.07Å; Y197-V434 HydrophobicContact CE2-CG1 4.14Å; Y197-V434 HydrophobicContact CE2-CG2 4.02Å; Y197-V434 HydrophobicContact CG-CG2 3.81Å
198	L	98.1	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123	173.2	-171.6	75.3	0	0	0	109.1	L118 L121 M122 L127 I128 R129 T186 V188 N547	L118-L198 HydrophobicContact CD1-CD1 4.33Å; L118-L198 HydrophobicContact CD2-CD1 4.36Å; L118-L198 HydrophobicContact CG-CD1 3.77Å; L121-L198 HydrophobicContact CB-CB 4.14Å; M122-L198 HydrophobicContact CB-CD2 4.4Å; M122-L198 HydrophobicContact CG-CD2 3.6Å; L127-L198 PolarHBondContact O-N 3.08Å; I128-L198 CarbonylContact C-O 3.54Å; I128-L198 WeakPolarHBondContact CA-O 3.43Å; I128-L198 HydrophobicContact CD1-CD2 4.47Å; I128-L198 HydrophobicContact CG1-CB 4.27Å; I128-L198 HydrophobicContact CG1-CD2 4.01Å; I128-L198 HydrophobicContact CG2-CD2 4.34Å; R129-L198 PolarHBondContact N-O 3.42Å; T186-L198 HydrophobicContact CG2-CD1 3.74Å; T186-L198 HydrophobicContact CG2-CD2 4.44Å; T186-L198 HydrophobicContact CG2-CG 4.17Å; V188-L198 HydrophobicContact CG2-CD1 4.05Å; L198-N547 VanDerWaalsContact CD2-OD1 3.3Å; L198-N547 WeakPolarHBondContact CD2-OD1 3.47Å
199	F	98.2	Very high	95.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.5	178.5	-89.3	-102.2	0	0	0	109.5	R129 V131 T186 M187 L189 I201 F429 V430 C433 V434	R129-F199 HydrophobicContact CB-CD1 4.21Å; R129-F199 HydrophobicContact CB-CE1 4.09Å; R129-F199 HydrophobicContact CB-CZ 4.25Å; R129-F199 HydrophobicContact CG-CZ 4.27Å; V131-F199 HydrophobicContact CG2-CD1 4.3Å; V131-F199 HydrophobicContact CG2-CE1 4.32Å; T186-F199 WeakPolarHBondContact CA-O 3.32Å; M187-F199 PolarHBondContact N-O 3.25Å; M187-F199 PolarHBondContact O-N 3.15Å; L189-F199 HydrophobicContact CB-CD2 3.98Å; L189-F199 HydrophobicContact CB-CE2 4.35Å; L189-F199 HydrophobicContact CD1-CB 4.07Å; L189-F199 HydrophobicContact CD1-CD1 4.33Å; L189-F199 HydrophobicContact CD1-CD2 4.09Å; L189-F199 HydrophobicContact CD1-CG 3.9Å; L189-F199 HydrophobicContact CG-CD2 4.36Å; F199-I201 HydrophobicContact CB-CD1 4.1Å; F199-I201 HydrophobicContact CB-CG1 4.01Å; F199-I201 HydrophobicContact CD1-CD1 4.33Å; F199-I201 HydrophobicContact CD1-CG1 4.28Å; F199-F429 HydrophobicContact CD1-CE1 4.14Å; F199-F429 AromaticContact CE1-CE1 3.98Å; F199-F429 HydrophobicContact CE1-CE1 3.98Å; F199-V430 HydrophobicContact CE2-CB 4.47Å; F199-V430 HydrophobicContact CE2-CG1 3.77Å; F199-V430 HydrophobicContact CE2-CG2 4.39Å; F199-V430 HydrophobicContact CZ-CB 4.32Å; F199-V430 HydrophobicContact CZ-CG1 3.95Å; F199-V430 HydrophobicContact CZ-CG2 4.42Å; F199-C433 HydrophobicContact CE1-CB 3.48Å; F199-C433 VanDerWaalsContact CE1-CB 3.48Å; F199-C433 HydrophobicContact CZ-CB 3.75Å; F199-V434 HydrophobicContact CE2-CG2 4.31Å; F199-V434 HydrophobicContact CZ-CG2 4.15Å
200	N	98.2	Very high	95.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	100.2	166.6	-70	-32.9	0	0	0	107	R129 N130 V131 T186 W548	R129-N200 PolarHBondContact O-N 2.84Å; N130-N200 VanDerWaalsContact OD1-CB 3.3Å; N130-N200 WeakPolarHBondContact OD1-CB 3.45Å; N130-N200 PolarHBondContact OD1-ND2 3.07Å; V131-N200 PolarHBondContact N-O 2.72Å; T186-N200 WeakPolarHBondContact CB-OD1 3.47Å; T186-N200 WeakPolarHBondContact CG2-OD1 3.42Å; T186-N200 PolarHBondContact OG1-OD1 3.42Å; N200-W548 VanDerWaalsContact C-CZ3 3.49Å; N200-W548 HydrophobicContact CB-CD2 3.72Å; N200-W548 HydrophobicContact CB-CE3 3.63Å; N200-W548 HydrophobicContact CB-CG 4.26Å; N200-W548 HydrophobicContact CB-CH2 4.17Å; N200-W548 HydrophobicContact CB-CZ2 4.24Å; N200-W548 HydrophobicContact CB-CZ3 3.89Å; N200-W548 VanDerWaalsContact O-CH2 3.23Å; N200-W548 WeakPolarHBondContact O-CH2 3.36Å
201	I	98.4	Very high	95.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.2	-174.5	-61.9	175.4	0	0	0	108.8	V131 L133 V145 L148 P184 V185 L189 F199 F429	V131-I201 CarbonylContact O-C 3.6Å; V131-I201 WeakPolarHBondContact O-CA 3.47Å; L133-I201 HydrophobicContact CD1-CG2 3.62Å; L133-I201 HydrophobicContact CD2-CG2 4.01Å; L133-I201 HydrophobicContact CG-CG2 3.57Å; V145-I201 HydrophobicContact CG2-CG2 4.47Å; L148-I201 HydrophobicContact CD1-CD1 3.67Å; P184-I201 CarbonylContact C-O 3.53Å; P184-I201 WeakPolarHBondContact CA-O 3.33Å; V185-I201 PolarHBondContact N-O 3.01Å; V185-I201 PolarHBondContact O-N 3.13Å; L189-I201 HydrophobicContact CD1-CD1 4.38Å; F199-I201 HydrophobicContact CB-CD1 4.1Å; F199-I201 HydrophobicContact CB-CG1 4.01Å; F199-I201 HydrophobicContact CD1-CD1 4.33Å; F199-I201 HydrophobicContact CD1-CG1 4.28Å; I201-F429 HydrophobicContact CD1-CE1 4.22Å; I201-F429 HydrophobicContact CD1-CZ 4.47Å
202	M	98	Very high	95.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.4	170.4	-171.1	60.3	74.4	0	0	109.6	V131 T132 L133 P184 T204 S217 I220 F492 W548	V131-M202 PolarHBondContact O-N 3.3Å; T132-M202 HydrophobicContact CG2-CB 4.48Å; L133-M202 PolarHBondContact N-O 2.84Å; P184-M202 HydrophobicContact CB-CE 3.64Å; P184-M202 HydrophobicContact CB-SD 4.02Å; P184-M202 HydrophobicContact CG-CE 4.19Å; P184-M202 VanDerWaalsContact N-SD 3.4Å; M202-T204 HydrophobicContact CG-CG2 3.89Å; M202-S217 WeakPolarHBondContact CG-OG 3.48Å; M202-I220 HydrophobicContact CE-CD1 3.99Å; M202-F492 HydrophobicContact CE-CD1 4.08Å; M202-F492 HydrophobicContact CE-CE1 3.25Å; M202-F492 HydrophobicContact CE-CZ 3.86Å; M202-W548 HydrophobicContact CB-CH2 3.62Å; M202-W548 HydrophobicContact CB-CZ3 3.83Å; M202-W548 HydrophobicContact CE-CE3 4.36Å; M202-W548 HydrophobicContact CE-CZ3 4.02Å
203	D	97.9	Very high	95.9	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.032	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.4	169.4	-169.8	22.5	0	0	0	108.7	K141 T142 V145 T167 S182 T183	K141-D203 WeakPolarHBondContact CB-OD1 3.42Å; T142-D203 VanDerWaalsContact CA-OD2 3.27Å; T142-D203 WeakPolarHBondContact CA-OD2 3.47Å; T142-D203 PolarHBondContact OG1-OD2 3.48Å; T142-D203 VanDerWaalsContact OG1-OD2 3.1Å; V145-D203 HydrophobicContact CG2-CB 4.16Å; T167-D203 WeakPolarHBondContact CB-OD2 3.46Å; T167-D203 HydrophobicContact CG2-CB 4Å; T167-D203 PolarHBondContact OG1-OD2 2.73Å; S182-D203 CarbonylContact C-O 3.57Å; S182-D203 WeakPolarHBondContact CA-O 3.29Å; T183-D203 PolarHBondContact N-O 3.41Å; T183-D203 PolarHBondContact O-N 3.17Å
204	T	97	Very high	96.2	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.025	7%	0.073	C	C	.	.			trans	-113.3	150	-174.5	65.3	0	0	0	0	112.1	T132 L133 C134 K141 M202 V214 S217	T132-T204 HydrophobicContact CG2-CG2 3.43Å; T132-T204 VanDerWaalsContact CG2-CG2 3.43Å; L133-T204 PolarHBondContact O-N 3.44Å; L133-T204 PolarHBondContact O-OG1 2.79Å; C134-T204 WeakPolarHBondContact CA-OG1 2.95Å; K141-T204 WeakPolarHBondContact CE-O 3.35Å; M202-T204 HydrophobicContact CG-CG2 3.89Å; T204-V214 HydrophobicContact CG2-CG1 4.41Å; T204-S217 WeakPolarHBondContact CG2-OG 3.27Å
205	P	96.3	Very high	96.4	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.013	5%	0.045	C	C	.	.			trans	-63.4	139.5	177.8	28.2	-37.3	0	0	0	111.2	G179 F210 E213	G179-P205 WeakPolarHBondContact O-CB 3.41Å; P205-F210 HydrophobicContact CB-CB 3.76Å; P205-F210 HydrophobicContact CB-CD2 4.4Å; P205-F210 HydrophobicContact CB-CG 4.4Å; P205-F210 HydrophobicContact CG-CB 3.5Å; P205-F210 HydrophobicContact CG-CG 4.49Å; P205-F210 WeakPolarHBondContact CG-O 3.39Å; P205-E213 HydrophobicContact CG-CB 3.54Å; P205-E213 HydrophobicContact CG-CG 4.05Å
206	G	92.6	Very high	96.4	Very high	6 Å²	6	4 Å²	4	6%	0.062	3%	0.025	C	C	.	.			trans	-88.6	-17.2	-179.7	0	0	0	0	0	115.1	G135 H136 L137 N237	G135-G206 VanDerWaalsContact O-CA 3.28Å; G135-G206 WeakPolarHBondContact O-CA 3.35Å; H136-G206 CarbonylContact C-O 3.55Å; L137-G206 PolarHBondContact N-O 2.77Å; L137-G206 VanDerWaalsContact N-O 3.08Å; G206-N237 PolarHBondContact O-ND2 3.45Å
207	H	96.1	Very high	96.4	Very high	8 Å²	8	2.3 Å²	2.3	4%	0.037	1%	0.013	C	C	.	.	S	Bend	trans	-71.8	136.3	-179.1	-167.1	-78.1	0	0	0	110.1	L137 V178 N209 F210 L897	L137-H207 HydrophobicContact CD1-CB 4.09Å; V178-H207 HydrophobicContact CG1-CB 4Å; H207-N209 VanDerWaalsContact C-N 3.28Å; H207-N209 VanDerWaalsContact CE1-CG 3.49Å; H207-N209 PolarHBondContact CE1-ND2 3.07Å; H207-N209 PolarHBondContact ND1-N 3.24Å; H207-N209 PolarHBondContact O-N 2.7Å; H207-F210 HydrophobicContact CB-CD2 3.88Å; H207-F210 HydrophobicContact CB-CE2 4.39Å; H207-F210 PolarHBondContact O-N 3.28Å; H207-L897 WeakPolarHBondContact NE2-CD2 3.44Å
208	V	94.4	Very high	96.3	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.01	C	C	.	.	G	3₁₀ helix	trans	-64.5	-31.3	-170.9	71.1	0	0	0	0	113.6	F210 S211 L236 L897 S898 V899	V208-F210 PolarHBondContact O-N 3.31Å; V208-S211 VanDerWaalsContact O-CB 3.26Å; V208-S211 WeakPolarHBondContact O-CB 3.38Å; V208-S211 PolarHBondContact O-N 2.94Å; V208-S211 VanDerWaalsContact O-N 3.13Å; V208-S211 PolarHBondContact O-OG 3.35Å; V208-S211 VanDerWaalsContact O-OG 3.05Å; V208-L236 HydrophobicContact CG2-CD2 4.43Å; V208-L897 HydrophobicContact CG1-CB 4.12Å; V208-S898 VanDerWaalsContact CG1-O 3.26Å; V208-S898 WeakPolarHBondContact CG1-O 3.48Å; V208-V899 HydrophobicContact CG1-CB 4.19Å; V208-V899 HydrophobicContact CG2-CB 3.57Å; V208-V899 HydrophobicContact CG2-CG1 4.23Å; V208-V899 HydrophobicContact CG2-CG2 3.56Å
209	N	95.1	Very high	96.2	Very high	7 Å²	7	2.1 Å²	2.1	4%	0.037	1%	0.012	C	C	.	.	G	3₁₀ helix	trans	-63.7	-25.6	176	-62.6	-5	0	0	0	113.4	H207 S211 T631 Y635 S898	H207-N209 VanDerWaalsContact C-N 3.28Å; H207-N209 VanDerWaalsContact CE1-CG 3.49Å; H207-N209 PolarHBondContact CE1-ND2 3.07Å; H207-N209 PolarHBondContact ND1-N 3.24Å; H207-N209 PolarHBondContact O-N 2.7Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-T631 WeakPolarHBondContact CA-OG1 3.31Å; N209-T631 WeakPolarHBondContact CB-OG1 3.34Å; N209-T631 WeakPolarHBondContact O-CB 3.39Å; N209-T631 PolarHBondContact O-OG1 2.86Å; N209-Y635 VanDerWaalsContact O-CD2 3.28Å; N209-Y635 WeakPolarHBondContact O-CD2 3.35Å; N209-S898 PolarHBondContact OD1-O 3.1Å
210	F	96.6	Very high	96.1	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	G	3₁₀ helix	trans	-97.8	26	176.3	-55.4	-66.9	0	0	0	112	I180 P205 H207 V208 D212 E213 Y613 L634 Y635 C638	I180-F210 HydrophobicContact CB-CZ 4.44Å; I180-F210 HydrophobicContact CG1-CE2 4.23Å; I180-F210 HydrophobicContact CG1-CZ 4.17Å; I180-F210 HydrophobicContact CG2-CD1 4.29Å; I180-F210 HydrophobicContact CG2-CE1 3.8Å; I180-F210 HydrophobicContact CG2-CZ 3.99Å; P205-F210 HydrophobicContact CB-CB 3.76Å; P205-F210 HydrophobicContact CB-CD2 4.4Å; P205-F210 HydrophobicContact CB-CG 4.4Å; P205-F210 HydrophobicContact CG-CB 3.5Å; P205-F210 HydrophobicContact CG-CG 4.49Å; P205-F210 WeakPolarHBondContact CG-O 3.39Å; H207-F210 HydrophobicContact CB-CD2 3.88Å; H207-F210 HydrophobicContact CB-CE2 4.39Å; H207-F210 PolarHBondContact O-N 3.28Å; V208-F210 PolarHBondContact O-N 3.31Å; F210-D212 VanDerWaalsContact CA-OD1 3.3Å; F210-D212 WeakPolarHBondContact CA-OD1 3.47Å; F210-D212 PolarHBondContact O-N 3.34Å; F210-E213 HydrophobicContact CB-CG 4.33Å; F210-E213 WeakPolarHBondContact O-CB 3.24Å; F210-E213 PolarHBondContact O-N 3.46Å; F210-Y613 HydrophobicContact CE1-CE1 4.29Å; F210-L634 HydrophobicContact CE2-CD2 3.95Å; F210-L634 HydrophobicContact CE2-CG 4.06Å; F210-L634 HydrophobicContact CZ-CG 4.17Å; F210-Y635 AromaticContact CD1-CD2 3.37Å; F210-Y635 HydrophobicContact CD1-CD2 3.37Å; F210-Y635 AromaticContact CD1-CE2 3.89Å; F210-Y635 HydrophobicContact CD1-CE2 3.89Å; F210-Y635 HydrophobicContact CD1-CG 4.4Å; F210-Y635 AromaticContact CE1-CD2 3.48Å; F210-Y635 HydrophobicContact CE1-CD2 3.48Å; F210-Y635 VanDerWaalsContact CE1-CD2 3.48Å; F210-Y635 HydrophobicContact CE1-CE2 4.26Å; F210-Y635 HydrophobicContact CE1-CG 4.11Å; F210-Y635 HydrophobicContact CG-CD2 4.39Å; F210-C638 HydrophobicContact CE1-CB 4.47Å; F210-C638 HydrophobicContact CZ-CB 4.27Å
211	S	94.3	Very high	96	Very high	1 Å²	1	2.2 Å²	2.2	1%	0.007	1%	0.013	C	C	.	.	H	α-helix	trans	-64.5	-18.5	177.7	58.6	0	0	0	0	113.6	V208 N209 V214 T215 T583	V208-S211 VanDerWaalsContact O-CB 3.26Å; V208-S211 WeakPolarHBondContact O-CB 3.38Å; V208-S211 PolarHBondContact O-N 2.94Å; V208-S211 VanDerWaalsContact O-N 3.13Å; V208-S211 PolarHBondContact O-OG 3.35Å; V208-S211 VanDerWaalsContact O-OG 3.05Å; N209-S211 VanDerWaalsContact C-N 3.34Å; S211-V214 WeakPolarHBondContact O-CB 3.46Å; S211-V214 PolarHBondContact O-N 3.38Å; S211-T215 PolarHBondContact O-N 3.07Å; S211-T215 PolarHBondContact O-OG1 2.88Å; S211-T583 WeakPolarHBondContact OG-CG2 3.34Å
212	D	95.1	Very high	95.9	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-66	-38.9	173.9	61.7	-32.1	0	0	0	113.1	F210 V214 T215 S216 F581 P614 S615 Y635	F210-D212 VanDerWaalsContact CA-OD1 3.3Å; F210-D212 WeakPolarHBondContact CA-OD1 3.47Å; F210-D212 PolarHBondContact O-N 3.34Å; D212-V214 VanDerWaalsContact C-N 3.26Å; D212-V214 PolarHBondContact O-N 3.19Å; D212-T215 WeakPolarHBondContact O-CB 3.48Å; D212-T215 PolarHBondContact O-N 3.15Å; D212-S216 PolarHBondContact O-N 2.98Å; D212-F581 HydrophobicContact CB-CD1 3.68Å; D212-F581 HydrophobicContact CB-CE1 3.76Å; D212-P614 HydrophobicContact CB-CB 4.36Å; D212-S615 VanDerWaalsContact CB-CB 3.41Å; D212-S615 VanDerWaalsContact OD2-CB 3.27Å; D212-S615 WeakPolarHBondContact OD2-CB 3.36Å; D212-S615 PolarHBondContact OD2-N 3.06Å; D212-Y635 VanDerWaalsContact OD2-CE2 3.31Å; D212-Y635 WeakPolarHBondContact OD2-CE2 3.39Å; D212-Y635 PolarHBondContact OD2-OH 3.46Å
213	E	96.4	Very high	95.8	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-59.6	-39.2	171	-64.7	-76.4	172.7	0	0	110.8	K181 S182 P205 F210 S216 S217 K479	K181-E213 WeakPolarHBondContact CD-OE1 3.44Å; K181-E213 IonicContact NZ-OE1 2.98Å; K181-E213 PolarHBondContact NZ-OE1 3.26Å; S182-E213 PolarHBondContact N-OE2 3.29Å; S182-E213 PolarHBondContact OG-OE2 3.31Å; P205-E213 HydrophobicContact CG-CB 3.54Å; P205-E213 HydrophobicContact CG-CG 4.05Å; F210-E213 HydrophobicContact CB-CG 4.33Å; F210-E213 WeakPolarHBondContact O-CB 3.24Å; F210-E213 PolarHBondContact O-N 3.46Å; E213-S216 PolarHBondContact O-N 3.34Å; E213-S216 PolarHBondContact O-OG 3.28Å; E213-S217 PolarHBondContact O-N 3.19Å; E213-S217 VanDerWaalsContact O-N 3.17Å; E213-S217 PolarHBondContact O-OG 3.49Å; E213-K479 IonicContact OE1-NZ 3.9Å; E213-K479 PolarHBondContact OE1-NZ 2.71Å; E213-K479 WeakPolarHBondContact OE2-CD 3.19Å; E213-K479 WeakPolarHBondContact OE2-CE 3.4Å; E213-K479 IonicContact OE2-NZ 2.69Å; E213-K479 PolarHBondContact OE2-NZ 3.47Å
214	V	96.6	Very high	95.8	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-67.2	-41.4	175.9	-166.5	0	0	0	0	111.7	C134 T204 S211 D212 S217 M218 L241	C134-V214 HydrophobicContact CB-CG1 3.77Å; T204-V214 HydrophobicContact CG2-CG1 4.41Å; S211-V214 WeakPolarHBondContact O-CB 3.46Å; S211-V214 PolarHBondContact O-N 3.38Å; D212-V214 VanDerWaalsContact C-N 3.26Å; D212-V214 PolarHBondContact O-N 3.19Å; V214-S217 WeakPolarHBondContact O-CB 3.34Å; V214-S217 PolarHBondContact O-N 3.24Å; V214-M218 HydrophobicContact CG1-CE 3.87Å; V214-M218 HydrophobicContact CG1-CG 4.4Å; V214-M218 HydrophobicContact CG1-SD 4.47Å; V214-M218 WeakPolarHBondContact O-CG 3.42Å; V214-M218 PolarHBondContact O-N 2.93Å; V214-L241 HydrophobicContact CB-CD2 4.01Å; V214-L241 HydrophobicContact CG1-CD2 3.52Å; V214-L241 HydrophobicContact CG2-CD2 4.25Å
215	T	96.1	Very high	95.9	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-59.3	-46.9	175.9	-64.9	0	0	0	0	111.4	S211 D212 S217 M218 R219 H244 L579 K580 F581	S211-T215 PolarHBondContact O-N 3.07Å; S211-T215 PolarHBondContact O-OG1 2.88Å; D212-T215 WeakPolarHBondContact O-CB 3.48Å; D212-T215 PolarHBondContact O-N 3.15Å; T215-S217 PolarHBondContact O-N 3.1Å; T215-M218 PolarHBondContact O-N 3.21Å; T215-R219 PolarHBondContact O-N 3.34Å; T215-R219 VanDerWaalsContact O-N 3.15Å; T215-H244 WeakPolarHBondContact CB-NE2 3.17Å; T215-H244 WeakPolarHBondContact CG2-NE2 3.49Å; T215-H244 PolarHBondContact OG1-NE2 3.05Å; T215-L579 HydrophobicContact CG2-CB 4.13Å; T215-L579 HydrophobicContact CG2-CD2 4.38Å; T215-K580 WeakPolarHBondContact CG2-O 3.16Å; T215-F581 HydrophobicContact CG2-CD1 3.93Å; T215-F581 HydrophobicContact CG2-CE1 4.31Å
216	S	95.4	Very high	95.9	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-59.3	-39.3	178	71.8	0	0	0	0	111.9	D212 E213 R219 T478 K479	D212-S216 PolarHBondContact O-N 2.98Å; E213-S216 PolarHBondContact O-N 3.34Å; E213-S216 PolarHBondContact O-OG 3.28Å; S216-R219 PolarHBondContact O-N 3.32Å; S216-T478 PolarHBondContact O-OG1 3.48Å; S216-K479 WeakPolarHBondContact OG-CD 3.46Å; S216-K479 WeakPolarHBondContact OG-CG 3.22Å
217	S	95.6	Very high	96.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-68.9	-42	177.5	-58.6	0	0	0	0	113	T132 S182 M202 T204 E213 V214 T215 R219 I220 S221	T132-S217 PolarHBondContact OG1-O 3.49Å; T132-S217 VanDerWaalsContact OG1-O 3.13Å; S182-S217 WeakPolarHBondContact CB-OG 3.15Å; M202-S217 WeakPolarHBondContact CG-OG 3.48Å; T204-S217 WeakPolarHBondContact CG2-OG 3.27Å; E213-S217 PolarHBondContact O-N 3.19Å; E213-S217 VanDerWaalsContact O-N 3.17Å; E213-S217 PolarHBondContact O-OG 3.49Å; V214-S217 WeakPolarHBondContact O-CB 3.34Å; V214-S217 PolarHBondContact O-N 3.24Å; T215-S217 PolarHBondContact O-N 3.1Å; S217-R219 PolarHBondContact O-N 3.17Å; S217-I220 VanDerWaalsContact O-CG1 3.28Å; S217-I220 WeakPolarHBondContact O-CG1 3.48Å; S217-I220 PolarHBondContact O-N 3.19Å; S217-S221 WeakPolarHBondContact O-CB 3.4Å; S217-S221 PolarHBondContact O-N 2.77Å; S217-S221 PolarHBondContact O-OG 2.95Å; S217-S221 VanDerWaalsContact O-OG 3.12Å
218	M	95.9	Very high	96.3	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-63.1	-32.4	177.2	-74.9	-177.2	175.4	0	0	112	C134 V214 T215 I220 S221 V224 L241 H244 A245 M250 K447	C134-M218 HydrophobicContact CB-CE 4.47Å; V214-M218 HydrophobicContact CG1-CE 3.87Å; V214-M218 HydrophobicContact CG1-CG 4.4Å; V214-M218 HydrophobicContact CG1-SD 4.47Å; V214-M218 WeakPolarHBondContact O-CG 3.42Å; V214-M218 PolarHBondContact O-N 2.93Å; T215-M218 PolarHBondContact O-N 3.21Å; M218-I220 PolarHBondContact O-N 2.96Å; M218-S221 PolarHBondContact O-N 3.04Å; M218-V224 HydrophobicContact CE-CG1 4.22Å; M218-V224 HydrophobicContact CE-CG2 4.03Å; M218-V224 HydrophobicContact CG-CG2 4.09Å; M218-V224 HydrophobicContact SD-CG2 4.5Å; M218-L241 HydrophobicContact CE-CB 4.48Å; M218-L241 HydrophobicContact CE-CD2 4.04Å; M218-H244 PolarHBondContact SD-CD2 3.23Å; M218-A245 HydrophobicContact CE-CB 3.98Å; M218-A245 HydrophobicContact SD-CB 4.33Å; M218-M250 WeakPolarHBondContact O-CE 3.21Å; M218-K447 PolarHBondContact O-NZ 3.47Å; M218-K447 VanDerWaalsContact O-NZ 3.1Å
219	R	95.5	Very high	96.5	Very high	9 Å²	9	1.6 Å²	1.6	3%	0.034	1%	0.008	C	C	.	.	H	α-helix	trans	-62.9	-41.2	-178.7	-175.1	55	62.9	85.1	-2.5	112.6	T215 S216 S217 E248 K447 H476 T478 R577 P578 L579	T215-R219 PolarHBondContact O-N 3.34Å; T215-R219 VanDerWaalsContact O-N 3.15Å; S216-R219 PolarHBondContact O-N 3.32Å; S217-R219 PolarHBondContact O-N 3.17Å; R219-E248 IonicContact CZ-OE1 3.61Å; R219-E248 IonicContact CZ-OE2 3.64Å; R219-E248 IonicContact NE-OE1 3.22Å; R219-E248 IonicContact NE-OE2 3.69Å; R219-E248 PolarHBondContact NE-OE2 2.92Å; R219-E248 IonicContact NH2-OE1 2.89Å; R219-E248 PolarHBondContact NH2-OE1 2.81Å; R219-E248 IonicContact NH2-OE2 2.86Å; R219-E248 PolarHBondContact NH2-OE2 3.47Å; R219-K447 WeakPolarHBondContact O-CD 3.43Å; R219-K447 PolarHBondContact O-NZ 2.92Å; R219-K447 VanDerWaalsContact O-NZ 3.15Å; R219-H476 WeakPolarHBondContact CG-NE2 3.28Å; R219-T478 HydrophobicContact CB-CG2 4.17Å; R219-T478 HydrophobicContact CG-CG2 3.96Å; R219-R577 PolarHBondContact NH1-O 2.84Å; R219-P578 PolarHBondContact NH1-O 3.04Å; R219-L579 HydrophobicContact CB-CD2 3.69Å; R219-L579 HydrophobicContact CG-CD2 3.81Å
220	I	95.9	Very high	96.6	Very high	4 Å²	4	1.2 Å²	1.2	2%	0.021	1%	0.006	C	C	.	.	H	α-helix	trans	-86.9	-16.8	-179.1	59	172	0	0	0	114.5	M202 S217 M218 T478 F492 R494 W548	M202-I220 HydrophobicContact CE-CD1 3.99Å; S217-I220 VanDerWaalsContact O-CG1 3.28Å; S217-I220 WeakPolarHBondContact O-CG1 3.48Å; S217-I220 PolarHBondContact O-N 3.19Å; M218-I220 PolarHBondContact O-N 2.96Å; I220-T478 HydrophobicContact CG2-CG2 3.77Å; I220-T478 WeakPolarHBondContact CG2-OG1 3.43Å; I220-F492 HydrophobicContact CD1-CD1 3.98Å; I220-F492 HydrophobicContact CD1-CE1 3.39Å; I220-F492 HydrophobicContact CD1-CZ 4.39Å; I220-R494 HydrophobicContact CB-CB 4.22Å; I220-R494 HydrophobicContact CG2-CB 4.35Å; I220-R494 WeakPolarHBondContact O-CD 3.36Å; I220-R494 PolarHBondContact O-NH1 3.37Å; I220-R494 VanDerWaalsContact O-NH1 3.13Å; I220-W548 HydrophobicContact CD1-CD2 4.23Å; I220-W548 HydrophobicContact CD1-CZ2 4.2Å; I220-W548 HydrophobicContact CG1-CZ2 4.19Å; I220-W548 PolarHBondContact O-NE1 3.22Å
221	S	97.1	Very high	96.6	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.			trans	-85.9	162.2	179.7	-69.3	0	0	0	0	113.4	T132 S217 M218 M250 K447 W548	T132-S221 VanDerWaalsContact OG1-CB 3.25Å; T132-S221 WeakPolarHBondContact OG1-CB 3.49Å; T132-S221 PolarHBondContact OG1-OG 3.33Å; S217-S221 WeakPolarHBondContact O-CB 3.4Å; S217-S221 PolarHBondContact O-N 2.77Å; S217-S221 PolarHBondContact O-OG 2.95Å; S217-S221 VanDerWaalsContact O-OG 3.12Å; M218-S221 PolarHBondContact O-N 3.04Å; S221-M250 VanDerWaalsContact O-CE 3.31Å; S221-M250 WeakPolarHBondContact O-CE 3.4Å; S221-K447 WeakPolarHBondContact O-CE 3.14Å; S221-K447 PolarHBondContact O-NZ 3.28Å; S221-W548 VanDerWaalsContact OG-CZ2 3.23Å; S221-W548 WeakPolarHBondContact OG-CZ2 3.15Å
222	D	96.3	Very high	96.6	Very high	7 Å²	7	2.6 Å²	2.6	4%	0.037	1%	0.013	C	C	.	.	S	Bend	trans	-102.4	-20.6	173.7	-61.6	-60.4	0	0	0	112.3	N130 I437 P438 R494	N130-D222 WeakPolarHBondContact CB-OD2 3.26Å; N130-D222 PolarHBondContact ND2-OD2 2.9Å; N130-D222 PolarHBondContact O-N 3.23Å; D222-I437 HydrophobicContact CB-CG2 4.34Å; D222-P438 HydrophobicContact CB-CG 4.35Å; D222-R494 IonicContact OD1-CZ 2.83Å; D222-R494 IonicContact OD1-NH1 2.73Å; D222-R494 PolarHBondContact OD1-NH1 2.87Å; D222-R494 IonicContact OD1-NH2 2.78Å; D222-R494 PolarHBondContact OD1-NH2 3Å; D222-R494 IonicContact OD2-CZ 3.36Å; D222-R494 IonicContact OD2-NH1 2.72Å; D222-R494 PolarHBondContact OD2-NH1 3.18Å; D222-R494 IonicContact OD2-NH2 3.06Å; D222-R494 PolarHBondContact OD2-NH2 2.74Å
223	G	96.3	Very high	96.6	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	167.9	176.2	0	0	0	0	0	113.8	N130 T132 A251	N130-G223 PolarHBondContact O-N 2.92Å; T132-G223 PolarHBondContact N-O 3.24Å; G223-A251 CarbonylContact C-O 3.12Å; G223-A251 WeakPolarHBondContact CA-O 3.48Å
224	V	97.3	Very high	96.7	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.012	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.7	-176.8	176	0	0	0	0	109.4	T132 C134 M218 A245 M250 A251 T253	T132-V224 WeakPolarHBondContact O-CA 3.45Å; C134-V224 HydrophobicContact CB-CG1 4.44Å; C134-V224 WeakPolarHBondContact SG-CG1 3.48Å; M218-V224 HydrophobicContact CE-CG1 4.22Å; M218-V224 HydrophobicContact CE-CG2 4.03Å; M218-V224 HydrophobicContact CG-CG2 4.09Å; M218-V224 HydrophobicContact SD-CG2 4.5Å; V224-A245 HydrophobicContact CG2-CB 4.28Å; V224-M250 HydrophobicContact CG2-CB 4.04Å; V224-M250 HydrophobicContact CG2-CE 3.83Å; V224-M250 HydrophobicContact CG2-CG 4.27Å; V224-A251 PolarHBondContact N-O 3.48Å; V224-T253 PolarHBondContact O-N 3.4Å; V224-T253 PolarHBondContact O-OG1 3.29Å
225	V	98.3	Very high	96.6	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.6	168.1	-178	0	0	0	0	107.9	V131 T132 L133 C134 F227 T253 C255 F429 M432 I437	V131-V225 HydrophobicContact CG1-CB 4.32Å; V131-V225 HydrophobicContact CG1-CG2 3.39Å; T132-V225 PolarHBondContact O-N 2.73Å; L133-V225 HydrophobicContact CD2-CB 3.86Å; L133-V225 HydrophobicContact CD2-CG1 4.47Å; L133-V225 HydrophobicContact CD2-CG2 4.14Å; C134-V225 PolarHBondContact N-O 3.12Å; V225-F227 HydrophobicContact CB-CE2 4.31Å; V225-F227 HydrophobicContact CG1-CD2 4.2Å; V225-F227 HydrophobicContact CG1-CE2 3.69Å; V225-F227 HydrophobicContact CG1-CZ 4.41Å; V225-T253 WeakPolarHBondContact CA-O 3.47Å; V225-T253 VanDerWaalsContact CG2-OG1 3.28Å; V225-T253 WeakPolarHBondContact CG2-OG1 3.21Å; V225-C255 HydrophobicContact CG1-CB 3.85Å; V225-F429 HydrophobicContact CB-CE2 4.45Å; V225-F429 HydrophobicContact CG1-CE2 4.16Å; V225-F429 HydrophobicContact CG2-CE2 3.86Å; V225-F429 HydrophobicContact CG2-CZ 4.45Å; V225-M432 HydrophobicContact CG1-CE 3.87Å; V225-M432 HydrophobicContact CG2-CE 4.07Å; V225-I437 HydrophobicContact CG2-CD1 4.21Å
226	L	98.2	Very high	96.6	Very high	3 Å²	3	4 Å²	4	2%	0.016	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.1	-178.3	-174.7	69	0	0	0	110.9	C134 I228 T238 L241 I242 T253 I254 C255	C134-L226 CarbonylContact O-C 3.51Å; C134-L226 WeakPolarHBondContact O-CA 3.37Å; L226-I228 HydrophobicContact CD2-CD1 4.1Å; L226-I228 HydrophobicContact CD2-CG1 4.37Å; L226-I228 HydrophobicContact CG-CD1 4.45Å; L226-I228 HydrophobicContact CG-CG1 4.21Å; L226-T238 HydrophobicContact CD1-CG2 4.11Å; L226-T238 HydrophobicContact CD2-CG2 3.73Å; L226-T238 HydrophobicContact CG-CG2 4.09Å; L226-L241 HydrophobicContact CD1-CB 4.27Å; L226-I242 HydrophobicContact CD2-CD1 3.65Å; L226-I242 HydrophobicContact CD2-CG1 3.42Å; L226-I242 VanDerWaalsContact CD2-CG1 3.42Å; L226-T253 PolarHBondContact N-O 3.45Å; L226-I254 WeakPolarHBondContact O-CA 3.45Å; L226-C255 PolarHBondContact O-N 3.15Å
227	F	98.4	Very high	96.5	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.6	177.8	-80.1	-104.3	0	0	0	111.7	L133 C134 H139 K141 F144 V225 C255 N257	L133-F227 HydrophobicContact CB-CD2 4.28Å; L133-F227 HydrophobicContact CB-CE2 3.86Å; L133-F227 HydrophobicContact CD1-CE2 4.14Å; L133-F227 HydrophobicContact CD1-CZ 4.34Å; L133-F227 HydrophobicContact CD2-CE2 3.97Å; L133-F227 HydrophobicContact CG-CE2 4.18Å; C134-F227 PolarHBondContact O-N 3.45Å; H139-F227 HydrophobicContact CB-CB 4.22Å; H139-F227 PolarHBondContact ND1-O 3.46Å; K141-F227 HydrophobicContact CG-CB 3.82Å; K141-F227 HydrophobicContact CG-CD1 4.38Å; K141-F227 HydrophobicContact CG-CD2 3.97Å; K141-F227 HydrophobicContact CG-CG 3.8Å; F144-F227 HydrophobicContact CB-CE1 3.64Å; F144-F227 HydrophobicContact CB-CZ 3.91Å; F144-F227 HydrophobicContact CD1-CE1 4.12Å; F144-F227 AromaticContact CD1-CZ 3.62Å; F144-F227 HydrophobicContact CD1-CZ 3.62Å; F144-F227 AromaticContact CD2-CE1 3.74Å; F144-F227 HydrophobicContact CD2-CE1 3.74Å; F144-F227 HydrophobicContact CD2-CZ 4.04Å; F144-F227 HydrophobicContact CE1-CZ 4.1Å; F144-F227 HydrophobicContact CE2-CE1 4.41Å; F144-F227 HydrophobicContact CE2-CZ 4.48Å; F144-F227 AromaticContact CG-CE1 3.57Å; F144-F227 HydrophobicContact CG-CE1 3.57Å; F144-F227 AromaticContact CG-CZ 3.59Å; F144-F227 HydrophobicContact CG-CZ 3.59Å; F144-F227 HydrophobicContact CZ-CZ 4.5Å; V225-F227 HydrophobicContact CB-CE2 4.31Å; V225-F227 HydrophobicContact CG1-CD2 4.2Å; V225-F227 HydrophobicContact CG1-CE2 3.69Å; V225-F227 HydrophobicContact CG1-CZ 4.41Å; F227-C255 WeakPolarHBondContact CA-O 3.3Å; F227-C255 HydrophobicContact CD1-CB 4.04Å; F227-C255 HydrophobicContact CD2-CB 4.29Å; F227-C255 HydrophobicContact CE1-CB 3.92Å; F227-C255 WeakPolarHBondContact CE1-SG 3.46Å; F227-C255 HydrophobicContact CE2-CB 4.16Å; F227-C255 HydrophobicContact CG-CB 4.23Å; F227-C255 HydrophobicContact CZ-CB 3.97Å; F227-N257 HydrophobicContact CD1-CB 3.94Å; F227-N257 HydrophobicContact CE1-CB 4.48Å
228	I	98.3	Very high	96.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.1	179.7	-52.4	-179.4	0	0	0	108.6	H139 L226 A230 G233 V234 T238 I254 C255 I256 N257 I280 V284	H139-I228 WeakPolarHBondContact ND1-CA 3.37Å; L226-I228 HydrophobicContact CD2-CD1 4.1Å; L226-I228 HydrophobicContact CD2-CG1 4.37Å; L226-I228 HydrophobicContact CG-CD1 4.45Å; L226-I228 HydrophobicContact CG-CG1 4.21Å; I228-A230 PolarHBondContact O-N 3.29Å; I228-G233 VanDerWaalsContact CG2-C 3.48Å; I228-G233 VanDerWaalsContact CG2-O 3.23Å; I228-G233 WeakPolarHBondContact CG2-O 3.45Å; I228-V234 HydrophobicContact CD1-CG2 4.41Å; I228-T238 HydrophobicContact CD1-CG2 3.96Å; I228-T238 HydrophobicContact CG1-CG2 3.89Å; I228-I254 HydrophobicContact CD1-CG2 3.88Å; I228-I254 HydrophobicContact CG1-CG2 4.32Å; I228-C255 PolarHBondContact N-O 2.87Å; I228-I256 CarbonylContact O-C 3.51Å; I228-I256 WeakPolarHBondContact O-CA 3.34Å; I228-N257 PolarHBondContact O-N 3.36Å; I228-I280 HydrophobicContact CB-CG2 4.34Å; I228-I280 HydrophobicContact CD1-CG2 3.96Å; I228-I280 HydrophobicContact CG2-CG2 3.77Å; I228-V284 HydrophobicContact CD1-CG2 3.49Å; I228-V284 VanDerWaalsContact CD1-CG2 3.49Å
229	D	98	Very high	96.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.7	173.7	-178	-39.4	0	0	0	109.7	H139 A231 E232 G233 K258 R261	H139-D229 PolarHBondContact CE1-N 3.23Å; H139-D229 PolarHBondContact ND1-N 3.44Å; D229-A231 VanDerWaalsContact C-N 3.29Å; D229-A231 PolarHBondContact O-N 3.02Å; D229-A231 WeakPolarHBondContact OD1-CB 3.28Å; D229-A231 PolarHBondContact OD1-N 3.21Å; D229-E232 HydrophobicContact CB-CB 4Å; D229-E232 PolarHBondContact OD1-N 2.85Å; D229-G233 WeakPolarHBondContact O-CA 3.03Å; D229-G233 PolarHBondContact O-N 3.01Å; D229-K258 WeakPolarHBondContact OD2-CD 3.23Å; D229-K258 VanDerWaalsContact OD2-CE 3.24Å; D229-K258 WeakPolarHBondContact OD2-CE 3.3Å; D229-K258 IonicContact OD2-NZ 2.98Å; D229-K258 PolarHBondContact OD2-NZ 2.8Å; D229-R261 IonicContact OD1-NH1 3.85Å; D229-R261 PolarHBondContact OD1-NH1 3.19Å; D229-R261 IonicContact OD2-CZ 2.78Å; D229-R261 IonicContact OD2-NH1 3.37Å; D229-R261 PolarHBondContact OD2-NH1 3.05Å
230	A	97.4	Very high	96.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30.7	-175.8	0	0	0	0	0	113.5	I228 I256 N257 V259 L262 K276 L277	I228-A230 PolarHBondContact O-N 3.29Å; A230-I256 HydrophobicContact CB-CG2 3.83Å; A230-N257 WeakPolarHBondContact CB-O 3.47Å; A230-N257 PolarHBondContact N-O 2.93Å; A230-V259 HydrophobicContact CB-CG1 4.21Å; A230-L262 HydrophobicContact CB-CD1 3.96Å; A230-L262 HydrophobicContact CB-CD2 4.21Å; A230-L262 HydrophobicContact CB-CG 3.91Å; A230-L262 WeakPolarHBondContact O-CD2 3.5Å; A230-K276 WeakPolarHBondContact O-CE 3.46Å; A230-K276 WeakPolarHBondContact O-CG 3.25Å; A230-L277 HydrophobicContact CB-CD2 4.16Å
231	A	95.6	Very high	96.5	Very high	2 Å²	2	7.7 Å²	7.7	2%	0.017	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-47.1	179.4	0	0	0	0	0	111.2	D229 R261 L266 K276	D229-A231 VanDerWaalsContact C-N 3.29Å; D229-A231 PolarHBondContact O-N 3.02Å; D229-A231 WeakPolarHBondContact OD1-CB 3.28Å; D229-A231 PolarHBondContact OD1-N 3.21Å; A231-R261 HydrophobicContact CB-CB 3.9Å; A231-L266 HydrophobicContact CB-CD1 3.85Å; A231-K276 VanDerWaalsContact O-CE 3.28Å; A231-K276 WeakPolarHBondContact O-CE 3.42Å; A231-K276 PolarHBondContact O-NZ 3.38Å
232	E	95.2	Very high	96.4	Very high	28 Å²	28	7.8 Å²	7.8	13%	0.131	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-53.8	-179.2	-88.8	173.6	-124.3	0	0	111.5	H139 D229 M235 R261 K276 Q836 I862	H139-E232 IonicContact NE2-OE2 3.38Å; D229-E232 HydrophobicContact CB-CB 4Å; D229-E232 PolarHBondContact OD1-N 2.85Å; E232-M235 HydrophobicContact CB-CE 3.32Å; E232-M235 HydrophobicContact CG-CE 3.55Å; E232-R261 IonicContact OE1-NH1 3.53Å; E232-R261 PolarHBondContact OE1-NH1 3.19Å; E232-R261 VanDerWaalsContact OE1-NH1 3.1Å; E232-K276 PolarHBondContact O-NZ 3.32Å; E232-Q836 PolarHBondContact OE2-NE2 3.41Å; E232-Q836 PolarHBondContact OE2-OE1 3.44Å; E232-I862 WeakPolarHBondContact O-CG2 3.27Å
233	G	95.9	Very high	96.3	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	5%	0.048	C	C	.	.			trans	92.4	-153.2	-175.7	0	0	0	0	0	112.8	I228 D229	I228-G233 VanDerWaalsContact CG2-C 3.48Å; I228-G233 VanDerWaalsContact CG2-O 3.23Å; I228-G233 WeakPolarHBondContact CG2-O 3.45Å; D229-G233 WeakPolarHBondContact O-CA 3.03Å; D229-G233 PolarHBondContact O-N 3.01Å
234	V	96.6	Very high	96.2	Very high	18 Å²	18	10.5 Å²	10.5	11%	0.109	5%	0.049	C	C	.	.	S	Bend	trans	-74.5	128.4	179.2	-176.5	0	0	0	0	109.2	I228 T238 E283 V284 L287	I228-V234 HydrophobicContact CD1-CG2 4.41Å; V234-T238 HydrophobicContact CG1-CG2 3.94Å; V234-E283 HydrophobicContact CB-CG 4.15Å; V234-E283 WeakPolarHBondContact CB-OE2 3.34Å; V234-E283 HydrophobicContact CG2-CB 4.12Å; V234-E283 HydrophobicContact CG2-CG 3.88Å; V234-E283 WeakPolarHBondContact CG2-OE2 3.31Å; V234-V284 HydrophobicContact CG2-CG2 3.76Å; V234-L287 HydrophobicContact CG1-CD1 3.73Å
235	M	95.9	Very high	96	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.02	5%	0.049	C	C	.	.			trans	-126.2	174.4	-175.7	-65.4	-61	-172.1	0	0	110.7	H136 E232 N237 T238 E239 E834 Q836 I862	H136-M235 HydrophobicContact CB-CB 4.13Å; H136-M235 VanDerWaalsContact CD2-CB 3.47Å; H136-M235 WeakPolarHBondContact CD2-CB 3.28Å; E232-M235 HydrophobicContact CB-CE 3.32Å; E232-M235 HydrophobicContact CG-CE 3.55Å; M235-N237 PolarHBondContact O-N 3.42Å; M235-T238 WeakPolarHBondContact O-CA 3.39Å; M235-T238 VanDerWaalsContact O-CB 3.24Å; M235-T238 WeakPolarHBondContact O-CB 3.05Å; M235-T238 PolarHBondContact O-N 3.4Å; M235-E239 PolarHBondContact O-N 2.7Å; M235-E239 VanDerWaalsContact O-N 3.08Å; M235-E834 WeakPolarHBondContact CA-OE1 3.44Å; M235-Q836 VanDerWaalsContact CE-CD 3.41Å; M235-Q836 HydrophobicContact CE-CG 4.12Å; M235-Q836 HydrophobicContact SD-CG 4.36Å; M235-Q836 PolarHBondContact SD-NE2 2.86Å; M235-I862 HydrophobicContact CE-CD1 3.7Å
236	L	94.6	Very high	95.8	Very high	5 Å²	5	11.4 Å²	11.4	3%	0.026	5%	0.054	C	C	.	.	H	α-helix	trans	-38.8	-62.6	-179.4	174	55.6	0	0	0	114.3	V208 T238 E239 R240 F832 E834 L897 V899	V208-L236 HydrophobicContact CG2-CD2 4.43Å; L236-T238 VanDerWaalsContact C-N 3.27Å; L236-T238 PolarHBondContact O-N 3.35Å; L236-E239 PolarHBondContact O-N 3.29Å; L236-R240 HydrophobicContact CD1-CG 4.28Å; L236-R240 WeakPolarHBondContact O-CG 3.33Å; L236-R240 PolarHBondContact O-N 2.78Å; L236-R240 VanDerWaalsContact O-N 3.15Å; L236-F832 HydrophobicContact CD1-CD1 3.51Å; L236-F832 HydrophobicContact CD1-CE1 3.64Å; L236-E834 WeakPolarHBondContact CA-OE2 3.37Å; L236-E834 HydrophobicContact CB-CB 3.89Å; L236-E834 HydrophobicContact CB-CG 4.37Å; L236-E834 WeakPolarHBondContact CB-OE2 3.29Å; L236-E834 HydrophobicContact CD2-CB 4.14Å; L236-E834 VanDerWaalsContact N-CD 3.32Å; L236-E834 PolarHBondContact N-OE1 3.33Å; L236-E834 PolarHBondContact N-OE2 2.79Å; L236-L897 HydrophobicContact CD2-CB 3.9Å; L236-V899 HydrophobicContact CD1-CG1 3.93Å; L236-V899 HydrophobicContact CD2-CG1 3.93Å; L236-V899 HydrophobicContact CG-CG1 4.35Å
237	N	95.3	Very high	95.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-71.5	-26	-174.3	-156.1	24.2	0	0	0	111.4	H136 G206 M235 R240 L241	H136-N237 HydrophobicContact CB-CB 4.22Å; G206-N237 PolarHBondContact O-ND2 3.45Å; M235-N237 PolarHBondContact O-N 3.42Å; N237-R240 PolarHBondContact O-N 2.79Å; N237-L241 VanDerWaalsContact O-CB 3.23Å; N237-L241 WeakPolarHBondContact O-CB 3.22Å; N237-L241 WeakPolarHBondContact O-CD1 3.49Å; N237-L241 WeakPolarHBondContact O-CG 3.16Å; N237-L241 PolarHBondContact O-N 2.94Å
238	T	95.9	Very high	95	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.8	-48.9	173.8	-52	0	0	0	0	110.5	L226 I228 V234 M235 L236 R240 L241 I242	L226-T238 HydrophobicContact CD1-CG2 4.11Å; L226-T238 HydrophobicContact CD2-CG2 3.73Å; L226-T238 HydrophobicContact CG-CG2 4.09Å; I228-T238 HydrophobicContact CD1-CG2 3.96Å; I228-T238 HydrophobicContact CG1-CG2 3.89Å; V234-T238 HydrophobicContact CG1-CG2 3.94Å; M235-T238 WeakPolarHBondContact O-CA 3.39Å; M235-T238 VanDerWaalsContact O-CB 3.24Å; M235-T238 WeakPolarHBondContact O-CB 3.05Å; M235-T238 PolarHBondContact O-N 3.4Å; L236-T238 VanDerWaalsContact C-N 3.27Å; L236-T238 PolarHBondContact O-N 3.35Å; T238-R240 PolarHBondContact O-N 2.97Å; T238-L241 PolarHBondContact O-N 2.92Å; T238-I242 HydrophobicContact CG2-CD1 4.2Å; T238-I242 WeakPolarHBondContact O-CD1 3.38Å; T238-I242 VanDerWaalsContact O-CG1 3.27Å; T238-I242 WeakPolarHBondContact O-CG1 3.08Å; T238-I242 PolarHBondContact O-N 3.02Å
239	E	95.1	Very high	94.7	Very high	57 Å²	57	21.2 Å²	21.2	27%	0.266	10%	0.095	S	C	.	.	H	α-helix	trans	-59.1	-46.6	176.5	179.5	179.4	163.2	0	0	111.5	M235 L236 L241 I242 K243 L287 Y291 K871	M235-E239 PolarHBondContact O-N 2.7Å; M235-E239 VanDerWaalsContact O-N 3.08Å; L236-E239 PolarHBondContact O-N 3.29Å; E239-L241 PolarHBondContact O-N 3.11Å; E239-I242 PolarHBondContact O-N 3.47Å; E239-K243 PolarHBondContact O-N 3.35Å; E239-L287 HydrophobicContact CB-CD1 4.07Å; E239-L287 HydrophobicContact CG-CD1 4.09Å; E239-L287 HydrophobicContact CG-CD2 3.94Å; E239-Y291 HydrophobicContact CG-CE2 4.37Å; E239-Y291 WeakPolarHBondContact CG-OH 2.94Å; E239-Y291 PolarHBondContact OE1-OH 3.09Å; E239-Y291 VanDerWaalsContact OE1-OH 3.06Å; E239-K871 IonicContact OE2-NZ 3.51Å
240	R	94.3	Very high	94.5	Very high	34 Å²	34	21.7 Å²	21.7	13%	0.128	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-39.8	-179.6	-71.5	-179.3	61.2	79.4	4.6	113.2	L236 N237 T238 K243 H244 N582 V899	L236-R240 HydrophobicContact CD1-CG 4.28Å; L236-R240 WeakPolarHBondContact O-CG 3.33Å; L236-R240 PolarHBondContact O-N 2.78Å; L236-R240 VanDerWaalsContact O-N 3.15Å; N237-R240 PolarHBondContact O-N 2.79Å; T238-R240 PolarHBondContact O-N 2.97Å; R240-K243 PolarHBondContact O-N 3.48Å; R240-H244 WeakPolarHBondContact O-CB 3.44Å; R240-H244 PolarHBondContact O-N 3.4Å; R240-N582 VanDerWaalsContact NH2-C 3.33Å; R240-N582 PolarHBondContact NH2-O 3.48Å; R240-N582 PolarHBondContact NH2-OD1 3.48Å; R240-N582 PolarHBondContact O-ND2 3.12Å; R240-V899 VanDerWaalsContact CZ-CG2 3.48Å
241	L	96.3	Very high	94.3	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-73	-33.1	178.6	-69.9	172.5	0	0	0	111.9	C134 G135 V214 M218 L226 N237 T238 E239 H244 A245	C134-L241 HydrophobicContact CB-CD1 3.88Å; G135-L241 VanDerWaalsContact N-CD1 3.34Å; V214-L241 HydrophobicContact CB-CD2 4.01Å; V214-L241 HydrophobicContact CG1-CD2 3.52Å; V214-L241 HydrophobicContact CG2-CD2 4.25Å; M218-L241 HydrophobicContact CE-CB 4.48Å; M218-L241 HydrophobicContact CE-CD2 4.04Å; L226-L241 HydrophobicContact CD1-CB 4.27Å; N237-L241 VanDerWaalsContact O-CB 3.23Å; N237-L241 WeakPolarHBondContact O-CB 3.22Å; N237-L241 WeakPolarHBondContact O-CD1 3.49Å; N237-L241 WeakPolarHBondContact O-CG 3.16Å; N237-L241 PolarHBondContact O-N 2.94Å; T238-L241 PolarHBondContact O-N 2.92Å; E239-L241 PolarHBondContact O-N 3.11Å; L241-H244 PolarHBondContact O-N 2.91Å; L241-A245 WeakPolarHBondContact O-CB 3.24Å; L241-A245 PolarHBondContact O-N 3.33Å
242	I	95.8	Very high	94.3	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-51.4	169.8	-69.2	162	0	0	0	109.7	L226 T238 E239 H244 A245 V246 V284 L287 L288 Y291	L226-I242 HydrophobicContact CD2-CD1 3.65Å; L226-I242 HydrophobicContact CD2-CG1 3.42Å; L226-I242 VanDerWaalsContact CD2-CG1 3.42Å; T238-I242 HydrophobicContact CG2-CD1 4.2Å; T238-I242 WeakPolarHBondContact O-CD1 3.38Å; T238-I242 VanDerWaalsContact O-CG1 3.27Å; T238-I242 WeakPolarHBondContact O-CG1 3.08Å; T238-I242 PolarHBondContact O-N 3.02Å; E239-I242 PolarHBondContact O-N 3.47Å; I242-H244 VanDerWaalsContact C-N 3.29Å; I242-H244 PolarHBondContact O-N 3.19Å; I242-A245 PolarHBondContact O-N 2.76Å; I242-V246 HydrophobicContact CG2-CG2 4.49Å; I242-V246 WeakPolarHBondContact O-CG2 3.41Å; I242-V246 PolarHBondContact O-N 2.85Å; I242-V284 HydrophobicContact CD1-CG1 3.82Å; I242-V284 HydrophobicContact CD1-CG2 4.31Å; I242-L287 HydrophobicContact CD1-CB 4.34Å; I242-L287 HydrophobicContact CD1-CD1 3.78Å; I242-L287 HydrophobicContact CG2-CB 4.34Å; I242-L288 HydrophobicContact CG2-CD2 3.66Å; I242-L288 HydrophobicContact CG2-CG 4.13Å; I242-Y291 HydrophobicContact CG2-CD2 4.21Å
243	K	93.5	Very high	94.4	Very high	59 Å²	59	22 Å²	22	26%	0.257	10%	0.102	S	C	.	.	H	α-helix	trans	-53.8	-48.5	177.3	-178	-177.2	174.7	-172.4	0	111.1	E239 R240 V246 Q247 Y291	E239-K243 PolarHBondContact O-N 3.35Å; R240-K243 PolarHBondContact O-N 3.48Å; K243-V246 PolarHBondContact O-N 2.83Å; K243-Q247 VanDerWaalsContact O-CG 3.28Å; K243-Q247 WeakPolarHBondContact O-CG 3.38Å; K243-Q247 PolarHBondContact O-N 3.5Å; K243-Y291 HydrophobicContact CB-CD1 4.26Å; K243-Y291 HydrophobicContact CB-CD2 3.92Å; K243-Y291 HydrophobicContact CB-CE1 4.19Å; K243-Y291 HydrophobicContact CB-CE2 3.8Å; K243-Y291 HydrophobicContact CB-CG 4.14Å; K243-Y291 HydrophobicContact CD-CD1 4.32Å; K243-Y291 HydrophobicContact CD-CE1 3.95Å; K243-Y291 HydrophobicContact CG-CD1 3.91Å; K243-Y291 HydrophobicContact CG-CD2 4.44Å; K243-Y291 HydrophobicContact CG-CE1 3.97Å; K243-Y291 HydrophobicContact CG-CE2 4.46Å; K243-Y291 HydrophobicContact CG-CG 4.16Å
244	H	94.1	Very high	94.5	Very high	4 Å²	4	22 Å²	22	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-68.9	-41.2	-177.1	-167.6	49.6	0	0	0	113	T215 M218 R240 L241 I242 V246 Q247 E248 K580 N582	T215-H244 WeakPolarHBondContact CB-NE2 3.17Å; T215-H244 WeakPolarHBondContact CG2-NE2 3.49Å; T215-H244 PolarHBondContact OG1-NE2 3.05Å; M218-H244 PolarHBondContact SD-CD2 3.23Å; R240-H244 WeakPolarHBondContact O-CB 3.44Å; R240-H244 PolarHBondContact O-N 3.4Å; L241-H244 PolarHBondContact O-N 2.91Å; I242-H244 VanDerWaalsContact C-N 3.29Å; I242-H244 PolarHBondContact O-N 3.19Å; H244-V246 VanDerWaalsContact C-N 3.33Å; H244-V246 PolarHBondContact O-N 3.07Å; H244-Q247 PolarHBondContact O-N 2.73Å; H244-E248 PolarHBondContact O-N 3.28Å; H244-K580 PolarHBondContact CE1-O 3.48Å; H244-N582 HydrophobicContact CB-CB 4.49Å
245	A	94.5	Very high	94.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-38.2	176.9	0	0	0	0	0	112.4	M218 V224 L241 I242 R249 M250 I252	M218-A245 HydrophobicContact CE-CB 3.98Å; M218-A245 HydrophobicContact SD-CB 4.33Å; V224-A245 HydrophobicContact CG2-CB 4.28Å; L241-A245 WeakPolarHBondContact O-CB 3.24Å; L241-A245 PolarHBondContact O-N 3.33Å; I242-A245 PolarHBondContact O-N 2.76Å; A245-R249 PolarHBondContact O-N 3.29Å; A245-M250 HydrophobicContact CB-CB 4.38Å; A245-M250 WeakPolarHBondContact O-CB 3.01Å; A245-M250 PolarHBondContact O-N 3.17Å; A245-I252 HydrophobicContact CB-CD1 3.88Å; A245-I252 HydrophobicContact CB-CG1 4.05Å
246	V	92.8	Very high	94.7	Very high	20 Å²	20	21 Å²	21	12%	0.121	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-43.1	173.7	172.8	0	0	0	0	110.9	I242 K243 H244 E248 R249 I252 L288	I242-V246 HydrophobicContact CG2-CG2 4.49Å; I242-V246 WeakPolarHBondContact O-CG2 3.41Å; I242-V246 PolarHBondContact O-N 2.85Å; K243-V246 PolarHBondContact O-N 2.83Å; H244-V246 VanDerWaalsContact C-N 3.33Å; H244-V246 PolarHBondContact O-N 3.07Å; V246-E248 PolarHBondContact O-N 3.48Å; V246-R249 PolarHBondContact O-N 3.31Å; V246-R249 VanDerWaalsContact O-N 3.08Å; V246-I252 HydrophobicContact CG2-CD1 3.63Å; V246-L288 HydrophobicContact CG2-CD2 3.8Å
247	Q	89.8	Confident	94.9	Very high	65 Å²	65	20.8 Å²	20.8	30%	0.304	9%	0.094	S	C	.	.	H	α-helix	trans	-62.6	-39	178.5	-74.7	175.3	-24.1	0	0	112.9	K243 H244 R249 H450	K243-Q247 VanDerWaalsContact O-CG 3.28Å; K243-Q247 WeakPolarHBondContact O-CG 3.38Å; K243-Q247 PolarHBondContact O-N 3.5Å; H244-Q247 PolarHBondContact O-N 2.73Å; Q247-R249 PolarHBondContact O-N 3.42Å; Q247-H450 PolarHBondContact O-CE1 2.96Å
248	E	90.6	Very high	95	Very high	7 Å²	7	22.8 Å²	22.8	3%	0.033	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	8.5	175.4	-69.8	-80.1	154.1	0	0	113.2	R219 H244 V246 M250 H450	R219-E248 IonicContact CZ-OE1 3.61Å; R219-E248 IonicContact CZ-OE2 3.64Å; R219-E248 IonicContact NE-OE1 3.22Å; R219-E248 IonicContact NE-OE2 3.69Å; R219-E248 PolarHBondContact NE-OE2 2.92Å; R219-E248 IonicContact NH2-OE1 2.89Å; R219-E248 PolarHBondContact NH2-OE1 2.81Å; R219-E248 IonicContact NH2-OE2 2.86Å; R219-E248 PolarHBondContact NH2-OE2 3.47Å; H244-E248 PolarHBondContact O-N 3.28Å; V246-E248 PolarHBondContact O-N 3.48Å; E248-M250 VanDerWaalsContact C-N 3.34Å; E248-M250 HydrophobicContact CB-CG 3.98Å; E248-M250 PolarHBondContact O-N 2.84Å; E248-H450 IonicContact OE1-NE2 2.57Å; E248-H450 IonicContact OE2-CD2 3.28Å; E248-H450 IonicContact OE2-NE2 2.92Å
249	R	92.3	Very high	95	Very high	138 Å²	138	23.1 Å²	23.1	52%	0.521	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	41.1	177.8	-56.2	-174.9	179	177.6	3.8	114.4	A245 V246 Q247 I446 D449	A245-R249 PolarHBondContact O-N 3.29Å; V246-R249 PolarHBondContact O-N 3.31Å; V246-R249 VanDerWaalsContact O-N 3.08Å; Q247-R249 PolarHBondContact O-N 3.42Å; R249-I446 HydrophobicContact CB-CG2 3.86Å; R249-D449 IonicContact CZ-OD2 2.87Å; R249-D449 IonicContact NH1-OD2 3.33Å; R249-D449 PolarHBondContact NH1-OD2 3.04Å; R249-D449 IonicContact NH2-OD2 2.71Å
250	M	92.3	Very high	95	Very high	9 Å²	9	21 Å²	21	4%	0.044	10%	0.095	C	C	.	.			trans	-87.4	149	-177.4	-60	-68.7	-73.5	0	0	112	M218 S221 V224 A245 E248 K447	M218-M250 WeakPolarHBondContact O-CE 3.21Å; S221-M250 VanDerWaalsContact O-CE 3.31Å; S221-M250 WeakPolarHBondContact O-CE 3.4Å; V224-M250 HydrophobicContact CG2-CB 4.04Å; V224-M250 HydrophobicContact CG2-CE 3.83Å; V224-M250 HydrophobicContact CG2-CG 4.27Å; A245-M250 HydrophobicContact CB-CB 4.38Å; A245-M250 WeakPolarHBondContact O-CB 3.01Å; A245-M250 PolarHBondContact O-N 3.17Å; E248-M250 VanDerWaalsContact C-N 3.34Å; E248-M250 HydrophobicContact CB-CG 3.98Å; E248-M250 PolarHBondContact O-N 2.84Å; M250-K447 PolarHBondContact SD-NZ 2.88Å
251	A	94.6	Very high	95.1	Very high	21 Å²	21	21.5 Å²	21.5	17%	0.174	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.3	165.1	0	0	0	0	0	110.1	G223 V224 H436	G223-A251 CarbonylContact C-O 3.12Å; G223-A251 WeakPolarHBondContact CA-O 3.48Å; V224-A251 PolarHBondContact N-O 3.48Å; A251-H436 WeakPolarHBondContact CB-O 3.14Å
252	I	95.7	Very high	95.1	Very high	17 Å²	17	21.6 Å²	21.6	9%	0.087	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.5	-175.3	-60.1	172.4	0	0	0	110.1	A245 V246 L288	A245-I252 HydrophobicContact CB-CD1 3.88Å; A245-I252 HydrophobicContact CB-CG1 4.05Å; V246-I252 HydrophobicContact CG2-CD1 3.63Å; I252-L288 HydrophobicContact CD1-CD2 3.65Å
253	T	97.1	Very high	95	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158.7	171.5	59.6	0	0	0	0	109.6	V224 V225 L226 N305 M432 H436 I437	V224-T253 PolarHBondContact O-N 3.4Å; V224-T253 PolarHBondContact O-OG1 3.29Å; V225-T253 WeakPolarHBondContact CA-O 3.47Å; V225-T253 VanDerWaalsContact CG2-OG1 3.28Å; V225-T253 WeakPolarHBondContact CG2-OG1 3.21Å; L226-T253 PolarHBondContact N-O 3.45Å; T253-N305 WeakPolarHBondContact CA-O 2.98Å; T253-N305 HydrophobicContact CG2-CB 4.31Å; T253-M432 HydrophobicContact CG2-CG 4.03Å; T253-H436 HydrophobicContact CG2-CB 3.68Å; T253-I437 HydrophobicContact CG2-CG1 4.18Å
254	I	97.6	Very high	95	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.7	-172.5	-56.7	175.7	0	0	0	110.6	L226 I228 I256 V284 V299 N305 V306 C307	L226-I254 WeakPolarHBondContact O-CA 3.45Å; I228-I254 HydrophobicContact CD1-CG2 3.88Å; I228-I254 HydrophobicContact CG1-CG2 4.32Å; I254-I256 HydrophobicContact CG2-CG1 4Å; I254-V284 HydrophobicContact CD1-CB 3.93Å; I254-V284 HydrophobicContact CD1-CG1 3.44Å; I254-V284 VanDerWaalsContact CD1-CG1 3.44Å; I254-V284 HydrophobicContact CD1-CG2 4.17Å; I254-V299 HydrophobicContact CD1-CB 3.7Å; I254-V299 HydrophobicContact CD1-CG1 3.8Å; I254-V299 HydrophobicContact CD1-CG2 3.54Å; I254-V299 HydrophobicContact CG1-CG1 4.23Å; I254-N305 PolarHBondContact N-O 3.37Å; I254-V306 HydrophobicContact CB-CG1 4.35Å; I254-V306 HydrophobicContact CB-CG2 4.26Å; I254-V306 HydrophobicContact CG2-CG1 4.47Å; I254-V306 CarbonylContact O-C 3.46Å; I254-V306 VanDerWaalsContact O-CA 3.29Å; I254-V306 WeakPolarHBondContact O-CA 3.49Å; I254-C307 PolarHBondContact O-N 3.01Å
255	C	98.3	Very high	94.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	106.2	167	-176.2	0	0	0	0	109.3	V225 L226 F227 I228 N257 C307	V225-C255 HydrophobicContact CG1-CB 3.85Å; L226-C255 PolarHBondContact O-N 3.15Å; F227-C255 WeakPolarHBondContact CA-O 3.3Å; F227-C255 HydrophobicContact CD1-CB 4.04Å; F227-C255 HydrophobicContact CD2-CB 4.29Å; F227-C255 HydrophobicContact CE1-CB 3.92Å; F227-C255 WeakPolarHBondContact CE1-SG 3.46Å; F227-C255 HydrophobicContact CE2-CB 4.16Å; F227-C255 HydrophobicContact CG-CB 4.23Å; F227-C255 HydrophobicContact CZ-CB 3.97Å; I228-C255 PolarHBondContact N-O 2.87Å; C255-N257 PolarHBondContact O-N 3.29Å; C255-C307 VanDerWaalsContact CA-SG 3.52Å; C255-C307 WeakPolarHBondContact CB-SG 3.45Å
256	I	98.4	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	97.2	171.2	-57.5	174	0	0	0	107.2	I228 A230 I254 V259 L277 I280 V281 V306 C307 F308 A309	I228-I256 CarbonylContact O-C 3.51Å; I228-I256 WeakPolarHBondContact O-CA 3.34Å; A230-I256 HydrophobicContact CB-CG2 3.83Å; I254-I256 HydrophobicContact CG2-CG1 4Å; I256-V259 HydrophobicContact CG2-CG1 4.43Å; I256-V259 WeakPolarHBondContact O-CG1 3.33Å; I256-L277 HydrophobicContact CG2-CD2 3.61Å; I256-I280 HydrophobicContact CD1-CB 4.41Å; I256-I280 HydrophobicContact CD1-CG2 4.04Å; I256-I280 HydrophobicContact CG1-CG2 4.23Å; I256-I280 HydrophobicContact CG2-CD1 4.33Å; I256-V281 HydrophobicContact CD1-CG2 3.82Å; I256-V306 HydrophobicContact CD1-CG1 4Å; I256-V306 HydrophobicContact CG1-CG1 4.25Å; I256-C307 PolarHBondContact N-O 3.01Å; I256-F308 HydrophobicContact CB-CD1 4.14Å; I256-F308 HydrophobicContact CD1-CD1 4.3Å; I256-F308 HydrophobicContact CD1-CE1 3.86Å; I256-F308 WeakPolarHBondContact O-CA 3.44Å; I256-A309 PolarHBondContact O-N 3.34Å
257	N	98	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	169	-176.1	-163.1	16	0	0	0	111.5	H139 G140 F227 I228 A230 C255 V259 A309 S310 S311	H139-N257 PolarHBondContact O-ND2 3.3Å; G140-N257 WeakPolarHBondContact CA-ND2 3.2Å; G140-N257 PolarHBondContact O-ND2 2.93Å; F227-N257 HydrophobicContact CD1-CB 3.94Å; F227-N257 HydrophobicContact CE1-CB 4.48Å; I228-N257 PolarHBondContact O-N 3.36Å; A230-N257 WeakPolarHBondContact CB-O 3.47Å; A230-N257 PolarHBondContact N-O 2.93Å; C255-N257 PolarHBondContact O-N 3.29Å; N257-V259 VanDerWaalsContact C-N 3.28Å; N257-V259 PolarHBondContact O-N 2.93Å; N257-A309 CarbonylContact C-O 3.57Å; N257-A309 WeakPolarHBondContact CA-O 3.23Å; N257-A309 PolarHBondContact OD1-O 2.9Å; N257-S310 WeakPolarHBondContact OD1-CA 3.48Å; N257-S310 PolarHBondContact OD1-N 3.41Å; N257-S311 PolarHBondContact ND2-OG 3.22Å; N257-S311 PolarHBondContact OD1-N 3.45Å
258	K	97.4	Very high	95.3	Very high	42 Å²	42	34.2 Å²	34.2	18%	0.183	16%	0.159	C	C	.	.			trans	57.2	36.1	-179	-48.4	-156.1	-153.6	149.5	0	114.5	H138 D229 D260 R261 A309	H138-K258 WeakPolarHBondContact O-CE 3.46Å; H138-K258 PolarHBondContact O-NZ 3.22Å; D229-K258 WeakPolarHBondContact OD2-CD 3.23Å; D229-K258 VanDerWaalsContact OD2-CE 3.24Å; D229-K258 WeakPolarHBondContact OD2-CE 3.3Å; D229-K258 IonicContact OD2-NZ 2.98Å; D229-K258 PolarHBondContact OD2-NZ 2.8Å; K258-D260 WeakPolarHBondContact CA-OD1 3.22Å; K258-D260 PolarHBondContact O-N 2.96Å; K258-D260 VanDerWaalsContact O-N 3.11Å; K258-R261 HydrophobicContact CB-CG 4.02Å; K258-R261 HydrophobicContact CD-CG 4.48Å; K258-R261 WeakPolarHBondContact O-CB 3.36Å; K258-R261 PolarHBondContact O-N 3.24Å; K258-A309 PolarHBondContact N-O 3.15Å
259	V	96.9	Very high	95.6	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-22.2	175.8	-61.4	0	0	0	0	112.8	A230 I256 N257 R261 L262 L277 F308 A309 L376	A230-V259 HydrophobicContact CB-CG1 4.21Å; I256-V259 HydrophobicContact CG2-CG1 4.43Å; I256-V259 WeakPolarHBondContact O-CG1 3.33Å; N257-V259 VanDerWaalsContact C-N 3.28Å; N257-V259 PolarHBondContact O-N 2.93Å; V259-R261 VanDerWaalsContact C-N 3.29Å; V259-R261 PolarHBondContact O-N 3.03Å; V259-L262 WeakPolarHBondContact O-CB 3.29Å; V259-L262 PolarHBondContact O-N 3Å; V259-L277 HydrophobicContact CG1-CD2 4.22Å; V259-F308 HydrophobicContact CG1-CB 4.28Å; V259-F308 HydrophobicContact CG1-CD1 4.5Å; V259-A309 WeakPolarHBondContact CG2-O 3.48Å; V259-A309 PolarHBondContact N-O 2.91Å; V259-A309 VanDerWaalsContact N-O 3.1Å; V259-L376 HydrophobicContact CG2-CD2 4.5Å
260	D	95.4	Very high	95.8	Very high	12 Å²	12	32 Å²	32	6%	0.064	16%	0.164	C	C	.	.	H	α-helix	trans	-61.9	-31.7	173.9	63	-65.2	0	0	0	113	K258 L262 I263 V264 S310 Y313	K258-D260 WeakPolarHBondContact CA-OD1 3.22Å; K258-D260 PolarHBondContact O-N 2.96Å; K258-D260 VanDerWaalsContact O-N 3.11Å; D260-L262 VanDerWaalsContact C-N 3.26Å; D260-L262 PolarHBondContact O-N 2.94Å; D260-I263 WeakPolarHBondContact O-CA 3.5Å; D260-I263 WeakPolarHBondContact O-CB 3.38Å; D260-I263 PolarHBondContact O-N 3.45Å; D260-V264 PolarHBondContact O-N 2.84Å; D260-S310 VanDerWaalsContact OD1-CB 3.25Å; D260-S310 WeakPolarHBondContact OD1-CB 3.44Å; D260-S310 PolarHBondContact OD1-OG 3.39Å; D260-S310 VanDerWaalsContact OD1-OG 3.14Å; D260-Y313 HydrophobicContact CB-CD2 3.67Å; D260-Y313 HydrophobicContact CB-CE2 3.69Å; D260-Y313 VanDerWaalsContact OD2-CE2 3.29Å; D260-Y313 WeakPolarHBondContact OD2-CE2 3.42Å
261	R	95.9	Very high	95.9	Very high	46 Å²	46	33.3 Å²	33.3	17%	0.174	17%	0.172	C	C	.	.	I	π-helix	trans	-62.5	-33.3	176.8	-65.2	-178	69.1	-172.7	3.7	112.1	D229 A231 E232 K258 V259 I263 E265 L266	D229-R261 IonicContact OD1-NH1 3.85Å; D229-R261 PolarHBondContact OD1-NH1 3.19Å; D229-R261 IonicContact OD2-CZ 2.78Å; D229-R261 IonicContact OD2-NH1 3.37Å; D229-R261 PolarHBondContact OD2-NH1 3.05Å; A231-R261 HydrophobicContact CB-CB 3.9Å; E232-R261 IonicContact OE1-NH1 3.53Å; E232-R261 PolarHBondContact OE1-NH1 3.19Å; E232-R261 VanDerWaalsContact OE1-NH1 3.1Å; K258-R261 HydrophobicContact CB-CG 4.02Å; K258-R261 HydrophobicContact CD-CG 4.48Å; K258-R261 WeakPolarHBondContact O-CB 3.36Å; K258-R261 PolarHBondContact O-N 3.24Å; V259-R261 VanDerWaalsContact C-N 3.29Å; V259-R261 PolarHBondContact O-N 3.03Å; R261-I263 PolarHBondContact O-N 3.21Å; R261-E265 HydrophobicContact CB-CB 4.48Å; R261-E265 HydrophobicContact CB-CG 4.41Å; R261-E265 HydrophobicContact CG-CG 4.42Å; R261-E265 IonicContact CZ-OE2 3.17Å; R261-E265 IonicContact NE-OE1 2.72Å; R261-E265 IonicContact NE-OE2 2.7Å; R261-E265 PolarHBondContact NE-OE2 3.39Å; R261-E265 IonicContact NH2-OE2 2.75Å; R261-E265 PolarHBondContact NH2-OE2 2.99Å; R261-E265 WeakPolarHBondContact O-CB 3.33Å; R261-E265 PolarHBondContact O-N 3.26Å; R261-L266 PolarHBondContact O-N 3.09Å
262	L	96.3	Very high	95.9	Very high	3 Å²	3	36 Å²	36	2%	0.016	18%	0.184	C	C	.	.	I	π-helix	trans	-61.5	-29.5	174	-57.2	-173.7	0	0	0	112	A230 V259 D260 L266 K267 L268 A273 K276 L277	A230-L262 HydrophobicContact CB-CD1 3.96Å; A230-L262 HydrophobicContact CB-CD2 4.21Å; A230-L262 HydrophobicContact CB-CG 3.91Å; A230-L262 WeakPolarHBondContact O-CD2 3.5Å; V259-L262 WeakPolarHBondContact O-CB 3.29Å; V259-L262 PolarHBondContact O-N 3Å; D260-L262 VanDerWaalsContact C-N 3.26Å; D260-L262 PolarHBondContact O-N 2.94Å; L262-L266 HydrophobicContact CD2-CD1 3.88Å; L262-K267 PolarHBondContact O-N 2.64Å; L262-L268 HydrophobicContact CD2-CD1 4.2Å; L262-L268 PolarHBondContact O-N 2.71Å; L262-A273 HydrophobicContact CB-CB 4.25Å; L262-A273 HydrophobicContact CD1-CB 4.03Å; L262-K276 HydrophobicContact CD2-CG 4.09Å; L262-L277 HydrophobicContact CD1-CD1 4.49Å; L262-L277 HydrophobicContact CD1-CD2 3.93Å; L262-L277 HydrophobicContact CD1-CG 3.97Å
263	I	94.5	Very high	96	Very high	18 Å²	18	35.2 Å²	35.2	9%	0.092	18%	0.18	C	C	.	.	I	π-helix	trans	-96.4	-52.2	-169.4	-48.3	-174.7	0	0	0	110.6	D260 R261 K267 L376 Y377 L380	D260-I263 WeakPolarHBondContact O-CA 3.5Å; D260-I263 WeakPolarHBondContact O-CB 3.38Å; D260-I263 PolarHBondContact O-N 3.45Å; R261-I263 PolarHBondContact O-N 3.21Å; I263-K267 WeakPolarHBondContact O-CA 3.33Å; I263-L376 HydrophobicContact CD1-CD2 3.99Å; I263-L376 HydrophobicContact CD1-CG 3.94Å; I263-Y377 HydrophobicContact CB-CE1 4.31Å; I263-Y377 HydrophobicContact CB-CE2 4.36Å; I263-Y377 HydrophobicContact CD1-CD2 3.54Å; I263-Y377 HydrophobicContact CD1-CE2 3.44Å; I263-Y377 VanDerWaalsContact CD1-CE2 3.44Å; I263-Y377 HydrophobicContact CD1-CG 4.34Å; I263-Y377 HydrophobicContact CG1-CD2 3.91Å; I263-Y377 HydrophobicContact CG1-CE1 4.18Å; I263-Y377 HydrophobicContact CG1-CE2 3.41Å; I263-Y377 VanDerWaalsContact CG1-CE2 3.41Å; I263-Y377 HydrophobicContact CG2-CD1 3.79Å; I263-Y377 HydrophobicContact CG2-CD2 4.19Å; I263-Y377 HydrophobicContact CG2-CE1 3.86Å; I263-Y377 HydrophobicContact CG2-CE2 4.31Å; I263-Y377 HydrophobicContact CG2-CG 3.96Å; I263-L380 HydrophobicContact CB-CD1 4.29Å; I263-L380 HydrophobicContact CD1-CD1 3.33Å; I263-L380 HydrophobicContact CG1-CD1 4.31Å; I263-L380 HydrophobicContact CG2-CB 4.16Å; I263-L380 HydrophobicContact CG2-CD1 4.09Å
264	V	92.2	Very high	96	Very high	45 Å²	45	35.3 Å²	35.3	27%	0.273	18%	0.18	S	C	.	.	I	π-helix	trans	-91.1	-38.2	-170.8	-175.5	0	0	0	0	111.7	D260 K267 L380	D260-V264 PolarHBondContact O-N 2.84Å; V264-K267 WeakPolarHBondContact O-CE 3.14Å; V264-L380 HydrophobicContact CG2-CD2 4.25Å
265	E	93.2	Very high	95.9	Very high	112 Å²	112	39.2 Å²	39.2	52%	0.523	20%	0.195	S	C	.	.	I	π-helix	trans	-90.6	-63.6	-177.5	-60.5	-177.5	178.4	0	0	111.8	R261 K267	R261-E265 HydrophobicContact CB-CB 4.48Å; R261-E265 HydrophobicContact CB-CG 4.41Å; R261-E265 HydrophobicContact CG-CG 4.42Å; R261-E265 IonicContact CZ-OE2 3.17Å; R261-E265 IonicContact NE-OE1 2.72Å; R261-E265 IonicContact NE-OE2 2.7Å; R261-E265 PolarHBondContact NE-OE2 3.39Å; R261-E265 IonicContact NH2-OE2 2.75Å; R261-E265 PolarHBondContact NH2-OE2 2.99Å; R261-E265 WeakPolarHBondContact O-CB 3.33Å; R261-E265 PolarHBondContact O-N 3.26Å; E265-K267 VanDerWaalsContact C-N 3.3Å; E265-K267 PolarHBondContact O-N 3.48Å
266	L	94.4	Very high	95.9	Very high	45 Å²	45	39.8 Å²	39.8	24%	0.236	20%	0.198	C	C	.	.	S	Bend	trans	-75.4	-22	-177.2	-63.2	176.2	0	0	0	112.6	A231 R261 L262 L268 G864	A231-L266 HydrophobicContact CB-CD1 3.85Å; R261-L266 PolarHBondContact O-N 3.09Å; L262-L266 HydrophobicContact CD2-CD1 3.88Å; L266-L268 HydrophobicContact CB-CD1 4.48Å; L266-L268 HydrophobicContact CB-CD2 4.37Å; L266-L268 HydrophobicContact CB-CG 3.89Å; L266-L268 HydrophobicContact CD1-CD1 4.37Å; L266-L268 PolarHBondContact O-N 2.87Å; L266-G864 WeakPolarHBondContact CD1-O 3.39Å
267	K	95.2	Very high	95.8	Very high	161 Å²	161	39.9 Å²	39.9	70%	0.7	20%	0.198	S	C	*	.			trans	50.7	40.4	179.1	-59.3	177	-177.1	177.2	0	112.5	L262 I263 V264 E265	L262-K267 PolarHBondContact O-N 2.64Å; I263-K267 WeakPolarHBondContact O-CA 3.33Å; V264-K267 WeakPolarHBondContact O-CE 3.14Å; E265-K267 VanDerWaalsContact C-N 3.3Å; E265-K267 PolarHBondContact O-N 3.48Å
268	L	95.5	Very high	95.8	Very high	34 Å²	34	43.2 Å²	43.2	18%	0.178	21%	0.211	C	C	.	.			trans	-67.1	145.4	178.8	-64.1	-178.2	0	0	0	109.8	L262 L266 A273 Y377	L262-L268 HydrophobicContact CD2-CD1 4.2Å; L262-L268 PolarHBondContact O-N 2.71Å; L266-L268 HydrophobicContact CB-CD1 4.48Å; L266-L268 HydrophobicContact CB-CD2 4.37Å; L266-L268 HydrophobicContact CB-CG 3.89Å; L266-L268 HydrophobicContact CD1-CD1 4.37Å; L266-L268 PolarHBondContact O-N 2.87Å; L268-A273 HydrophobicContact CB-CB 4.24Å; L268-Y377 WeakPolarHBondContact O-CE1 3.07Å; L268-Y377 PolarHBondContact O-OH 3.41Å; L268-Y377 VanDerWaalsContact O-OH 3.07Å
269	P	96.1	Very high	95.7	Very high	69 Å²	69	44.4 Å²	44.4	45%	0.448	22%	0.217	S	C	.	.			trans	-57.4	147.4	165.9	-24.7	34.7	0	0	0	110.9	T271 D272 A273	P269-T271 PolarHBondContact O-N 3.1Å; P269-D272 WeakPolarHBondContact CG-OD2 3.27Å; P269-D272 PolarHBondContact O-N 2.88Å; P269-A273 PolarHBondContact O-N 3.04Å
270	P	95.9	Very high	95.8	Very high	31 Å²	31	44.1 Å²	44.1	20%	0.201	22%	0.215	C	C	.	.	H	α-helix	trans	-53.4	-33.1	-179.6	-29.7	35.2	0	0	0	114.3	Y274 V369 L373 Y377	P270-Y274 PolarHBondContact O-N 3.42Å; P270-V369 HydrophobicContact CB-CG1 3.66Å; P270-L373 HydrophobicContact CB-CB 4.21Å; P270-L373 WeakPolarHBondContact O-CD1 3.47Å; P270-Y377 HydrophobicContact CB-CE2 4.48Å; P270-Y377 HydrophobicContact CG-CD1 3.8Å; P270-Y377 HydrophobicContact CG-CD2 4.34Å; P270-Y377 HydrophobicContact CG-CE1 3.94Å; P270-Y377 HydrophobicContact CG-CE2 4.42Å; P270-Y377 HydrophobicContact CG-CG 4.01Å
271	T	94.9	Very high	95.8	Very high	36 Å²	36	43.8 Å²	43.8	22%	0.221	21%	0.213	C	C	.	.	H	α-helix	trans	-70.1	-38.2	177	-60.5	0	0	0	0	112.5	P269 Y274 Y275	P269-T271 PolarHBondContact O-N 3.1Å; T271-Y274 WeakPolarHBondContact O-CB 3.39Å; T271-Y274 PolarHBondContact O-N 3.23Å; T271-Y275 HydrophobicContact CG2-CD2 4.31Å; T271-Y275 HydrophobicContact CG2-CE2 3.72Å; T271-Y275 VanDerWaalsContact O-CD2 3.24Å; T271-Y275 WeakPolarHBondContact O-CD2 3.42Å; T271-Y275 PolarHBondContact O-N 3.34Å; T271-Y275 VanDerWaalsContact O-N 3.15Å
272	D	95.8	Very high	95.9	Very high	78 Å²	78	45.7 Å²	45.7	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-77	-36.6	180	-63.8	-23.1	0	0	0	111.3	P269 Y274 Y275 K276	P269-D272 WeakPolarHBondContact CG-OD2 3.27Å; P269-D272 PolarHBondContact O-N 2.88Å; D272-Y274 VanDerWaalsContact C-N 3.3Å; D272-Y274 PolarHBondContact O-N 3.49Å; D272-Y275 PolarHBondContact O-N 3.11Å; D272-Y275 VanDerWaalsContact O-N 3.12Å; D272-K276 PolarHBondContact O-N 3.29Å
273	A	96.4	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-41.3	169.4	0	0	0	0	0	111.7	L262 L268 P269 Y275 K276 L277 L373 Y377	L262-A273 HydrophobicContact CB-CB 4.25Å; L262-A273 HydrophobicContact CD1-CB 4.03Å; L268-A273 HydrophobicContact CB-CB 4.24Å; P269-A273 PolarHBondContact O-N 3.04Å; A273-Y275 VanDerWaalsContact C-N 3.34Å; A273-Y275 PolarHBondContact O-N 3.24Å; A273-K276 PolarHBondContact O-N 2.8Å; A273-L277 WeakPolarHBondContact O-CG 3.47Å; A273-L277 PolarHBondContact O-N 3.08Å; A273-L373 HydrophobicContact CB-CD1 4.48Å; A273-Y377 WeakPolarHBondContact CB-OH 3.48Å
274	Y	97	Very high	95.9	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-43.3	171.8	167.7	-105.6	0	0	0	112.3	P270 T271 D272 K276 L277 R278 W343 G344 R366 F368 V369	P270-Y274 PolarHBondContact O-N 3.42Å; T271-Y274 WeakPolarHBondContact O-CB 3.39Å; T271-Y274 PolarHBondContact O-N 3.23Å; D272-Y274 VanDerWaalsContact C-N 3.3Å; D272-Y274 PolarHBondContact O-N 3.49Å; Y274-K276 VanDerWaalsContact C-N 3.34Å; Y274-K276 PolarHBondContact O-N 3.18Å; Y274-L277 PolarHBondContact O-N 2.89Å; Y274-R278 WeakPolarHBondContact O-CB 3.38Å; Y274-R278 PolarHBondContact O-N 3.3Å; Y274-W343 HydrophobicContact CD2-CE3 4.29Å; Y274-W343 HydrophobicContact CD2-CH2 4.07Å; Y274-W343 AromaticContact CD2-CZ3 3.77Å; Y274-W343 HydrophobicContact CD2-CZ3 3.77Å; Y274-W343 HydrophobicContact CE2-CD2 4.06Å; Y274-W343 AromaticContact CE2-CE3 3.7Å; Y274-W343 HydrophobicContact CE2-CE3 3.7Å; Y274-W343 AromaticContact CE2-CH2 3.71Å; Y274-W343 HydrophobicContact CE2-CH2 3.71Å; Y274-W343 HydrophobicContact CE2-CZ2 4.08Å; Y274-W343 AromaticContact CE2-CZ3 3.52Å; Y274-W343 HydrophobicContact CE2-CZ3 3.52Å; Y274-G344 VanDerWaalsContact OH-CA 3.27Å; Y274-G344 WeakPolarHBondContact OH-CA 3.47Å; Y274-G344 PolarHBondContact OH-N 3.16Å; Y274-R366 HydrophobicContact CE1-CG 4.41Å; Y274-F368 HydrophobicContact CD2-CB 4.05Å; Y274-F368 AromaticContact CD2-CD1 3.48Å; Y274-F368 HydrophobicContact CD2-CD1 3.48Å; Y274-F368 VanDerWaalsContact CD2-CD1 3.48Å; Y274-F368 HydrophobicContact CD2-CE1 4.23Å; Y274-F368 HydrophobicContact CD2-CG 4.04Å; Y274-F368 HydrophobicContact CE2-CB 4.07Å; Y274-F368 HydrophobicContact CE2-CD1 4.15Å; Y274-F368 HydrophobicContact CE2-CG 4.29Å; Y274-F368 HydrophobicContact CG-CD1 4.39Å; Y274-V369 HydrophobicContact CD1-CG2 4.35Å; Y274-V369 HydrophobicContact CG-CG2 4Å
275	Y	96.5	Very high	96.1	Very high	84 Å²	84	47.8 Å²	47.8	33%	0.329	24%	0.235	S	C	.	.	H	α-helix	trans	-64.5	-37.4	176.4	-67.1	-48.9	0	0	0	112.6	T271 D272 A273 R278 H279 R366	T271-Y275 HydrophobicContact CG2-CD2 4.31Å; T271-Y275 HydrophobicContact CG2-CE2 3.72Å; T271-Y275 VanDerWaalsContact O-CD2 3.24Å; T271-Y275 WeakPolarHBondContact O-CD2 3.42Å; T271-Y275 PolarHBondContact O-N 3.34Å; T271-Y275 VanDerWaalsContact O-N 3.15Å; D272-Y275 PolarHBondContact O-N 3.11Å; D272-Y275 VanDerWaalsContact O-N 3.12Å; A273-Y275 VanDerWaalsContact C-N 3.34Å; A273-Y275 PolarHBondContact O-N 3.24Å; Y275-R278 PolarHBondContact O-N 3.48Å; Y275-H279 VanDerWaalsContact O-CB 3.24Å; Y275-H279 WeakPolarHBondContact O-CB 3.42Å; Y275-H279 PolarHBondContact O-N 3.3Å; Y275-R366 VanDerWaalsContact OH-CZ 3.23Å; Y275-R366 PolarHBondContact OH-NH1 3.02Å; Y275-R366 PolarHBondContact OH-NH2 3.19Å
276	K	96.9	Very high	96.2	Very high	11 Å²	11	44 Å²	44	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-48.1	173.5	177.2	60.4	172	177.3	0	111.4	A230 A231 E232 L262 D272 A273 Y274 R278 H279 I280 P863	A230-K276 WeakPolarHBondContact O-CE 3.46Å; A230-K276 WeakPolarHBondContact O-CG 3.25Å; A231-K276 VanDerWaalsContact O-CE 3.28Å; A231-K276 WeakPolarHBondContact O-CE 3.42Å; A231-K276 PolarHBondContact O-NZ 3.38Å; E232-K276 PolarHBondContact O-NZ 3.32Å; L262-K276 HydrophobicContact CD2-CG 4.09Å; D272-K276 PolarHBondContact O-N 3.29Å; A273-K276 PolarHBondContact O-N 2.8Å; Y274-K276 VanDerWaalsContact C-N 3.34Å; Y274-K276 PolarHBondContact O-N 3.18Å; K276-R278 VanDerWaalsContact C-N 3.34Å; K276-R278 PolarHBondContact O-N 3.26Å; K276-H279 WeakPolarHBondContact O-CB 3.48Å; K276-H279 PolarHBondContact O-N 3.41Å; K276-I280 WeakPolarHBondContact O-CG1 3.45Å; K276-I280 PolarHBondContact O-N 2.87Å; K276-P863 WeakPolarHBondContact CD-O 3.35Å; K276-P863 VanDerWaalsContact CE-O 3.26Å; K276-P863 WeakPolarHBondContact CE-O 3.26Å; K276-P863 PolarHBondContact NZ-O 3.48Å
277	L	97.4	Very high	96.2	Very high	2 Å²	2	43 Å²	43	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-43.2	176.6	-67.4	174	0	0	0	111.8	A230 I256 V259 L262 A273 Y274 I280 V281 F308 W343 F368 L373	A230-L277 HydrophobicContact CB-CD2 4.16Å; I256-L277 HydrophobicContact CG2-CD2 3.61Å; V259-L277 HydrophobicContact CG1-CD2 4.22Å; L262-L277 HydrophobicContact CD1-CD1 4.49Å; L262-L277 HydrophobicContact CD1-CD2 3.93Å; L262-L277 HydrophobicContact CD1-CG 3.97Å; A273-L277 WeakPolarHBondContact O-CG 3.47Å; A273-L277 PolarHBondContact O-N 3.08Å; Y274-L277 PolarHBondContact O-N 2.89Å; L277-I280 PolarHBondContact O-N 3.37Å; L277-V281 WeakPolarHBondContact O-CG2 3.29Å; L277-V281 PolarHBondContact O-N 3.27Å; L277-F308 HydrophobicContact CB-CE1 4.17Å; L277-F308 HydrophobicContact CD1-CD1 4.17Å; L277-F308 HydrophobicContact CD1-CE1 4Å; L277-F308 HydrophobicContact CD2-CD1 4.11Å; L277-F308 HydrophobicContact CD2-CE1 4.11Å; L277-F308 HydrophobicContact CG-CE1 4.32Å; L277-W343 HydrophobicContact CB-CH2 4.19Å; L277-F368 HydrophobicContact CD1-CE1 4.02Å; L277-L373 HydrophobicContact CD1-CD2 4.33Å
278	R	96.9	Very high	96.1	Very high	71 Å²	71	35.6 Å²	35.6	27%	0.268	19%	0.188	S	C	.	.	H	α-helix	trans	-63.7	-42.8	176.2	-172.5	-178.5	70.9	173.1	2.6	111.6	Y274 Y275 K276 I280 V281 D282 W343 D345	Y274-R278 WeakPolarHBondContact O-CB 3.38Å; Y274-R278 PolarHBondContact O-N 3.3Å; Y275-R278 PolarHBondContact O-N 3.48Å; K276-R278 VanDerWaalsContact C-N 3.34Å; K276-R278 PolarHBondContact O-N 3.26Å; R278-I280 VanDerWaalsContact C-N 3.32Å; R278-I280 PolarHBondContact O-N 3.27Å; R278-V281 PolarHBondContact O-N 2.97Å; R278-V281 VanDerWaalsContact O-N 3.15Å; R278-D282 VanDerWaalsContact O-CG 3.24Å; R278-D282 PolarHBondContact O-N 2.85Å; R278-W343 HydrophobicContact CB-CH2 4.17Å; R278-W343 HydrophobicContact CB-CZ2 3.91Å; R278-W343 HydrophobicContact CG-CZ2 4.08Å; R278-D345 IonicContact NH1-OD2 3.44Å
279	H	96.9	Very high	95.9	Very high	66 Å²	66	38.1 Å²	38.1	31%	0.306	21%	0.209	S	C	.	.	H	α-helix	trans	-59.9	-41.4	178.3	179	54.4	0	0	0	112.3	Y275 K276 V281 D282 E283 P863	Y275-H279 VanDerWaalsContact O-CB 3.24Å; Y275-H279 WeakPolarHBondContact O-CB 3.42Å; Y275-H279 PolarHBondContact O-N 3.3Å; K276-H279 WeakPolarHBondContact O-CB 3.48Å; K276-H279 PolarHBondContact O-N 3.41Å; H279-V281 VanDerWaalsContact C-N 3.35Å; H279-V281 PolarHBondContact O-N 2.75Å; H279-D282 PolarHBondContact O-N 3.17Å; H279-E283 WeakPolarHBondContact O-CB 3.48Å; H279-E283 PolarHBondContact O-N 3.3Å; H279-P863 WeakPolarHBondContact NE2-CG 3.11Å
280	I	97.5	Very high	95.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-46.6	174.3	-67.9	168.1	0	0	0	110.9	I228 I256 K276 L277 R278 D282 E283 V284	I228-I280 HydrophobicContact CB-CG2 4.34Å; I228-I280 HydrophobicContact CD1-CG2 3.96Å; I228-I280 HydrophobicContact CG2-CG2 3.77Å; I256-I280 HydrophobicContact CD1-CB 4.41Å; I256-I280 HydrophobicContact CD1-CG2 4.04Å; I256-I280 HydrophobicContact CG1-CG2 4.23Å; I256-I280 HydrophobicContact CG2-CD1 4.33Å; K276-I280 WeakPolarHBondContact O-CG1 3.45Å; K276-I280 PolarHBondContact O-N 2.87Å; L277-I280 PolarHBondContact O-N 3.37Å; R278-I280 VanDerWaalsContact C-N 3.32Å; R278-I280 PolarHBondContact O-N 3.27Å; I280-D282 VanDerWaalsContact C-N 3.34Å; I280-D282 PolarHBondContact O-N 3.11Å; I280-E283 PolarHBondContact O-N 2.81Å; I280-V284 WeakPolarHBondContact O-CG2 3.46Å; I280-V284 PolarHBondContact O-N 2.81Å
281	V	97.2	Very high	95.3	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-41.6	178	176.1	0	0	0	0	111.4	I256 L277 R278 H279 N285 V299 P301 V306	I256-V281 HydrophobicContact CD1-CG2 3.82Å; L277-V281 WeakPolarHBondContact O-CG2 3.29Å; L277-V281 PolarHBondContact O-N 3.27Å; R278-V281 PolarHBondContact O-N 2.97Å; R278-V281 VanDerWaalsContact O-N 3.15Å; H279-V281 VanDerWaalsContact C-N 3.35Å; H279-V281 PolarHBondContact O-N 2.75Å; V281-N285 PolarHBondContact O-N 2.85Å; V281-N285 PolarHBondContact O-ND2 3.04Å; V281-V299 WeakPolarHBondContact CG1-O 3.29Å; V281-P301 HydrophobicContact CG2-CG 4.48Å; V281-V306 HydrophobicContact CG2-CG1 4.3Å
282	D	96.1	Very high	94.9	Very high	86 Å²	86	40.9 Å²	40.9	46%	0.46	22%	0.217	S	C	.	.	H	α-helix	trans	-66.2	-40.7	179.3	-66.2	-23.2	0	0	0	111.5	R278 H279 I280 N285 G286	R278-D282 VanDerWaalsContact O-CG 3.24Å; R278-D282 PolarHBondContact O-N 2.85Å; H279-D282 PolarHBondContact O-N 3.17Å; I280-D282 VanDerWaalsContact C-N 3.34Å; I280-D282 PolarHBondContact O-N 3.11Å; D282-N285 PolarHBondContact O-N 3.34Å; D282-G286 PolarHBondContact O-N 3.02Å
283	E	96.1	Very high	94.1	Very high	76 Å²	76	43.7 Å²	43.7	36%	0.355	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-43.8	177.5	-173	174	-164.2	0	0	111.7	V234 H279 I280 N285 G286 L287	V234-E283 HydrophobicContact CB-CG 4.15Å; V234-E283 WeakPolarHBondContact CB-OE2 3.34Å; V234-E283 HydrophobicContact CG2-CB 4.12Å; V234-E283 HydrophobicContact CG2-CG 3.88Å; V234-E283 WeakPolarHBondContact CG2-OE2 3.31Å; H279-E283 WeakPolarHBondContact O-CB 3.48Å; H279-E283 PolarHBondContact O-N 3.3Å; I280-E283 PolarHBondContact O-N 2.81Å; E283-N285 PolarHBondContact O-N 3.3Å; E283-G286 WeakPolarHBondContact O-CA 3.45Å; E283-G286 PolarHBondContact O-N 3.1Å; E283-G286 VanDerWaalsContact O-N 3.12Å; E283-L287 PolarHBondContact O-N 2.75Å
284	V	96.4	Very high	93.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-41.2	175.7	178.3	0	0	0	0	111.5	I228 V234 I242 I254 I280 G286 L287 L288 V299	I228-V284 HydrophobicContact CD1-CG2 3.49Å; I228-V284 VanDerWaalsContact CD1-CG2 3.49Å; V234-V284 HydrophobicContact CG2-CG2 3.76Å; I242-V284 HydrophobicContact CD1-CG1 3.82Å; I242-V284 HydrophobicContact CD1-CG2 4.31Å; I254-V284 HydrophobicContact CD1-CB 3.93Å; I254-V284 HydrophobicContact CD1-CG1 3.44Å; I254-V284 VanDerWaalsContact CD1-CG1 3.44Å; I254-V284 HydrophobicContact CD1-CG2 4.17Å; I280-V284 WeakPolarHBondContact O-CG2 3.46Å; I280-V284 PolarHBondContact O-N 2.81Å; V284-G286 VanDerWaalsContact C-N 3.28Å; V284-G286 PolarHBondContact O-N 2.87Å; V284-L287 PolarHBondContact O-N 3.41Å; V284-L288 HydrophobicContact CG1-CD1 3.99Å; V284-L288 HydrophobicContact CG1-CG 4.29Å; V284-L288 WeakPolarHBondContact O-CG 3.48Å; V284-L288 PolarHBondContact O-N 2.69Å; V284-V299 HydrophobicContact CB-CG2 4.37Å; V284-V299 HydrophobicContact CG1-CG2 4.06Å
285	N	95.4	Very high	92	Very high	35 Å²	35	57.3 Å²	57.3	19%	0.187	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-37.8	172.8	-80.4	-54.5	0	0	0	112.2	V281 D282 E283 L288 S289 V299	V281-N285 PolarHBondContact O-N 2.85Å; V281-N285 PolarHBondContact O-ND2 3.04Å; D282-N285 PolarHBondContact O-N 3.34Å; E283-N285 PolarHBondContact O-N 3.3Å; N285-L288 PolarHBondContact O-N 3.31Å; N285-S289 WeakPolarHBondContact O-CB 3.3Å; N285-S289 PolarHBondContact O-N 2.98Å; N285-S289 PolarHBondContact O-OG 3.43Å; N285-V299 VanDerWaalsContact CG-CG2 3.49Å; N285-V299 PolarHBondContact ND2-O 2.98Å; N285-V299 WeakPolarHBondContact OD1-CG2 3.41Å; N285-V299 PolarHBondContact OD1-N 3.3Å; N285-V299 PolarHBondContact OD1-O 2.75Å
286	G	95.3	Very high	91.1	Very high	31 Å²	31	60.8 Å²	60.8	32%	0.32	33%	0.328	S	S	.	.	H	α-helix	trans	-59.2	-46.3	173.2	0	0	0	0	0	112.2	D282 E283 V284 S289 T290	D282-G286 PolarHBondContact O-N 3.02Å; E283-G286 WeakPolarHBondContact O-CA 3.45Å; E283-G286 PolarHBondContact O-N 3.1Å; E283-G286 VanDerWaalsContact O-N 3.12Å; V284-G286 VanDerWaalsContact C-N 3.28Å; V284-G286 PolarHBondContact O-N 2.87Å; G286-S289 PolarHBondContact O-N 2.75Å; G286-S289 PolarHBondContact O-OG 3.19Å; G286-T290 PolarHBondContact O-N 3.21Å; G286-T290 VanDerWaalsContact O-N 3.12Å; G286-T290 PolarHBondContact O-OG1 3.29Å
287	L	94.4	Very high	90.4	Very high	25 Å²	25	63.3 Å²	63.3	13%	0.131	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-44.8	176	-67.9	178.1	0	0	0	112.4	V234 E239 I242 E283 V284 S289 T290 Y291	V234-L287 HydrophobicContact CG1-CD1 3.73Å; E239-L287 HydrophobicContact CB-CD1 4.07Å; E239-L287 HydrophobicContact CG-CD1 4.09Å; E239-L287 HydrophobicContact CG-CD2 3.94Å; I242-L287 HydrophobicContact CD1-CB 4.34Å; I242-L287 HydrophobicContact CD1-CD1 3.78Å; I242-L287 HydrophobicContact CG2-CB 4.34Å; E283-L287 PolarHBondContact O-N 2.75Å; V284-L287 PolarHBondContact O-N 3.41Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 3.18Å; L287-T290 WeakPolarHBondContact O-CB 3.48Å; L287-T290 PolarHBondContact O-N 2.83Å; L287-Y291 HydrophobicContact CB-CE2 4.3Å; L287-Y291 HydrophobicContact CD2-CE2 4.27Å; L287-Y291 WeakPolarHBondContact O-CD2 3.39Å; L287-Y291 PolarHBondContact O-N 3.35Å
288	L	93.1	Very high	90.1	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-59.7	-42.8	176.4	-72.5	169.3	0	0	0	111.6	I242 V246 I252 V284 N285 T290 Y291 S292 V299	I242-L288 HydrophobicContact CG2-CD2 3.66Å; I242-L288 HydrophobicContact CG2-CG 4.13Å; V246-L288 HydrophobicContact CG2-CD2 3.8Å; I252-L288 HydrophobicContact CD1-CD2 3.65Å; V284-L288 HydrophobicContact CG1-CD1 3.99Å; V284-L288 HydrophobicContact CG1-CG 4.29Å; V284-L288 WeakPolarHBondContact O-CG 3.48Å; V284-L288 PolarHBondContact O-N 2.69Å; N285-L288 PolarHBondContact O-N 3.31Å; L288-T290 PolarHBondContact O-N 3.31Å; L288-Y291 PolarHBondContact O-N 3Å; L288-S292 WeakPolarHBondContact O-CB 3.24Å; L288-S292 PolarHBondContact O-N 2.85Å; L288-V299 HydrophobicContact CD1-CB 4.48Å; L288-V299 HydrophobicContact CD1-CG1 3.79Å; L288-V299 HydrophobicContact CD1-CG2 3.93Å
289	S	91.8	Very high	90	Very high	88 Å²	88	63.3 Å²	63.3	62%	0.615	35%	0.35	S	S	*	.	H	α-helix	trans	-67.2	-20.4	176.1	72.8	0	0	0	0	113.9	N285 G286 L287	N285-S289 WeakPolarHBondContact O-CB 3.3Å; N285-S289 PolarHBondContact O-N 2.98Å; N285-S289 PolarHBondContact O-OG 3.43Å; G286-S289 PolarHBondContact O-N 2.75Å; G286-S289 PolarHBondContact O-OG 3.19Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 3.18Å
290	T	91	Very high	89.9	Confident	103 Å²	103	61.3 Å²	61.3	63%	0.632	34%	0.343	S	S	*	.	H	α-helix	trans	-82.3	-40.1	177.3	-57.2	0	0	0	0	111.2	G286 L287 L288	G286-T290 PolarHBondContact O-N 3.21Å; G286-T290 VanDerWaalsContact O-N 3.12Å; G286-T290 PolarHBondContact O-OG1 3.29Å; L287-T290 WeakPolarHBondContact O-CB 3.48Å; L287-T290 PolarHBondContact O-N 2.83Å; L288-T290 PolarHBondContact O-N 3.31Å
291	Y	88.2	Confident	89.9	Confident	73 Å²	73	61.4 Å²	61.4	29%	0.286	34%	0.344	S	S	.	.	H	α-helix	trans	-94.8	-23.9	-174.8	-59.6	-52.6	0	0	0	114.4	E239 I242 K243 L287 L288	E239-Y291 HydrophobicContact CG-CE2 4.37Å; E239-Y291 WeakPolarHBondContact CG-OH 2.94Å; E239-Y291 PolarHBondContact OE1-OH 3.09Å; E239-Y291 VanDerWaalsContact OE1-OH 3.06Å; I242-Y291 HydrophobicContact CG2-CD2 4.21Å; K243-Y291 HydrophobicContact CB-CD1 4.26Å; K243-Y291 HydrophobicContact CB-CD2 3.92Å; K243-Y291 HydrophobicContact CB-CE1 4.19Å; K243-Y291 HydrophobicContact CB-CE2 3.8Å; K243-Y291 HydrophobicContact CB-CG 4.14Å; K243-Y291 HydrophobicContact CD-CD1 4.32Å; K243-Y291 HydrophobicContact CD-CE1 3.95Å; K243-Y291 HydrophobicContact CG-CD1 3.91Å; K243-Y291 HydrophobicContact CG-CD2 4.44Å; K243-Y291 HydrophobicContact CG-CE1 3.97Å; K243-Y291 HydrophobicContact CG-CE2 4.46Å; K243-Y291 HydrophobicContact CG-CG 4.16Å; L287-Y291 HydrophobicContact CB-CE2 4.3Å; L287-Y291 HydrophobicContact CD2-CE2 4.27Å; L287-Y291 WeakPolarHBondContact O-CD2 3.39Å; L287-Y291 PolarHBondContact O-N 3.35Å; L288-Y291 PolarHBondContact O-N 3Å
292	S	86.8	Confident	89.8	Confident	17 Å²	17	64.3 Å²	64.3	12%	0.119	36%	0.359	C	S	.	.			trans	-110.2	141.4	177.7	-169.9	0	0	0	0	111.7	L288 D294	L288-S292 WeakPolarHBondContact O-CB 3.24Å; L288-S292 PolarHBondContact O-N 2.85Å; S292-D294 VanDerWaalsContact C-N 3.33Å; S292-D294 PolarHBondContact OG-N 3Å
293	T	79.5	Confident	89.7	Confident	138 Å²	138	64.7 Å²	64.7	85%	0.847	36%	0.361	S	S	*	.			trans	-85.9	-8.2	167.4	51.9	0	0	0	0	112.7	E295	T293-E295 PolarHBondContact O-N 3.44Å
294	D	79.3	Confident	89.6	Confident	106 Å²	106	61.7 Å²	61.7	57%	0.567	35%	0.35	S	S	*	.			trans	-85.9	111.6	-174.6	-65.2	-22.1	0	0	0	111.2	S292 N296 L297	S292-D294 VanDerWaalsContact C-N 3.33Å; S292-D294 PolarHBondContact OG-N 3Å; D294-N296 PolarHBondContact O-N 2.85Å; D294-L297 HydrophobicContact CB-CD1 4.24Å; D294-L297 HydrophobicContact CB-CG 4.41Å; D294-L297 PolarHBondContact O-N 3.47Å
295	E	69.3	Low	89.6	Confident	180 Å²	180	62.3 Å²	62.3	84%	0.841	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.7	178.9	-63.6	-175.9	173.7	0	0	113.8	T293	T293-E295 PolarHBondContact O-N 3.44Å
296	N	78.4	Confident	89.7	Confident	158 Å²	158	60.6 Å²	60.6	85%	0.845	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.5	-177.3	-67	-23.2	0	0	0	113.6	D294 V298	D294-N296 PolarHBondContact O-N 2.85Å; N296-V298 VanDerWaalsContact C-N 3.28Å; N296-V298 PolarHBondContact O-N 2.88Å; N296-V298 VanDerWaalsContact O-N 3.08Å
297	L	81.3	Confident	89.8	Confident	63 Å²	63	59.1 Å²	59.1	33%	0.33	33%	0.329	S	S	.	.			trans	-87.5	60.8	-177.8	-67.6	173.2	0	0	0	111.8	D294	D294-L297 HydrophobicContact CB-CD1 4.24Å; D294-L297 HydrophobicContact CB-CG 4.41Å; D294-L297 PolarHBondContact O-N 3.47Å
298	V	91.4	Very high	89.9	Confident	71 Å²	71	58 Å²	58	43%	0.43	32%	0.323	S	S	.	.			trans	-100.9	129.9	176.3	179.7	0	0	0	0	110.4	N296 L303 N305	N296-V298 VanDerWaalsContact C-N 3.28Å; N296-V298 PolarHBondContact O-N 2.88Å; N296-V298 VanDerWaalsContact O-N 3.08Å; V298-L303 WeakPolarHBondContact O-CD1 3.32Å; V298-N305 PolarHBondContact O-ND2 2.84Å
299	V	93.9	Very high	90.1	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	32%	0.322	C	S	.	.			trans	-97.6	127.9	175.5	-66.4	0	0	0	0	111.1	I254 V281 V284 N285 L288 N305 V306	I254-V299 HydrophobicContact CD1-CB 3.7Å; I254-V299 HydrophobicContact CD1-CG1 3.8Å; I254-V299 HydrophobicContact CD1-CG2 3.54Å; I254-V299 HydrophobicContact CG1-CG1 4.23Å; V281-V299 WeakPolarHBondContact CG1-O 3.29Å; V284-V299 HydrophobicContact CB-CG2 4.37Å; V284-V299 HydrophobicContact CG1-CG2 4.06Å; N285-V299 VanDerWaalsContact CG-CG2 3.49Å; N285-V299 PolarHBondContact ND2-O 2.98Å; N285-V299 WeakPolarHBondContact OD1-CG2 3.41Å; N285-V299 PolarHBondContact OD1-N 3.3Å; N285-V299 PolarHBondContact OD1-O 2.75Å; L288-V299 HydrophobicContact CD1-CB 4.48Å; L288-V299 HydrophobicContact CD1-CG1 3.79Å; L288-V299 HydrophobicContact CD1-CG2 3.93Å; V299-N305 WeakPolarHBondContact CA-ND2 3.28Å; V299-V306 HydrophobicContact CB-CG2 4.17Å
300	S	96.2	Very high	90.4	Very high	24 Å²	24	53.6 Å²	53.6	17%	0.168	29%	0.292	C	S	.	.			trans	-159.1	135.7	177.8	-179.4	0	0	0	0	111.4	L302 L303 G304 N305	S300-L302 PolarHBondContact O-N 2.97Å; S300-L302 PolarHBondContact OG-N 2.83Å; S300-L303 WeakPolarHBondContact O-CB 3.43Å; S300-L303 PolarHBondContact O-N 2.96Å; S300-G304 PolarHBondContact O-N 2.87Å; S300-N305 PolarHBondContact N-OD1 3.24Å; S300-N305 PolarHBondContact O-OD1 2.93Å
301	P	96.3	Very high	90.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.013	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.8	174	-25.7	33.8	0	0	0	114.2	V281 L303 G304 V306 F308 L319 W343	V281-P301 HydrophobicContact CG2-CG 4.48Å; P301-L303 VanDerWaalsContact C-N 3.33Å; P301-G304 PolarHBondContact O-N 2.82Å; P301-V306 HydrophobicContact CB-CB 4.35Å; P301-V306 HydrophobicContact CG-CB 3.88Å; P301-V306 HydrophobicContact CG-CG1 4.04Å; P301-V306 HydrophobicContact CG-CG2 4.35Å; P301-F308 HydrophobicContact CB-CE2 4.02Å; P301-F308 HydrophobicContact CB-CZ 4.2Å; P301-F308 HydrophobicContact CG-CE2 4.05Å; P301-F308 HydrophobicContact CG-CZ 3.72Å; P301-L319 HydrophobicContact CB-CD1 3.92Å; P301-L319 HydrophobicContact CB-CG 4.07Å; P301-L319 VanDerWaalsContact O-CD1 3.29Å; P301-L319 WeakPolarHBondContact O-CD1 3.49Å; P301-W343 HydrophobicContact CB-CD2 4.05Å; P301-W343 HydrophobicContact CB-CE3 4.3Å; P301-W343 HydrophobicContact CB-CG 4.14Å; P301-W343 HydrophobicContact CG-CD2 3.8Å; P301-W343 HydrophobicContact CG-CE3 4.08Å; P301-W343 HydrophobicContact CG-CG 4.27Å; P301-W343 HydrophobicContact CG-CH2 4.29Å; P301-W343 HydrophobicContact CG-CZ2 4Å; P301-W343 HydrophobicContact CG-CZ3 4.32Å
302	L	95.1	Very high	90.8	Very high	67 Å²	67	48.1 Å²	48.1	35%	0.351	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-30.7	176.4	-69.5	173.6	0	0	0	113.5	S300 G304 L319 K340 W343	S300-L302 PolarHBondContact O-N 2.97Å; S300-L302 PolarHBondContact OG-N 2.83Å; L302-G304 VanDerWaalsContact C-N 3.29Å; L302-L319 HydrophobicContact CD2-CD1 3.97Å; L302-K340 WeakPolarHBondContact CD2-O 3.12Å; L302-W343 HydrophobicContact CD2-CB 3.68Å; L302-W343 HydrophobicContact CG-CB 3.85Å; L302-W343 HydrophobicContact CG-CG 4.23Å
303	L	94.6	Very high	91.1	Very high	94 Å²	94	48.1 Å²	48.1	49%	0.492	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.3	176.7	-60.7	175.5	0	0	0	111.2	V298 S300 P301 H436	V298-L303 WeakPolarHBondContact O-CD1 3.32Å; S300-L303 WeakPolarHBondContact O-CB 3.43Å; S300-L303 PolarHBondContact O-N 2.96Å; P301-L303 VanDerWaalsContact C-N 3.33Å; L303-H436 PolarHBondContact O-CE1 3.32Å; L303-H436 PolarHBondContact O-NE2 3.02Å
304	G	94.4	Very high	91.8	Very high	13 Å²	13	41.7 Å²	41.7	13%	0.134	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	6.4	-177.1	0	0	0	0	0	114.2	S300 P301 L302 V306 M432	S300-G304 PolarHBondContact O-N 2.87Å; P301-G304 PolarHBondContact O-N 2.82Å; L302-G304 VanDerWaalsContact C-N 3.29Å; G304-V306 VanDerWaalsContact C-N 3.34Å; G304-M432 WeakPolarHBondContact O-CB 3.29Å; G304-M432 VanDerWaalsContact O-CG 3.3Å; G304-M432 WeakPolarHBondContact O-CG 3.44Å
305	N	95.4	Very high	92.7	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	19%	0.194	C	C	.	.			trans	-89.7	4.7	176.3	60.3	0	0	0	0	114.1	T253 I254 V298 V299 S300 H436	T253-N305 WeakPolarHBondContact CA-O 2.98Å; T253-N305 HydrophobicContact CG2-CB 4.31Å; I254-N305 PolarHBondContact N-O 3.37Å; V298-N305 PolarHBondContact O-ND2 2.84Å; V299-N305 WeakPolarHBondContact CA-ND2 3.28Å; S300-N305 PolarHBondContact N-OD1 3.24Å; S300-N305 PolarHBondContact O-OD1 2.93Å; N305-H436 HydrophobicContact CB-CB 4.31Å; N305-H436 PolarHBondContact N-NE2 2.84Å
306	V	97.6	Very high	94	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	172.7	-176	0	0	0	0	109.2	I254 I256 V281 V299 P301 G304	I254-V306 HydrophobicContact CB-CG1 4.35Å; I254-V306 HydrophobicContact CB-CG2 4.26Å; I254-V306 HydrophobicContact CG2-CG1 4.47Å; I254-V306 CarbonylContact O-C 3.46Å; I254-V306 VanDerWaalsContact O-CA 3.29Å; I254-V306 WeakPolarHBondContact O-CA 3.49Å; I256-V306 HydrophobicContact CD1-CG1 4Å; I256-V306 HydrophobicContact CG1-CG1 4.25Å; V281-V306 HydrophobicContact CG2-CG1 4.3Å; V299-V306 HydrophobicContact CB-CG2 4.17Å; P301-V306 HydrophobicContact CB-CB 4.35Å; P301-V306 HydrophobicContact CG-CB 3.88Å; P301-V306 HydrophobicContact CG-CG1 4.04Å; P301-V306 HydrophobicContact CG-CG2 4.35Å; G304-V306 VanDerWaalsContact C-N 3.34Å
307	C	96.9	Very high	94.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	153.8	170.7	71.8	0	0	0	0	111.4	I254 C255 I256 T318 M432	I254-C307 PolarHBondContact O-N 3.01Å; C255-C307 VanDerWaalsContact CA-SG 3.52Å; C255-C307 WeakPolarHBondContact CB-SG 3.45Å; I256-C307 PolarHBondContact N-O 3.01Å; C307-T318 HydrophobicContact CB-CG2 3.72Å; C307-M432 HydrophobicContact CB-CE 4.49Å; C307-M432 HydrophobicContact CB-SD 3.84Å
308	F	98.1	Very high	95.6	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.7	176.3	-58.9	-80.2	0	0	0	108.5	I256 V259 L277 P301 C316 F317 W343 F368	I256-F308 HydrophobicContact CB-CD1 4.14Å; I256-F308 HydrophobicContact CD1-CD1 4.3Å; I256-F308 HydrophobicContact CD1-CE1 3.86Å; I256-F308 WeakPolarHBondContact O-CA 3.44Å; V259-F308 HydrophobicContact CG1-CB 4.28Å; V259-F308 HydrophobicContact CG1-CD1 4.5Å; L277-F308 HydrophobicContact CB-CE1 4.17Å; L277-F308 HydrophobicContact CD1-CD1 4.17Å; L277-F308 HydrophobicContact CD1-CE1 4Å; L277-F308 HydrophobicContact CD2-CD1 4.11Å; L277-F308 HydrophobicContact CD2-CE1 4.11Å; L277-F308 HydrophobicContact CG-CE1 4.32Å; P301-F308 HydrophobicContact CB-CE2 4.02Å; P301-F308 HydrophobicContact CB-CZ 4.2Å; P301-F308 HydrophobicContact CG-CE2 4.05Å; P301-F308 HydrophobicContact CG-CZ 3.72Å; F308-C316 WeakPolarHBondContact O-CA 3.48Å; F308-F317 HydrophobicContact CB-CD2 4.27Å; F308-F317 HydrophobicContact CB-CE1 4.06Å; F308-F317 HydrophobicContact CB-CE2 3.73Å; F308-F317 HydrophobicContact CB-CZ 3.61Å; F308-F317 HydrophobicContact CD2-CD2 4.24Å; F308-F317 AromaticContact CD2-CE2 3.7Å; F308-F317 HydrophobicContact CD2-CE2 3.7Å; F308-F317 HydrophobicContact CD2-CZ 4.36Å; F308-F317 HydrophobicContact CG-CE2 4.04Å; F308-F317 HydrophobicContact CG-CZ 4.23Å; F308-F317 PolarHBondContact N-O 2.93Å; F308-F317 PolarHBondContact O-N 3.19Å; F308-W343 HydrophobicContact CE1-CZ3 4.3Å; F308-W343 HydrophobicContact CE2-CZ3 4.38Å; F308-W343 HydrophobicContact CZ-CE3 4.17Å; F308-W343 HydrophobicContact CZ-CH2 4.03Å; F308-W343 AromaticContact CZ-CZ3 3.58Å; F308-W343 HydrophobicContact CZ-CZ3 3.58Å; F308-F368 HydrophobicContact CD2-CE2 4.41Å; F308-F368 HydrophobicContact CD2-CZ 4.15Å; F308-F368 HydrophobicContact CE1-CZ 4.4Å; F308-F368 AromaticContact CE2-CE2 3.89Å; F308-F368 HydrophobicContact CE2-CE2 3.89Å; F308-F368 AromaticContact CE2-CZ 3.78Å; F308-F368 HydrophobicContact CE2-CZ 3.78Å; F308-F368 HydrophobicContact CZ-CE2 4.32Å; F308-F368 AromaticContact CZ-CZ 3.92Å; F308-F368 HydrophobicContact CZ-CZ 3.92Å
309	A	97.6	Very high	95.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159	-175.4	0	0	0	0	0	113	F144 I256 N257 K258 V259 I315	F144-A309 HydrophobicContact CD2-CB 4.23Å; F144-A309 HydrophobicContact CE2-CB 3.92Å; I256-A309 PolarHBondContact O-N 3.34Å; N257-A309 CarbonylContact C-O 3.57Å; N257-A309 WeakPolarHBondContact CA-O 3.23Å; N257-A309 PolarHBondContact OD1-O 2.9Å; K258-A309 PolarHBondContact N-O 3.15Å; V259-A309 WeakPolarHBondContact CG2-O 3.48Å; V259-A309 PolarHBondContact N-O 2.91Å; V259-A309 VanDerWaalsContact N-O 3.1Å; A309-I315 CarbonylContact C-O 3.53Å; A309-I315 WeakPolarHBondContact CA-O 3.16Å; A309-I315 WeakPolarHBondContact CB-O 3.48Å
310	S	97.1	Very high	95.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	92.5	164.7	143.2	0	0	0	0	106.3	N257 D260 Q312 Y313 S314 I315	N257-S310 WeakPolarHBondContact OD1-CA 3.48Å; N257-S310 PolarHBondContact OD1-N 3.41Å; D260-S310 VanDerWaalsContact OD1-CB 3.25Å; D260-S310 WeakPolarHBondContact OD1-CB 3.44Å; D260-S310 PolarHBondContact OD1-OG 3.39Å; D260-S310 VanDerWaalsContact OD1-OG 3.14Å; S310-Q312 PolarHBondContact O-N 2.77Å; S310-Y313 CarbonylContact O-C 3.44Å; S310-Y313 PolarHBondContact O-N 3.3Å; S310-Y313 VanDerWaalsContact O-N 3.15Å; S310-Y313 WeakPolarHBondContact OG-CD2 3.2Å; S310-S314 PolarHBondContact O-N 3Å; S310-S314 VanDerWaalsContact O-N 3.08Å; S310-I315 PolarHBondContact N-O 3.44Å; S310-I315 PolarHBondContact O-N 2.83Å
311	S	94.5	Very high	95.9	Very high	5 Å²	5	14.7 Å²	14.7	4%	0.035	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.9	-177.1	52.1	0	0	0	0	113.5	G140 C147 N257 Y313 R416	G140-S311 PolarHBondContact O-OG 3.28Å; C147-S311 PolarHBondContact SG-O 3.33Å; N257-S311 PolarHBondContact ND2-OG 3.22Å; N257-S311 PolarHBondContact OD1-N 3.45Å; S311-Y313 VanDerWaalsContact C-N 3.32Å; S311-Y313 PolarHBondContact O-N 2.84Å; S311-R416 PolarHBondContact O-NH1 2.83Å
312	Q	92.5	Very high	95.8	Very high	57 Å²	57	14.7 Å²	14.7	27%	0.266	8%	0.083	S	C	.	.	G	3₁₀ helix	trans	-63.5	-38.7	174	-173.1	62.3	8.7	0	0	112.6	S310 R416	S310-Q312 PolarHBondContact O-N 2.77Å; Q312-R416 PolarHBondContact O-NH1 2.96Å
313	Y	93.6	Very high	95.8	Very high	17 Å²	17	11.5 Å²	11.5	7%	0.067	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-110	16	-177.2	-54.9	-58.3	0	0	0	113.4	D260 S310 S311 I315 L380 R412 L415 R416 C419	D260-Y313 HydrophobicContact CB-CD2 3.67Å; D260-Y313 HydrophobicContact CB-CE2 3.69Å; D260-Y313 VanDerWaalsContact OD2-CE2 3.29Å; D260-Y313 WeakPolarHBondContact OD2-CE2 3.42Å; S310-Y313 CarbonylContact O-C 3.44Å; S310-Y313 PolarHBondContact O-N 3.3Å; S310-Y313 VanDerWaalsContact O-N 3.15Å; S310-Y313 WeakPolarHBondContact OG-CD2 3.2Å; S311-Y313 VanDerWaalsContact C-N 3.32Å; S311-Y313 PolarHBondContact O-N 2.84Å; Y313-I315 VanDerWaalsContact C-N 3.29Å; Y313-I315 PolarHBondContact O-N 2.97Å; Y313-L380 HydrophobicContact CD2-CD2 4.49Å; Y313-R412 HydrophobicContact CE1-CB 4.36Å; Y313-R412 HydrophobicContact CE1-CG 4.35Å; Y313-L415 HydrophobicContact CD1-CB 3.57Å; Y313-L415 HydrophobicContact CD1-CD1 4.25Å; Y313-L415 HydrophobicContact CE1-CB 3.83Å; Y313-L415 HydrophobicContact CE1-CD1 3.84Å; Y313-L415 HydrophobicContact CE2-CD1 4.36Å; Y313-L415 HydrophobicContact CG-CB 4.22Å; Y313-R416 HydrophobicContact CD1-CB 4.44Å; Y313-C419 WeakPolarHBondContact O-CB 3.21Å
314	S	94.7	Very high	95.8	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.021	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	42.3	-179.2	-59.1	0	0	0	0	113.9	C147 S310 R416	C147-S314 PolarHBondContact SG-OG 3.32Å; C147-S314 VanDerWaalsContact SG-OG 3.38Å; S310-S314 PolarHBondContact O-N 3Å; S310-S314 VanDerWaalsContact O-N 3.08Å; S314-R416 PolarHBondContact OG-NE 3.47Å; S314-R416 PolarHBondContact OG-NH1 2.95Å; S314-R416 PolarHBondContact OG-NH2 3Å
315	I	96.8	Very high	95.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.3	173.7	-57.4	172.1	0	0	0	107.5	A309 S310 Y313 F317 L376 C419 F423	A309-I315 CarbonylContact C-O 3.53Å; A309-I315 WeakPolarHBondContact CA-O 3.16Å; A309-I315 WeakPolarHBondContact CB-O 3.48Å; S310-I315 PolarHBondContact N-O 3.44Å; S310-I315 PolarHBondContact O-N 2.83Å; Y313-I315 VanDerWaalsContact C-N 3.29Å; Y313-I315 PolarHBondContact O-N 2.97Å; I315-F317 HydrophobicContact CG2-CD1 3.77Å; I315-F317 HydrophobicContact CG2-CE1 3.81Å; I315-L376 HydrophobicContact CD1-CD1 3.98Å; I315-C419 HydrophobicContact CD1-CB 4.34Å; I315-C419 HydrophobicContact CG1-CB 3.72Å; I315-F423 HydrophobicContact CB-CD2 4.29Å; I315-F423 HydrophobicContact CB-CE2 4.18Å; I315-F423 HydrophobicContact CD1-CE2 4.29Å; I315-F423 HydrophobicContact CG1-CD2 4.02Å; I315-F423 HydrophobicContact CG1-CE2 3.79Å; I315-F423 HydrophobicContact CG2-CD2 4.04Å; I315-F423 HydrophobicContact CG2-CE1 4.22Å; I315-F423 HydrophobicContact CG2-CE2 3.65Å; I315-F423 HydrophobicContact CG2-CZ 3.76Å
316	C	97.3	Very high	95.6	Very high	4 Å²	4	12 Å²	12	3%	0.027	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	123.1	170	-177	0	0	0	0	109.4	F144 F308 F426	F144-C316 HydrophobicContact CE2-CB 4.32Å; F308-C316 WeakPolarHBondContact O-CA 3.48Å; C316-F426 HydrophobicContact CB-CB 4.3Å; C316-F426 HydrophobicContact CB-CD1 3.81Å; C316-F426 HydrophobicContact CB-CD2 3.56Å; C316-F426 HydrophobicContact CB-CE1 3.92Å; C316-F426 HydrophobicContact CB-CE2 3.68Å; C316-F426 HydrophobicContact CB-CG 3.62Å; C316-F426 HydrophobicContact CB-CZ 3.84Å
317	F	97.3	Very high	95.4	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.009	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	148.4	175.7	63.4	-90.5	0	0	0	113.1	F308 I315 S321 F322 V372 L376 F423	F308-F317 HydrophobicContact CB-CD2 4.27Å; F308-F317 HydrophobicContact CB-CE1 4.06Å; F308-F317 HydrophobicContact CB-CE2 3.73Å; F308-F317 HydrophobicContact CB-CZ 3.61Å; F308-F317 HydrophobicContact CD2-CD2 4.24Å; F308-F317 AromaticContact CD2-CE2 3.7Å; F308-F317 HydrophobicContact CD2-CE2 3.7Å; F308-F317 HydrophobicContact CD2-CZ 4.36Å; F308-F317 HydrophobicContact CG-CE2 4.04Å; F308-F317 HydrophobicContact CG-CZ 4.23Å; F308-F317 PolarHBondContact N-O 2.93Å; F308-F317 PolarHBondContact O-N 3.19Å; I315-F317 HydrophobicContact CG2-CD1 3.77Å; I315-F317 HydrophobicContact CG2-CE1 3.81Å; F317-S321 VanDerWaalsContact CA-OG 3.24Å; F317-S321 WeakPolarHBondContact CA-OG 3.46Å; F317-S321 WeakPolarHBondContact CB-OG 3.49Å; F317-F322 HydrophobicContact CB-CB 4.34Å; F317-F322 HydrophobicContact CB-CD2 4.16Å; F317-F322 HydrophobicContact CD1-CD2 4.15Å; F317-F322 HydrophobicContact CD2-CB 4.14Å; F317-F322 AromaticContact CD2-CD2 3.75Å; F317-F322 HydrophobicContact CD2-CD2 3.75Å; F317-F322 HydrophobicContact CD2-CG 4.35Å; F317-F322 HydrophobicContact CE2-CD2 4.17Å; F317-F322 HydrophobicContact CG-CB 4.48Å; F317-F322 AromaticContact CG-CD2 3.75Å; F317-F322 HydrophobicContact CG-CD2 3.75Å; F317-V372 HydrophobicContact CD2-CG1 4.32Å; F317-V372 HydrophobicContact CE2-CG1 3.44Å; F317-V372 VanDerWaalsContact CE2-CG1 3.44Å; F317-V372 HydrophobicContact CZ-CG1 3.7Å; F317-L376 HydrophobicContact CE1-CD2 4.3Å; F317-L376 HydrophobicContact CZ-CD2 4.44Å; F317-F423 HydrophobicContact CB-CD1 4.49Å; F317-F423 HydrophobicContact CB-CE1 4.46Å; F317-F423 HydrophobicContact CD1-CD1 4.34Å; F317-F423 AromaticContact CD1-CE1 3.71Å; F317-F423 HydrophobicContact CD1-CE1 3.71Å; F317-F423 HydrophobicContact CD1-CZ 4.25Å; F317-F423 HydrophobicContact CE1-CE1 4.35Å; F317-F423 HydrophobicContact CG-CE1 4.33Å
318	T	97.3	Very high	95.1	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.037	10%	0.096	C	C	.	.			trans	-101.2	174.9	158.5	59	0	0	0	0	108.6	C307 G320 S321 F322 G428 M432	C307-T318 HydrophobicContact CB-CG2 3.72Å; T318-G320 PolarHBondContact O-N 3.42Å; T318-G320 PolarHBondContact OG1-N 3.4Å; T318-S321 PolarHBondContact N-OG 3.23Å; T318-S321 PolarHBondContact O-N 3.07Å; T318-S321 PolarHBondContact O-OG 3.45Å; T318-S321 PolarHBondContact OG1-N 2.7Å; T318-F322 WeakPolarHBondContact O-CB 2.97Å; T318-F322 PolarHBondContact O-N 3.26Å; T318-G428 WeakPolarHBondContact CG2-O 3.24Å; T318-M432 HydrophobicContact CG2-CB 4.29Å
319	L	96.6	Very high	94.8	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-60.1	-33.4	171.7	-57.8	-176.2	0	0	0	111.7	P301 L302 A323 A339 L342 W343 F368	P301-L319 HydrophobicContact CB-CD1 3.92Å; P301-L319 HydrophobicContact CB-CG 4.07Å; P301-L319 VanDerWaalsContact O-CD1 3.29Å; P301-L319 WeakPolarHBondContact O-CD1 3.49Å; L302-L319 HydrophobicContact CD2-CD1 3.97Å; L319-A323 WeakPolarHBondContact O-CB 3.32Å; L319-A323 PolarHBondContact O-N 2.75Å; L319-A339 HydrophobicContact CB-CB 3.94Å; L319-A339 WeakPolarHBondContact CD1-O 3.27Å; L319-L342 HydrophobicContact CD1-CB 4.28Å; L319-L342 HydrophobicContact CD2-CB 3.99Å; L319-W343 HydrophobicContact CD1-CB 3.55Å; L319-F368 HydrophobicContact CD2-CD2 3.79Å; L319-F368 HydrophobicContact CD2-CE2 3.6Å
320	G	94.8	Very high	94.4	Very high	15 Å²	15	30.1 Å²	30.1	16%	0.155	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-50.9	177.6	0	0	0	0	0	112.5	T318 A323 K324	T318-G320 PolarHBondContact O-N 3.42Å; T318-G320 PolarHBondContact OG1-N 3.4Å; G320-A323 WeakPolarHBondContact O-CB 3.45Å; G320-A323 PolarHBondContact O-N 3.23Å; G320-K324 PolarHBondContact O-N 3.1Å
321	S	94.7	Very high	93.7	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-37.5	-179.1	70.8	0	0	0	0	112.1	F317 T318 A323 K324 I325	F317-S321 VanDerWaalsContact CA-OG 3.24Å; F317-S321 WeakPolarHBondContact CA-OG 3.46Å; F317-S321 WeakPolarHBondContact CB-OG 3.49Å; T318-S321 PolarHBondContact N-OG 3.23Å; T318-S321 PolarHBondContact O-N 3.07Å; T318-S321 PolarHBondContact O-OG 3.45Å; T318-S321 PolarHBondContact OG1-N 2.7Å; S321-A323 PolarHBondContact O-N 3.35Å; S321-K324 WeakPolarHBondContact O-CB 3.32Å; S321-K324 PolarHBondContact O-N 3.48Å; S321-I325 PolarHBondContact O-N 3.4Å
322	F	95.5	Very high	93.2	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-39.6	174	-153.8	-76.9	0	0	0	111.8	F317 T318 K324 I325 Y326 F371 V372 F423	F317-F322 HydrophobicContact CB-CB 4.34Å; F317-F322 HydrophobicContact CB-CD2 4.16Å; F317-F322 HydrophobicContact CD1-CD2 4.15Å; F317-F322 HydrophobicContact CD2-CB 4.14Å; F317-F322 AromaticContact CD2-CD2 3.75Å; F317-F322 HydrophobicContact CD2-CD2 3.75Å; F317-F322 HydrophobicContact CD2-CG 4.35Å; F317-F322 HydrophobicContact CE2-CD2 4.17Å; F317-F322 HydrophobicContact CG-CB 4.48Å; F317-F322 AromaticContact CG-CD2 3.75Å; F317-F322 HydrophobicContact CG-CD2 3.75Å; T318-F322 WeakPolarHBondContact O-CB 2.97Å; T318-F322 PolarHBondContact O-N 3.26Å; F322-K324 VanDerWaalsContact C-N 3.26Å; F322-K324 PolarHBondContact O-N 3.34Å; F322-I325 PolarHBondContact O-N 3.09Å; F322-Y326 AromaticContact CD1-CD2 3.92Å; F322-Y326 HydrophobicContact CD1-CD2 3.92Å; F322-Y326 AromaticContact CD1-CE2 3.65Å; F322-Y326 HydrophobicContact CD1-CE2 3.65Å; F322-Y326 HydrophobicContact CE1-CD2 4.12Å; F322-Y326 AromaticContact CE1-CE2 3.45Å; F322-Y326 HydrophobicContact CE1-CE2 3.45Å; F322-Y326 VanDerWaalsContact CE1-CE2 3.45Å; F322-Y326 PolarHBondContact O-N 3.07Å; F322-F371 WeakPolarHBondContact CE1-O 3.48Å; F322-V372 HydrophobicContact CD1-CG2 4.12Å; F322-V372 HydrophobicContact CD2-CG1 4.02Å; F322-V372 HydrophobicContact CE1-CG2 4.35Å; F322-V372 HydrophobicContact CE2-CG1 3.94Å; F322-V372 HydrophobicContact CG-CG1 4.34Å; F322-V372 HydrophobicContact CG-CG2 4.38Å; F322-V372 HydrophobicContact CZ-CG1 4.22Å; F322-F423 AromaticContact CD2-CE1 3.88Å; F322-F423 HydrophobicContact CD2-CE1 3.88Å; F322-F423 AromaticContact CE2-CE1 3.65Å; F322-F423 HydrophobicContact CE2-CE1 3.65Å; F322-F423 HydrophobicContact CE2-CZ 4.12Å
323	A	94.9	Very high	93.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-32.4	173.6	0	0	0	0	0	112.6	L319 G320 S321 Y326 S327 Y335 F338 A339 L342	L319-A323 WeakPolarHBondContact O-CB 3.32Å; L319-A323 PolarHBondContact O-N 2.75Å; G320-A323 WeakPolarHBondContact O-CB 3.45Å; G320-A323 PolarHBondContact O-N 3.23Å; S321-A323 PolarHBondContact O-N 3.35Å; A323-Y326 WeakPolarHBondContact O-CB 3.41Å; A323-Y326 PolarHBondContact O-N 3.22Å; A323-S327 PolarHBondContact O-N 3.41Å; A323-Y335 WeakPolarHBondContact CB-O 3.39Å; A323-F338 HydrophobicContact CB-CB 4.36Å; A323-F338 HydrophobicContact CB-CD1 3.64Å; A323-F338 HydrophobicContact CB-CG 4.48Å; A323-A339 HydrophobicContact CB-CB 4.22Å; A323-L342 HydrophobicContact CB-CD1 4.22Å
324	K	93.8	Very high	93	Very high	56 Å²	56	44.4 Å²	44.4	24%	0.243	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-41.2	175.3	-179.7	-179.2	157.2	82.9	0	111.5	S192 G320 S321 F322 Y326 S327 D328 Y335	S192-K324 WeakPolarHBondContact O-CD 3.35Å; S192-K324 WeakPolarHBondContact O-CE 3.42Å; S192-K324 PolarHBondContact O-NZ 2.99Å; G320-K324 PolarHBondContact O-N 3.1Å; S321-K324 WeakPolarHBondContact O-CB 3.32Å; S321-K324 PolarHBondContact O-N 3.48Å; F322-K324 VanDerWaalsContact C-N 3.26Å; F322-K324 PolarHBondContact O-N 3.34Å; K324-Y326 VanDerWaalsContact C-N 3.26Å; K324-Y326 PolarHBondContact O-N 2.78Å; K324-S327 WeakPolarHBondContact O-CA 3.49Å; K324-S327 WeakPolarHBondContact O-CB 3.43Å; K324-S327 PolarHBondContact O-N 3.08Å; K324-D328 IonicContact NZ-OD2 3.85Å; K324-D328 VanDerWaalsContact O-CG 3.29Å; K324-D328 PolarHBondContact O-N 2.89Å; K324-Y335 HydrophobicContact CB-CD2 4.49Å; K324-Y335 HydrophobicContact CB-CG 4.41Å
325	I	93.5	Very high	92.8	Very high	32 Å²	32	47 Å²	47	16%	0.164	25%	0.248	C	C	.	.	H	α-helix	trans	-55.1	-43.9	172.7	-59.6	169.9	0	0	0	110.8	S321 F322 D328 T329 F422 F423	S321-I325 PolarHBondContact O-N 3.4Å; F322-I325 PolarHBondContact O-N 3.09Å; I325-D328 PolarHBondContact O-N 3Å; I325-T329 WeakPolarHBondContact O-CB 3.42Å; I325-T329 PolarHBondContact O-N 2.99Å; I325-T329 PolarHBondContact O-OG1 2.88Å; I325-F422 HydrophobicContact CD1-CE1 4.44Å; I325-F422 HydrophobicContact CG2-CE2 4.25Å; I325-F422 HydrophobicContact CG2-CZ 4.11Å; I325-F423 HydrophobicContact CD1-CD1 3.9Å; I325-F423 HydrophobicContact CD1-CE1 4.4Å
326	Y	93.4	Very high	92.5	Very high	40 Å²	40	50.8 Å²	50.8	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-42.9	174.2	-84.4	-74.6	0	0	0	113.2	F322 A323 K324 T329 Y330 F338 F371	F322-Y326 AromaticContact CD1-CD2 3.92Å; F322-Y326 HydrophobicContact CD1-CD2 3.92Å; F322-Y326 AromaticContact CD1-CE2 3.65Å; F322-Y326 HydrophobicContact CD1-CE2 3.65Å; F322-Y326 HydrophobicContact CE1-CD2 4.12Å; F322-Y326 AromaticContact CE1-CE2 3.45Å; F322-Y326 HydrophobicContact CE1-CE2 3.45Å; F322-Y326 VanDerWaalsContact CE1-CE2 3.45Å; F322-Y326 PolarHBondContact O-N 3.07Å; A323-Y326 WeakPolarHBondContact O-CB 3.41Å; A323-Y326 PolarHBondContact O-N 3.22Å; K324-Y326 VanDerWaalsContact C-N 3.26Å; K324-Y326 PolarHBondContact O-N 2.78Å; Y326-T329 PolarHBondContact O-N 2.85Å; Y326-Y330 AromaticContact CD1-CD2 3.77Å; Y326-Y330 HydrophobicContact CD1-CD2 3.77Å; Y326-Y330 AromaticContact CD1-CE2 3.6Å; Y326-Y330 HydrophobicContact CD1-CE2 3.6Å; Y326-Y330 AromaticContact CE1-CE2 3.96Å; Y326-Y330 HydrophobicContact CE1-CE2 3.96Å; Y326-Y330 WeakPolarHBondContact O-CD2 3.49Å; Y326-Y330 PolarHBondContact O-N 2.95Å; Y326-F338 AromaticContact CD2-CE1 3.87Å; Y326-F338 HydrophobicContact CD2-CE1 3.87Å; Y326-F338 HydrophobicContact CE2-CE1 4.37Å; Y326-F338 HydrophobicContact CG-CE1 4.2Å; Y326-F371 HydrophobicContact CE1-CD1 4.48Å; Y326-F371 HydrophobicContact CE2-CB 4.36Å; Y326-F371 WeakPolarHBondContact CE2-O 3.21Å; Y326-F371 PolarHBondContact OH-O 3.26Å
327	S	92.8	Very high	92.3	Very high	25 Å²	25	54.3 Å²	54.3	18%	0.175	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-44.8	177.3	176	0	0	0	0	111.6	A323 K324 T329 G331 I333	A323-S327 PolarHBondContact O-N 3.41Å; K324-S327 WeakPolarHBondContact O-CA 3.49Å; K324-S327 WeakPolarHBondContact O-CB 3.43Å; K324-S327 PolarHBondContact O-N 3.08Å; S327-T329 VanDerWaalsContact C-N 3.33Å; S327-G331 VanDerWaalsContact O-CA 3.29Å; S327-G331 WeakPolarHBondContact O-CA 3.45Å; S327-G331 PolarHBondContact O-N 2.85Å; S327-I333 PolarHBondContact OG-O 3.21Å
328	D	91.5	Very high	92.1	Very high	109 Å²	109	55.4 Å²	55.4	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-70.3	-32.1	-178	-64.8	-16.3	0	0	0	111.4	K324 I325	K324-D328 IonicContact NZ-OD2 3.85Å; K324-D328 VanDerWaalsContact O-CG 3.29Å; K324-D328 PolarHBondContact O-N 2.89Å; I325-D328 PolarHBondContact O-N 3Å
329	T	91.3	Very high	92	Very high	84 Å²	84	55.6 Å²	55.6	52%	0.515	29%	0.292	S	S	.	.	H	α-helix	trans	-78.8	-46.2	179	-53.6	0	0	0	0	113.2	I325 Y326 S327	I325-T329 WeakPolarHBondContact O-CB 3.42Å; I325-T329 PolarHBondContact O-N 2.99Å; I325-T329 PolarHBondContact O-OG1 2.88Å; Y326-T329 PolarHBondContact O-N 2.85Å; S327-T329 VanDerWaalsContact C-N 3.33Å
330	Y	88.6	Confident	91.8	Very high	164 Å²	164	61.1 Å²	61.1	64%	0.643	32%	0.316	S	S	*	.	H	α-helix	trans	-105.1	-14.6	-169.5	-63.2	-77.4	0	0	0	114.4	Y326	Y326-Y330 AromaticContact CD1-CD2 3.77Å; Y326-Y330 HydrophobicContact CD1-CD2 3.77Å; Y326-Y330 AromaticContact CD1-CE2 3.6Å; Y326-Y330 HydrophobicContact CD1-CE2 3.6Å; Y326-Y330 AromaticContact CE1-CE2 3.96Å; Y326-Y330 HydrophobicContact CE1-CE2 3.96Å; Y326-Y330 WeakPolarHBondContact O-CD2 3.49Å; Y326-Y330 PolarHBondContact O-N 2.95Å
331	G	82.6	Confident	91.8	Very high	38 Å²	38	65.6 Å²	65.6	39%	0.392	33%	0.328	S	S	.	.	S	Bend	trans	68	157.5	-176.9	0	0	0	0	0	114.4	S327 I333	S327-G331 VanDerWaalsContact O-CA 3.29Å; S327-G331 WeakPolarHBondContact O-CA 3.45Å; S327-G331 PolarHBondContact O-N 2.85Å; G331-I333 VanDerWaalsContact C-N 3.31Å; G331-I333 PolarHBondContact O-N 2.86Å
332	D	84.5	Confident	91.8	Very high	181 Å²	181	65.3 Å²	65.3	97%	0.968	33%	0.325	S	S	*	.	S	Bend	trans	67.1	16.2	168.5	-134.7	18	0	0	0	116.7
333	I	89.1	Confident	91.8	Very high	63 Å²	63	65.9 Å²	65.9	32%	0.323	33%	0.328	S	S	.	.			trans	-107.7	125.1	176	-58.6	173.6	0	0	0	110	S327 G331 Y335 F338	S327-I333 PolarHBondContact OG-O 3.21Å; G331-I333 VanDerWaalsContact C-N 3.31Å; G331-I333 PolarHBondContact O-N 2.86Å; I333-Y335 PolarHBondContact O-N 3.45Å; I333-Y335 VanDerWaalsContact O-N 3.11Å; I333-F338 HydrophobicContact CG2-CB 4.15Å; I333-F338 HydrophobicContact CG2-CG 4.29Å
334	N	91.2	Very high	91.7	Very high	97 Å²	97	66.7 Å²	66.7	52%	0.519	34%	0.336	S	S	.	.			trans	-74.3	103.3	169.1	-174.2	-30.3	0	0	0	110	N336 E337 F338	N334-N336 VanDerWaalsContact C-N 3.28Å; N334-N336 PolarHBondContact O-N 3.38Å; N334-N336 WeakPolarHBondContact OD1-CB 3.35Å; N334-N336 PolarHBondContact OD1-N 3.04Å; N334-N336 VanDerWaalsContact OD1-N 3.11Å; N334-E337 HydrophobicContact CB-CB 4.44Å; N334-E337 PolarHBondContact O-N 3.43Å; N334-E337 PolarHBondContact OD1-N 3.3Å; N334-F338 WeakPolarHBondContact O-CB 3.35Å; N334-F338 PolarHBondContact O-N 2.93Å
335	Y	91.6	Very high	91.6	Very high	58 Å²	58	67.7 Å²	67.7	23%	0.227	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-33.1	-175.9	70.1	-90.1	0	0	0	113.3	A323 K324 I333 F338 A339	A323-Y335 WeakPolarHBondContact CB-O 3.39Å; K324-Y335 HydrophobicContact CB-CD2 4.49Å; K324-Y335 HydrophobicContact CB-CG 4.41Å; I333-Y335 PolarHBondContact O-N 3.45Å; I333-Y335 VanDerWaalsContact O-N 3.11Å; Y335-F338 PolarHBondContact O-N 3.29Å; Y335-A339 VanDerWaalsContact O-CB 3.3Å; Y335-A339 WeakPolarHBondContact O-CB 3.44Å; Y335-A339 PolarHBondContact O-N 3.49Å
336	N	90.8	Very high	91.6	Very high	79 Å²	79	67.6 Å²	67.6	42%	0.422	34%	0.344	S	S	.	.	H	α-helix	trans	-67.3	-44.4	179.2	-71.4	-45.1	0	0	0	112.3	N334 F338 K340	N334-N336 VanDerWaalsContact C-N 3.28Å; N334-N336 PolarHBondContact O-N 3.38Å; N334-N336 WeakPolarHBondContact OD1-CB 3.35Å; N334-N336 PolarHBondContact OD1-N 3.04Å; N334-N336 VanDerWaalsContact OD1-N 3.11Å; N336-F338 VanDerWaalsContact C-N 3.31Å; N336-K340 WeakPolarHBondContact O-CG 3.09Å; N336-K340 PolarHBondContact O-N 2.94Å
337	E	92.1	Very high	91.6	Very high	78 Å²	78	67 Å²	67	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-72.1	-28.8	176.9	-78	-62.2	126.4	0	0	112.4	N334 K340 R341	N334-E337 HydrophobicContact CB-CB 4.44Å; N334-E337 PolarHBondContact O-N 3.43Å; N334-E337 PolarHBondContact OD1-N 3.3Å; E337-K340 IonicContact OE1-NZ 3.77Å; E337-K340 PolarHBondContact OE1-NZ 3.11Å; E337-R341 IonicContact OE2-NH2 3.06Å
338	F	93.7	Very high	91.7	Very high	26 Å²	26	67.6 Å²	67.6	11%	0.114	34%	0.341	C	S	.	.	H	α-helix	trans	-68.2	-49.2	172.9	-170.1	-125	0	0	0	111	A323 Y326 I333 N334 Y335 N336 K340 R341 L342 F355 F371	A323-F338 HydrophobicContact CB-CB 4.36Å; A323-F338 HydrophobicContact CB-CD1 3.64Å; A323-F338 HydrophobicContact CB-CG 4.48Å; Y326-F338 AromaticContact CD2-CE1 3.87Å; Y326-F338 HydrophobicContact CD2-CE1 3.87Å; Y326-F338 HydrophobicContact CE2-CE1 4.37Å; Y326-F338 HydrophobicContact CG-CE1 4.2Å; I333-F338 HydrophobicContact CG2-CB 4.15Å; I333-F338 HydrophobicContact CG2-CG 4.29Å; N334-F338 WeakPolarHBondContact O-CB 3.35Å; N334-F338 PolarHBondContact O-N 2.93Å; Y335-F338 PolarHBondContact O-N 3.29Å; N336-F338 VanDerWaalsContact C-N 3.31Å; F338-K340 VanDerWaalsContact C-N 3.31Å; F338-K340 PolarHBondContact O-N 3.04Å; F338-R341 PolarHBondContact O-N 3.18Å; F338-L342 HydrophobicContact CD1-CD1 3.98Å; F338-L342 HydrophobicContact CD1-CD2 4.36Å; F338-L342 HydrophobicContact CD1-CG 4.3Å; F338-L342 HydrophobicContact CE1-CD1 4Å; F338-L342 HydrophobicContact CE1-CD2 3.86Å; F338-L342 HydrophobicContact CE1-CG 4.27Å; F338-L342 HydrophobicContact CE2-CD2 4.28Å; F338-L342 HydrophobicContact CZ-CD2 3.8Å; F338-L342 PolarHBondContact O-N 3.22Å; F338-F355 AromaticContact CD2-CE2 3.87Å; F338-F355 HydrophobicContact CD2-CE2 3.87Å; F338-F355 AromaticContact CD2-CZ 3.88Å; F338-F355 HydrophobicContact CD2-CZ 3.88Å; F338-F355 AromaticContact CE2-CE2 3.88Å; F338-F355 HydrophobicContact CE2-CE2 3.88Å; F338-F355 AromaticContact CE2-CZ 3.49Å; F338-F355 HydrophobicContact CE2-CZ 3.49Å; F338-F355 VanDerWaalsContact CE2-CZ 3.49Å; F338-F355 HydrophobicContact CZ-CZ 4.5Å; F338-F371 AromaticContact CZ-CD1 3.88Å; F338-F371 HydrophobicContact CZ-CD1 3.88Å; F338-F371 HydrophobicContact CZ-CE1 4.26Å; F338-F371 HydrophobicContact CZ-CG 4.23Å
339	A	94.2	Very high	91.7	Very high	10 Å²	10	63.8 Å²	63.8	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-54	-42.4	179.4	0	0	0	0	0	113.2	L319 A323 Y335 R341 L342	L319-A339 HydrophobicContact CB-CB 3.94Å; L319-A339 WeakPolarHBondContact CD1-O 3.27Å; A323-A339 HydrophobicContact CB-CB 4.22Å; Y335-A339 VanDerWaalsContact O-CB 3.3Å; Y335-A339 WeakPolarHBondContact O-CB 3.44Å; Y335-A339 PolarHBondContact O-N 3.49Å; A339-R341 PolarHBondContact O-N 3.23Å; A339-L342 PolarHBondContact O-N 2.89Å; A339-L342 VanDerWaalsContact O-N 3.1Å
340	K	94.2	Very high	91.6	Very high	119 Å²	119	64 Å²	64	52%	0.517	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.5	176.1	-69.9	175.8	-170.7	170	0	114.8	L302 N336 E337 F338	L302-K340 WeakPolarHBondContact CD2-O 3.12Å; N336-K340 WeakPolarHBondContact O-CG 3.09Å; N336-K340 PolarHBondContact O-N 2.94Å; E337-K340 IonicContact OE1-NZ 3.77Å; E337-K340 PolarHBondContact OE1-NZ 3.11Å; F338-K340 VanDerWaalsContact C-N 3.31Å; F338-K340 PolarHBondContact O-N 3.04Å
341	R	94.6	Very high	91.7	Very high	109 Å²	109	65.5 Å²	65.5	41%	0.411	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-1	-177.9	-58.7	177	-172.1	167.8	6.3	112.9	E337 F338 A339 F355 S367	E337-R341 IonicContact OE2-NH2 3.06Å; F338-R341 PolarHBondContact O-N 3.18Å; A339-R341 PolarHBondContact O-N 3.23Å; R341-F355 HydrophobicContact CB-CB 4.49Å; R341-F355 HydrophobicContact CB-CD1 4.27Å; R341-F355 HydrophobicContact CB-CD2 3.94Å; R341-F355 HydrophobicContact CB-CE1 4.49Å; R341-F355 HydrophobicContact CB-CE2 4.17Å; R341-F355 HydrophobicContact CB-CG 3.96Å; R341-F355 HydrophobicContact CB-CZ 4.42Å; R341-F355 VanDerWaalsContact CD-CD2 3.44Å; R341-F355 HydrophobicContact CG-CD2 4.32Å; R341-S367 WeakPolarHBondContact O-CB 3.24Å; R341-S367 PolarHBondContact O-OG 2.92Å
342	L	94.4	Very high	92.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-82.7	-10	-176.7	-74.4	179.4	0	0	0	113.8	L319 A323 F338 A339 S367 F368 F371	L319-L342 HydrophobicContact CD1-CB 4.28Å; L319-L342 HydrophobicContact CD2-CB 3.99Å; A323-L342 HydrophobicContact CB-CD1 4.22Å; F338-L342 HydrophobicContact CD1-CD1 3.98Å; F338-L342 HydrophobicContact CD1-CD2 4.36Å; F338-L342 HydrophobicContact CD1-CG 4.3Å; F338-L342 HydrophobicContact CE1-CD1 4Å; F338-L342 HydrophobicContact CE1-CD2 3.86Å; F338-L342 HydrophobicContact CE1-CG 4.27Å; F338-L342 HydrophobicContact CE2-CD2 4.28Å; F338-L342 HydrophobicContact CZ-CD2 3.8Å; F338-L342 PolarHBondContact O-N 3.22Å; A339-L342 PolarHBondContact O-N 2.89Å; A339-L342 VanDerWaalsContact O-N 3.1Å; L342-S367 PolarHBondContact O-OG 3.03Å; L342-F368 WeakPolarHBondContact O-CA 3.11Å; L342-F368 WeakPolarHBondContact O-CB 3.37Å; L342-F368 WeakPolarHBondContact O-CD2 2.88Å; L342-F368 PolarHBondContact O-N 2.76Å; L342-F371 HydrophobicContact CD2-CB 3.89Å; L342-F371 HydrophobicContact CD2-CG 4.38Å
343	W	95.7	Very high	92.3	Very high	16 Å²	16	68.8 Å²	68.8	6%	0.061	33%	0.329	C	S	.	.	S	Bend	trans	-128.6	152.9	-177.9	179.6	-91.8	0	0	0	113.3	Y274 L277 R278 P301 L302 F308 L319 F368	Y274-W343 HydrophobicContact CD2-CE3 4.29Å; Y274-W343 HydrophobicContact CD2-CH2 4.07Å; Y274-W343 AromaticContact CD2-CZ3 3.77Å; Y274-W343 HydrophobicContact CD2-CZ3 3.77Å; Y274-W343 HydrophobicContact CE2-CD2 4.06Å; Y274-W343 AromaticContact CE2-CE3 3.7Å; Y274-W343 HydrophobicContact CE2-CE3 3.7Å; Y274-W343 AromaticContact CE2-CH2 3.71Å; Y274-W343 HydrophobicContact CE2-CH2 3.71Å; Y274-W343 HydrophobicContact CE2-CZ2 4.08Å; Y274-W343 AromaticContact CE2-CZ3 3.52Å; Y274-W343 HydrophobicContact CE2-CZ3 3.52Å; L277-W343 HydrophobicContact CB-CH2 4.19Å; R278-W343 HydrophobicContact CB-CH2 4.17Å; R278-W343 HydrophobicContact CB-CZ2 3.91Å; R278-W343 HydrophobicContact CG-CZ2 4.08Å; P301-W343 HydrophobicContact CB-CD2 4.05Å; P301-W343 HydrophobicContact CB-CE3 4.3Å; P301-W343 HydrophobicContact CB-CG 4.14Å; P301-W343 HydrophobicContact CG-CD2 3.8Å; P301-W343 HydrophobicContact CG-CE3 4.08Å; P301-W343 HydrophobicContact CG-CG 4.27Å; P301-W343 HydrophobicContact CG-CH2 4.29Å; P301-W343 HydrophobicContact CG-CZ2 4Å; P301-W343 HydrophobicContact CG-CZ3 4.32Å; L302-W343 HydrophobicContact CD2-CB 3.68Å; L302-W343 HydrophobicContact CG-CB 3.85Å; L302-W343 HydrophobicContact CG-CG 4.23Å; F308-W343 HydrophobicContact CE1-CZ3 4.3Å; F308-W343 HydrophobicContact CE2-CZ3 4.38Å; F308-W343 HydrophobicContact CZ-CE3 4.17Å; F308-W343 HydrophobicContact CZ-CH2 4.03Å; F308-W343 AromaticContact CZ-CZ3 3.58Å; F308-W343 HydrophobicContact CZ-CZ3 3.58Å; L319-W343 HydrophobicContact CD1-CB 3.55Å; W343-F368 HydrophobicContact CE3-CB 4.37Å; W343-F368 HydrophobicContact CE3-CD1 4.12Å; W343-F368 AromaticContact CE3-CD2 3.6Å; W343-F368 HydrophobicContact CE3-CD2 3.6Å; W343-F368 HydrophobicContact CE3-CE1 4.27Å; W343-F368 AromaticContact CE3-CE2 3.79Å; W343-F368 HydrophobicContact CE3-CE2 3.79Å; W343-F368 AromaticContact CE3-CG 3.75Å; W343-F368 HydrophobicContact CE3-CG 3.75Å; W343-F368 HydrophobicContact CE3-CZ 4.12Å; W343-F368 AromaticContact CZ3-CD1 3.92Å; W343-F368 HydrophobicContact CZ3-CD1 3.92Å; W343-F368 HydrophobicContact CZ3-CD2 4.12Å; W343-F368 AromaticContact CZ3-CE1 3.79Å; W343-F368 HydrophobicContact CZ3-CE1 3.79Å; W343-F368 HydrophobicContact CZ3-CE2 4.02Å; W343-F368 HydrophobicContact CZ3-CG 4.05Å; W343-F368 AromaticContact CZ3-CZ 3.84Å; W343-F368 HydrophobicContact CZ3-CZ 3.84Å
344	G	91.9	Very high	92.3	Very high	17 Å²	17	72.8 Å²	72.8	18%	0.175	34%	0.344	C	S	.	.	S	Bend	trans	91.6	-168.2	-178.7	0	0	0	0	0	113.3	Y274 I346	Y274-G344 VanDerWaalsContact OH-CA 3.27Å; Y274-G344 WeakPolarHBondContact OH-CA 3.47Å; Y274-G344 PolarHBondContact OH-N 3.16Å; G344-I346 PolarHBondContact O-N 3.32Å
345	D	91.4	Very high	92.5	Very high	77 Å²	77	70.3 Å²	70.3	41%	0.412	33%	0.328	S	S	.	.	S	Bend	trans	-77.1	57.7	176.8	-71.5	-52	0	0	0	111.8	R278 Y347 R366	R278-D345 IonicContact NH1-OD2 3.44Å; D345-Y347 HydrophobicContact CB-CE2 4.42Å; D345-R366 IonicContact OD1-NE 2.99Å; D345-R366 IonicContact OD1-NH2 3.95Å
346	I	94.3	Very high	92.5	Very high	30 Å²	30	69.7 Å²	69.7	15%	0.154	33%	0.331	C	S	.	.			trans	-112.3	137.2	173.7	-59.9	177.8	0	0	0	107.7	G344 F355 R366 S367	G344-I346 PolarHBondContact O-N 3.32Å; I346-F355 HydrophobicContact CG2-CB 3.81Å; I346-F355 HydrophobicContact CG2-CD1 3.78Å; I346-F355 HydrophobicContact CG2-CG 4.16Å; I346-R366 CarbonylContact O-C 3.56Å; I346-R366 VanDerWaalsContact O-CA 3.3Å; I346-R366 WeakPolarHBondContact O-CA 3.49Å; I346-S367 PolarHBondContact O-N 3.01Å; I346-S367 PolarHBondContact O-OG 3.08Å
347	Y	94.3	Very high	92.5	Very high	26 Å²	26	74.4 Å²	74.4	10%	0.102	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.9	-177.2	-58.2	-98.5	0	0	0	109.3	D345 F355 T356 A359 S364 Q365 R366	D345-Y347 HydrophobicContact CB-CE2 4.42Å; Y347-F355 CarbonylContact O-C 3.57Å; Y347-F355 VanDerWaalsContact O-CA 3.32Å; Y347-F355 WeakPolarHBondContact O-CA 3.07Å; Y347-T356 PolarHBondContact N-O 3.48Å; Y347-T356 PolarHBondContact O-N 2.92Å; Y347-A359 HydrophobicContact CD1-CB 4.04Å; Y347-A359 HydrophobicContact CD2-CB 4.47Å; Y347-A359 HydrophobicContact CE1-CB 3.98Å; Y347-A359 HydrophobicContact CE2-CB 4.42Å; Y347-A359 HydrophobicContact CG-CB 4.31Å; Y347-S364 WeakPolarHBondContact CE1-O 3.37Å; Y347-Q365 WeakPolarHBondContact CD1-O 3.23Å; Y347-R366 HydrophobicContact CE1-CG 4.08Å; Y347-R366 PolarHBondContact OH-NE 2.67Å
348	F	93.4	Very high	92.3	Very high	38 Å²	38	79.4 Å²	79.4	17%	0.167	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.3	172.4	-179.9	-110	0	0	0	110.5	P350 F355 F371	F348-P350 HydrophobicContact CE1-CB 4.11Å; F348-P350 WeakPolarHBondContact O-CD 3.45Å; F348-F355 HydrophobicContact CB-CD1 4.25Å; F348-F355 HydrophobicContact CB-CE1 4.06Å; F348-F355 HydrophobicContact CD2-CD1 4.3Å; F348-F355 HydrophobicContact CD2-CE1 4.04Å; F348-F355 HydrophobicContact CD2-CZ 4.19Å; F348-F355 HydrophobicContact CG-CE1 4.49Å; F348-F371 HydrophobicContact CB-CE2 3.59Å; F348-F371 HydrophobicContact CB-CZ 4.2Å; F348-F371 AromaticContact CD1-CE2 3.93Å; F348-F371 HydrophobicContact CD1-CE2 3.93Å; F348-F371 AromaticContact CD1-CZ 3.71Å; F348-F371 HydrophobicContact CD1-CZ 3.71Å; F348-F371 HydrophobicContact CD2-CE2 4.27Å; F348-F371 HydrophobicContact CD2-CZ 4.12Å; F348-F371 HydrophobicContact CE1-CZ 4.04Å; F348-F371 HydrophobicContact CE2-CZ 4.43Å; F348-F371 AromaticContact CG-CE2 3.69Å; F348-F371 HydrophobicContact CG-CE2 3.69Å; F348-F371 AromaticContact CG-CZ 3.75Å; F348-F371 HydrophobicContact CG-CZ 3.75Å; F348-F371 HydrophobicContact CZ-CZ 4.39Å
349	N	91.8	Very high	92	Very high	30 Å²	30	80.6 Å²	80.6	16%	0.16	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108	172.9	-175.5	-20.9	0	0	0	109.4	K351 T352 R353 K354 P360	N349-K351 PolarHBondContact O-N 2.53Å; N349-K351 WeakPolarHBondContact OD1-CB 3.38Å; N349-K351 PolarHBondContact OD1-N 3.26Å; N349-T352 WeakPolarHBondContact CB-OG1 3.49Å; N349-T352 PolarHBondContact O-N 3.18Å; N349-R353 WeakPolarHBondContact O-CA 3.48Å; N349-R353 PolarHBondContact O-N 2.84Å; N349-K354 PolarHBondContact N-O 3.45Å; N349-P360 HydrophobicContact CB-CB 4.06Å; N349-P360 HydrophobicContact CB-CG 4.08Å
350	P	89.6	Confident	91.5	Very high	87 Å²	87	82.2 Å²	82.2	57%	0.565	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.7	-175.6	25.9	-34.4	0	0	0	112.9	F348	F348-P350 HydrophobicContact CE1-CB 4.11Å; F348-P350 WeakPolarHBondContact O-CD 3.45Å
351	K	90.4	Very high	91	Very high	197 Å²	197	80.6 Å²	80.6	86%	0.857	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-41.1	179.1	-63.1	-176.6	-179.9	178.1	0	112.3	N349	N349-K351 PolarHBondContact O-N 2.53Å; N349-K351 WeakPolarHBondContact OD1-CB 3.38Å; N349-K351 PolarHBondContact OD1-N 3.26Å
352	T	90.4	Very high	90.2	Very high	77 Å²	77	81.1 Å²	81.1	47%	0.472	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-10.5	-179.1	61	0	0	0	0	112.7	N349 K354	N349-T352 WeakPolarHBondContact CB-OG1 3.49Å; N349-T352 PolarHBondContact O-N 3.18Å; T352-K354 PolarHBondContact O-N 2.94Å
353	R	88.8	Confident	89.7	Confident	211 Å²	211	87.9 Å²	87.9	80%	0.796	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	35.9	-173	-57.9	-174.8	68.5	174	1.2	112.5	N349	N349-R353 WeakPolarHBondContact O-CA 3.48Å; N349-R353 PolarHBondContact O-N 2.84Å
354	K	90.8	Very high	89.2	Confident	147 Å²	147	88.5 Å²	88.5	64%	0.639	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.1	-178.9	-71.2	-178.2	-176.5	-174.5	0	110.9	N349 T352	N349-K354 PolarHBondContact N-O 3.45Å; T352-K354 PolarHBondContact O-N 2.94Å
355	F	93.5	Very high	89.2	Confident	44 Å²	44	90.2 Å²	90.2	19%	0.193	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	135.3	171.8	-69.2	-77.2	0	0	0	111.1	F338 R341 I346 Y347 F348 F371	F338-F355 AromaticContact CD2-CE2 3.87Å; F338-F355 HydrophobicContact CD2-CE2 3.87Å; F338-F355 AromaticContact CD2-CZ 3.88Å; F338-F355 HydrophobicContact CD2-CZ 3.88Å; F338-F355 AromaticContact CE2-CE2 3.88Å; F338-F355 HydrophobicContact CE2-CE2 3.88Å; F338-F355 AromaticContact CE2-CZ 3.49Å; F338-F355 HydrophobicContact CE2-CZ 3.49Å; F338-F355 VanDerWaalsContact CE2-CZ 3.49Å; F338-F355 HydrophobicContact CZ-CZ 4.5Å; R341-F355 HydrophobicContact CB-CB 4.49Å; R341-F355 HydrophobicContact CB-CD1 4.27Å; R341-F355 HydrophobicContact CB-CD2 3.94Å; R341-F355 HydrophobicContact CB-CE1 4.49Å; R341-F355 HydrophobicContact CB-CE2 4.17Å; R341-F355 HydrophobicContact CB-CG 3.96Å; R341-F355 HydrophobicContact CB-CZ 4.42Å; R341-F355 VanDerWaalsContact CD-CD2 3.44Å; R341-F355 HydrophobicContact CG-CD2 4.32Å; I346-F355 HydrophobicContact CG2-CB 3.81Å; I346-F355 HydrophobicContact CG2-CD1 3.78Å; I346-F355 HydrophobicContact CG2-CG 4.16Å; Y347-F355 CarbonylContact O-C 3.57Å; Y347-F355 VanDerWaalsContact O-CA 3.32Å; Y347-F355 WeakPolarHBondContact O-CA 3.07Å; F348-F355 HydrophobicContact CB-CD1 4.25Å; F348-F355 HydrophobicContact CB-CE1 4.06Å; F348-F355 HydrophobicContact CD2-CD1 4.3Å; F348-F355 HydrophobicContact CD2-CE1 4.04Å; F348-F355 HydrophobicContact CD2-CZ 4.19Å; F348-F355 HydrophobicContact CG-CE1 4.49Å; F355-F371 HydrophobicContact CE1-CE2 4.45Å
356	T	92.2	Very high	89.3	Confident	45 Å²	45	88.1 Å²	88.1	28%	0.276	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.9	-179.9	54.3	0	0	0	0	110.5	Y347 K358	Y347-T356 PolarHBondContact N-O 3.48Å; Y347-T356 PolarHBondContact O-N 2.92Å; T356-K358 VanDerWaalsContact C-N 3.33Å; T356-K358 PolarHBondContact OG1-O 3.42Å
357	K	90.6	Very high	89.4	Confident	179 Å²	179	86.7 Å²	86.7	78%	0.778	44%	0.438	S	S	*	.	S	Bend	trans	-73.4	-25.1	175.3	-66	-172.6	176.3	-172.8	0	113.3
358	K	88.3	Confident	89.5	Confident	182 Å²	182	85.5 Å²	85.5	79%	0.791	43%	0.433	S	S	*	.	S	Bend	trans	-91	136.9	173.8	-67	-173.1	178.1	-176	0	109	T356 P360	T356-K358 VanDerWaalsContact C-N 3.33Å; T356-K358 PolarHBondContact OG1-O 3.42Å; K358-P360 WeakPolarHBondContact O-CD 3.45Å
359	A	87.6	Confident	89.7	Confident	51 Å²	51	83.7 Å²	83.7	42%	0.421	43%	0.425	S	S	.	.			trans	-59.5	121.6	174.8	0	0	0	0	0	109.9	Y347 T361	Y347-A359 HydrophobicContact CD1-CB 4.04Å; Y347-A359 HydrophobicContact CD2-CB 4.47Å; Y347-A359 HydrophobicContact CE1-CB 3.98Å; Y347-A359 HydrophobicContact CE2-CB 4.42Å; Y347-A359 HydrophobicContact CG-CB 4.31Å; A359-T361 VanDerWaalsContact C-N 3.33Å
360	P	83.2	Confident	89.8	Confident	44 Å²	44	85.1 Å²	85.1	29%	0.286	43%	0.431	S	S	.	.	S	Bend	trans	-72.7	-26.6	-177.3	23.5	-28.4	0	0	0	112.8	N349 K358 S364	N349-P360 HydrophobicContact CB-CB 4.06Å; N349-P360 HydrophobicContact CB-CG 4.08Å; K358-P360 WeakPolarHBondContact O-CD 3.45Å; P360-S364 WeakPolarHBondContact CG-OG 3.48Å
361	T	84.1	Confident	90.1	Very high	86 Å²	86	82.6 Å²	82.6	53%	0.528	41%	0.412	S	S	.	.	S	Bend	trans	-135.7	161	166.7	62.6	0	0	0	0	109.8	A359 N363 S364	A359-T361 VanDerWaalsContact C-N 3.33Å; T361-N363 PolarHBondContact O-N 3.14Å; T361-N363 VanDerWaalsContact O-N 3.16Å; T361-S364 PolarHBondContact N-OG 2.83Å; T361-S364 WeakPolarHBondContact O-CB 3.28Å; T361-S364 PolarHBondContact O-N 3.4Å; T361-S364 VanDerWaalsContact O-N 3.1Å; T361-S364 PolarHBondContact O-OG 2.94Å; T361-S364 PolarHBondContact OG1-N 3.23Å; T361-S364 PolarHBondContact OG1-OG 3.19Å
362	S	78.3	Confident	90.4	Very high	120 Å²	120	73.2 Å²	73.2	84%	0.839	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.2	-179.3	57.2	0	0	0	0	113.8
363	N	82.7	Confident	90.6	Very high	142 Å²	142	69.9 Å²	69.9	76%	0.759	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	9	-179.1	-65	12.4	0	0	0	112.5	T361 Q365	T361-N363 PolarHBondContact O-N 3.14Å; T361-N363 VanDerWaalsContact O-N 3.16Å; N363-Q365 PolarHBondContact O-N 2.81Å
364	S	86.8	Confident	90.9	Very high	28 Å²	28	62.3 Å²	62.3	20%	0.196	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-67.7	129	176.5	-71.5	0	0	0	0	110.2	Y347 P360 T361	Y347-S364 WeakPolarHBondContact CE1-O 3.37Å; P360-S364 WeakPolarHBondContact CG-OG 3.48Å; T361-S364 PolarHBondContact N-OG 2.83Å; T361-S364 WeakPolarHBondContact O-CB 3.28Å; T361-S364 PolarHBondContact O-N 3.4Å; T361-S364 VanDerWaalsContact O-N 3.1Å; T361-S364 PolarHBondContact O-OG 2.94Å; T361-S364 PolarHBondContact OG1-N 3.23Å; T361-S364 PolarHBondContact OG1-OG 3.19Å
365	Q	91.3	Very high	91.1	Very high	54 Å²	54	56.7 Å²	56.7	25%	0.252	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-83.5	164.8	175	-62.3	176.8	-0.2	0	0	111.1	Y347 N363 V369 E374	Y347-Q365 WeakPolarHBondContact CD1-O 3.23Å; N363-Q365 PolarHBondContact O-N 2.81Å; Q365-V369 HydrophobicContact CB-CB 4.2Å; Q365-V369 HydrophobicContact CB-CG1 4.24Å; Q365-V369 HydrophobicContact CG-CG1 4.42Å; Q365-E374 VanDerWaalsContact CD-OE1 3.23Å; Q365-E374 PolarHBondContact NE2-OE1 3.19Å; Q365-E374 VanDerWaalsContact OE1-CD 3.25Å; Q365-E374 PolarHBondContact OE1-OE1 2.88Å
366	R	94.3	Very high	91.1	Very high	33 Å²	33	54.7 Å²	54.7	13%	0.125	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-70.7	156.2	174.9	-70.8	78.4	171.8	-171.1	-1.4	109.8	Y274 Y275 D345 I346 Y347 F368 V369 E370	Y274-R366 HydrophobicContact CE1-CG 4.41Å; Y275-R366 VanDerWaalsContact OH-CZ 3.23Å; Y275-R366 PolarHBondContact OH-NH1 3.02Å; Y275-R366 PolarHBondContact OH-NH2 3.19Å; D345-R366 IonicContact OD1-NE 2.99Å; D345-R366 IonicContact OD1-NH2 3.95Å; I346-R366 CarbonylContact O-C 3.56Å; I346-R366 VanDerWaalsContact O-CA 3.3Å; I346-R366 WeakPolarHBondContact O-CA 3.49Å; Y347-R366 HydrophobicContact CE1-CG 4.08Å; Y347-R366 PolarHBondContact OH-NE 2.67Å; R366-F368 VanDerWaalsContact C-N 3.27Å; R366-F368 PolarHBondContact O-N 2.8Å; R366-V369 HydrophobicContact CB-CG2 4.22Å; R366-V369 PolarHBondContact O-N 2.66Å; R366-E370 PolarHBondContact O-N 3.34Å
367	S	95.3	Very high	91.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-54.7	-42.1	176.6	53.2	0	0	0	0	112.4	R341 L342 I346 V369 E370 F371	R341-S367 WeakPolarHBondContact O-CB 3.24Å; R341-S367 PolarHBondContact O-OG 2.92Å; L342-S367 PolarHBondContact O-OG 3.03Å; I346-S367 PolarHBondContact O-N 3.01Å; I346-S367 PolarHBondContact O-OG 3.08Å; S367-V369 VanDerWaalsContact C-N 3.31Å; S367-V369 PolarHBondContact O-N 3.35Å; S367-E370 PolarHBondContact O-N 2.94Å; S367-F371 WeakPolarHBondContact O-CB 3.46Å; S367-F371 WeakPolarHBondContact O-CD2 3.47Å; S367-F371 PolarHBondContact O-N 3.25Å
368	F	96.8	Very high	91.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-42.1	176.1	-165.1	-106.3	0	0	0	112.3	Y274 L277 F308 L319 L342 W343 R366 V372 L373	Y274-F368 HydrophobicContact CD2-CB 4.05Å; Y274-F368 AromaticContact CD2-CD1 3.48Å; Y274-F368 HydrophobicContact CD2-CD1 3.48Å; Y274-F368 VanDerWaalsContact CD2-CD1 3.48Å; Y274-F368 HydrophobicContact CD2-CE1 4.23Å; Y274-F368 HydrophobicContact CD2-CG 4.04Å; Y274-F368 HydrophobicContact CE2-CB 4.07Å; Y274-F368 HydrophobicContact CE2-CD1 4.15Å; Y274-F368 HydrophobicContact CE2-CG 4.29Å; Y274-F368 HydrophobicContact CG-CD1 4.39Å; L277-F368 HydrophobicContact CD1-CE1 4.02Å; F308-F368 HydrophobicContact CD2-CE2 4.41Å; F308-F368 HydrophobicContact CD2-CZ 4.15Å; F308-F368 HydrophobicContact CE1-CZ 4.4Å; F308-F368 AromaticContact CE2-CE2 3.89Å; F308-F368 HydrophobicContact CE2-CE2 3.89Å; F308-F368 AromaticContact CE2-CZ 3.78Å; F308-F368 HydrophobicContact CE2-CZ 3.78Å; F308-F368 HydrophobicContact CZ-CE2 4.32Å; F308-F368 AromaticContact CZ-CZ 3.92Å; F308-F368 HydrophobicContact CZ-CZ 3.92Å; L319-F368 HydrophobicContact CD2-CD2 3.79Å; L319-F368 HydrophobicContact CD2-CE2 3.6Å; L342-F368 WeakPolarHBondContact O-CA 3.11Å; L342-F368 WeakPolarHBondContact O-CB 3.37Å; L342-F368 WeakPolarHBondContact O-CD2 2.88Å; L342-F368 PolarHBondContact O-N 2.76Å; W343-F368 HydrophobicContact CE3-CB 4.37Å; W343-F368 HydrophobicContact CE3-CD1 4.12Å; W343-F368 AromaticContact CE3-CD2 3.6Å; W343-F368 HydrophobicContact CE3-CD2 3.6Å; W343-F368 HydrophobicContact CE3-CE1 4.27Å; W343-F368 AromaticContact CE3-CE2 3.79Å; W343-F368 HydrophobicContact CE3-CE2 3.79Å; W343-F368 AromaticContact CE3-CG 3.75Å; W343-F368 HydrophobicContact CE3-CG 3.75Å; W343-F368 HydrophobicContact CE3-CZ 4.12Å; W343-F368 AromaticContact CZ3-CD1 3.92Å; W343-F368 HydrophobicContact CZ3-CD1 3.92Å; W343-F368 HydrophobicContact CZ3-CD2 4.12Å; W343-F368 AromaticContact CZ3-CE1 3.79Å; W343-F368 HydrophobicContact CZ3-CE1 3.79Å; W343-F368 HydrophobicContact CZ3-CE2 4.02Å; W343-F368 HydrophobicContact CZ3-CG 4.05Å; W343-F368 AromaticContact CZ3-CZ 3.84Å; W343-F368 HydrophobicContact CZ3-CZ 3.84Å; R366-F368 VanDerWaalsContact C-N 3.27Å; R366-F368 PolarHBondContact O-N 2.8Å; F368-V372 HydrophobicContact CD2-CB 4.05Å; F368-V372 HydrophobicContact CD2-CG1 4.46Å; F368-V372 HydrophobicContact CD2-CG2 3.92Å; F368-V372 HydrophobicContact CE2-CB 4Å; F368-V372 HydrophobicContact CE2-CG1 3.9Å; F368-V372 HydrophobicContact CE2-CG2 4.06Å; F368-V372 HydrophobicContact CG-CB 4.44Å; F368-V372 HydrophobicContact CZ-CB 4.35Å; F368-V372 HydrophobicContact CZ-CG1 4Å; F368-V372 WeakPolarHBondContact O-CA 3.38Å; F368-V372 WeakPolarHBondContact O-CB 3.36Å; F368-V372 PolarHBondContact O-N 2.82Å; F368-L373 HydrophobicContact CD1-CD1 3.83Å; F368-L373 HydrophobicContact CD1-CG 3.78Å; F368-L373 HydrophobicContact CE1-CD1 3.8Å; F368-L373 HydrophobicContact CE1-CD2 3.84Å; F368-L373 HydrophobicContact CE1-CG 3.58Å; F368-L373 PolarHBondContact O-N 3.01Å
369	V	96.3	Very high	91.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-69.7	-48.7	-177.5	-176.3	0	0	0	0	109.7	P270 Y274 Q365 R366 S367 L373 E374	P270-V369 HydrophobicContact CB-CG1 3.66Å; Y274-V369 HydrophobicContact CD1-CG2 4.35Å; Y274-V369 HydrophobicContact CG-CG2 4Å; Q365-V369 HydrophobicContact CB-CB 4.2Å; Q365-V369 HydrophobicContact CB-CG1 4.24Å; Q365-V369 HydrophobicContact CG-CG1 4.42Å; R366-V369 HydrophobicContact CB-CG2 4.22Å; R366-V369 PolarHBondContact O-N 2.66Å; S367-V369 VanDerWaalsContact C-N 3.31Å; S367-V369 PolarHBondContact O-N 3.35Å; V369-L373 PolarHBondContact O-N 3.42Å; V369-E374 WeakPolarHBondContact O-CB 3.38Å; V369-E374 WeakPolarHBondContact O-CG 3.25Å; V369-E374 PolarHBondContact O-N 2.87Å
370	E	95	Very high	91.7	Very high	61 Å²	61	40.5 Å²	40.5	29%	0.285	22%	0.218	S	C	.	.	I	π-helix	trans	-69	-40.7	-176.3	-173.3	177	179.6	0	0	113.1	R366 S367 P375	R366-E370 PolarHBondContact O-N 3.34Å; S367-E370 PolarHBondContact O-N 2.94Å; E370-P375 WeakPolarHBondContact O-CD 3.46Å
371	F	95.4	Very high	92	Very high	34 Å²	34	41.3 Å²	41.3	15%	0.149	23%	0.225	C	C	.	.	I	π-helix	trans	-101	-16.1	-173.4	-69.8	-89.2	0	0	0	114.7	F322 Y326 F338 L342 F348 F355 S367	F322-F371 WeakPolarHBondContact CE1-O 3.48Å; Y326-F371 HydrophobicContact CE1-CD1 4.48Å; Y326-F371 HydrophobicContact CE2-CB 4.36Å; Y326-F371 WeakPolarHBondContact CE2-O 3.21Å; Y326-F371 PolarHBondContact OH-O 3.26Å; F338-F371 AromaticContact CZ-CD1 3.88Å; F338-F371 HydrophobicContact CZ-CD1 3.88Å; F338-F371 HydrophobicContact CZ-CE1 4.26Å; F338-F371 HydrophobicContact CZ-CG 4.23Å; L342-F371 HydrophobicContact CD2-CB 3.89Å; L342-F371 HydrophobicContact CD2-CG 4.38Å; F348-F371 HydrophobicContact CB-CE2 3.59Å; F348-F371 HydrophobicContact CB-CZ 4.2Å; F348-F371 AromaticContact CD1-CE2 3.93Å; F348-F371 HydrophobicContact CD1-CE2 3.93Å; F348-F371 AromaticContact CD1-CZ 3.71Å; F348-F371 HydrophobicContact CD1-CZ 3.71Å; F348-F371 HydrophobicContact CD2-CE2 4.27Å; F348-F371 HydrophobicContact CD2-CZ 4.12Å; F348-F371 HydrophobicContact CE1-CZ 4.04Å; F348-F371 HydrophobicContact CE2-CZ 4.43Å; F348-F371 AromaticContact CG-CE2 3.69Å; F348-F371 HydrophobicContact CG-CE2 3.69Å; F348-F371 AromaticContact CG-CZ 3.75Å; F348-F371 HydrophobicContact CG-CZ 3.75Å; F348-F371 HydrophobicContact CZ-CZ 4.39Å; F355-F371 HydrophobicContact CE1-CE2 4.45Å; S367-F371 WeakPolarHBondContact O-CB 3.46Å; S367-F371 WeakPolarHBondContact O-CD2 3.47Å; S367-F371 PolarHBondContact O-N 3.25Å
372	V	96.1	Very high	92.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-118.8	-60.4	-178.2	-175.5	0	0	0	0	110.8	F317 F322 F368 P375 L376	F317-V372 HydrophobicContact CD2-CG1 4.32Å; F317-V372 HydrophobicContact CE2-CG1 3.44Å; F317-V372 VanDerWaalsContact CE2-CG1 3.44Å; F317-V372 HydrophobicContact CZ-CG1 3.7Å; F322-V372 HydrophobicContact CD1-CG2 4.12Å; F322-V372 HydrophobicContact CD2-CG1 4.02Å; F322-V372 HydrophobicContact CE1-CG2 4.35Å; F322-V372 HydrophobicContact CE2-CG1 3.94Å; F322-V372 HydrophobicContact CG-CG1 4.34Å; F322-V372 HydrophobicContact CG-CG2 4.38Å; F322-V372 HydrophobicContact CZ-CG1 4.22Å; F368-V372 HydrophobicContact CD2-CB 4.05Å; F368-V372 HydrophobicContact CD2-CG1 4.46Å; F368-V372 HydrophobicContact CD2-CG2 3.92Å; F368-V372 HydrophobicContact CE2-CB 4Å; F368-V372 HydrophobicContact CE2-CG1 3.9Å; F368-V372 HydrophobicContact CE2-CG2 4.06Å; F368-V372 HydrophobicContact CG-CB 4.44Å; F368-V372 HydrophobicContact CZ-CB 4.35Å; F368-V372 HydrophobicContact CZ-CG1 4Å; F368-V372 WeakPolarHBondContact O-CA 3.38Å; F368-V372 WeakPolarHBondContact O-CB 3.36Å; F368-V372 PolarHBondContact O-N 2.82Å; V372-P375 WeakPolarHBondContact O-CD 3.37Å; V372-L376 VanDerWaalsContact O-CB 3.28Å; V372-L376 WeakPolarHBondContact O-CB 3.05Å; V372-L376 PolarHBondContact O-N 2.88Å
373	L	95.9	Very high	92.8	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	17%	0.168	C	C	.	.	I	π-helix	trans	-71.4	-43.9	-174.5	-66.1	-179.7	0	0	0	112.9	P270 A273 L277 F368 V369 L376 Y377	P270-L373 HydrophobicContact CB-CB 4.21Å; P270-L373 WeakPolarHBondContact O-CD1 3.47Å; A273-L373 HydrophobicContact CB-CD1 4.48Å; L277-L373 HydrophobicContact CD1-CD2 4.33Å; F368-L373 HydrophobicContact CD1-CD1 3.83Å; F368-L373 HydrophobicContact CD1-CG 3.78Å; F368-L373 HydrophobicContact CE1-CD1 3.8Å; F368-L373 HydrophobicContact CE1-CD2 3.84Å; F368-L373 HydrophobicContact CE1-CG 3.58Å; F368-L373 PolarHBondContact O-N 3.01Å; V369-L373 PolarHBondContact O-N 3.42Å; L373-L376 HydrophobicContact CD2-CD2 4.45Å; L373-L376 PolarHBondContact O-N 2.57Å; L373-Y377 HydrophobicContact CB-CD2 4.31Å; L373-Y377 HydrophobicContact CB-CE2 4.34Å; L373-Y377 HydrophobicContact CD2-CE2 4.46Å; L373-Y377 WeakPolarHBondContact O-CB 3.47Å; L373-Y377 WeakPolarHBondContact O-CD2 3.49Å; L373-Y377 PolarHBondContact O-N 2.8Å
374	E	94.9	Very high	93	Very high	52 Å²	52	29.5 Å²	29.5	24%	0.243	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-47.4	179.6	-81.2	-161.4	164.3	0	0	113.1	Q365 V369 L376 Y377 K378	Q365-E374 VanDerWaalsContact CD-OE1 3.23Å; Q365-E374 PolarHBondContact NE2-OE1 3.19Å; Q365-E374 VanDerWaalsContact OE1-CD 3.25Å; Q365-E374 PolarHBondContact OE1-OE1 2.88Å; V369-E374 WeakPolarHBondContact O-CB 3.38Å; V369-E374 WeakPolarHBondContact O-CG 3.25Å; V369-E374 PolarHBondContact O-N 2.87Å; E374-L376 VanDerWaalsContact C-N 3.34Å; E374-L376 PolarHBondContact O-N 2.58Å; E374-Y377 PolarHBondContact O-N 3.31Å; E374-K378 WeakPolarHBondContact O-CB 3.44Å; E374-K378 VanDerWaalsContact O-CG 3.28Å; E374-K378 WeakPolarHBondContact O-CG 3.28Å; E374-K378 PolarHBondContact O-N 3.3Å; E374-K378 IonicContact OE2-NZ 3.67Å
375	P	94.3	Very high	92.9	Very high	29 Å²	29	30.9 Å²	30.9	19%	0.188	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-44.5	172.3	-26.6	35.6	0	0	0	112.7	E370 V372 Y377 K378 I379	E370-P375 WeakPolarHBondContact O-CD 3.46Å; V372-P375 WeakPolarHBondContact O-CD 3.37Å; P375-Y377 PolarHBondContact O-N 3.47Å; P375-K378 PolarHBondContact O-N 3.05Å; P375-I379 WeakPolarHBondContact O-CG1 3.48Å; P375-I379 PolarHBondContact O-N 3.06Å
376	L	94.4	Very high	92.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-45.9	178.7	177.5	59.9	0	0	0	112	V259 I263 I315 F317 V372 L373 E374 K378 I379 L380 F423	V259-L376 HydrophobicContact CG2-CD2 4.5Å; I263-L376 HydrophobicContact CD1-CD2 3.99Å; I263-L376 HydrophobicContact CD1-CG 3.94Å; I315-L376 HydrophobicContact CD1-CD1 3.98Å; F317-L376 HydrophobicContact CE1-CD2 4.3Å; F317-L376 HydrophobicContact CZ-CD2 4.44Å; V372-L376 VanDerWaalsContact O-CB 3.28Å; V372-L376 WeakPolarHBondContact O-CB 3.05Å; V372-L376 PolarHBondContact O-N 2.88Å; L373-L376 HydrophobicContact CD2-CD2 4.45Å; L373-L376 PolarHBondContact O-N 2.57Å; E374-L376 VanDerWaalsContact C-N 3.34Å; E374-L376 PolarHBondContact O-N 2.58Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 3.47Å; L376-I379 PolarHBondContact O-N 2.86Å; L376-L380 HydrophobicContact CD1-CD1 3.72Å; L376-L380 HydrophobicContact CG-CD1 3.88Å; L376-L380 WeakPolarHBondContact O-CD1 3.47Å; L376-L380 PolarHBondContact O-N 2.89Å; L376-F423 HydrophobicContact CD1-CE2 4.34Å; L376-F423 HydrophobicContact CD1-CZ 4.09Å
377	Y	94.6	Very high	91.6	Very high	29 Å²	29	31.7 Å²	31.7	11%	0.114	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-40.3	175.7	-89	-117.6	0	0	0	111.8	I263 L268 P270 A273 L373 E374 P375 S381	I263-Y377 HydrophobicContact CB-CE1 4.31Å; I263-Y377 HydrophobicContact CB-CE2 4.36Å; I263-Y377 HydrophobicContact CD1-CD2 3.54Å; I263-Y377 HydrophobicContact CD1-CE2 3.44Å; I263-Y377 VanDerWaalsContact CD1-CE2 3.44Å; I263-Y377 HydrophobicContact CD1-CG 4.34Å; I263-Y377 HydrophobicContact CG1-CD2 3.91Å; I263-Y377 HydrophobicContact CG1-CE1 4.18Å; I263-Y377 HydrophobicContact CG1-CE2 3.41Å; I263-Y377 VanDerWaalsContact CG1-CE2 3.41Å; I263-Y377 HydrophobicContact CG2-CD1 3.79Å; I263-Y377 HydrophobicContact CG2-CD2 4.19Å; I263-Y377 HydrophobicContact CG2-CE1 3.86Å; I263-Y377 HydrophobicContact CG2-CE2 4.31Å; I263-Y377 HydrophobicContact CG2-CG 3.96Å; L268-Y377 WeakPolarHBondContact O-CE1 3.07Å; L268-Y377 PolarHBondContact O-OH 3.41Å; L268-Y377 VanDerWaalsContact O-OH 3.07Å; P270-Y377 HydrophobicContact CB-CE2 4.48Å; P270-Y377 HydrophobicContact CG-CD1 3.8Å; P270-Y377 HydrophobicContact CG-CD2 4.34Å; P270-Y377 HydrophobicContact CG-CE1 3.94Å; P270-Y377 HydrophobicContact CG-CE2 4.42Å; P270-Y377 HydrophobicContact CG-CG 4.01Å; A273-Y377 WeakPolarHBondContact CB-OH 3.48Å; L373-Y377 HydrophobicContact CB-CD2 4.31Å; L373-Y377 HydrophobicContact CB-CE2 4.34Å; L373-Y377 HydrophobicContact CD2-CE2 4.46Å; L373-Y377 WeakPolarHBondContact O-CB 3.47Å; L373-Y377 WeakPolarHBondContact O-CD2 3.49Å; L373-Y377 PolarHBondContact O-N 2.8Å; E374-Y377 PolarHBondContact O-N 3.31Å; P375-Y377 PolarHBondContact O-N 3.47Å; Y377-S381 VanDerWaalsContact O-CB 3.22Å; Y377-S381 WeakPolarHBondContact O-CB 3.25Å; Y377-S381 PolarHBondContact O-N 3.26Å; Y377-S381 PolarHBondContact O-OG 3.15Å
378	K	92.2	Very high	90.6	Very high	120 Å²	120	39.1 Å²	39.1	52%	0.522	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-46.2	175.9	-75.2	169.2	-175.4	165.2	0	111	E374 P375 L376 S381 Q382	E374-K378 WeakPolarHBondContact O-CB 3.44Å; E374-K378 VanDerWaalsContact O-CG 3.28Å; E374-K378 WeakPolarHBondContact O-CG 3.28Å; E374-K378 PolarHBondContact O-N 3.3Å; E374-K378 IonicContact OE2-NZ 3.67Å; P375-K378 PolarHBondContact O-N 3.05Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 3.47Å; K378-S381 PolarHBondContact O-OG 2.61Å; K378-Q382 VanDerWaalsContact O-CB 3.25Å; K378-Q382 WeakPolarHBondContact O-CB 3.45Å; K378-Q382 WeakPolarHBondContact O-CG 3.3Å; K378-Q382 PolarHBondContact O-N 2.8Å
379	I	91.7	Very high	89.9	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.046	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-52.9	176.8	-67	165.8	0	0	0	110.2	P375 L376 Q382 V383 L398 V418 F422	P375-I379 WeakPolarHBondContact O-CG1 3.48Å; P375-I379 PolarHBondContact O-N 3.06Å; L376-I379 PolarHBondContact O-N 2.86Å; I379-Q382 PolarHBondContact O-N 3.45Å; I379-V383 WeakPolarHBondContact O-CG2 3.32Å; I379-V383 PolarHBondContact O-N 2.9Å; I379-L398 HydrophobicContact CD1-CD1 4.08Å; I379-L398 HydrophobicContact CG1-CD1 3.82Å; I379-V418 HydrophobicContact CG2-CG1 3.98Å; I379-F422 HydrophobicContact CD1-CD1 3.83Å; I379-F422 HydrophobicContact CD1-CD2 4.38Å; I379-F422 HydrophobicContact CD1-CE1 3.77Å; I379-F422 HydrophobicContact CD1-CE2 4.34Å; I379-F422 HydrophobicContact CD1-CG 4.14Å; I379-F422 HydrophobicContact CD1-CZ 4.03Å
380	L	92.1	Very high	89.4	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-45.8	-178	-78.8	150.6	0	0	0	112.7	I263 V264 Y313 L376 V383 V384 L415	I263-L380 HydrophobicContact CB-CD1 4.29Å; I263-L380 HydrophobicContact CD1-CD1 3.33Å; I263-L380 HydrophobicContact CG1-CD1 4.31Å; I263-L380 HydrophobicContact CG2-CB 4.16Å; I263-L380 HydrophobicContact CG2-CD1 4.09Å; V264-L380 HydrophobicContact CG2-CD2 4.25Å; Y313-L380 HydrophobicContact CD2-CD2 4.49Å; L376-L380 HydrophobicContact CD1-CD1 3.72Å; L376-L380 HydrophobicContact CG-CD1 3.88Å; L376-L380 WeakPolarHBondContact O-CD1 3.47Å; L376-L380 PolarHBondContact O-N 2.89Å; L380-V383 PolarHBondContact O-N 3.02Å; L380-V384 WeakPolarHBondContact O-CB 3.29Å; L380-V384 VanDerWaalsContact O-CG2 3.25Å; L380-V384 WeakPolarHBondContact O-CG2 3.39Å; L380-V384 PolarHBondContact O-N 3.33Å; L380-L415 HydrophobicContact CD2-CD1 4.04Å; L380-L415 HydrophobicContact CD2-CD2 3.66Å; L380-L415 HydrophobicContact CD2-CG 4.49Å; L380-L415 HydrophobicContact CG-CD2 4.31Å
381	S	89.9	Confident	89	Confident	61 Å²	61	43.9 Å²	43.9	43%	0.427	25%	0.251	S	S	.	.	H	α-helix	trans	-67.9	-36.1	-179.3	57.8	0	0	0	0	113.1	Y377 K378 V384 G385	Y377-S381 VanDerWaalsContact O-CB 3.22Å; Y377-S381 WeakPolarHBondContact O-CB 3.25Å; Y377-S381 PolarHBondContact O-N 3.26Å; Y377-S381 PolarHBondContact O-OG 3.15Å; K378-S381 PolarHBondContact O-OG 2.61Å; S381-V384 PolarHBondContact O-N 3.02Å; S381-G385 PolarHBondContact O-N 3.21Å
382	Q	89.6	Confident	88.7	Confident	38 Å²	38	45 Å²	45	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-38.8	176.9	-72.8	-66.7	-62.4	0	0	111.9	K378 I379 D386 V387 T390 L391 V394	K378-Q382 VanDerWaalsContact O-CB 3.25Å; K378-Q382 WeakPolarHBondContact O-CB 3.45Å; K378-Q382 WeakPolarHBondContact O-CG 3.3Å; K378-Q382 PolarHBondContact O-N 2.8Å; I379-Q382 PolarHBondContact O-N 3.45Å; Q382-D386 PolarHBondContact NE2-OD2 3.17Å; Q382-D386 CarbonylContact O-C 3.56Å; Q382-D386 PolarHBondContact O-N 3.29Å; Q382-V387 PolarHBondContact O-N 3.14Å; Q382-T390 PolarHBondContact OE1-OG1 3.49Å; Q382-L391 HydrophobicContact CB-CD1 4.35Å; Q382-V394 HydrophobicContact CG-CG2 4.27Å
383	V	89.6	Confident	88.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-75.2	-30.3	176.6	-176.8	0	0	0	0	112.1	I379 L380 V387 L391 L414 L415 V418	I379-V383 WeakPolarHBondContact O-CG2 3.32Å; I379-V383 PolarHBondContact O-N 2.9Å; L380-V383 PolarHBondContact O-N 3.02Å; V383-V387 WeakPolarHBondContact O-CG2 3.48Å; V383-L391 HydrophobicContact CG2-CD1 3.61Å; V383-L391 HydrophobicContact CG2-CD2 4.26Å; V383-L414 HydrophobicContact CG1-CB 4.37Å; V383-L414 HydrophobicContact CG1-CD2 3.99Å; V383-L414 HydrophobicContact CG1-CG 3.92Å; V383-L415 HydrophobicContact CB-CD2 3.55Å; V383-L415 HydrophobicContact CB-CG 3.98Å; V383-L415 HydrophobicContact CG1-CB 4.35Å; V383-L415 HydrophobicContact CG1-CD2 3.71Å; V383-L415 HydrophobicContact CG1-CG 3.59Å; V383-L415 HydrophobicContact CG2-CD2 4.01Å; V383-V418 HydrophobicContact CG2-CB 4.44Å; V383-V418 HydrophobicContact CG2-CG1 4.28Å; V383-V418 HydrophobicContact CG2-CG2 4.2Å
384	V	87.5	Confident	87.9	Confident	62 Å²	62	54.6 Å²	54.6	38%	0.376	30%	0.301	S	S	.	.	H	α-helix	trans	-82.8	-34.6	178.8	176.3	0	0	0	0	112.4	L380 S381 I411 L415	L380-V384 WeakPolarHBondContact O-CB 3.29Å; L380-V384 VanDerWaalsContact O-CG2 3.25Å; L380-V384 WeakPolarHBondContact O-CG2 3.39Å; L380-V384 PolarHBondContact O-N 3.33Å; S381-V384 PolarHBondContact O-N 3.02Å; V384-I411 HydrophobicContact CB-CG2 4.41Å; V384-I411 HydrophobicContact CG2-CG2 3.93Å; V384-L415 HydrophobicContact CG2-CD1 3.81Å
385	G	84.2	Confident	87.7	Confident	57 Å²	57	52.4 Å²	52.4	59%	0.588	29%	0.291	S	S	*	.	H	α-helix	trans	-103.2	-43.9	-171.9	0	0	0	0	0	115.6	S381	S381-G385 PolarHBondContact O-N 3.21Å
386	D	79.9	Confident	87.5	Confident	75 Å²	75	56.1 Å²	56.1	40%	0.401	31%	0.31	S	S	.	.			trans	-126.1	37.9	-162.6	-63.3	-46	0	0	0	113.5	Q382 D388 T389 T390 L391	Q382-D386 PolarHBondContact NE2-OD2 3.17Å; Q382-D386 CarbonylContact O-C 3.56Å; Q382-D386 PolarHBondContact O-N 3.29Å; D386-D388 VanDerWaalsContact C-N 3.3Å; D386-D388 PolarHBondContact O-N 3.25Å; D386-T389 PolarHBondContact O-N 3.01Å; D386-T390 VanDerWaalsContact CB-OG1 3.28Å; D386-T390 WeakPolarHBondContact CB-OG1 3.11Å; D386-T390 PolarHBondContact O-N 3.24Å; D386-L391 PolarHBondContact O-N 3.36Å
387	V	78	Confident	87.2	Confident	30 Å²	30	62.1 Å²	62.1	18%	0.182	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-44	-177	179.8	0	0	0	0	112.9	Q382 V383 L391 L414	Q382-V387 PolarHBondContact O-N 3.14Å; V383-V387 WeakPolarHBondContact O-CG2 3.48Å; V387-L391 HydrophobicContact CB-CD2 4.35Å; V387-L391 HydrophobicContact CG1-CD2 3.98Å; V387-L391 HydrophobicContact CG2-CD2 4.41Å; V387-L391 WeakPolarHBondContact O-CB 3.33Å; V387-L414 HydrophobicContact CG1-CD2 3.88Å; V387-L414 HydrophobicContact CG2-CD2 4.34Å
388	D	74.7	Confident	87	Confident	156 Å²	156	63.6 Å²	63.6	83%	0.834	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-18.5	-170.4	-63.3	-38.8	0	0	0	113.9	D386	D386-D388 VanDerWaalsContact C-N 3.3Å; D386-D388 PolarHBondContact O-N 3.25Å
389	T	81.1	Confident	86.9	Confident	105 Å²	105	60.3 Å²	60.3	64%	0.644	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-54.3	-167.5	62.6	0	0	0	0	113.3	D386	D386-T389 PolarHBondContact O-N 3.01Å
390	T	86.6	Confident	86.9	Confident	53 Å²	53	60.3 Å²	60.3	33%	0.325	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-18.2	-170.6	47.2	0	0	0	0	113.6	Q382 D386 R393 V394	Q382-T390 PolarHBondContact OE1-OG1 3.49Å; D386-T390 VanDerWaalsContact CB-OG1 3.28Å; D386-T390 WeakPolarHBondContact CB-OG1 3.11Å; D386-T390 PolarHBondContact O-N 3.24Å; T390-R393 PolarHBondContact O-N 3.2Å; T390-R393 VanDerWaalsContact O-N 3.16Å; T390-V394 PolarHBondContact O-N 3.45Å; T390-V394 VanDerWaalsContact O-N 3.13Å
391	L	87	Confident	86.9	Confident	2 Å²	2	67 Å²	67	1%	0.01	38%	0.378	C	S	.	.	H	α-helix	trans	-55.1	-47	-177.1	-178.7	65.1	0	0	0	113.7	Q382 V383 D386 V387 R393 V394 L395 L414	Q382-L391 HydrophobicContact CB-CD1 4.35Å; V383-L391 HydrophobicContact CG2-CD1 3.61Å; V383-L391 HydrophobicContact CG2-CD2 4.26Å; D386-L391 PolarHBondContact O-N 3.36Å; V387-L391 HydrophobicContact CB-CD2 4.35Å; V387-L391 HydrophobicContact CG1-CD2 3.98Å; V387-L391 HydrophobicContact CG2-CD2 4.41Å; V387-L391 WeakPolarHBondContact O-CB 3.33Å; L391-R393 VanDerWaalsContact C-N 3.26Å; L391-R393 PolarHBondContact O-N 3.02Å; L391-V394 PolarHBondContact O-N 3.4Å; L391-L395 HydrophobicContact CD1-CD1 4.2Å; L391-L395 HydrophobicContact CD1-CD2 4.16Å; L391-L395 HydrophobicContact CD1-CG 3.92Å; L391-L395 HydrophobicContact CD2-CD1 4.37Å; L391-L395 HydrophobicContact CG-CD1 3.85Å; L391-L395 HydrophobicContact CG-CG 4.05Å; L391-L395 VanDerWaalsContact O-CG 3.29Å; L391-L395 WeakPolarHBondContact O-CG 3.37Å; L391-L395 PolarHBondContact O-N 3.11Å; L391-L414 HydrophobicContact CD2-CD2 4.12Å
392	P	87.7	Confident	86.9	Confident	59 Å²	59	65.5 Å²	65.5	38%	0.383	37%	0.365	S	S	.	.	H	α-helix	trans	-58.2	-38.5	-179.9	-25.4	35.4	0	0	0	113.1	L395 D396	P392-L395 PolarHBondContact O-N 2.82Å; P392-D396 VanDerWaalsContact O-CG 3.3Å; P392-D396 PolarHBondContact O-N 3.39Å
393	R	88.6	Confident	87.1	Confident	176 Å²	176	67.3 Å²	67.3	66%	0.664	38%	0.379	S	S	*	.	H	α-helix	trans	-67	-40.8	177.2	178.4	-177.7	167.7	172.5	0.7	111.8	T390 L391 D396 E397	T390-R393 PolarHBondContact O-N 3.2Å; T390-R393 VanDerWaalsContact O-N 3.16Å; L391-R393 VanDerWaalsContact C-N 3.26Å; L391-R393 PolarHBondContact O-N 3.02Å; R393-D396 PolarHBondContact O-N 2.87Å; R393-E397 IonicContact NE-OE1 3.41Å; R393-E397 PolarHBondContact NE-OE1 2.88Å; R393-E397 IonicContact NH2-OE1 3.88Å; R393-E397 WeakPolarHBondContact O-CG 3.47Å; R393-E397 PolarHBondContact O-N 2.79Å
394	V	88.1	Confident	87	Confident	31 Å²	31	75.9 Å²	75.9	19%	0.188	42%	0.416	C	S	.	.	H	α-helix	trans	-67.4	-39.9	177.2	175.9	0	0	0	0	110.5	Q382 T390 L391 D396 E397 L398	Q382-V394 HydrophobicContact CG-CG2 4.27Å; T390-V394 PolarHBondContact O-N 3.45Å; T390-V394 VanDerWaalsContact O-N 3.13Å; L391-V394 PolarHBondContact O-N 3.4Å; V394-D396 VanDerWaalsContact C-N 3.34Å; V394-D396 PolarHBondContact O-N 2.88Å; V394-E397 WeakPolarHBondContact O-CB 3.42Å; V394-E397 PolarHBondContact O-N 3.26Å; V394-L398 HydrophobicContact CG1-CD1 4.06Å; V394-L398 VanDerWaalsContact O-CG 3.31Å; V394-L398 WeakPolarHBondContact O-CG 3.41Å; V394-L398 PolarHBondContact O-N 3.47Å
395	L	89.2	Confident	87.2	Confident	5 Å²	5	80.4 Å²	80.4	3%	0.026	43%	0.433	C	S	.	.	H	α-helix	trans	-62.1	-41.6	175	-66.6	175.8	0	0	0	111.4	L391 P392 E397 L398 G399 I400 L402 L407 V418	L391-L395 HydrophobicContact CD1-CD1 4.2Å; L391-L395 HydrophobicContact CD1-CD2 4.16Å; L391-L395 HydrophobicContact CD1-CG 3.92Å; L391-L395 HydrophobicContact CD2-CD1 4.37Å; L391-L395 HydrophobicContact CG-CD1 3.85Å; L391-L395 HydrophobicContact CG-CG 4.05Å; L391-L395 VanDerWaalsContact O-CG 3.29Å; L391-L395 WeakPolarHBondContact O-CG 3.37Å; L391-L395 PolarHBondContact O-N 3.11Å; P392-L395 PolarHBondContact O-N 2.82Å; L395-E397 VanDerWaalsContact C-N 3.35Å; L395-E397 PolarHBondContact O-N 3.42Å; L395-L398 CarbonylContact O-C 3.33Å; L395-L398 PolarHBondContact O-N 3.47Å; L395-L398 VanDerWaalsContact O-N 3.11Å; L395-G399 PolarHBondContact O-N 2.79Å; L395-I400 CarbonylContact C-O 3.55Å; L395-I400 HydrophobicContact CB-CB 4.26Å; L395-I400 WeakPolarHBondContact CB-O 3.3Å; L395-I400 HydrophobicContact CD2-CB 3.99Å; L395-I400 HydrophobicContact CD2-CD1 4.03Å; L395-I400 HydrophobicContact CD2-CG2 3.99Å; L395-I400 PolarHBondContact O-N 2.69Å; L395-L402 HydrophobicContact CD1-CD1 3.65Å; L395-L402 HydrophobicContact CD1-CG 4.08Å; L395-L407 HydrophobicContact CD1-CD2 4.39Å; L395-V418 HydrophobicContact CD2-CG1 3.78Å; L395-V418 HydrophobicContact CD2-CG2 4.02Å
396	D	90	Very high	87.5	Confident	108 Å²	108	79.6 Å²	79.6	58%	0.578	41%	0.414	S	S	*	.	H	α-helix	trans	-60.8	-41.3	173.3	-72.3	-22.9	0	0	0	112	P392 R393 V394 L398 G399	P392-D396 VanDerWaalsContact O-CG 3.3Å; P392-D396 PolarHBondContact O-N 3.39Å; R393-D396 PolarHBondContact O-N 2.87Å; V394-D396 VanDerWaalsContact C-N 3.34Å; V394-D396 PolarHBondContact O-N 2.88Å; D396-L398 PolarHBondContact O-N 2.87Å; D396-G399 PolarHBondContact O-N 3.47Å; D396-G399 VanDerWaalsContact O-N 3.16Å
397	E	89.8	Confident	87.9	Confident	128 Å²	128	78.6 Å²	78.6	60%	0.598	41%	0.408	S	S	*	.	H	α-helix	trans	-63.5	-28.5	175.3	-73.9	177.1	-164.7	0	0	112.6	R393 V394 L395	R393-E397 IonicContact NE-OE1 3.41Å; R393-E397 PolarHBondContact NE-OE1 2.88Å; R393-E397 IonicContact NH2-OE1 3.88Å; R393-E397 WeakPolarHBondContact O-CG 3.47Å; R393-E397 PolarHBondContact O-N 2.79Å; V394-E397 WeakPolarHBondContact O-CB 3.42Å; V394-E397 PolarHBondContact O-N 3.26Å; L395-E397 VanDerWaalsContact C-N 3.35Å; L395-E397 PolarHBondContact O-N 3.42Å
398	L	89.5	Confident	88.5	Confident	60 Å²	60	85.3 Å²	85.3	31%	0.314	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.1	177.1	-61.2	172.3	0	0	0	113.3	I379 V394 L395 D396 I400 F422	I379-L398 HydrophobicContact CD1-CD1 4.08Å; I379-L398 HydrophobicContact CG1-CD1 3.82Å; V394-L398 HydrophobicContact CG1-CD1 4.06Å; V394-L398 VanDerWaalsContact O-CG 3.31Å; V394-L398 WeakPolarHBondContact O-CG 3.41Å; V394-L398 PolarHBondContact O-N 3.47Å; L395-L398 CarbonylContact O-C 3.33Å; L395-L398 PolarHBondContact O-N 3.47Å; L395-L398 VanDerWaalsContact O-N 3.11Å; D396-L398 PolarHBondContact O-N 2.87Å; L398-I400 VanDerWaalsContact C-N 3.29Å; L398-I400 HydrophobicContact CB-CD1 3.92Å; L398-I400 HydrophobicContact CB-CG1 4.08Å; L398-I400 HydrophobicContact CD1-CD1 4.24Å; L398-I400 PolarHBondContact O-N 2.78Å; L398-F422 HydrophobicContact CB-CD2 4.35Å; L398-F422 HydrophobicContact CD1-CD2 4.45Å; L398-F422 HydrophobicContact CD2-CD2 4.36Å; L398-F422 HydrophobicContact CD2-CE2 3.82Å
399	G	89.4	Confident	89.2	Confident	50 Å²	50	80.7 Å²	80.7	52%	0.515	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	13.6	-176.8	0	0	0	0	0	114.9	L395 D396 H401	L395-G399 PolarHBondContact O-N 2.79Å; D396-G399 PolarHBondContact O-N 3.47Å; D396-G399 VanDerWaalsContact O-N 3.16Å; G399-H401 PolarHBondContact O-ND1 2.93Å
400	I	92.3	Very high	89.6	Confident	9 Å²	9	80.6 Å²	80.6	5%	0.046	41%	0.406	C	S	.	.			trans	-91.6	125.4	-177	-57.6	168.4	0	0	0	109.5	L395 L398 L402 V418 R421 F422	L395-I400 CarbonylContact C-O 3.55Å; L395-I400 HydrophobicContact CB-CB 4.26Å; L395-I400 WeakPolarHBondContact CB-O 3.3Å; L395-I400 HydrophobicContact CD2-CB 3.99Å; L395-I400 HydrophobicContact CD2-CD1 4.03Å; L395-I400 HydrophobicContact CD2-CG2 3.99Å; L395-I400 PolarHBondContact O-N 2.69Å; L398-I400 VanDerWaalsContact C-N 3.29Å; L398-I400 HydrophobicContact CB-CD1 3.92Å; L398-I400 HydrophobicContact CB-CG1 4.08Å; L398-I400 HydrophobicContact CD1-CD1 4.24Å; L398-I400 PolarHBondContact O-N 2.78Å; I400-L402 HydrophobicContact CG2-CD2 4.16Å; I400-L402 HydrophobicContact CG2-CG 4.28Å; I400-V418 HydrophobicContact CD1-CG1 4.28Å; I400-R421 HydrophobicContact CG1-CB 4.38Å; I400-R421 HydrophobicContact CG2-CB 3.72Å; I400-R421 HydrophobicContact CG2-CG 4.23Å; I400-F422 HydrophobicContact CD1-CB 3.72Å; I400-F422 HydrophobicContact CD1-CD2 4.11Å; I400-F422 HydrophobicContact CD1-CG 4.35Å
401	H	91.4	Very high	89.8	Confident	142 Å²	142	81.9 Å²	81.9	66%	0.657	41%	0.409	S	S	*	.			trans	-115.3	117.1	179.8	-61.7	64.6	0	0	0	109.2	G399	G399-H401 PolarHBondContact O-ND1 2.93Å
402	L	90.9	Very high	89.9	Confident	30 Å²	30	89.9 Å²	89.9	16%	0.157	44%	0.44	C	S	.	.			trans	-109.1	144.7	176.3	-60.3	-177.4	0	0	0	110.9	L395 I400 E406 L407 L414 L417 V418 R421	L395-L402 HydrophobicContact CD1-CD1 3.65Å; L395-L402 HydrophobicContact CD1-CG 4.08Å; I400-L402 HydrophobicContact CG2-CD2 4.16Å; I400-L402 HydrophobicContact CG2-CG 4.28Å; L402-E406 HydrophobicContact CB-CB 4.37Å; L402-L407 HydrophobicContact CB-CD2 4.23Å; L402-L407 HydrophobicContact CB-CG 4.05Å; L402-L407 HydrophobicContact CD1-CD2 3.93Å; L402-L414 HydrophobicContact CD1-CD1 3.79Å; L402-L417 HydrophobicContact CD2-CD2 3.91Å; L402-L417 HydrophobicContact CD2-CG 4.07Å; L402-V418 HydrophobicContact CD1-CG2 3.86Å; L402-R421 HydrophobicContact CD2-CG 4.4Å
403	T	93	Very high	90.1	Very high	76 Å²	76	88 Å²	88	47%	0.466	43%	0.427	S	S	.	.			trans	-72	162	172.5	66.1	0	0	0	0	111.3	E405 E406 L407	T403-E405 PolarHBondContact O-N 3.06Å; T403-E406 WeakPolarHBondContact CB-OE2 3.41Å; T403-E406 WeakPolarHBondContact CG2-OE2 3.44Å; T403-E406 PolarHBondContact N-OE2 2.81Å; T403-E406 PolarHBondContact O-N 3.48Å; T403-E406 WeakPolarHBondContact OG1-CB 3.29Å; T403-E406 VanDerWaalsContact OG1-CD 3.28Å; T403-E406 WeakPolarHBondContact OG1-CG 3.46Å; T403-E406 PolarHBondContact OG1-N 2.98Å; T403-E406 PolarHBondContact OG1-OE2 2.79Å; T403-L407 PolarHBondContact O-N 3.06Å
404	K	89.1	Confident	90.2	Very high	179 Å²	179	79.7 Å²	79.7	78%	0.778	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.5	176.9	-70.4	-173.5	179.1	-179.6	0	113.7	K408	K404-K408 WeakPolarHBondContact O-CG 3.47Å
405	E	91.4	Very high	90.4	Very high	157 Å²	157	78.2 Å²	78.2	73%	0.734	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-44.6	176.1	-68	-178.2	175.2	0	0	110.3	T403 L407 K408	T403-E405 PolarHBondContact O-N 3.06Å; E405-L407 VanDerWaalsContact C-N 3.3Å; E405-L407 PolarHBondContact O-N 3.42Å; E405-K408 WeakPolarHBondContact O-CB 3.46Å; E405-K408 PolarHBondContact O-N 2.98Å
406	E	90.1	Very high	90.5	Very high	40 Å²	40	79.3 Å²	79.3	19%	0.187	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-59.3	-38.4	175	-73.5	167.1	144.6	0	0	112.4	L402 T403 K408 L409 L417 R421	L402-E406 HydrophobicContact CB-CB 4.37Å; T403-E406 WeakPolarHBondContact CB-OE2 3.41Å; T403-E406 WeakPolarHBondContact CG2-OE2 3.44Å; T403-E406 PolarHBondContact N-OE2 2.81Å; T403-E406 PolarHBondContact O-N 3.48Å; T403-E406 WeakPolarHBondContact OG1-CB 3.29Å; T403-E406 VanDerWaalsContact OG1-CD 3.28Å; T403-E406 WeakPolarHBondContact OG1-CG 3.46Å; T403-E406 PolarHBondContact OG1-N 2.98Å; T403-E406 PolarHBondContact OG1-OE2 2.79Å; E406-K408 PolarHBondContact O-N 2.92Å; E406-L409 HydrophobicContact CB-CD1 4.47Å; E406-L409 VanDerWaalsContact O-CB 3.28Å; E406-L409 WeakPolarHBondContact O-CB 3.39Å; E406-L409 WeakPolarHBondContact O-CD1 3.41Å; E406-L409 WeakPolarHBondContact O-CG 3.48Å; E406-L409 PolarHBondContact O-N 3.43Å; E406-L409 VanDerWaalsContact O-N 3.15Å; E406-L417 HydrophobicContact CB-CD2 3.6Å; E406-L417 HydrophobicContact CG-CD2 3.55Å; E406-R421 IonicContact OE1-NH2 3.41Å
407	L	88.3	Confident	90.7	Very high	54 Å²	54	75.7 Å²	75.7	28%	0.283	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-65.7	-17.1	176.2	-75.7	169.7	0	0	0	114.2	L395 L402 T403 E405	L395-L407 HydrophobicContact CD1-CD2 4.39Å; L402-L407 HydrophobicContact CB-CD2 4.23Å; L402-L407 HydrophobicContact CB-CG 4.05Å; L402-L407 HydrophobicContact CD1-CD2 3.93Å; T403-L407 PolarHBondContact O-N 3.06Å; E405-L407 VanDerWaalsContact C-N 3.3Å; E405-L407 PolarHBondContact O-N 3.42Å
408	K	89.5	Confident	90.8	Very high	172 Å²	172	69.7 Å²	69.7	75%	0.748	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-90.2	-1.9	177.2	-68	174.3	-177.7	178.4	0	113.1	K404 E405 E406	K404-K408 WeakPolarHBondContact O-CG 3.47Å; E405-K408 WeakPolarHBondContact O-CB 3.46Å; E405-K408 PolarHBondContact O-N 2.98Å; E406-K408 PolarHBondContact O-N 2.92Å
409	L	89.9	Confident	91.1	Very high	58 Å²	58	66.8 Å²	66.8	30%	0.304	33%	0.328	S	S	.	.	S	Bend	trans	-62.5	156.2	176.6	-67.8	173.2	0	0	0	111	E406 P413 L414 L417	E406-L409 HydrophobicContact CB-CD1 4.47Å; E406-L409 VanDerWaalsContact O-CB 3.28Å; E406-L409 WeakPolarHBondContact O-CB 3.39Å; E406-L409 WeakPolarHBondContact O-CD1 3.41Å; E406-L409 WeakPolarHBondContact O-CG 3.48Å; E406-L409 PolarHBondContact O-N 3.43Å; E406-L409 VanDerWaalsContact O-N 3.15Å; L409-P413 HydrophobicContact CB-CB 4.31Å; L409-P413 HydrophobicContact CD1-CB 4.42Å; L409-L414 HydrophobicContact CB-CB 4.27Å; L409-L417 HydrophobicContact CD1-CD2 4.09Å
410	N	89.8	Confident	91.2	Very high	104 Å²	104	67.5 Å²	67.5	56%	0.556	32%	0.32	S	S	*	.			trans	-61.1	156.2	170.4	-68.8	-33.7	0	0	0	110.5	R412 P413 L414	N410-R412 VanDerWaalsContact C-N 3.26Å; N410-R412 PolarHBondContact O-N 2.68Å; N410-R412 VanDerWaalsContact O-N 3.13Å; N410-P413 HydrophobicContact CB-CG 4.33Å; N410-P413 VanDerWaalsContact O-CD 3.29Å; N410-P413 WeakPolarHBondContact O-CD 3.2Å; N410-L414 VanDerWaalsContact O-CB 3.26Å; N410-L414 WeakPolarHBondContact O-CB 3.48Å; N410-L414 PolarHBondContact O-N 3.39Å
411	I	90.3	Very high	91.2	Very high	79 Å²	79	74.1 Å²	74.1	41%	0.405	35%	0.345	S	S	.	.	H	α-helix	trans	-53.4	-41	-173.9	-62	171.9	0	0	0	112.5	V384 L415	V384-I411 HydrophobicContact CB-CG2 4.41Å; V384-I411 HydrophobicContact CG2-CG2 3.93Å; I411-L415 HydrophobicContact CG2-CD1 4.33Å; I411-L415 WeakPolarHBondContact O-CB 3.42Å; I411-L415 PolarHBondContact O-N 2.99Å
412	R	89.9	Confident	91.4	Very high	171 Å²	171	68.9 Å²	68.9	65%	0.645	32%	0.32	S	S	*	.	H	α-helix	trans	-68.3	-54.9	-177.7	-75.4	179.7	-179.3	-176.4	-1.6	112.7	Y313 N410 L414 L415 R416	Y313-R412 HydrophobicContact CE1-CB 4.36Å; Y313-R412 HydrophobicContact CE1-CG 4.35Å; N410-R412 VanDerWaalsContact C-N 3.26Å; N410-R412 PolarHBondContact O-N 2.68Å; N410-R412 VanDerWaalsContact O-N 3.13Å; R412-L414 VanDerWaalsContact C-N 3.28Å; R412-L414 PolarHBondContact O-N 3.23Å; R412-L415 PolarHBondContact O-N 2.63Å; R412-R416 PolarHBondContact O-N 2.83Å; R412-R416 VanDerWaalsContact O-N 3.08Å
413	P	91.1	Very high	91.5	Very high	19 Å²	19	68.3 Å²	68.3	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-56.9	-40.1	170.9	-26.4	31.8	0	0	0	113.3	D160 L409 N410 R416 L417	D160-P413 HydrophobicContact CB-CG 3.89Å; D160-P413 WeakPolarHBondContact OD1-CG 3.26Å; L409-P413 HydrophobicContact CB-CB 4.31Å; L409-P413 HydrophobicContact CD1-CB 4.42Å; N410-P413 HydrophobicContact CB-CG 4.33Å; N410-P413 VanDerWaalsContact O-CD 3.29Å; N410-P413 WeakPolarHBondContact O-CD 3.2Å; P413-R416 PolarHBondContact O-N 3.08Å; P413-L417 WeakPolarHBondContact O-CB 3.37Å; P413-L417 PolarHBondContact O-N 3.39Å
414	L	91.8	Very high	91.5	Very high	1 Å²	1	66 Å²	66	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-43.7	178	-178	60.7	0	0	0	111.9	V383 V387 L391 L402 L409 N410 R412 L417 V418	V383-L414 HydrophobicContact CG1-CB 4.37Å; V383-L414 HydrophobicContact CG1-CD2 3.99Å; V383-L414 HydrophobicContact CG1-CG 3.92Å; V387-L414 HydrophobicContact CG1-CD2 3.88Å; V387-L414 HydrophobicContact CG2-CD2 4.34Å; L391-L414 HydrophobicContact CD2-CD2 4.12Å; L402-L414 HydrophobicContact CD1-CD1 3.79Å; L409-L414 HydrophobicContact CB-CB 4.27Å; N410-L414 VanDerWaalsContact O-CB 3.26Å; N410-L414 WeakPolarHBondContact O-CB 3.48Å; N410-L414 PolarHBondContact O-N 3.39Å; R412-L414 VanDerWaalsContact C-N 3.28Å; R412-L414 PolarHBondContact O-N 3.23Å; L414-L417 PolarHBondContact O-N 2.91Å; L414-V418 HydrophobicContact CD1-CG2 4.18Å; L414-V418 HydrophobicContact CG-CG2 4.41Å; L414-V418 WeakPolarHBondContact O-CB 3.21Å; L414-V418 VanDerWaalsContact O-CG2 3.29Å; L414-V418 WeakPolarHBondContact O-CG2 3.32Å; L414-V418 PolarHBondContact O-N 3.25Å
415	L	91.8	Very high	91.7	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-49.1	173.6	-93.6	175.8	0	0	0	111.6	Y313 L380 V383 V384 I411 R412 L417 V418 C419	Y313-L415 HydrophobicContact CD1-CB 3.57Å; Y313-L415 HydrophobicContact CD1-CD1 4.25Å; Y313-L415 HydrophobicContact CE1-CB 3.83Å; Y313-L415 HydrophobicContact CE1-CD1 3.84Å; Y313-L415 HydrophobicContact CE2-CD1 4.36Å; Y313-L415 HydrophobicContact CG-CB 4.22Å; L380-L415 HydrophobicContact CD2-CD1 4.04Å; L380-L415 HydrophobicContact CD2-CD2 3.66Å; L380-L415 HydrophobicContact CD2-CG 4.49Å; L380-L415 HydrophobicContact CG-CD2 4.31Å; V383-L415 HydrophobicContact CB-CD2 3.55Å; V383-L415 HydrophobicContact CB-CG 3.98Å; V383-L415 HydrophobicContact CG1-CB 4.35Å; V383-L415 HydrophobicContact CG1-CD2 3.71Å; V383-L415 HydrophobicContact CG1-CG 3.59Å; V383-L415 HydrophobicContact CG2-CD2 4.01Å; V384-L415 HydrophobicContact CG2-CD1 3.81Å; I411-L415 HydrophobicContact CG2-CD1 4.33Å; I411-L415 WeakPolarHBondContact O-CB 3.42Å; I411-L415 PolarHBondContact O-N 2.99Å; R412-L415 PolarHBondContact O-N 2.63Å; L415-L417 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.15Å; L415-V418 PolarHBondContact O-N 3.37Å; L415-C419 VanDerWaalsContact O-CB 3.3Å; L415-C419 WeakPolarHBondContact O-CB 3.38Å; L415-C419 PolarHBondContact O-N 3.39Å; L415-C419 PolarHBondContact O-SG 3.44Å; L415-C419 VanDerWaalsContact O-SG 3.37Å
416	R	92.3	Very high	92	Very high	28 Å²	28	55 Å²	55	11%	0.106	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-44.4	177.9	-174.8	-179.7	-176.5	85.6	-0.8	110.8	C147 E150 S311 Q312 Y313 S314 R412 P413 N420	C147-R416 PolarHBondContact SG-NH2 2.83Å; E150-R416 IonicContact OE1-CZ 3.1Å; E150-R416 IonicContact OE1-NH2 3.44Å; E150-R416 PolarHBondContact OE1-NH2 3.43Å; E150-R416 IonicContact OE2-CZ 3.83Å; E150-R416 IonicContact OE2-NE 3.94Å; E150-R416 PolarHBondContact OE2-NE 3.4Å; E150-R416 IonicContact OE2-NH2 2.74Å; E150-R416 PolarHBondContact OE2-NH2 2.92Å; S311-R416 PolarHBondContact O-NH1 2.83Å; Q312-R416 PolarHBondContact O-NH1 2.96Å; Y313-R416 HydrophobicContact CD1-CB 4.44Å; S314-R416 PolarHBondContact OG-NE 3.47Å; S314-R416 PolarHBondContact OG-NH1 2.95Å; S314-R416 PolarHBondContact OG-NH2 3Å; R412-R416 PolarHBondContact O-N 2.83Å; R412-R416 VanDerWaalsContact O-N 3.08Å; P413-R416 PolarHBondContact O-N 3.08Å; R416-N420 WeakPolarHBondContact O-CB 3.43Å; R416-N420 PolarHBondContact O-N 3.01Å
417	L	92.3	Very high	92.2	Very high	32 Å²	32	54.1 Å²	54.1	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-47.7	179.5	-177.2	64.8	0	0	0	112.5	L402 E406 L409 P413 L414 L415 C419 N420 R421	L402-L417 HydrophobicContact CD2-CD2 3.91Å; L402-L417 HydrophobicContact CD2-CG 4.07Å; E406-L417 HydrophobicContact CB-CD2 3.6Å; E406-L417 HydrophobicContact CG-CD2 3.55Å; L409-L417 HydrophobicContact CD1-CD2 4.09Å; P413-L417 WeakPolarHBondContact O-CB 3.37Å; P413-L417 PolarHBondContact O-N 3.39Å; L414-L417 PolarHBondContact O-N 2.91Å; L415-L417 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.15Å; L417-C419 VanDerWaalsContact C-N 3.35Å; L417-C419 PolarHBondContact O-N 3.06Å; L417-N420 PolarHBondContact O-N 3.29Å; L417-R421 WeakPolarHBondContact O-CG 3.44Å; L417-R421 PolarHBondContact O-N 2.75Å
418	V	93.7	Very high	92.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-47.4	177.9	169.8	0	0	0	0	110.5	I379 V383 L395 I400 L402 L414 L415 R421 F422	I379-V418 HydrophobicContact CG2-CG1 3.98Å; V383-V418 HydrophobicContact CG2-CB 4.44Å; V383-V418 HydrophobicContact CG2-CG1 4.28Å; V383-V418 HydrophobicContact CG2-CG2 4.2Å; L395-V418 HydrophobicContact CD2-CG1 3.78Å; L395-V418 HydrophobicContact CD2-CG2 4.02Å; I400-V418 HydrophobicContact CD1-CG1 4.28Å; L402-V418 HydrophobicContact CD1-CG2 3.86Å; L414-V418 HydrophobicContact CD1-CG2 4.18Å; L414-V418 HydrophobicContact CG-CG2 4.41Å; L414-V418 WeakPolarHBondContact O-CB 3.21Å; L414-V418 VanDerWaalsContact O-CG2 3.29Å; L414-V418 WeakPolarHBondContact O-CG2 3.32Å; L414-V418 PolarHBondContact O-N 3.25Å; L415-V418 PolarHBondContact O-N 3.37Å; V418-R421 PolarHBondContact O-N 3.36Å; V418-F422 WeakPolarHBondContact O-CB 3.2Å; V418-F422 PolarHBondContact O-N 3.37Å
419	C	94.1	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-41.5	178.6	-72.5	0	0	0	0	112	Y313 I315 L415 L417 R421 F422 F423	Y313-C419 WeakPolarHBondContact O-CB 3.21Å; I315-C419 HydrophobicContact CD1-CB 4.34Å; I315-C419 HydrophobicContact CG1-CB 3.72Å; L415-C419 VanDerWaalsContact O-CB 3.3Å; L415-C419 WeakPolarHBondContact O-CB 3.38Å; L415-C419 PolarHBondContact O-N 3.39Å; L415-C419 PolarHBondContact O-SG 3.44Å; L415-C419 VanDerWaalsContact O-SG 3.37Å; L417-C419 VanDerWaalsContact C-N 3.35Å; L417-C419 PolarHBondContact O-N 3.06Å; C419-R421 VanDerWaalsContact C-N 3.32Å; C419-R421 PolarHBondContact O-N 3.32Å; C419-F422 PolarHBondContact O-N 2.79Å; C419-F423 HydrophobicContact CB-CD2 4.15Å; C419-F423 HydrophobicContact CB-CE2 4.44Å; C419-F423 WeakPolarHBondContact O-CB 3.34Å; C419-F423 WeakPolarHBondContact O-CD2 3.35Å; C419-F423 PolarHBondContact O-N 3.32Å
420	N	92.5	Very high	93.3	Very high	65 Å²	65	40.7 Å²	40.7	35%	0.348	19%	0.194	S	C	.	.	H	α-helix	trans	-60.1	-41.2	174.9	-171	7.4	0	0	0	111.6	R416 L417 G424	R416-N420 WeakPolarHBondContact O-CB 3.43Å; R416-N420 PolarHBondContact O-N 3.01Å; L417-N420 PolarHBondContact O-N 3.29Å; N420-G424 WeakPolarHBondContact O-CA 3.43Å; N420-G424 PolarHBondContact O-N 3.25Å
421	R	93	Very high	93.6	Very high	148 Å²	148	36.4 Å²	36.4	56%	0.558	17%	0.171	S	C	*	.	H	α-helix	trans	-69.3	-32.5	175.6	-64.7	-67.7	-171	165	3.7	113.4	I400 L402 E406 L417 V418 C419	I400-R421 HydrophobicContact CG1-CB 4.38Å; I400-R421 HydrophobicContact CG2-CB 3.72Å; I400-R421 HydrophobicContact CG2-CG 4.23Å; L402-R421 HydrophobicContact CD2-CG 4.4Å; E406-R421 IonicContact OE1-NH2 3.41Å; L417-R421 WeakPolarHBondContact O-CG 3.44Å; L417-R421 PolarHBondContact O-N 2.75Å; V418-R421 PolarHBondContact O-N 3.36Å; C419-R421 VanDerWaalsContact C-N 3.32Å; C419-R421 PolarHBondContact O-N 3.32Å
422	F	94.5	Very high	93.9	Very high	31 Å²	31	32.7 Å²	32.7	14%	0.136	15%	0.152	C	C	.	.	H	α-helix	trans	-78.3	-51.3	-178.8	-177.7	-109.3	0	0	0	112.8	I325 I379 L398 I400 V418 C419	I325-F422 HydrophobicContact CD1-CE1 4.44Å; I325-F422 HydrophobicContact CG2-CE2 4.25Å; I325-F422 HydrophobicContact CG2-CZ 4.11Å; I379-F422 HydrophobicContact CD1-CD1 3.83Å; I379-F422 HydrophobicContact CD1-CD2 4.38Å; I379-F422 HydrophobicContact CD1-CE1 3.77Å; I379-F422 HydrophobicContact CD1-CE2 4.34Å; I379-F422 HydrophobicContact CD1-CG 4.14Å; I379-F422 HydrophobicContact CD1-CZ 4.03Å; L398-F422 HydrophobicContact CB-CD2 4.35Å; L398-F422 HydrophobicContact CD1-CD2 4.45Å; L398-F422 HydrophobicContact CD2-CD2 4.36Å; L398-F422 HydrophobicContact CD2-CE2 3.82Å; I400-F422 HydrophobicContact CD1-CB 3.72Å; I400-F422 HydrophobicContact CD1-CD2 4.11Å; I400-F422 HydrophobicContact CD1-CG 4.35Å; V418-F422 WeakPolarHBondContact O-CB 3.2Å; V418-F422 PolarHBondContact O-N 3.37Å; C419-F422 PolarHBondContact O-N 2.79Å
423	F	93.9	Very high	94.3	Very high	18 Å²	18	24.6 Å²	24.6	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-82.1	-29.5	-178.2	-69.3	-75.4	0	0	0	112.1	I315 F317 F322 I325 L376 C419	I315-F423 HydrophobicContact CB-CD2 4.29Å; I315-F423 HydrophobicContact CB-CE2 4.18Å; I315-F423 HydrophobicContact CD1-CE2 4.29Å; I315-F423 HydrophobicContact CG1-CD2 4.02Å; I315-F423 HydrophobicContact CG1-CE2 3.79Å; I315-F423 HydrophobicContact CG2-CD2 4.04Å; I315-F423 HydrophobicContact CG2-CE1 4.22Å; I315-F423 HydrophobicContact CG2-CE2 3.65Å; I315-F423 HydrophobicContact CG2-CZ 3.76Å; F317-F423 HydrophobicContact CB-CD1 4.49Å; F317-F423 HydrophobicContact CB-CE1 4.46Å; F317-F423 HydrophobicContact CD1-CD1 4.34Å; F317-F423 AromaticContact CD1-CE1 3.71Å; F317-F423 HydrophobicContact CD1-CE1 3.71Å; F317-F423 HydrophobicContact CD1-CZ 4.25Å; F317-F423 HydrophobicContact CE1-CE1 4.35Å; F317-F423 HydrophobicContact CG-CE1 4.33Å; F322-F423 AromaticContact CD2-CE1 3.88Å; F322-F423 HydrophobicContact CD2-CE1 3.88Å; F322-F423 AromaticContact CE2-CE1 3.65Å; F322-F423 HydrophobicContact CE2-CE1 3.65Å; F322-F423 HydrophobicContact CE2-CZ 4.12Å; I325-F423 HydrophobicContact CD1-CD1 3.9Å; I325-F423 HydrophobicContact CD1-CE1 4.4Å; L376-F423 HydrophobicContact CD1-CE2 4.34Å; L376-F423 HydrophobicContact CD1-CZ 4.09Å; C419-F423 HydrophobicContact CB-CD2 4.15Å; C419-F423 HydrophobicContact CB-CE2 4.44Å; C419-F423 WeakPolarHBondContact O-CB 3.34Å; C419-F423 WeakPolarHBondContact O-CD2 3.35Å; C419-F423 PolarHBondContact O-N 3.32Å
424	G	92.3	Very high	94.5	Very high	29 Å²	29	24.6 Å²	24.6	30%	0.299	12%	0.121	S	C	.	.			trans	68.2	-136.4	-176.5	0	0	0	0	0	112.1	N420	N420-G424 WeakPolarHBondContact O-CA 3.43Å; N420-G424 PolarHBondContact O-N 3.25Å
425	E	93.9	Very high	94.7	Very high	100 Å²	100	30.5 Å²	30.5	47%	0.467	15%	0.148	S	C	.	.	S	Bend	trans	-71.1	153.4	-179.9	-65.4	175.1	173.2	0	0	112.6	Q151 P190 T427	Q151-E425 HydrophobicContact CG-CB 4.48Å; Q151-E425 HydrophobicContact CG-CG 4.08Å; P190-E425 WeakPolarHBondContact CG-OE2 3.34Å; E425-T427 HydrophobicContact CB-CG2 4.08Å; E425-T427 PolarHBondContact O-N 3.2Å
426	F	96.3	Very high	94.9	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.022	16%	0.162	C	C	.	.			trans	-77	42.5	-178.2	-78.6	29	0	0	0	113	F144 C147 L148 C316 G428 F429 V430	F144-F426 AromaticContact CD2-CE2 3.98Å; F144-F426 HydrophobicContact CD2-CE2 3.98Å; F144-F426 HydrophobicContact CE1-CD2 4.27Å; F144-F426 AromaticContact CE2-CD2 3.81Å; F144-F426 HydrophobicContact CE2-CD2 3.81Å; F144-F426 AromaticContact CE2-CE2 3.63Å; F144-F426 HydrophobicContact CE2-CE2 3.63Å; F144-F426 AromaticContact CZ-CD2 3.67Å; F144-F426 HydrophobicContact CZ-CD2 3.67Å; F144-F426 AromaticContact CZ-CE2 3.97Å; F144-F426 HydrophobicContact CZ-CE2 3.97Å; C147-F426 HydrophobicContact CB-CD2 4.38Å; C147-F426 HydrophobicContact CB-CE1 4.22Å; C147-F426 HydrophobicContact CB-CE2 3.46Å; C147-F426 VanDerWaalsContact CB-CE2 3.46Å; C147-F426 HydrophobicContact CB-CZ 3.38Å; L148-F426 HydrophobicContact CD2-CB 3.75Å; L148-F426 HydrophobicContact CD2-CD2 3.73Å; L148-F426 HydrophobicContact CD2-CG 4.04Å; L148-F426 HydrophobicContact CG-CD2 4.42Å; C316-F426 HydrophobicContact CB-CB 4.3Å; C316-F426 HydrophobicContact CB-CD1 3.81Å; C316-F426 HydrophobicContact CB-CD2 3.56Å; C316-F426 HydrophobicContact CB-CE1 3.92Å; C316-F426 HydrophobicContact CB-CE2 3.68Å; C316-F426 HydrophobicContact CB-CG 3.62Å; C316-F426 HydrophobicContact CB-CZ 3.84Å; F426-G428 PolarHBondContact O-N 2.89Å; F426-F429 WeakPolarHBondContact O-CB 3.11Å; F426-F429 PolarHBondContact O-N 2.77Å; F426-F429 VanDerWaalsContact O-N 3.08Å; F426-V430 PolarHBondContact O-N 3.05Å
427	T	96	Very high	95.1	Very high	21 Å²	21	32.1 Å²	32.1	13%	0.129	16%	0.157	C	C	.	.	H	α-helix	trans	-56.8	-32.1	-179.9	52.9	0	0	0	0	113.1	E425 F429 V430 D431	E425-T427 HydrophobicContact CB-CG2 4.08Å; E425-T427 PolarHBondContact O-N 3.2Å; T427-F429 VanDerWaalsContact C-N 3.35Å; T427-F429 PolarHBondContact O-N 2.82Å; T427-V430 PolarHBondContact O-N 3.13Å; T427-D431 WeakPolarHBondContact O-CB 3.38Å; T427-D431 PolarHBondContact O-N 3.29Å
428	G	95	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-37.6	176.6	0	0	0	0	0	113.5	T318 F426 M432	T318-G428 WeakPolarHBondContact CG2-O 3.24Å; F426-G428 PolarHBondContact O-N 2.89Å; G428-M432 WeakPolarHBondContact O-CB 3.27Å; G428-M432 PolarHBondContact O-N 3.11Å; G428-M432 VanDerWaalsContact O-N 3.15Å
429	F	97.4	Very high	95.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.5	-44.2	173.7	168.6	-99.5	0	0	0	111	L133 F144 L148 L189 F199 I201 V225 F426 T427 M432 C433	L133-F429 HydrophobicContact CD2-CE2 4.18Å; L133-F429 HydrophobicContact CD2-CZ 4.08Å; F144-F429 HydrophobicContact CE1-CD1 4.3Å; F144-F429 AromaticContact CE1-CD2 3.75Å; F144-F429 HydrophobicContact CE1-CD2 3.75Å; F144-F429 HydrophobicContact CE1-CE1 4.48Å; F144-F429 AromaticContact CE1-CE2 3.94Å; F144-F429 HydrophobicContact CE1-CE2 3.94Å; F144-F429 AromaticContact CE1-CG 3.94Å; F144-F429 HydrophobicContact CE1-CG 3.94Å; F144-F429 HydrophobicContact CE1-CZ 4.31Å; F144-F429 HydrophobicContact CZ-CB 3.97Å; F144-F429 AromaticContact CZ-CD2 3.74Å; F144-F429 HydrophobicContact CZ-CD2 3.74Å; F144-F429 HydrophobicContact CZ-CE2 4.37Å; F144-F429 AromaticContact CZ-CG 3.84Å; F144-F429 HydrophobicContact CZ-CG 3.84Å; L148-F429 HydrophobicContact CD1-CE1 4.16Å; L189-F429 HydrophobicContact CD1-CE1 4.41Å; F199-F429 HydrophobicContact CD1-CE1 4.14Å; F199-F429 AromaticContact CE1-CE1 3.98Å; F199-F429 HydrophobicContact CE1-CE1 3.98Å; I201-F429 HydrophobicContact CD1-CE1 4.22Å; I201-F429 HydrophobicContact CD1-CZ 4.47Å; V225-F429 HydrophobicContact CB-CE2 4.45Å; V225-F429 HydrophobicContact CG1-CE2 4.16Å; V225-F429 HydrophobicContact CG2-CE2 3.86Å; V225-F429 HydrophobicContact CG2-CZ 4.45Å; F426-F429 WeakPolarHBondContact O-CB 3.11Å; F426-F429 PolarHBondContact O-N 2.77Å; F426-F429 VanDerWaalsContact O-N 3.08Å; T427-F429 VanDerWaalsContact C-N 3.35Å; T427-F429 PolarHBondContact O-N 2.82Å; F429-M432 HydrophobicContact CD2-CE 3.9Å; F429-M432 HydrophobicContact CE2-CE 4.29Å; F429-M432 WeakPolarHBondContact O-CB 3.24Å; F429-M432 PolarHBondContact O-N 2.84Å; F429-C433 PolarHBondContact O-N 2.83Å; F429-C433 PolarHBondContact O-SG 2.65Å
430	V	97.6	Very high	95.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-47.8	178.2	179.2	0	0	0	0	111	L189 P190 D191 F199 F426 T427 M432 C433 V434	L189-V430 HydrophobicContact CB-CG2 3.6Å; L189-V430 HydrophobicContact CD1-CG2 4.11Å; L189-V430 HydrophobicContact CG-CG2 4.45Å; P190-V430 WeakPolarHBondContact O-CG2 3.48Å; D191-V430 HydrophobicContact CB-CG1 3.86Å; F199-V430 HydrophobicContact CE2-CB 4.47Å; F199-V430 HydrophobicContact CE2-CG1 3.77Å; F199-V430 HydrophobicContact CE2-CG2 4.39Å; F199-V430 HydrophobicContact CZ-CB 4.32Å; F199-V430 HydrophobicContact CZ-CG1 3.95Å; F199-V430 HydrophobicContact CZ-CG2 4.42Å; F426-V430 PolarHBondContact O-N 3.05Å; T427-V430 PolarHBondContact O-N 3.13Å; V430-M432 VanDerWaalsContact C-N 3.32Å; V430-M432 PolarHBondContact O-N 3.42Å; V430-C433 PolarHBondContact O-N 2.84Å; V430-V434 HydrophobicContact CG1-CG2 4.05Å; V430-V434 WeakPolarHBondContact O-CB 3.39Å; V430-V434 VanDerWaalsContact O-CG2 3.25Å; V430-V434 WeakPolarHBondContact O-CG2 3.21Å; V430-V434 PolarHBondContact O-N 2.92Å
431	D	96.2	Very high	95.6	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.08	16%	0.159	C	C	.	.	H	α-helix	trans	-58.6	-43.9	177.4	-70.5	-21.9	0	0	0	111.9	S192 T427 Q435	S192-D431 WeakPolarHBondContact CB-OD1 3.36Å; S192-D431 WeakPolarHBondContact CB-OD2 3.48Å; S192-D431 PolarHBondContact N-OD1 3.29Å; S192-D431 PolarHBondContact OG-OD2 2.69Å; T427-D431 WeakPolarHBondContact O-CB 3.38Å; T427-D431 PolarHBondContact O-N 3.29Å; D431-Q435 VanDerWaalsContact O-CB 3.27Å; D431-Q435 WeakPolarHBondContact O-CB 3.5Å; D431-Q435 WeakPolarHBondContact O-CG 3.29Å; D431-Q435 PolarHBondContact O-N 3.25Å
432	M	97.1	Very high	95.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-51.2	178	174.7	-177.1	78.5	0	0	110.8	V225 T253 G304 C307 T318 G428 F429 V430 H436	V225-M432 HydrophobicContact CG1-CE 3.87Å; V225-M432 HydrophobicContact CG2-CE 4.07Å; T253-M432 HydrophobicContact CG2-CG 4.03Å; G304-M432 WeakPolarHBondContact O-CB 3.29Å; G304-M432 VanDerWaalsContact O-CG 3.3Å; G304-M432 WeakPolarHBondContact O-CG 3.44Å; C307-M432 HydrophobicContact CB-CE 4.49Å; C307-M432 HydrophobicContact CB-SD 3.84Å; T318-M432 HydrophobicContact CG2-CB 4.29Å; G428-M432 WeakPolarHBondContact O-CB 3.27Å; G428-M432 PolarHBondContact O-N 3.11Å; G428-M432 VanDerWaalsContact O-N 3.15Å; F429-M432 HydrophobicContact CD2-CE 3.9Å; F429-M432 HydrophobicContact CE2-CE 4.29Å; F429-M432 WeakPolarHBondContact O-CB 3.24Å; F429-M432 PolarHBondContact O-N 2.84Å; V430-M432 VanDerWaalsContact C-N 3.32Å; V430-M432 PolarHBondContact O-N 3.42Å; M432-H436 WeakPolarHBondContact O-CB 3.46Å; M432-H436 PolarHBondContact O-CD2 2.62Å; M432-H436 PolarHBondContact O-N 3.22Å; M432-H436 VanDerWaalsContact O-N 3.08Å
433	C	97	Very high	95.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-43.7	-179.7	-68	0	0	0	0	111.8	F199 F429 V430 Q435 I437	F199-C433 HydrophobicContact CE1-CB 3.48Å; F199-C433 VanDerWaalsContact CE1-CB 3.48Å; F199-C433 HydrophobicContact CZ-CB 3.75Å; F429-C433 PolarHBondContact O-N 2.83Å; F429-C433 PolarHBondContact O-SG 2.65Å; V430-C433 PolarHBondContact O-N 2.84Å; C433-Q435 VanDerWaalsContact C-N 3.31Å; C433-Q435 PolarHBondContact O-N 2.95Å; C433-I437 HydrophobicContact CB-CD1 4.08Å; C433-I437 WeakPolarHBondContact O-CA 3.29Å; C433-I437 WeakPolarHBondContact O-CB 3.3Å; C433-I437 PolarHBondContact O-N 3.14Å
434	V	96.6	Very high	95.6	Very high	20 Å²	20	29.9 Å²	29.9	12%	0.121	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-36.2	-178.6	170.2	0	0	0	0	112.1	R129 Y197 F199 V430	R129-V434 HydrophobicContact CG-CG2 4.46Å; R129-V434 PolarHBondContact NH2-O 3.06Å; R129-V434 VanDerWaalsContact NH2-O 3.15Å; Y197-V434 HydrophobicContact CD1-CG2 3.92Å; Y197-V434 HydrophobicContact CD2-CG2 3.85Å; Y197-V434 HydrophobicContact CE1-CG1 3.85Å; Y197-V434 HydrophobicContact CE1-CG2 4.07Å; Y197-V434 HydrophobicContact CE2-CG1 4.14Å; Y197-V434 HydrophobicContact CE2-CG2 4.02Å; Y197-V434 HydrophobicContact CG-CG2 3.81Å; F199-V434 HydrophobicContact CE2-CG2 4.31Å; F199-V434 HydrophobicContact CZ-CG2 4.15Å; V430-V434 HydrophobicContact CG1-CG2 4.05Å; V430-V434 WeakPolarHBondContact O-CB 3.39Å; V430-V434 VanDerWaalsContact O-CG2 3.25Å; V430-V434 WeakPolarHBondContact O-CG2 3.21Å; V430-V434 PolarHBondContact O-N 2.92Å
435	Q	95.2	Very high	95.7	Very high	124 Å²	124	34.9 Å²	34.9	58%	0.579	17%	0.169	S	C	*	.	H	α-helix	trans	-81.5	-33.2	-177.9	-69.4	171.2	26.8	0	0	113.9	D431 C433	D431-Q435 VanDerWaalsContact O-CB 3.27Å; D431-Q435 WeakPolarHBondContact O-CB 3.5Å; D431-Q435 WeakPolarHBondContact O-CG 3.29Å; D431-Q435 PolarHBondContact O-N 3.25Å; C433-Q435 VanDerWaalsContact C-N 3.31Å; C433-Q435 PolarHBondContact O-N 2.95Å
436	H	96	Very high	95.7	Very high	61 Å²	61	34.4 Å²	34.4	28%	0.282	17%	0.169	S	C	.	.	H	α-helix	trans	-115.3	-20.3	-169.9	-65.8	-79.3	0	0	0	114.5	A251 T253 L303 N305 M432	A251-H436 WeakPolarHBondContact CB-O 3.14Å; T253-H436 HydrophobicContact CG2-CB 3.68Å; L303-H436 PolarHBondContact O-CE1 3.32Å; L303-H436 PolarHBondContact O-NE2 3.02Å; N305-H436 HydrophobicContact CB-CB 4.31Å; N305-H436 PolarHBondContact N-NE2 2.84Å; M432-H436 WeakPolarHBondContact O-CB 3.46Å; M432-H436 PolarHBondContact O-CD2 2.62Å; M432-H436 PolarHBondContact O-N 3.22Å; M432-H436 VanDerWaalsContact O-N 3.08Å
437	I	96.2	Very high	95.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	-96.1	122.3	171.8	-59.4	178.4	0	0	0	107.5	R129 V131 D222 V225 T253 C433	R129-I437 WeakPolarHBondContact CD-O 3.45Å; R129-I437 PolarHBondContact NE-O 2.88Å; V131-I437 HydrophobicContact CB-CD1 4.31Å; V131-I437 HydrophobicContact CG1-CD1 3.8Å; V131-I437 HydrophobicContact CG2-CD1 3.67Å; V131-I437 HydrophobicContact CG2-CG2 4.48Å; D222-I437 HydrophobicContact CB-CG2 4.34Å; V225-I437 HydrophobicContact CG2-CD1 4.21Å; T253-I437 HydrophobicContact CG2-CG1 4.18Å; C433-I437 HydrophobicContact CB-CD1 4.08Å; C433-I437 WeakPolarHBondContact O-CA 3.29Å; C433-I437 WeakPolarHBondContact O-CB 3.3Å; C433-I437 PolarHBondContact O-N 3.14Å
438	P	96.3	Very high	95.5	Very high	32 Å²	32	33.8 Å²	33.8	21%	0.208	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-62.6	151.6	179.9	26.3	-33.1	0	0	0	110.5	D222 E442	D222-P438 HydrophobicContact CB-CG 4.35Å; P438-E442 HydrophobicContact CB-CB 3.88Å
439	S	97.1	Very high	95.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.014	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-63.8	159.3	166.5	69.8	0	0	0	0	110	Q441 E442 G443	S439-Q441 PolarHBondContact O-N 3Å; S439-Q441 VanDerWaalsContact O-N 3.12Å; S439-E442 PolarHBondContact N-OE2 3.44Å; S439-E442 PolarHBondContact O-N 3.29Å; S439-E442 WeakPolarHBondContact OG-CG 3.26Å; S439-E442 PolarHBondContact OG-N 3.15Å; S439-G443 PolarHBondContact O-N 3.39Å
440	P	95.4	Very high	95.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-49.5	-36.6	172.3	-32.8	37.3	0	0	0	113.7	T125 I128 N130 A444	T125-P440 WeakPolarHBondContact O-CD 3.18Å; I128-P440 HydrophobicContact CB-CG 3.93Å; I128-P440 HydrophobicContact CG2-CG 3.95Å; I128-P440 WeakPolarHBondContact O-CD 3.26Å; N130-P440 WeakPolarHBondContact ND2-CG 3.13Å; P440-A444 WeakPolarHBondContact O-CA 3.44Å; P440-A444 WeakPolarHBondContact O-CB 3.11Å; P440-A444 PolarHBondContact O-N 2.65Å
441	Q	94.6	Very high	94.9	Very high	74 Å²	74	38.5 Å²	38.5	35%	0.346	19%	0.188	S	C	.	.	H	α-helix	trans	-69.8	-42.9	178	-170.2	175.6	22.8	0	0	112.7	S439 C467	S439-Q441 PolarHBondContact O-N 3Å; S439-Q441 VanDerWaalsContact O-N 3.12Å; Q441-C467 HydrophobicContact CB-CB 4.5Å
442	E	94.8	Very high	94.8	Very high	135 Å²	135	38 Å²	38	63%	0.631	19%	0.185	S	C	*	.	H	α-helix	trans	-72.4	-37.6	177.2	-69.2	173.2	168	0	0	112.1	P438 S439	P438-E442 HydrophobicContact CB-CB 3.88Å; S439-E442 PolarHBondContact N-OE2 3.44Å; S439-E442 PolarHBondContact O-N 3.29Å; S439-E442 WeakPolarHBondContact OG-CG 3.26Å; S439-E442 PolarHBondContact OG-N 3.15Å
443	G	93.4	Very high	94.5	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	20%	0.201	C	C	.	.	H	α-helix	trans	-81.4	-21.3	-176.4	0	0	0	0	0	114.4	S439 K445 I446 K447	S439-G443 PolarHBondContact O-N 3.39Å; G443-K445 VanDerWaalsContact C-N 3.35Å; G443-K445 PolarHBondContact O-N 2.96Å; G443-I446 PolarHBondContact O-N 3.37Å; G443-K447 PolarHBondContact O-N 2.83Å
444	A	94.3	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-53.3	-48	-175.5	0	0	0	0	0	112.5	P440 I446 K447 I448 M464 A465 C467	P440-A444 WeakPolarHBondContact O-CA 3.44Å; P440-A444 WeakPolarHBondContact O-CB 3.11Å; P440-A444 PolarHBondContact O-N 2.65Å; A444-I446 PolarHBondContact O-N 3.38Å; A444-K447 WeakPolarHBondContact O-CB 3.23Å; A444-K447 PolarHBondContact O-N 2.88Å; A444-K447 VanDerWaalsContact O-N 3.12Å; A444-I448 VanDerWaalsContact O-CG1 3.28Å; A444-I448 WeakPolarHBondContact O-CG1 3.08Å; A444-I448 PolarHBondContact O-N 3.06Å; A444-M464 WeakPolarHBondContact CB-O 3.48Å; A444-A465 WeakPolarHBondContact CB-O 3.46Å; A444-C467 HydrophobicContact CB-CB 4.26Å
445	K	94.1	Very high	93.1	Very high	133 Å²	133	42 Å²	42	58%	0.578	22%	0.22	S	C	*	.	H	α-helix	trans	-56.7	-45.8	-178.7	-175.6	173.3	-176.3	167.8	0	113.4	G443 K447 D449 L456 A465	G443-K445 VanDerWaalsContact C-N 3.35Å; G443-K445 PolarHBondContact O-N 2.96Å; K445-K447 VanDerWaalsContact C-N 3.34Å; K445-D449 WeakPolarHBondContact O-CB 3.37Å; K445-D449 PolarHBondContact O-N 2.84Å; K445-L456 HydrophobicContact CG-CD1 4.25Å; K445-L456 HydrophobicContact CG-CD2 4.4Å; K445-A465 HydrophobicContact CB-CB 4.39Å
446	I	92.4	Very high	92.6	Very high	91 Å²	91	38.1 Å²	38.1	47%	0.467	20%	0.203	S	C	.	.	H	α-helix	trans	-67.9	-40.1	179.6	-63.3	172.6	0	0	0	109.9	R249 G443 A444 H450	R249-I446 HydrophobicContact CB-CG2 3.86Å; G443-I446 PolarHBondContact O-N 3.37Å; A444-I446 PolarHBondContact O-N 3.38Å; I446-H450 PolarHBondContact O-N 2.83Å
447	K	94.1	Very high	91.9	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-54.1	179.1	-176.1	66.6	65.9	173.1	0	111.3	M218 R219 S221 M250 G443 A444 K445 D449 H450 T451	M218-K447 PolarHBondContact O-NZ 3.47Å; M218-K447 VanDerWaalsContact O-NZ 3.1Å; R219-K447 WeakPolarHBondContact O-CD 3.43Å; R219-K447 PolarHBondContact O-NZ 2.92Å; R219-K447 VanDerWaalsContact O-NZ 3.15Å; S221-K447 WeakPolarHBondContact O-CE 3.14Å; S221-K447 PolarHBondContact O-NZ 3.28Å; M250-K447 PolarHBondContact SD-NZ 2.88Å; G443-K447 PolarHBondContact O-N 2.83Å; A444-K447 WeakPolarHBondContact O-CB 3.23Å; A444-K447 PolarHBondContact O-N 2.88Å; A444-K447 VanDerWaalsContact O-N 3.12Å; K445-K447 VanDerWaalsContact C-N 3.34Å; K447-D449 VanDerWaalsContact C-N 3.35Å; K447-D449 PolarHBondContact O-N 2.86Å; K447-H450 PolarHBondContact O-N 2.84Å; K447-T451 HydrophobicContact CD-CG2 3.66Å; K447-T451 HydrophobicContact CG-CG2 4.26Å; K447-T451 WeakPolarHBondContact O-CG2 3.3Å; K447-T451 PolarHBondContact O-N 2.86Å; K447-T451 PolarHBondContact O-OG1 2.8Å
448	I	94.4	Very high	91.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-40.4	-176.9	-61.9	-57.8	0	0	0	111.5	A444 H450 T451 Y452 L456 M464 L496 F576	A444-I448 VanDerWaalsContact O-CG1 3.28Å; A444-I448 WeakPolarHBondContact O-CG1 3.08Å; A444-I448 PolarHBondContact O-N 3.06Å; I448-H450 PolarHBondContact O-N 2.81Å; I448-T451 PolarHBondContact O-N 2.92Å; I448-Y452 HydrophobicContact CG2-CD1 4.33Å; I448-Y452 HydrophobicContact CG2-CG 4.37Å; I448-Y452 VanDerWaalsContact O-CB 3.29Å; I448-Y452 WeakPolarHBondContact O-CB 3.49Å; I448-Y452 PolarHBondContact O-N 2.94Å; I448-L456 HydrophobicContact CB-CD2 4.05Å; I448-L456 HydrophobicContact CG2-CD2 3.84Å; I448-M464 HydrophobicContact CD1-CB 3.78Å; I448-M464 HydrophobicContact CD1-CE 4.44Å; I448-M464 HydrophobicContact CD1-CG 4.38Å; I448-M464 HydrophobicContact CD1-SD 3.88Å; I448-M464 HydrophobicContact CG1-CB 3.83Å; I448-M464 HydrophobicContact CG2-CE 4.25Å; I448-L496 HydrophobicContact CD1-CD1 4.07Å; I448-L496 HydrophobicContact CD1-CD2 4.2Å; I448-F576 HydrophobicContact CD1-CE1 3.89Å; I448-F576 HydrophobicContact CD1-CZ 4.43Å
449	D	92.3	Very high	90.8	Very high	70 Å²	70	50.2 Å²	50.2	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-56.2	-37	174.1	-173.9	56.1	0	0	0	112.7	R249 K445 K447 L456	R249-D449 IonicContact CZ-OD2 2.87Å; R249-D449 IonicContact NH1-OD2 3.33Å; R249-D449 PolarHBondContact NH1-OD2 3.04Å; R249-D449 IonicContact NH2-OD2 2.71Å; K445-D449 WeakPolarHBondContact O-CB 3.37Å; K445-D449 PolarHBondContact O-N 2.84Å; K447-D449 VanDerWaalsContact C-N 3.35Å; K447-D449 PolarHBondContact O-N 2.86Å; D449-L456 HydrophobicContact CB-CD1 3.78Å; D449-L456 HydrophobicContact CB-CG 4.12Å
450	H	91.2	Very high	90.4	Very high	29 Å²	29	50.9 Å²	50.9	13%	0.134	27%	0.274	C	S	.	.	H	α-helix	trans	-84.8	-39.4	-178.4	-170.4	64.3	0	0	0	113.1	Q247 E248 I446 K447 I448 R577	Q247-H450 PolarHBondContact O-CE1 2.96Å; E248-H450 IonicContact OE1-NE2 2.57Å; E248-H450 IonicContact OE2-CD2 3.28Å; E248-H450 IonicContact OE2-NE2 2.92Å; I446-H450 PolarHBondContact O-N 2.83Å; K447-H450 PolarHBondContact O-N 2.84Å; I448-H450 PolarHBondContact O-N 2.81Å; H450-R577 WeakPolarHBondContact O-CD 3.37Å; H450-R577 PolarHBondContact O-NH1 3.17Å
451	T	93.6	Very high	90.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-101.5	-27.5	-166.5	65.1	0	0	0	0	114.1	K447 I448 F576 R577	K447-T451 HydrophobicContact CD-CG2 3.66Å; K447-T451 HydrophobicContact CG-CG2 4.26Å; K447-T451 WeakPolarHBondContact O-CG2 3.3Å; K447-T451 PolarHBondContact O-N 2.86Å; K447-T451 PolarHBondContact O-OG1 2.8Å; I448-T451 PolarHBondContact O-N 2.92Å; T451-F576 CarbonylContact O-C 3.48Å; T451-F576 WeakPolarHBondContact O-CA 3.48Å; T451-R577 WeakPolarHBondContact O-CG 3.21Å; T451-R577 PolarHBondContact O-N 3.48Å
452	Y	94.5	Very high	89.9	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.012	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-88.5	138.4	-175.6	-171.7	-124.2	0	0	0	111.5	I448 G454 M464 M474 Q574 F576	I448-Y452 HydrophobicContact CG2-CD1 4.33Å; I448-Y452 HydrophobicContact CG2-CG 4.37Å; I448-Y452 VanDerWaalsContact O-CB 3.29Å; I448-Y452 WeakPolarHBondContact O-CB 3.49Å; I448-Y452 PolarHBondContact O-N 2.94Å; Y452-G454 VanDerWaalsContact CE1-CA 3.44Å; Y452-M464 HydrophobicContact CD1-CE 3.71Å; Y452-M464 HydrophobicContact CD2-CE 3.91Å; Y452-M464 HydrophobicContact CE1-CE 3.69Å; Y452-M464 HydrophobicContact CE2-CE 3.89Å; Y452-M464 HydrophobicContact CG-CE 3.83Å; Y452-M474 HydrophobicContact CE2-CE 3.96Å; Y452-Q574 HydrophobicContact CE2-CB 4.16Å; Y452-Q574 WeakPolarHBondContact CE2-O 3.45Å; Y452-Q574 PolarHBondContact OH-N 3.02Å; Y452-Q574 VanDerWaalsContact OH-N 3.12Å; Y452-F576 AromaticContact CD2-CD1 4Å; Y452-F576 HydrophobicContact CD2-CD1 4Å; Y452-F576 AromaticContact CD2-CE1 3.78Å; Y452-F576 HydrophobicContact CD2-CE1 3.78Å; Y452-F576 HydrophobicContact CD2-CZ 4.21Å; Y452-F576 HydrophobicContact CG-CE1 4.24Å
453	T	90.1	Very high	89.6	Confident	56 Å²	56	47.7 Å²	47.7	34%	0.344	26%	0.262	S	S	.	.	S	Bend	trans	-79.4	-29.9	179.5	60.6	0	0	0	0	113	G455 Q574 I575 R577	T453-G455 PolarHBondContact O-N 2.87Å; T453-Q574 PolarHBondContact O-OE1 2.86Å; T453-Q574 WeakPolarHBondContact OG1-CB 3.4Å; T453-Q574 PolarHBondContact OG1-OE1 3.22Å; T453-I575 HydrophobicContact CG2-CG1 4.15Å; T453-I575 WeakPolarHBondContact CG2-O 3.14Å; T453-I575 PolarHBondContact N-O 3.28Å; T453-I575 VanDerWaalsContact N-O 3.17Å; T453-I575 PolarHBondContact OG1-O 2.74Å; T453-R577 HydrophobicContact CG2-CG 3.78Å
454	G	83	Confident	89.7	Confident	22 Å²	22	47.4 Å²	47.4	23%	0.227	26%	0.259	C	S	.	.	S	Bend	trans	-75.3	-6.5	-177.1	0	0	0	0	0	115.1	Y452 Q574	Y452-G454 VanDerWaalsContact CE1-CA 3.44Å; G454-Q574 VanDerWaalsContact CA-CD 3.44Å; G454-Q574 VanDerWaalsContact CA-OE1 3.25Å; G454-Q574 VanDerWaalsContact N-OE1 3.08Å
455	G	82.4	Confident	89.7	Confident	28 Å²	28	48.5 Å²	48.5	29%	0.289	27%	0.268	S	S	.	.			trans	72.8	167.9	179.6	0	0	0	0	0	114.4	T453 D457 S458	T453-G455 PolarHBondContact O-N 2.87Å; G455-D457 VanDerWaalsContact C-N 3.31Å; G455-D457 PolarHBondContact O-N 2.85Å; G455-S458 PolarHBondContact O-OG 2.75Å
456	L	84.7	Confident	89.6	Confident	43 Å²	43	47.6 Å²	47.6	23%	0.225	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.6	-179.4	-74.7	173.9	0	0	0	113.8	K445 I448 D449 S458 A465	K445-L456 HydrophobicContact CG-CD1 4.25Å; K445-L456 HydrophobicContact CG-CD2 4.4Å; I448-L456 HydrophobicContact CB-CD2 4.05Å; I448-L456 HydrophobicContact CG2-CD2 3.84Å; D449-L456 HydrophobicContact CB-CD1 3.78Å; D449-L456 HydrophobicContact CB-CG 4.12Å; L456-S458 PolarHBondContact O-N 2.77Å; L456-A465 HydrophobicContact CD2-CB 4.33Å
457	D	81.8	Confident	89.7	Confident	170 Å²	170	43.3 Å²	43.3	91%	0.909	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-5	-174.4	-59.4	-36.5	0	0	0	113.3	G455	G455-D457 VanDerWaalsContact C-N 3.31Å; G455-D457 PolarHBondContact O-N 2.85Å
458	S	85	Confident	89.7	Confident	33 Å²	33	45.7 Å²	45.7	23%	0.231	26%	0.257	C	S	.	.	S	Bend	trans	-82.8	150.8	176.4	62.5	0	0	0	0	111.3	G455 L456 L460 G461 E462	G455-S458 PolarHBondContact O-OG 2.75Å; L456-S458 PolarHBondContact O-N 2.77Å; S458-L460 PolarHBondContact O-N 2.97Å; S458-G461 VanDerWaalsContact O-CA 3.31Å; S458-G461 WeakPolarHBondContact O-CA 3.43Å; S458-G461 PolarHBondContact O-N 2.95Å; S458-G461 PolarHBondContact OG-N 2.91Å; S458-E462 PolarHBondContact O-N 3.2Å
459	D	83.4	Confident	89.6	Confident	145 Å²	145	47.2 Å²	47.2	78%	0.775	27%	0.267	S	S	*	.	H	α-helix	trans	-55.5	-37.3	176.7	-66.4	-7.9	0	0	0	111.6	A463	D459-A463 PolarHBondContact O-N 2.95Å; D459-A463 VanDerWaalsContact O-N 3.17Å
460	L	88.1	Confident	89.7	Confident	17 Å²	17	51 Å²	51	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-37.1	172.7	-69.5	173.8	0	0	0	112.5	S458 M464 P472 N570 A573	S458-L460 PolarHBondContact O-N 2.97Å; L460-M464 HydrophobicContact CB-CE 4.27Å; L460-M464 WeakPolarHBondContact O-CB 3.49Å; L460-M464 VanDerWaalsContact O-CE 3.3Å; L460-M464 WeakPolarHBondContact O-CE 3.47Å; L460-M464 VanDerWaalsContact O-CG 3.25Å; L460-M464 WeakPolarHBondContact O-CG 3.35Å; L460-M464 PolarHBondContact O-N 2.82Å; L460-P472 HydrophobicContact CD2-CB 3.85Å; L460-P472 HydrophobicContact CD2-CG 3.61Å; L460-N570 HydrophobicContact CD1-CB 4.47Å; L460-A573 HydrophobicContact CD1-CB 3.94Å
461	G	89.9	Confident	89.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-42.2	176.5	0	0	0	0	0	112.5	S458 A465	S458-G461 VanDerWaalsContact O-CA 3.31Å; S458-G461 WeakPolarHBondContact O-CA 3.43Å; S458-G461 PolarHBondContact O-N 2.95Å; S458-G461 PolarHBondContact OG-N 2.91Å; G461-A465 VanDerWaalsContact O-CB 3.27Å; G461-A465 WeakPolarHBondContact O-CB 3.43Å; G461-A465 PolarHBondContact O-N 2.98Å
462	E	90.1	Very high	89.7	Confident	123 Å²	123	51.9 Å²	51.9	58%	0.575	30%	0.299	S	S	*	.	H	α-helix	trans	-67.1	-48.2	176.1	-171	167.9	-157.3	0	0	111.3	S458 M464 A465 E466	S458-E462 PolarHBondContact O-N 3.2Å; E462-M464 VanDerWaalsContact C-N 3.34Å; E462-M464 PolarHBondContact O-N 2.98Å; E462-A465 WeakPolarHBondContact O-CB 3.49Å; E462-A465 PolarHBondContact O-N 2.71Å; E462-E466 PolarHBondContact O-N 3.14Å
463	A	89.8	Confident	89.7	Confident	18 Å²	18	51.7 Å²	51.7	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-42.3	177.2	0	0	0	0	0	112.8	D459 A465 E466 C467 P472	D459-A463 PolarHBondContact O-N 2.95Å; D459-A463 VanDerWaalsContact O-N 3.17Å; A463-A465 VanDerWaalsContact C-N 3.35Å; A463-E466 PolarHBondContact O-N 3.18Å; A463-C467 PolarHBondContact O-N 3.01Å; A463-P472 HydrophobicContact CB-CG 3.97Å
464	M	94.2	Very high	90	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-33.5	174.2	-72.3	-173.9	-71.2	0	0	112.7	A444 I448 Y452 L460 E462 E466 C467 M474 L496 F576	A444-M464 WeakPolarHBondContact CB-O 3.48Å; I448-M464 HydrophobicContact CD1-CB 3.78Å; I448-M464 HydrophobicContact CD1-CE 4.44Å; I448-M464 HydrophobicContact CD1-CG 4.38Å; I448-M464 HydrophobicContact CD1-SD 3.88Å; I448-M464 HydrophobicContact CG1-CB 3.83Å; I448-M464 HydrophobicContact CG2-CE 4.25Å; Y452-M464 HydrophobicContact CD1-CE 3.71Å; Y452-M464 HydrophobicContact CD2-CE 3.91Å; Y452-M464 HydrophobicContact CE1-CE 3.69Å; Y452-M464 HydrophobicContact CE2-CE 3.89Å; Y452-M464 HydrophobicContact CG-CE 3.83Å; L460-M464 HydrophobicContact CB-CE 4.27Å; L460-M464 WeakPolarHBondContact O-CB 3.49Å; L460-M464 VanDerWaalsContact O-CE 3.3Å; L460-M464 WeakPolarHBondContact O-CE 3.47Å; L460-M464 VanDerWaalsContact O-CG 3.25Å; L460-M464 WeakPolarHBondContact O-CG 3.35Å; L460-M464 PolarHBondContact O-N 2.82Å; E462-M464 VanDerWaalsContact C-N 3.34Å; E462-M464 PolarHBondContact O-N 2.98Å; M464-E466 VanDerWaalsContact C-N 3.33Å; M464-C467 PolarHBondContact O-N 3.21Å; M464-M474 HydrophobicContact CE-CE 4.4Å; M464-M474 HydrophobicContact CG-CB 4.08Å; M464-M474 HydrophobicContact CG-CG 4.21Å; M464-M474 HydrophobicContact SD-CB 3.77Å; M464-M474 HydrophobicContact SD-CE 4.09Å; M464-M474 HydrophobicContact SD-CG 3.9Å; M464-L496 HydrophobicContact CG-CB 4.44Å; M464-F576 HydrophobicContact SD-CE1 4.18Å; M464-F576 HydrophobicContact SD-CZ 3.66Å
465	A	93.9	Very high	90.7	Very high	23 Å²	23	48 Å²	48	19%	0.19	27%	0.271	C	S	.	.	H	α-helix	trans	-70.5	-29.4	177.7	0	0	0	0	0	112.7	A444 K445 L456 G461 E462 A463 C467	A444-A465 WeakPolarHBondContact CB-O 3.46Å; K445-A465 HydrophobicContact CB-CB 4.39Å; L456-A465 HydrophobicContact CD2-CB 4.33Å; G461-A465 VanDerWaalsContact O-CB 3.27Å; G461-A465 WeakPolarHBondContact O-CB 3.43Å; G461-A465 PolarHBondContact O-N 2.98Å; E462-A465 WeakPolarHBondContact O-CB 3.49Å; E462-A465 PolarHBondContact O-N 2.71Å; A463-A465 VanDerWaalsContact C-N 3.35Å; A465-C467 VanDerWaalsContact C-N 3.31Å
466	E	93.4	Very high	91.4	Very high	115 Å²	115	46.9 Å²	46.9	54%	0.537	26%	0.258	S	S	.	.	H	α-helix	trans	-79	-16	172.6	-66.2	-170.5	158.4	0	0	113	E462 A463 M464 D468	E462-E466 PolarHBondContact O-N 3.14Å; A463-E466 PolarHBondContact O-N 3.18Å; M464-E466 VanDerWaalsContact C-N 3.33Å; E466-D468 VanDerWaalsContact C-N 3.28Å; E466-D468 PolarHBondContact O-N 3.2Å
467	C	94.6	Very high	92	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	42.4	-177.8	-167.7	0	0	0	0	111.8	Q441 A444 A463 M464 A465 P469	Q441-C467 HydrophobicContact CB-CB 4.5Å; A444-C467 HydrophobicContact CB-CB 4.26Å; A463-C467 PolarHBondContact O-N 3.01Å; M464-C467 PolarHBondContact O-N 3.21Å; A465-C467 VanDerWaalsContact C-N 3.31Å; C467-P469 WeakPolarHBondContact O-CD 3.3Å
468	D	92.5	Very high	92.7	Very high	61 Å²	61	36.8 Å²	36.8	33%	0.326	21%	0.205	S	C	.	.			trans	-75.7	119.7	-175.4	-175.9	7.1	0	0	0	111.9	E466 D470 G471 G498	E466-D468 VanDerWaalsContact C-N 3.28Å; E466-D468 PolarHBondContact O-N 3.2Å; D468-D470 PolarHBondContact O-N 3Å; D468-D470 PolarHBondContact OD1-N 2.95Å; D468-G471 PolarHBondContact O-N 3.12Å; D468-G498 PolarHBondContact O-N 3.47Å
469	P	93.9	Very high	93.3	Very high	32 Å²	32	35.4 Å²	35.4	21%	0.208	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.3	175	-22.1	34.9	0	0	0	115.1	T125 C467 G498 T499 P544 A545	T125-P469 HydrophobicContact CG2-CG 4.21Å; C467-P469 WeakPolarHBondContact O-CD 3.3Å; P469-G498 CarbonylContact O-C 3.59Å; P469-G498 WeakPolarHBondContact O-CA 3.18Å; P469-T499 PolarHBondContact O-N 3.22Å; P469-T499 PolarHBondContact O-OG1 2.99Å; P469-P544 HydrophobicContact CB-CB 3.96Å; P469-P544 HydrophobicContact CG-CB 4.4Å; P469-A545 HydrophobicContact CG-CB 4.39Å
470	D	93.4	Very high	93.9	Very high	149 Å²	149	28.6 Å²	28.6	80%	0.797	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	1.4	179.4	-68.1	-40.9	0	0	0	112.6	D468	D468-D470 PolarHBondContact O-N 3Å; D468-D470 PolarHBondContact OD1-N 2.95Å
471	G	91.1	Very high	94.2	Very high	16 Å²	16	29.4 Å²	29.4	17%	0.165	16%	0.16	C	C	.	.	S	Bend	trans	-76	-177.2	176.9	0	0	0	0	0	114.3	D468 L473 G498	D468-G471 PolarHBondContact O-N 3.12Å; G471-L473 PolarHBondContact O-N 3.3Å; G471-G498 WeakPolarHBondContact O-CA 3.35Å
472	P	93.3	Very high	94.4	Very high	34 Å²	34	30.7 Å²	30.7	22%	0.221	17%	0.169	C	C	.	.			trans	-61.4	132.6	175.4	24.8	-32.2	0	0	0	110.6	L460 A463 M474 S497	L460-P472 HydrophobicContact CD2-CB 3.85Å; L460-P472 HydrophobicContact CD2-CG 3.61Å; A463-P472 HydrophobicContact CB-CG 3.97Å; P472-M474 PolarHBondContact O-N 3.01Å; P472-M474 VanDerWaalsContact O-N 3.17Å; P472-S497 CarbonylContact O-C 3.49Å; P472-S497 VanDerWaalsContact O-C 3.31Å; P472-S497 WeakPolarHBondContact O-CB 3.45Å; P472-S497 PolarHBondContact O-OG 2.87Å
473	L	95.8	Very high	94.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.			trans	-62.1	120.4	179.3	178.2	64.6	0	0	0	110.9	G471 V495 S497 I500 V506 T565 E566	G471-L473 PolarHBondContact O-N 3.3Å; L473-V495 HydrophobicContact CD1-CG1 4.11Å; L473-S497 WeakPolarHBondContact CA-O 3.47Å; L473-I500 HydrophobicContact CD1-CB 4.02Å; L473-I500 HydrophobicContact CD2-CB 4.46Å; L473-I500 HydrophobicContact CD2-CG1 4.44Å; L473-V506 HydrophobicContact CD2-CG1 4.02Å; L473-T565 WeakPolarHBondContact O-CA 3.42Å; L473-T565 PolarHBondContact O-OG1 2.98Å; L473-E566 HydrophobicContact CB-CG 3.54Å; L473-E566 PolarHBondContact N-OE1 2.71Å
474	M	96.3	Very high	94.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	117.1	169.3	-70	-66.1	-72.1	0	0	108.7	Y452 M464 P472 L496 S497 T563 I564 T565 A573 F576	Y452-M474 HydrophobicContact CE2-CE 3.96Å; M464-M474 HydrophobicContact CE-CE 4.4Å; M464-M474 HydrophobicContact CG-CB 4.08Å; M464-M474 HydrophobicContact CG-CG 4.21Å; M464-M474 HydrophobicContact SD-CB 3.77Å; M464-M474 HydrophobicContact SD-CE 4.09Å; M464-M474 HydrophobicContact SD-CG 3.9Å; P472-M474 PolarHBondContact O-N 3.01Å; P472-M474 VanDerWaalsContact O-N 3.17Å; M474-L496 PolarHBondContact O-N 2.88Å; M474-S497 PolarHBondContact N-O 3.41Å; M474-S497 PolarHBondContact O-N 3.06Å; M474-T563 HydrophobicContact CE-CG2 3.65Å; M474-T563 HydrophobicContact SD-CG2 4.47Å; M474-I564 WeakPolarHBondContact CA-O 3.28Å; M474-T565 PolarHBondContact SD-OG1 2.82Å; M474-T565 VanDerWaalsContact SD-OG1 3.41Å; M474-A573 HydrophobicContact SD-CB 4.42Å; M474-F576 HydrophobicContact CE-CE2 4.27Å; M474-F576 HydrophobicContact CE-CZ 4.37Å
475	C	97	Very high	93.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.9	176.5	172.8	0	0	0	0	110.1	R494 V495 T563 I564	C475-R494 CarbonylContact C-O 3.03Å; C475-R494 VanDerWaalsContact CA-O 3.32Å; C475-R494 WeakPolarHBondContact CA-O 3.39Å; C475-R494 PolarHBondContact SG-O 3.42Å; C475-R494 VanDerWaalsContact SG-O 3.4Å; C475-V495 HydrophobicContact CB-CG2 4.46Å; C475-T563 CarbonylContact O-C 3.54Å; C475-T563 WeakPolarHBondContact O-CA 3.49Å; C475-I564 HydrophobicContact CB-CB 4.12Å; C475-I564 PolarHBondContact N-O 2.88Å; C475-I564 PolarHBondContact O-N 3.16Å
476	H	97.6	Very high	93.4	Very high	4 Å²	4	30 Å²	30	2%	0.019	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.6	176.7	-175.1	25.9	0	0	0	110.3	R219 T478 G493 R494 L496 A562 F576	R219-H476 WeakPolarHBondContact CG-NE2 3.28Å; H476-T478 WeakPolarHBondContact NE2-CG2 3.21Å; H476-G493 CarbonylContact O-C 2.74Å; H476-G493 WeakPolarHBondContact O-CA 3.17Å; H476-R494 PolarHBondContact N-O 3.34Å; H476-R494 PolarHBondContact O-N 3.24Å; H476-L496 HydrophobicContact CB-CD1 4.01Å; H476-A562 PolarHBondContact ND1-O 3.35Å; H476-F576 HydrophobicContact CB-CD2 3.49Å; H476-F576 VanDerWaalsContact CB-CD2 3.49Å; H476-F576 HydrophobicContact CB-CE2 3.71Å; H476-F576 HydrophobicContact CB-CG 4.12Å; H476-F576 HydrophobicContact CB-CZ 4.48Å; H476-F576 AromaticContact CG-CD2 3.54Å; H476-F576 AromaticContact CG-CG 3.8Å; H476-F576 AromaticContact ND1-CD2 3.74Å
477	T	97.3	Very high	93.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134	175.5	62.6	0	0	0	0	110.6	A491 F492 I551 T561 A562 I564	T477-A491 HydrophobicContact CG2-CB 4.03Å; T477-F492 WeakPolarHBondContact CA-O 3.47Å; T477-I551 HydrophobicContact CG2-CD1 4.28Å; T477-T561 WeakPolarHBondContact O-CA 3.21Å; T477-T561 WeakPolarHBondContact O-CB 3.37Å; T477-A562 PolarHBondContact N-O 2.82Å; T477-A562 PolarHBondContact O-N 3.11Å; T477-A562 VanDerWaalsContact O-N 3.1Å; T477-A562 PolarHBondContact OG1-N 3.15Å; T477-A562 PolarHBondContact OG1-O 2.88Å; T477-A562 VanDerWaalsContact OG1-O 3.07Å; T477-I564 HydrophobicContact CG2-CD1 3.63Å; T477-I564 HydrophobicContact CG2-CG1 4.26Å
478	T	96.4	Very high	92.9	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	-16	-174.7	56.3	0	0	0	0	113.8	S216 R219 I220 H476 F492 T561 L579	S216-T478 PolarHBondContact O-OG1 3.48Å; R219-T478 HydrophobicContact CB-CG2 4.17Å; R219-T478 HydrophobicContact CG-CG2 3.96Å; I220-T478 HydrophobicContact CG2-CG2 3.77Å; I220-T478 WeakPolarHBondContact CG2-OG1 3.43Å; H476-T478 WeakPolarHBondContact NE2-CG2 3.21Å; T478-F492 PolarHBondContact N-O 3.29Å; T478-T561 HydrophobicContact CG2-CG2 4.47Å; T478-L579 HydrophobicContact CG2-CD2 4.27Å
479	K	96.2	Very high	93	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.017	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143	-176.8	-83.7	-68.5	-63	172.9	0	110.2	E213 S216 Y481 F492 S612 P614	E213-K479 IonicContact OE1-NZ 3.9Å; E213-K479 PolarHBondContact OE1-NZ 2.71Å; E213-K479 WeakPolarHBondContact OE2-CD 3.19Å; E213-K479 WeakPolarHBondContact OE2-CE 3.4Å; E213-K479 IonicContact OE2-NZ 2.69Å; E213-K479 PolarHBondContact OE2-NZ 3.47Å; S216-K479 WeakPolarHBondContact OG-CD 3.46Å; S216-K479 WeakPolarHBondContact OG-CG 3.22Å; K479-Y481 HydrophobicContact CB-CE2 4.17Å; K479-F492 HydrophobicContact CB-CB 4.11Å; K479-F492 HydrophobicContact CB-CD1 4.31Å; K479-F492 PolarHBondContact N-O 3.21Å; K479-F492 WeakPolarHBondContact O-CA 3.28Å; K479-F492 WeakPolarHBondContact O-CB 3.46Å; K479-F492 PolarHBondContact O-N 3.38Å; K479-S612 PolarHBondContact NZ-O 3.16Å; K479-S612 VanDerWaalsContact NZ-O 3.12Å; K479-P614 HydrophobicContact CD-CG 4.07Å
480	M	96.1	Very high	93.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.6	172.8	-55.4	-59.3	-72.5	0	0	108.2	F489 A491 D555 I558 K611	M480-F489 HydrophobicContact CB-CB 4.38Å; M480-F489 HydrophobicContact CB-CD1 3.79Å; M480-F489 HydrophobicContact CB-CG 4.44Å; M480-F489 HydrophobicContact CE-CB 3.98Å; M480-A491 HydrophobicContact CE-CB 3.98Å; M480-A491 HydrophobicContact SD-CB 3.78Å; M480-D555 HydrophobicContact CE-CB 3.53Å; M480-I558 HydrophobicContact CE-CB 4.11Å; M480-I558 HydrophobicContact CE-CG2 4.25Å; M480-I558 HydrophobicContact CG-CG2 4.43Å; M480-I558 HydrophobicContact SD-CB 4.21Å; M480-I558 HydrophobicContact SD-CD1 4.47Å; M480-I558 HydrophobicContact SD-CG2 3.7Å; M480-K611 HydrophobicContact CB-CB 4.17Å; M480-K611 WeakPolarHBondContact CB-O 3.37Å; M480-K611 HydrophobicContact CG-CB 4.2Å
481	Y	95.8	Very high	93.3	Very high	33 Å²	33	22.1 Å²	22.1	13%	0.129	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.6	175	-69.2	-69.1	0	0	0	110	S182 P184 K479 F489 H490 F492 L550	S182-Y481 WeakPolarHBondContact O-CE1 3.41Å; S182-Y481 VanDerWaalsContact O-CZ 3.32Å; S182-Y481 PolarHBondContact O-OH 2.78Å; S182-Y481 PolarHBondContact OG-OH 3.16Å; P184-Y481 WeakPolarHBondContact CD-OH 3.46Å; P184-Y481 HydrophobicContact CG-CE2 4.14Å; K479-Y481 HydrophobicContact CB-CE2 4.17Å; Y481-F489 CarbonylContact O-C 3.56Å; Y481-F489 VanDerWaalsContact O-CA 3.29Å; Y481-F489 WeakPolarHBondContact O-CA 3.41Å; Y481-H490 PolarHBondContact N-O 2.52Å; Y481-H490 PolarHBondContact O-N 3.33Å; Y481-F492 HydrophobicContact CD2-CB 3.66Å; Y481-F492 HydrophobicContact CD2-CG 4.1Å; Y481-F492 HydrophobicContact CE2-CB 3.53Å; Y481-F492 AromaticContact CE2-CD1 3.86Å; Y481-F492 HydrophobicContact CE2-CD1 3.86Å; Y481-F492 HydrophobicContact CE2-CD2 4.13Å; Y481-F492 AromaticContact CE2-CG 3.57Å; Y481-F492 HydrophobicContact CE2-CG 3.57Å; Y481-L550 HydrophobicContact CD2-CD2 3.65Å; Y481-L550 HydrophobicContact CE2-CD2 4.4Å
482	S	93.9	Very high	93.6	Very high	27 Å²	27	21.5 Å²	21.5	19%	0.189	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.4	173.2	-174.4	0	0	0	0	110.1	G486	S482-G486 WeakPolarHBondContact OG-CA 3.44Å
483	T	90.3	Very high	93.8	Very high	22 Å²	22	19.9 Å²	19.9	14%	0.135	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-68.1	165.3	166.5	50.2	0	0	0	0	111.4	D485 G486 Q488 H490	T483-D485 VanDerWaalsContact CB-OD1 3.3Å; T483-D485 WeakPolarHBondContact CB-OD1 3.31Å; T483-D485 PolarHBondContact O-N 3.16Å; T483-D485 VanDerWaalsContact O-N 3.15Å; T483-D485 PolarHBondContact OG1-OD1 3.27Å; T483-G486 PolarHBondContact O-N 3.35Å; T483-Q488 HydrophobicContact CG2-CB 3.95Å; T483-Q488 PolarHBondContact N-O 3.12Å; T483-Q488 PolarHBondContact OG1-N 2.75Å; T483-Q488 PolarHBondContact OG1-O 3.41Å; T483-H490 VanDerWaalsContact CG2-CE1 3.46Å; T483-H490 WeakPolarHBondContact CG2-CE1 3.07Å; T483-H490 WeakPolarHBondContact CG2-NE2 3.2Å
484	E	86.1	Confident	93.9	Very high	59 Å²	59	20 Å²	20	28%	0.276	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.1	-176.8	-57.1	179.6	-161.1	0	0	114	F101 T102 M104	F101-E484 VanDerWaalsContact CD2-O 3.29Å; F101-E484 WeakPolarHBondContact CD2-O 3.5Å; F101-E484 PolarHBondContact N-O 3.08Å; T102-E484 WeakPolarHBondContact OG1-CG 3.36Å; M104-E484 HydrophobicContact CB-CG 4.05Å; M104-E484 WeakPolarHBondContact CB-OE1 3.34Å; M104-E484 HydrophobicContact CG-CG 3.73Å; M104-E484 WeakPolarHBondContact CG-OE1 3.48Å
485	D	85.7	Confident	94	Very high	66 Å²	66	20 Å²	20	35%	0.353	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-9	-178.6	66.6	-17.8	0	0	0	113.7	T483 V487	T483-D485 VanDerWaalsContact CB-OD1 3.3Å; T483-D485 WeakPolarHBondContact CB-OD1 3.31Å; T483-D485 PolarHBondContact O-N 3.16Å; T483-D485 VanDerWaalsContact O-N 3.15Å; T483-D485 PolarHBondContact OG1-OD1 3.27Å; D485-V487 VanDerWaalsContact C-N 3.3Å; D485-V487 HydrophobicContact CB-CG2 4.39Å; D485-V487 PolarHBondContact O-N 3.05Å; D485-V487 PolarHBondContact OD1-N 2.75Å; D485-V487 WeakPolarHBondContact OD2-CG2 3.08Å
486	G	85.1	Confident	94	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	11%	0.107	C	C	.	.	S	Bend	trans	76.7	9.5	179.4	0	0	0	0	0	115.1	S482 T483 Y647	S482-G486 WeakPolarHBondContact OG-CA 3.44Å; T483-G486 PolarHBondContact O-N 3.35Å; G486-Y647 WeakPolarHBondContact O-CD1 3.26Å
487	V	87.2	Confident	93.9	Very high	85 Å²	85	20.1 Å²	20.1	52%	0.515	11%	0.106	S	C	.	.	S	Bend	trans	-95.2	-48.3	-172.9	-178.9	0	0	0	0	111.9	D485	D485-V487 VanDerWaalsContact C-N 3.3Å; D485-V487 HydrophobicContact CB-CG2 4.39Å; D485-V487 PolarHBondContact O-N 3.05Å; D485-V487 PolarHBondContact OD1-N 2.75Å; D485-V487 WeakPolarHBondContact OD2-CG2 3.08Å
488	Q	89.6	Confident	93.8	Very high	92 Å²	92	20.1 Å²	20.1	43%	0.43	11%	0.106	S	C	.	.			trans	-106.2	158.8	-175.4	-65	-179.7	-12.7	0	0	110.8	T483	T483-Q488 HydrophobicContact CG2-CB 3.95Å; T483-Q488 PolarHBondContact N-O 3.12Å; T483-Q488 PolarHBondContact OG1-N 2.75Å; T483-Q488 PolarHBondContact OG1-O 3.41Å
489	F	95.1	Very high	93.8	Very high	4 Å²	4	21 Å²	21	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.9	171	-71.8	-101.1	0	0	0	110.2	M480 Y481 D555 K608 K611 Y647	M480-F489 HydrophobicContact CB-CB 4.38Å; M480-F489 HydrophobicContact CB-CD1 3.79Å; M480-F489 HydrophobicContact CB-CG 4.44Å; M480-F489 HydrophobicContact CE-CB 3.98Å; Y481-F489 CarbonylContact O-C 3.56Å; Y481-F489 VanDerWaalsContact O-CA 3.29Å; Y481-F489 WeakPolarHBondContact O-CA 3.41Å; F489-D555 HydrophobicContact CB-CB 3.88Å; F489-D555 WeakPolarHBondContact O-CB 3.36Å; F489-K608 HydrophobicContact CE2-CB 3.89Å; F489-K608 HydrophobicContact CE2-CD 4.24Å; F489-K608 HydrophobicContact CE2-CG 3.74Å; F489-K608 HydrophobicContact CZ-CB 3.85Å; F489-K608 HydrophobicContact CZ-CG 4.24Å; F489-K611 HydrophobicContact CD1-CB 4.49Å; F489-K611 HydrophobicContact CE1-CB 4.34Å; F489-Y647 HydrophobicContact CE2-CE1 4.22Å; F489-Y647 AromaticContact CZ-CE1 3.64Å; F489-Y647 HydrophobicContact CZ-CE1 3.64Å; F489-Y647 AromaticContact CZ-CZ 3.74Å
490	H	96.3	Very high	93.8	Very high	13 Å²	13	20.8 Å²	20.8	6%	0.06	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.1	168.3	-61.2	-19.5	0	0	0	108.1	Y481 T483 F492 W530 L550 I551	Y481-H490 PolarHBondContact N-O 2.52Å; Y481-H490 PolarHBondContact O-N 3.33Å; T483-H490 VanDerWaalsContact CG2-CE1 3.46Å; T483-H490 WeakPolarHBondContact CG2-CE1 3.07Å; T483-H490 WeakPolarHBondContact CG2-NE2 3.2Å; H490-F492 PolarHBondContact O-N 2.94Å; H490-W530 AromaticContact CD2-CZ3 3.66Å; H490-W530 AromaticContact CE1-CH2 3.61Å; H490-W530 AromaticContact CE1-CZ3 3.76Å; H490-W530 AromaticContact CG-CZ3 3.81Å; H490-W530 AromaticContact ND1-CZ3 3.87Å; H490-W530 AromaticContact NE2-CH2 3.53Å; H490-W530 AromaticContact NE2-CZ3 3.64Å; H490-L550 HydrophobicContact CB-CB 4.39Å; H490-L550 HydrophobicContact CB-CD2 4Å; H490-I551 WeakPolarHBondContact CA-O 3.38Å
491	A	97.1	Very high	93.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.8	176.7	0	0	0	0	0	108.7	T477 M480 L550 I551 I558	T477-A491 HydrophobicContact CG2-CB 4.03Å; M480-A491 HydrophobicContact CE-CB 3.98Å; M480-A491 HydrophobicContact SD-CB 3.78Å; A491-L550 CarbonylContact O-C 3.59Å; A491-L550 WeakPolarHBondContact O-CA 3.4Å; A491-I551 HydrophobicContact CB-CB 4.42Å; A491-I551 PolarHBondContact N-O 2.83Å; A491-I551 PolarHBondContact O-N 2.88Å; A491-I558 HydrophobicContact CB-CD1 3.87Å
492	F	98.1	Very high	93.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.4	179.8	-174.2	-104.7	0	0	0	110.7	P184 M202 I220 T477 T478 K479 Y481 H490 W548 V549 L550	P184-F492 HydrophobicContact CB-CE1 4.15Å; P184-F492 HydrophobicContact CB-CE2 3.94Å; P184-F492 HydrophobicContact CB-CZ 3.47Å; P184-F492 VanDerWaalsContact CB-CZ 3.47Å; P184-F492 HydrophobicContact CG-CD2 4.37Å; P184-F492 HydrophobicContact CG-CE1 4.25Å; P184-F492 HydrophobicContact CG-CE2 3.77Å; P184-F492 HydrophobicContact CG-CZ 3.69Å; M202-F492 HydrophobicContact CE-CD1 4.08Å; M202-F492 HydrophobicContact CE-CE1 3.25Å; M202-F492 HydrophobicContact CE-CZ 3.86Å; I220-F492 HydrophobicContact CD1-CD1 3.98Å; I220-F492 HydrophobicContact CD1-CE1 3.39Å; I220-F492 HydrophobicContact CD1-CZ 4.39Å; T477-F492 WeakPolarHBondContact CA-O 3.47Å; T478-F492 PolarHBondContact N-O 3.29Å; K479-F492 HydrophobicContact CB-CB 4.11Å; K479-F492 HydrophobicContact CB-CD1 4.31Å; K479-F492 PolarHBondContact N-O 3.21Å; K479-F492 WeakPolarHBondContact O-CA 3.28Å; K479-F492 WeakPolarHBondContact O-CB 3.46Å; K479-F492 PolarHBondContact O-N 3.38Å; Y481-F492 HydrophobicContact CD2-CB 3.66Å; Y481-F492 HydrophobicContact CD2-CG 4.1Å; Y481-F492 HydrophobicContact CE2-CB 3.53Å; Y481-F492 AromaticContact CE2-CD1 3.86Å; Y481-F492 HydrophobicContact CE2-CD1 3.86Å; Y481-F492 HydrophobicContact CE2-CD2 4.13Å; Y481-F492 AromaticContact CE2-CG 3.57Å; Y481-F492 HydrophobicContact CE2-CG 3.57Å; H490-F492 PolarHBondContact O-N 2.94Å; F492-W548 HydrophobicContact CE1-CD2 4.33Å; F492-W548 HydrophobicContact CE1-CE3 4.22Å; F492-W548 HydrophobicContact CE2-CB 3.94Å; F492-W548 HydrophobicContact CZ-CB 3.65Å; F492-W548 AromaticContact CZ-CD2 3.89Å; F492-W548 HydrophobicContact CZ-CD2 3.89Å; F492-W548 AromaticContact CZ-CE3 3.64Å; F492-W548 HydrophobicContact CZ-CE3 3.64Å; F492-W548 AromaticContact CZ-CG 3.95Å; F492-W548 HydrophobicContact CZ-CG 3.95Å; F492-V549 WeakPolarHBondContact CA-O 3.16Å; F492-V549 WeakPolarHBondContact CD2-O 3.21Å; F492-L550 HydrophobicContact CB-CD2 3.84Å; F492-L550 HydrophobicContact CD2-CD2 3.57Å; F492-L550 HydrophobicContact CD2-CG 3.87Å; F492-L550 HydrophobicContact CG-CD2 4.13Å
493	G	97.1	Very high	94	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	-175.7	-174.6	0	0	0	0	0	113.7	H476 W548 V549	H476-G493 CarbonylContact O-C 2.74Å; H476-G493 WeakPolarHBondContact O-CA 3.17Å; G493-W548 CarbonylContact O-C 3.59Å; G493-W548 VanDerWaalsContact O-CA 3.28Å; G493-W548 WeakPolarHBondContact O-CA 3.25Å; G493-V549 PolarHBondContact N-O 3.37Å; G493-V549 VanDerWaalsContact N-O 3.11Å; G493-V549 PolarHBondContact O-N 3.19Å
494	R	97.9	Very high	94.2	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.9	175.6	174.4	173.3	167.8	-175.9	-1.1	110.4	I220 D222 C475 H476 L496 N547	I220-R494 HydrophobicContact CB-CB 4.22Å; I220-R494 HydrophobicContact CG2-CB 4.35Å; I220-R494 WeakPolarHBondContact O-CD 3.36Å; I220-R494 PolarHBondContact O-NH1 3.37Å; I220-R494 VanDerWaalsContact O-NH1 3.13Å; D222-R494 IonicContact OD1-CZ 2.83Å; D222-R494 IonicContact OD1-NH1 2.73Å; D222-R494 PolarHBondContact OD1-NH1 2.87Å; D222-R494 IonicContact OD1-NH2 2.78Å; D222-R494 PolarHBondContact OD1-NH2 3Å; D222-R494 IonicContact OD2-CZ 3.36Å; D222-R494 IonicContact OD2-NH1 2.72Å; D222-R494 PolarHBondContact OD2-NH1 3.18Å; D222-R494 IonicContact OD2-NH2 3.06Å; D222-R494 PolarHBondContact OD2-NH2 2.74Å; C475-R494 CarbonylContact C-O 3.03Å; C475-R494 VanDerWaalsContact CA-O 3.32Å; C475-R494 WeakPolarHBondContact CA-O 3.39Å; C475-R494 PolarHBondContact SG-O 3.42Å; C475-R494 VanDerWaalsContact SG-O 3.4Å; H476-R494 PolarHBondContact N-O 3.34Å; H476-R494 PolarHBondContact O-N 3.24Å; R494-L496 HydrophobicContact CG-CD2 4.37Å; R494-L496 HydrophobicContact CG-CG 4.43Å; R494-L496 PolarHBondContact O-N 3.22Å; R494-N547 WeakPolarHBondContact CA-O 3.47Å
495	V	98.1	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.6	167.5	-170.7	0	0	0	0	107.7	L473 C475 S497 G498 I500 V543 A545 G546 N547 V549	L473-V495 HydrophobicContact CD1-CG1 4.11Å; C475-V495 HydrophobicContact CB-CG2 4.46Å; V495-S497 WeakPolarHBondContact CG1-O 3.32Å; V495-G498 WeakPolarHBondContact CG1-O 3.25Å; V495-I500 HydrophobicContact CG2-CG2 3.92Å; V495-V543 HydrophobicContact CG2-CG1 4.24Å; V495-A545 HydrophobicContact CG1-CB 4.45Å; V495-G546 PolarHBondContact O-N 3.27Å; V495-N547 PolarHBondContact N-O 2.98Å; V495-V549 HydrophobicContact CG2-CG1 3.95Å
496	L	96.6	Very high	95.2	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-29.8	-177.8	-72.6	160.8	0	0	0	112.1	I448 M464 M474 H476 R494 F576	I448-L496 HydrophobicContact CD1-CD1 4.07Å; I448-L496 HydrophobicContact CD1-CD2 4.2Å; M464-L496 HydrophobicContact CG-CB 4.44Å; M474-L496 PolarHBondContact O-N 2.88Å; H476-L496 HydrophobicContact CB-CD1 4.01Å; R494-L496 HydrophobicContact CG-CD2 4.37Å; R494-L496 HydrophobicContact CG-CG 4.43Å; R494-L496 PolarHBondContact O-N 3.22Å; L496-F576 HydrophobicContact CD1-CD1 4.46Å; L496-F576 HydrophobicContact CD1-CE1 3.57Å; L496-F576 HydrophobicContact CD1-CE2 3.76Å; L496-F576 HydrophobicContact CD1-CZ 3.16Å
497	S	95.6	Very high	95.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	152.3	174	173.1	0	0	0	0	109.1	P472 L473 M474 V495	P472-S497 CarbonylContact O-C 3.49Å; P472-S497 VanDerWaalsContact O-C 3.31Å; P472-S497 WeakPolarHBondContact O-CB 3.45Å; P472-S497 PolarHBondContact O-OG 2.87Å; L473-S497 WeakPolarHBondContact CA-O 3.47Å; M474-S497 PolarHBondContact N-O 3.41Å; M474-S497 PolarHBondContact O-N 3.06Å; V495-S497 WeakPolarHBondContact CG1-O 3.32Å
498	G	95.4	Very high	96.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	71.4	-165.9	-178.6	0	0	0	0	0	113.7	D468 P469 G471 V495 A545	D468-G498 PolarHBondContact O-N 3.47Å; P469-G498 CarbonylContact O-C 3.59Å; P469-G498 WeakPolarHBondContact O-CA 3.18Å; G471-G498 WeakPolarHBondContact O-CA 3.35Å; V495-G498 WeakPolarHBondContact CG1-O 3.25Å; G498-A545 PolarHBondContact O-N 3.14Å
499	T	96.9	Very high	96.5	Very high	20 Å²	20	18.5 Å²	18.5	12%	0.123	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.5	-179.3	-64.1	0	0	0	0	109.3	P469 R542 V543	P469-T499 PolarHBondContact O-N 3.22Å; P469-T499 PolarHBondContact O-OG1 2.99Å; T499-R542 HydrophobicContact CG2-CB 3.8Å; T499-R542 HydrophobicContact CG2-CG 4.25Å; T499-V543 WeakPolarHBondContact CA-O 2.96Å
500	I	96.7	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.7	174.1	-168.8	168.8	0	0	0	109.6	L473 V495 V526 L529 R542 V543 V549 I551	L473-I500 HydrophobicContact CD1-CB 4.02Å; L473-I500 HydrophobicContact CD2-CB 4.46Å; L473-I500 HydrophobicContact CD2-CG1 4.44Å; V495-I500 HydrophobicContact CG2-CG2 3.92Å; I500-V526 HydrophobicContact CD1-CG2 3.9Å; I500-V526 HydrophobicContact CG1-CG2 4.1Å; I500-L529 HydrophobicContact CD1-CD2 4.02Å; I500-L529 HydrophobicContact CG1-CD1 4.33Å; I500-L529 HydrophobicContact CG1-CD2 4.19Å; I500-L529 HydrophobicContact CG2-CD1 3.87Å; I500-L529 HydrophobicContact CG2-CD2 4.19Å; I500-L529 WeakPolarHBondContact O-CD1 3.29Å; I500-R542 CarbonylContact O-C 3.02Å; I500-R542 WeakPolarHBondContact O-CA 3.46Å; I500-V543 HydrophobicContact CG2-CB 3.84Å; I500-V543 PolarHBondContact N-O 3.41Å; I500-V543 PolarHBondContact O-N 2.78Å; I500-V549 HydrophobicContact CG2-CG2 4.45Å; I500-I551 HydrophobicContact CD1-CD1 3.64Å; I500-I551 HydrophobicContact CD1-CG1 4.05Å; I500-I551 HydrophobicContact CD1-CG2 4.28Å
501	Q	97	Very high	96.2	Very high	108 Å²	108	21.1 Å²	21.1	51%	0.505	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.1	178.2	-59.9	-178.2	14	0	0	111.7	Q504 N541 R542	Q501-Q504 HydrophobicContact CB-CB 4.26Å; Q501-Q504 VanDerWaalsContact N-OE1 3.11Å; Q501-Q504 VanDerWaalsContact O-CB 3.22Å; Q501-Q504 WeakPolarHBondContact O-CB 3.44Å; Q501-Q504 PolarHBondContact O-N 3.12Å; Q501-N541 WeakPolarHBondContact CA-O 3.18Å; Q501-R542 HydrophobicContact CG-CB 4.2Å
502	A	97.1	Very high	95.9	Very high	42 Å²	42	27.2 Å²	27.2	35%	0.347	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	134.6	172.8	0	0	0	0	0	110.3	Q504 L529 N541	A502-Q504 VanDerWaalsContact C-N 3.31Å; A502-Q504 PolarHBondContact O-N 2.9Å; A502-L529 HydrophobicContact CB-CD1 4.49Å; A502-L529 HydrophobicContact CB-CG 4.43Å; A502-N541 PolarHBondContact N-O 3.41Å
503	G	95.3	Very high	95.7	Very high	49 Å²	49	27.5 Å²	27.5	51%	0.505	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-2.2	-174.7	0	0	0	0	0	115.7	V526	G503-V526 WeakPolarHBondContact CA-O 3.28Å; G503-V526 PolarHBondContact N-O 3.46Å
504	Q	95.3	Very high	95.3	Very high	39 Å²	39	30.8 Å²	30.8	18%	0.182	18%	0.182	C	C	.	.			trans	-73.7	138.2	179.1	-177.2	179.8	-8.8	0	0	111.5	Q501 A502 V506 V526	Q501-Q504 HydrophobicContact CB-CB 4.26Å; Q501-Q504 VanDerWaalsContact N-OE1 3.11Å; Q501-Q504 VanDerWaalsContact O-CB 3.22Å; Q501-Q504 WeakPolarHBondContact O-CB 3.44Å; Q501-Q504 PolarHBondContact O-N 3.12Å; A502-Q504 VanDerWaalsContact C-N 3.31Å; A502-Q504 PolarHBondContact O-N 2.9Å; Q504-V506 HydrophobicContact CG-CG1 4.41Å; Q504-V526 WeakPolarHBondContact O-CG2 3.43Å; Q504-V526 PolarHBondContact O-N 3.09Å
505	P	96.5	Very high	94.8	Very high	68 Å²	68	34.4 Å²	34.4	44%	0.442	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.4	167.9	30.8	-33.4	0	0	0	110.6	C524 P567	P505-C524 CarbonylContact C-O 3.53Å; P505-C524 WeakPolarHBondContact CA-O 3.43Å; P505-P567 HydrophobicContact CB-CG 4.4Å; P505-P567 VanDerWaalsContact O-CD 3.27Å; P505-P567 WeakPolarHBondContact O-CD 3.35Å
506	V	96.4	Very high	94.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.8	-178.3	-63.6	0	0	0	0	110.6	L473 Q504 V508 I523 C524 V526 I564	L473-V506 HydrophobicContact CD2-CG1 4.02Å; Q504-V506 HydrophobicContact CG-CG1 4.41Å; V506-V508 HydrophobicContact CG2-CG2 4.45Å; V506-I523 CarbonylContact O-C 3.59Å; V506-I523 WeakPolarHBondContact O-CA 3.43Å; V506-C524 HydrophobicContact CG2-CB 4.43Å; V506-C524 PolarHBondContact N-O 3.42Å; V506-C524 PolarHBondContact O-N 3.37Å; V506-V526 HydrophobicContact CG1-CG2 3.74Å; V506-V526 HydrophobicContact CG2-CG2 3.93Å; V506-I564 HydrophobicContact CB-CG2 3.66Å; V506-I564 HydrophobicContact CG1-CG2 4.02Å; V506-I564 HydrophobicContact CG2-CG2 3.88Å
507	K	96.2	Very high	93.9	Very high	31 Å²	31	45.3 Å²	45.3	14%	0.135	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.4	170.2	-173	-179.6	-174.5	-177	0	108.1	L509 E518 S521 T565 P567	K507-L509 HydrophobicContact CD-CD2 3.94Å; K507-L509 HydrophobicContact CG-CD2 3.88Å; K507-E518 IonicContact NZ-OE2 3.46Å; K507-E518 PolarHBondContact NZ-OE2 2.87Å; K507-S521 VanDerWaalsContact CE-CB 3.45Å; K507-S521 WeakPolarHBondContact CE-OG 3.13Å; K507-T565 HydrophobicContact CB-CG2 4.09Å; K507-T565 PolarHBondContact N-O 2.83Å; K507-T565 PolarHBondContact O-N 3.48Å; K507-P567 HydrophobicContact CB-CB 4.27Å
508	V	96.7	Very high	93.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.4	176	-173.4	0	0	0	0	107.9	V506 S521 Q522 C524 C554 P557 I558 A562 I564	V506-V508 HydrophobicContact CG2-CG2 4.45Å; V508-S521 CarbonylContact O-C 3.49Å; V508-S521 VanDerWaalsContact O-CA 3.26Å; V508-S521 WeakPolarHBondContact O-CA 3.5Å; V508-Q522 PolarHBondContact N-O 3.44Å; V508-Q522 PolarHBondContact O-N 2.83Å; V508-C524 HydrophobicContact CG2-CB 4.24Å; V508-C554 HydrophobicContact CG2-CB 4.2Å; V508-P557 HydrophobicContact CB-CG 4Å; V508-P557 HydrophobicContact CG1-CG 4Å; V508-P557 HydrophobicContact CG2-CG 4.28Å; V508-I558 HydrophobicContact CG1-CD1 4Å; V508-I558 HydrophobicContact CG1-CG1 3.63Å; V508-A562 HydrophobicContact CG1-CB 3.77Å; V508-I564 HydrophobicContact CG2-CG1 4.35Å
509	L	95.9	Very high	93.3	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.8	177.5	-47	179.7	0	0	0	108.5	K507 Y513 A562 T563 T565 A573 I575	K507-L509 HydrophobicContact CD-CD2 3.94Å; K507-L509 HydrophobicContact CG-CD2 3.88Å; L509-Y513 HydrophobicContact CB-CD1 4.35Å; L509-Y513 HydrophobicContact CB-CG 4.16Å; L509-Y513 HydrophobicContact CD1-CD1 4.13Å; L509-Y513 HydrophobicContact CD1-CE1 4.02Å; L509-Y513 HydrophobicContact CD2-CD1 4.38Å; L509-Y513 HydrophobicContact CD2-CD2 3.95Å; L509-Y513 HydrophobicContact CD2-CE1 4.24Å; L509-Y513 HydrophobicContact CD2-CE2 3.77Å; L509-Y513 HydrophobicContact CD2-CG 4.23Å; L509-A562 WeakPolarHBondContact O-CA 3.42Å; L509-A562 WeakPolarHBondContact O-CB 3.2Å; L509-T563 HydrophobicContact CD1-CG2 4.37Å; L509-T563 PolarHBondContact N-O 3.22Å; L509-T563 PolarHBondContact O-N 2.91Å; L509-T565 HydrophobicContact CD1-CG2 4.17Å; L509-T565 HydrophobicContact CG-CG2 4.29Å; L509-A573 HydrophobicContact CD1-CB 4.29Å; L509-I575 HydrophobicContact CB-CG2 3.79Å; L509-I575 HydrophobicContact CD1-CG2 4.32Å
510	G	94.3	Very high	93.1	Very high	8 Å²	8	60.1 Å²	60.1	8%	0.082	33%	0.329	C	S	.	.			trans	-79	-177.2	175.3	0	0	0	0	0	113.1	Y513 D520 I575	G510-Y513 WeakPolarHBondContact O-CB 3.15Å; G510-Y513 PolarHBondContact O-N 3.43Å; G510-D520 VanDerWaalsContact CA-OD2 3.32Å; G510-D520 WeakPolarHBondContact CA-OD2 3.42Å; G510-D520 PolarHBondContact N-O 3.47Å; G510-I575 WeakPolarHBondContact O-CG2 3.41Å
511	E	90.9	Very high	92.9	Very high	64 Å²	64	61.6 Å²	61.6	30%	0.299	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.6	-174.4	-67.9	180	173.8	0	0	113.9	D520 K560 T561 I575 P578	E511-D520 PolarHBondContact N-OD2 2.82Å; E511-K560 WeakPolarHBondContact OE1-CB 3.28Å; E511-T561 WeakPolarHBondContact CG-OG1 3.45Å; E511-T561 WeakPolarHBondContact OE1-CB 3.45Å; E511-T561 PolarHBondContact OE1-N 3.3Å; E511-T561 VanDerWaalsContact OE1-N 3.13Å; E511-T561 PolarHBondContact OE1-OG1 3.04Å; E511-I575 VanDerWaalsContact O-CD1 3.27Å; E511-I575 WeakPolarHBondContact O-CD1 3.41Å; E511-P578 HydrophobicContact CB-CG 4.4Å; E511-P578 HydrophobicContact CG-CG 4.4Å
512	N	90.5	Very high	92.8	Very high	128 Å²	128	60.4 Å²	60.4	68%	0.684	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.2	179	-58.2	-54.3	0	0	0	112.6	T514 D520	N512-T514 PolarHBondContact O-N 2.68Å; N512-D520 WeakPolarHBondContact CA-OD2 3.33Å; N512-D520 HydrophobicContact CB-CB 4.18Å; N512-D520 WeakPolarHBondContact CB-OD2 3.43Å; N512-D520 PolarHBondContact N-OD2 3.04Å
513	Y	92.8	Very high	92.7	Very high	7 Å²	7	63.5 Å²	63.5	3%	0.027	34%	0.343	C	S	.	.			trans	-61.1	132.8	179.5	179.2	-87.3	0	0	0	111.3	L509 G510 E518 A573 I575	L509-Y513 HydrophobicContact CB-CD1 4.35Å; L509-Y513 HydrophobicContact CB-CG 4.16Å; L509-Y513 HydrophobicContact CD1-CD1 4.13Å; L509-Y513 HydrophobicContact CD1-CE1 4.02Å; L509-Y513 HydrophobicContact CD2-CD1 4.38Å; L509-Y513 HydrophobicContact CD2-CD2 3.95Å; L509-Y513 HydrophobicContact CD2-CE1 4.24Å; L509-Y513 HydrophobicContact CD2-CE2 3.77Å; L509-Y513 HydrophobicContact CD2-CG 4.23Å; G510-Y513 WeakPolarHBondContact O-CB 3.15Å; G510-Y513 PolarHBondContact O-N 3.43Å; Y513-E518 HydrophobicContact CE2-CB 4Å; Y513-E518 HydrophobicContact CE2-CG 3.88Å; Y513-A573 WeakPolarHBondContact CE1-O 3.47Å; Y513-I575 HydrophobicContact CD1-CG2 3.92Å; Y513-I575 HydrophobicContact CG-CG2 4.32Å
514	T	89.3	Confident	92.7	Very high	70 Å²	70	61.8 Å²	61.8	43%	0.429	32%	0.324	S	S	.	.			trans	-135.7	167.4	170.1	66.7	0	0	0	0	109.7	N512 D516 D517	N512-T514 PolarHBondContact O-N 2.68Å; T514-D516 PolarHBondContact O-N 2.96Å; T514-D517 PolarHBondContact N-O 3.46Å; T514-D517 VanDerWaalsContact N-O 3.11Å; T514-D517 CarbonylContact O-C 3.55Å; T514-D517 VanDerWaalsContact O-C 3.27Å; T514-D517 PolarHBondContact O-N 3.08Å; T514-D517 WeakPolarHBondContact OG1-CB 3.49Å; T514-D517 PolarHBondContact OG1-N 3.44Å
515	L	88.2	Confident	92.8	Very high	79 Å²	79	64.1 Å²	64.1	41%	0.414	34%	0.34	S	S	.	.	S	Bend	trans	-65.1	-23	177.2	-65.5	178	0	0	0	113.1	Q574	L515-Q574 HydrophobicContact CD1-CG 4.16Å; L515-Q574 HydrophobicContact CD2-CG 4.16Å; L515-Q574 HydrophobicContact CG-CG 4.08Å
516	D	86.6	Confident	92.8	Very high	168 Å²	168	60.9 Å²	60.9	90%	0.898	32%	0.32	S	S	*	.	S	Bend	trans	-88.7	-19.2	177.6	-63.2	-42.2	0	0	0	112.4	T514	T514-D516 PolarHBondContact O-N 2.96Å
517	D	88	Confident	92.8	Very high	67 Å²	67	62.5 Å²	62.5	36%	0.358	34%	0.336	S	S	.	.			trans	-134.6	97.9	-175.8	-173.6	2.4	0	0	0	111	T514 E519	T514-D517 PolarHBondContact N-O 3.46Å; T514-D517 VanDerWaalsContact N-O 3.11Å; T514-D517 CarbonylContact O-C 3.55Å; T514-D517 VanDerWaalsContact O-C 3.27Å; T514-D517 PolarHBondContact O-N 3.08Å; T514-D517 WeakPolarHBondContact OG1-CB 3.49Å; T514-D517 PolarHBondContact OG1-N 3.44Å; D517-E519 VanDerWaalsContact OD1-CB 3.3Å; D517-E519 WeakPolarHBondContact OD1-CB 3.36Å; D517-E519 VanDerWaalsContact OD1-CG 3.31Å; D517-E519 WeakPolarHBondContact OD1-CG 3.43Å; D517-E519 PolarHBondContact OD1-N 3.02Å; D517-E519 VanDerWaalsContact OD1-N 3.1Å
518	E	87.8	Confident	92.9	Very high	106 Å²	106	65.9 Å²	65.9	50%	0.495	35%	0.348	S	S	.	.			trans	-88.3	3.2	179.9	-65.2	-164.3	-138.7	0	0	114	K507 Y513 D520 S521	K507-E518 IonicContact NZ-OE2 3.46Å; K507-E518 PolarHBondContact NZ-OE2 2.87Å; Y513-E518 HydrophobicContact CE2-CB 4Å; Y513-E518 HydrophobicContact CE2-CG 3.88Å; E518-D520 PolarHBondContact O-N 3.33Å; E518-S521 PolarHBondContact O-N 2.78Å; E518-S521 PolarHBondContact O-OG 3.47Å
519	E	90.7	Very high	92.9	Very high	177 Å²	177	65.8 Å²	65.8	83%	0.827	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-34.4	-175.4	-69.9	-174.7	177.9	0	0	112.4	D517 S521	D517-E519 VanDerWaalsContact OD1-CB 3.3Å; D517-E519 WeakPolarHBondContact OD1-CB 3.36Å; D517-E519 VanDerWaalsContact OD1-CG 3.31Å; D517-E519 WeakPolarHBondContact OD1-CG 3.43Å; D517-E519 PolarHBondContact OD1-N 3.02Å; D517-E519 VanDerWaalsContact OD1-N 3.1Å; E519-S521 PolarHBondContact O-N 2.88Å
520	D	92.2	Very high	93	Very high	49 Å²	49	66.5 Å²	66.5	26%	0.262	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	43.7	176.7	-160.9	17.6	0	0	0	112.1	G510 E511 N512 E518	G510-D520 VanDerWaalsContact CA-OD2 3.32Å; G510-D520 WeakPolarHBondContact CA-OD2 3.42Å; G510-D520 PolarHBondContact N-O 3.47Å; E511-D520 PolarHBondContact N-OD2 2.82Å; N512-D520 WeakPolarHBondContact CA-OD2 3.33Å; N512-D520 HydrophobicContact CB-CB 4.18Å; N512-D520 WeakPolarHBondContact CB-OD2 3.43Å; N512-D520 PolarHBondContact N-OD2 3.04Å; E518-D520 PolarHBondContact O-N 3.33Å
521	S	93.3	Very high	93.1	Very high	31 Å²	31	66.2 Å²	66.2	22%	0.217	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.7	171.8	73.4	0	0	0	0	112.9	K507 V508 E518 E519	K507-S521 VanDerWaalsContact CE-CB 3.45Å; K507-S521 WeakPolarHBondContact CE-OG 3.13Å; V508-S521 CarbonylContact O-C 3.49Å; V508-S521 VanDerWaalsContact O-CA 3.26Å; V508-S521 WeakPolarHBondContact O-CA 3.5Å; E518-S521 PolarHBondContact O-N 2.78Å; E518-S521 PolarHBondContact O-OG 3.47Å; E519-S521 PolarHBondContact O-N 2.88Å
522	Q	94.7	Very high	93.4	Very high	82 Å²	82	63.6 Å²	63.6	38%	0.383	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.2	-179.6	-171.8	172.5	-25.3	0	0	111.2	V508 P557	V508-Q522 PolarHBondContact N-O 3.44Å; V508-Q522 PolarHBondContact O-N 2.83Å; Q522-P557 HydrophobicContact CB-CB 3.96Å; Q522-P557 HydrophobicContact CB-CG 4.25Å
523	I	95.2	Very high	93.6	Very high	108 Å²	108	57.5 Å²	57.5	55%	0.554	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.5	172.9	-57.9	174.6	0	0	0	108.7	V506 P567	V506-I523 CarbonylContact O-C 3.59Å; V506-I523 WeakPolarHBondContact O-CA 3.43Å; I523-P567 HydrophobicContact CD1-CB 4.09Å; I523-P567 HydrophobicContact CG1-CB 4.26Å; I523-P567 HydrophobicContact CG2-CB 4.41Å
524	C	95.8	Very high	93.7	Very high	13 Å²	13	57.2 Å²	57.2	9%	0.088	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	165.3	176.7	-62.6	0	0	0	0	110	P505 V506 V508	P505-C524 CarbonylContact C-O 3.53Å; P505-C524 WeakPolarHBondContact CA-O 3.43Å; V506-C524 HydrophobicContact CG2-CB 4.43Å; V506-C524 PolarHBondContact N-O 3.42Å; V506-C524 PolarHBondContact O-N 3.37Å; V508-C524 HydrophobicContact CG2-CB 4.24Å
525	T	96.9	Very high	93.9	Very high	87 Å²	87	55.2 Å²	55.2	53%	0.534	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.8	170.8	-57.4	0	0	0	0	108.4	G527	T525-G527 PolarHBondContact O-N 2.93Å
526	V	97.3	Very high	94.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.267	C	S	.	.			trans	-63.5	121.2	173.8	176.4	0	0	0	0	108.2	I500 G503 Q504 V506 L529 I551	I500-V526 HydrophobicContact CD1-CG2 3.9Å; I500-V526 HydrophobicContact CG1-CG2 4.1Å; G503-V526 WeakPolarHBondContact CA-O 3.28Å; G503-V526 PolarHBondContact N-O 3.46Å; Q504-V526 WeakPolarHBondContact O-CG2 3.43Å; Q504-V526 PolarHBondContact O-N 3.09Å; V506-V526 HydrophobicContact CG1-CG2 3.74Å; V506-V526 HydrophobicContact CG2-CG2 3.93Å; V526-L529 HydrophobicContact CG1-CD2 3.51Å; V526-L529 HydrophobicContact CG1-CG 3.86Å; V526-I551 HydrophobicContact CG1-CG2 4.17Å; V526-I551 HydrophobicContact CG2-CG2 4.25Å
527	G	96.3	Very high	94.5	Very high	33 Å²	33	46.2 Å²	46.2	34%	0.34	24%	0.237	S	C	.	.			trans	-73.2	-98.1	173.3	0	0	0	0	0	110.4	T525 E552	T525-G527 PolarHBondContact O-N 2.93Å; G527-E552 PolarHBondContact N-O 3.25Å
528	R	97	Very high	94.9	Very high	103 Å²	103	43.7 Å²	43.7	39%	0.389	22%	0.223	S	C	.	.			trans	-106.1	162.4	170.4	-66.6	167.6	-73.2	175.4	1.3	111.6	W530 E539 E552	R528-W530 HydrophobicContact CB-CD2 4.4Å; R528-W530 HydrophobicContact CB-CH2 3.75Å; R528-W530 HydrophobicContact CB-CZ2 3.45Å; R528-W530 VanDerWaalsContact CB-CZ2 3.45Å; R528-W530 HydrophobicContact CB-CZ3 4.29Å; R528-W530 HydrophobicContact CG-CZ2 4.29Å; R528-E539 WeakPolarHBondContact CD-OE1 3.15Å; R528-E539 WeakPolarHBondContact CG-OE1 3.38Å; R528-E552 WeakPolarHBondContact CB-OE2 3.45Å; R528-E552 IonicContact CZ-OE1 2.85Å; R528-E552 IonicContact CZ-OE2 2.69Å; R528-E552 PolarHBondContact N-OE2 2.83Å; R528-E552 IonicContact NE-OE1 3.83Å; R528-E552 IonicContact NE-OE2 3.96Å; R528-E552 PolarHBondContact NE-OE2 3.04Å; R528-E552 IonicContact NH2-OE1 2.75Å; R528-E552 PolarHBondContact NH2-OE1 2.98Å; R528-E552 IonicContact NH2-OE2 3.59Å; R528-E552 PolarHBondContact NH2-OE2 2.98Å; R528-E552 PolarHBondContact O-N 3.49Å; R528-E552 VanDerWaalsContact O-N 3.09Å
529	L	97.8	Very high	95.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.3	174.1	-61.7	173.2	0	0	0	109.1	I500 A502 V526 E539 V540 V543 V549 L550 I551	I500-L529 HydrophobicContact CD1-CD2 4.02Å; I500-L529 HydrophobicContact CG1-CD1 4.33Å; I500-L529 HydrophobicContact CG1-CD2 4.19Å; I500-L529 HydrophobicContact CG2-CD1 3.87Å; I500-L529 HydrophobicContact CG2-CD2 4.19Å; I500-L529 WeakPolarHBondContact O-CD1 3.29Å; A502-L529 HydrophobicContact CB-CD1 4.49Å; A502-L529 HydrophobicContact CB-CG 4.43Å; V526-L529 HydrophobicContact CG1-CD2 3.51Å; V526-L529 HydrophobicContact CG1-CG 3.86Å; L529-E539 WeakPolarHBondContact O-CA 3.46Å; L529-V540 HydrophobicContact CB-CG2 4.01Å; L529-V540 PolarHBondContact O-N 2.91Å; L529-V543 HydrophobicContact CD1-CG2 4.46Å; L529-V549 HydrophobicContact CB-CG2 4.23Å; L529-V549 HydrophobicContact CD2-CG2 3.81Å; L529-L550 WeakPolarHBondContact CA-O 3.37Å; L529-I551 HydrophobicContact CD2-CB 4.38Å; L529-I551 HydrophobicContact CD2-CG1 4.01Å; L529-I551 HydrophobicContact CD2-CG2 4.25Å
530	W	96.9	Very high	95.5	Very high	15 Å²	15	36.9 Å²	36.9	6%	0.057	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.6	175.8	-51.3	-93.3	0	0	0	113.2	H490 R528 Q537 I538 L550 E552	H490-W530 AromaticContact CD2-CZ3 3.66Å; H490-W530 AromaticContact CE1-CH2 3.61Å; H490-W530 AromaticContact CE1-CZ3 3.76Å; H490-W530 AromaticContact CG-CZ3 3.81Å; H490-W530 AromaticContact ND1-CZ3 3.87Å; H490-W530 AromaticContact NE2-CH2 3.53Å; H490-W530 AromaticContact NE2-CZ3 3.64Å; R528-W530 HydrophobicContact CB-CD2 4.4Å; R528-W530 HydrophobicContact CB-CH2 3.75Å; R528-W530 HydrophobicContact CB-CZ2 3.45Å; R528-W530 VanDerWaalsContact CB-CZ2 3.45Å; R528-W530 HydrophobicContact CB-CZ3 4.29Å; R528-W530 HydrophobicContact CG-CZ2 4.29Å; W530-Q537 HydrophobicContact CB-CB 4.05Å; W530-Q537 HydrophobicContact CG-CB 4.13Å; W530-I538 CarbonylContact C-O 3.59Å; W530-I538 VanDerWaalsContact CA-O 3.26Å; W530-I538 WeakPolarHBondContact CA-O 3.48Å; W530-L550 HydrophobicContact CB-CB 4.1Å; W530-L550 HydrophobicContact CB-CD1 4.29Å; W530-L550 HydrophobicContact CE3-CB 3.93Å; W530-L550 PolarHBondContact N-O 3.49Å; W530-L550 PolarHBondContact O-N 3.24Å; W530-E552 HydrophobicContact CH2-CB 3.56Å; W530-E552 HydrophobicContact CH2-CG 3.78Å; W530-E552 WeakPolarHBondContact CH2-OE2 3.4Å; W530-E552 HydrophobicContact CZ3-CB 3.56Å; W530-E552 HydrophobicContact CZ3-CG 4.2Å
531	I	97.4	Very high	95.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.2	161.7	-56.9	-56	0	0	0	107.7	M122 T186 I538 V540 V543 W548	M122-I531 HydrophobicContact CE-CD1 3.62Å; M122-I531 HydrophobicContact CE-CG1 3.92Å; M122-I531 HydrophobicContact SD-CD1 4.2Å; M122-I531 HydrophobicContact SD-CG1 3.98Å; T186-I531 VanDerWaalsContact CB-CG2 3.47Å; T186-I531 HydrophobicContact CG2-CG2 3.61Å; I531-I538 HydrophobicContact CB-CB 4.33Å; I531-I538 PolarHBondContact N-O 3.44Å; I531-I538 PolarHBondContact O-N 3.46Å; I531-V540 HydrophobicContact CG1-CG1 4.09Å; I531-V540 HydrophobicContact CG1-CG2 4.15Å; I531-V543 HydrophobicContact CD1-CG1 4.38Å; I531-V543 HydrophobicContact CD1-CG2 3.95Å; I531-W548 VanDerWaalsContact CD1-O 3.22Å; I531-W548 WeakPolarHBondContact CD1-O 3.41Å
532	S	95.8	Very high	95.9	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.5	-172.7	-171.7	0	0	0	0	111.9	T186	T186-S532 PolarHBondContact N-O 2.71Å
533	V	95.9	Very high	96.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	51.3	174.6	-161.1	0	0	0	0	109.4	I149 Y166 V185 T186 R535 Y536 I538	I149-V533 HydrophobicContact CD1-CG1 4.33Å; Y166-V533 WeakPolarHBondContact CE1-O 3.41Å; V185-V533 HydrophobicContact CG1-CG1 3.67Å; T186-V533 WeakPolarHBondContact O-CG2 3.35Å; V533-R535 PolarHBondContact O-N 2.99Å; V533-Y536 HydrophobicContact CB-CD1 4.1Å; V533-Y536 HydrophobicContact CB-CD2 4.21Å; V533-Y536 HydrophobicContact CB-CE1 3.61Å; V533-Y536 HydrophobicContact CB-CE2 3.77Å; V533-Y536 HydrophobicContact CB-CG 4.37Å; V533-Y536 VanDerWaalsContact CB-CZ 3.43Å; V533-Y536 HydrophobicContact CG1-CD1 4.47Å; V533-Y536 HydrophobicContact CG1-CE1 3.62Å; V533-Y536 HydrophobicContact CG1-CE2 4.4Å; V533-Y536 WeakPolarHBondContact CG1-OH 3.3Å; V533-Y536 HydrophobicContact CG2-CD2 4.29Å; V533-Y536 HydrophobicContact CG2-CE1 4.31Å; V533-Y536 HydrophobicContact CG2-CE2 3.6Å; V533-Y536 PolarHBondContact N-O 3.36Å; V533-I538 HydrophobicContact CG2-CD1 3.89Å; V533-I538 HydrophobicContact CG2-CG1 4.38Å
534	A	93.8	Very high	96.2	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-88.9	-171.1	0	0	0	0	0	113.9	Y166 T167 I169 T183 P184 V185	Y166-A534 HydrophobicContact CD1-CB 3.98Å; Y166-A534 HydrophobicContact CE1-CB 3.93Å; T167-A534 HydrophobicContact CG2-CB 4.18Å; I169-A534 HydrophobicContact CG2-CB 4.15Å; T183-A534 HydrophobicContact CG2-CB 3.54Å; P184-A534 PolarHBondContact O-N 3.01Å; V185-A534 HydrophobicContact CG2-CB 3.95Å
535	R	94.1	Very high	96.3	Very high	27 Å²	27	35.7 Å²	35.7	10%	0.102	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.9	-172.8	-59.8	-167.8	-177.8	-179.4	-4.5	114.2	M104 E105 L164 R165 Y166 I169 V533	M104-R535 CarbonylContact C-O 3.59Å; M104-R535 VanDerWaalsContact CA-O 3.28Å; M104-R535 WeakPolarHBondContact CA-O 3.46Å; E105-R535 HydrophobicContact CG-CB 4.33Å; E105-R535 PolarHBondContact N-O 2.84Å; L164-R535 PolarHBondContact O-NH2 3.34Å; R165-R535 PolarHBondContact O-NH2 3.04Å; Y166-R535 HydrophobicContact CD1-CG 4.36Å; Y166-R535 HydrophobicContact CD2-CG 4.2Å; Y166-R535 HydrophobicContact CE1-CB 4.25Å; Y166-R535 HydrophobicContact CE1-CG 4.05Å; Y166-R535 HydrophobicContact CE2-CB 4.15Å; Y166-R535 VanDerWaalsContact CE2-CD 3.48Å; Y166-R535 HydrophobicContact CE2-CG 3.85Å; Y166-R535 HydrophobicContact CG-CG 4.45Å; Y166-R535 WeakPolarHBondContact O-CG 3.38Å; Y166-R535 PolarHBondContact O-NE 2.86Å; I169-R535 HydrophobicContact CG2-CG 3.92Å; V533-R535 PolarHBondContact O-N 2.99Å
536	Y	94.1	Very high	96.2	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.1	174.9	72.7	-91.4	0	0	0	111.1	L108 P109 M115 H153 Y166 V533 I538	L108-Y536 HydrophobicContact CD2-CD2 3.46Å; L108-Y536 VanDerWaalsContact CD2-CD2 3.46Å; L108-Y536 HydrophobicContact CD2-CE2 3.96Å; L108-Y536 HydrophobicContact CD2-CG 4.38Å; P109-Y536 VanDerWaalsContact CD-CD1 3.5Å; P109-Y536 HydrophobicContact CG-CD1 3.5Å; P109-Y536 VanDerWaalsContact CG-CD1 3.5Å; P109-Y536 HydrophobicContact CG-CE1 3.36Å; P109-Y536 HydrophobicContact CG-CG 4.2Å; M115-Y536 HydrophobicContact CE-CE2 4.36Å; H153-Y536 AromaticContact NE2-CE1 3.51Å; H153-Y536 AromaticContact NE2-CZ 3.63Å; H153-Y536 PolarHBondContact NE2-OH 3.15Å; Y166-Y536 WeakPolarHBondContact OH-CD1 3.46Å; V533-Y536 HydrophobicContact CB-CD1 4.1Å; V533-Y536 HydrophobicContact CB-CD2 4.21Å; V533-Y536 HydrophobicContact CB-CE1 3.61Å; V533-Y536 HydrophobicContact CB-CE2 3.77Å; V533-Y536 HydrophobicContact CB-CG 4.37Å; V533-Y536 VanDerWaalsContact CB-CZ 3.43Å; V533-Y536 HydrophobicContact CG1-CD1 4.47Å; V533-Y536 HydrophobicContact CG1-CE1 3.62Å; V533-Y536 HydrophobicContact CG1-CE2 4.4Å; V533-Y536 WeakPolarHBondContact CG1-OH 3.3Å; V533-Y536 HydrophobicContact CG2-CD2 4.29Å; V533-Y536 HydrophobicContact CG2-CE1 4.31Å; V533-Y536 HydrophobicContact CG2-CE2 3.6Å; V533-Y536 PolarHBondContact N-O 3.36Å; Y536-I538 HydrophobicContact CD2-CG1 4.11Å; Y536-I538 HydrophobicContact CE2-CD1 3.97Å; Y536-I538 HydrophobicContact CE2-CG1 3.69Å
537	Q	94.1	Very high	96.3	Very high	58 Å²	58	31.6 Å²	31.6	27%	0.271	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.4	-177	-68.3	175.6	5.7	0	0	109.5	M104 W530 L550	M104-Q537 HydrophobicContact CE-CG 3.89Å; M104-Q537 VanDerWaalsContact CE-NE2 3.34Å; W530-Q537 HydrophobicContact CB-CB 4.05Å; W530-Q537 HydrophobicContact CG-CB 4.13Å; Q537-L550 HydrophobicContact CG-CD1 4.21Å
538	I	95.3	Very high	96.4	Very high	14 Å²	14	30.1 Å²	30.1	7%	0.072	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.4	177.8	-53.9	164.1	0	0	0	107.2	L108 M115 L118 W530 I531 V533 Y536 V540	L108-I538 HydrophobicContact CD2-CG1 4.19Å; M115-I538 HydrophobicContact CE-CD1 4.47Å; M115-I538 HydrophobicContact SD-CD1 3.7Å; M115-I538 HydrophobicContact SD-CG1 4.36Å; L118-I538 HydrophobicContact CD1-CD1 4.22Å; W530-I538 CarbonylContact C-O 3.59Å; W530-I538 VanDerWaalsContact CA-O 3.26Å; W530-I538 WeakPolarHBondContact CA-O 3.48Å; I531-I538 HydrophobicContact CB-CB 4.33Å; I531-I538 PolarHBondContact N-O 3.44Å; I531-I538 PolarHBondContact O-N 3.46Å; V533-I538 HydrophobicContact CG2-CD1 3.89Å; V533-I538 HydrophobicContact CG2-CG1 4.38Å; Y536-I538 HydrophobicContact CD2-CG1 4.11Å; Y536-I538 HydrophobicContact CE2-CD1 3.97Å; Y536-I538 HydrophobicContact CE2-CG1 3.69Å; I538-V540 HydrophobicContact CG2-CG1 4.32Å
539	E	95.9	Very high	96.4	Very high	117 Å²	117	25.2 Å²	25.2	55%	0.547	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.9	175.8	-171.7	174.3	165.6	0	0	110.7	R528 L529	R528-E539 WeakPolarHBondContact CD-OE1 3.15Å; R528-E539 WeakPolarHBondContact CG-OE1 3.38Å; L529-E539 WeakPolarHBondContact O-CA 3.46Å
540	V	96.5	Very high	96.4	Very high	23 Å²	23	25.3 Å²	25.3	14%	0.139	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.2	-177.6	-66.1	0	0	0	0	110.9	L529 I531 I538 V543	L529-V540 HydrophobicContact CB-CG2 4.01Å; L529-V540 PolarHBondContact O-N 2.91Å; I531-V540 HydrophobicContact CG1-CG1 4.09Å; I531-V540 HydrophobicContact CG1-CG2 4.15Å; I538-V540 HydrophobicContact CG2-CG1 4.32Å; V540-V543 HydrophobicContact CG2-CG2 3.53Å
541	N	96.9	Very high	96.4	Very high	135 Å²	135	24.6 Å²	24.6	72%	0.722	12%	0.116	S	C	*	.	S	Bend	trans	-79.2	-27.3	179.6	-66.6	-40.4	0	0	0	113	Q501 A502	Q501-N541 WeakPolarHBondContact CA-O 3.18Å; A502-N541 PolarHBondContact N-O 3.41Å
542	R	97.1	Very high	96.4	Very high	121 Å²	121	25.9 Å²	25.9	46%	0.457	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152	-178.2	73.8	178.1	-170.2	162.1	2.7	111.1	D123 T499 I500 Q501	D123-R542 IonicContact OD1-CZ 2.81Å; D123-R542 IonicContact OD1-NH2 3.57Å; D123-R542 PolarHBondContact OD1-NH2 3.21Å; D123-R542 IonicContact OD2-NH2 2.69Å; D123-R542 PolarHBondContact OD2-NH2 3.41Å; T499-R542 HydrophobicContact CG2-CB 3.8Å; T499-R542 HydrophobicContact CG2-CG 4.25Å; I500-R542 CarbonylContact O-C 3.02Å; I500-R542 WeakPolarHBondContact O-CA 3.46Å; Q501-R542 HydrophobicContact CG-CB 4.2Å
543	V	98	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.8	169.8	-178	0	0	0	0	110	M122 V495 T499 I500 L529 I531 V540 N547 V549	M122-V543 HydrophobicContact CE-CB 4.41Å; M122-V543 HydrophobicContact CE-CG1 3.99Å; M122-V543 HydrophobicContact CE-CG2 4.13Å; V495-V543 HydrophobicContact CG2-CG1 4.24Å; T499-V543 WeakPolarHBondContact CA-O 2.96Å; I500-V543 HydrophobicContact CG2-CB 3.84Å; I500-V543 PolarHBondContact N-O 3.41Å; I500-V543 PolarHBondContact O-N 2.78Å; L529-V543 HydrophobicContact CD1-CG2 4.46Å; I531-V543 HydrophobicContact CD1-CG1 4.38Å; I531-V543 HydrophobicContact CD1-CG2 3.95Å; V540-V543 HydrophobicContact CG2-CG2 3.53Å; V543-N547 HydrophobicContact CG1-CB 3.54Å; V543-V549 HydrophobicContact CB-CB 4.24Å; V543-V549 HydrophobicContact CB-CG2 4.13Å; V543-V549 HydrophobicContact CG1-CB 4.09Å; V543-V549 HydrophobicContact CG1-CG2 4.49Å; V543-V549 HydrophobicContact CG2-CB 4.12Å; V543-V549 HydrophobicContact CG2-CG2 3.65Å
544	P	97.7	Very high	96.1	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.013	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	167.8	-179.1	33.8	-35.8	0	0	0	112.5	M122 P469 N547	M122-P544 HydrophobicContact CB-CG 4.26Å; M122-P544 VanDerWaalsContact O-CG 3.27Å; M122-P544 WeakPolarHBondContact O-CG 3.41Å; P469-P544 HydrophobicContact CB-CB 3.96Å; P469-P544 HydrophobicContact CG-CB 4.4Å; P544-N547 PolarHBondContact O-N 2.87Å; P544-N547 PolarHBondContact O-ND2 3.06Å
545	A	97.1	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	145.9	176.2	0	0	0	0	0	113.2	T125 P469 V495 G498 N547	T125-A545 WeakPolarHBondContact CG2-O 3.46Å; P469-A545 HydrophobicContact CG-CB 4.39Å; V495-A545 HydrophobicContact CG1-CB 4.45Å; G498-A545 PolarHBondContact O-N 3.14Å; A545-N547 VanDerWaalsContact C-N 3.35Å
546	G	95.6	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-18.2	-178.4	0	0	0	0	0	115	N130 V495	N130-G546 PolarHBondContact ND2-O 3.35Å; N130-G546 PolarHBondContact OD1-O 3.45Å; V495-G546 PolarHBondContact O-N 3.27Å
547	N	98.2	Very high	96	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.179	C	C	.	.			trans	-94.3	158.7	-176.3	-68.3	-81.3	0	0	0	113.6	M122 I128 L198 R494 V495 V543 P544 A545	M122-N547 WeakPolarHBondContact CG-OD1 3.5Å; M122-N547 PolarHBondContact O-ND2 2.71Å; I128-N547 WeakPolarHBondContact CD1-ND2 3.32Å; I128-N547 WeakPolarHBondContact CD1-OD1 3.13Å; L198-N547 VanDerWaalsContact CD2-OD1 3.3Å; L198-N547 WeakPolarHBondContact CD2-OD1 3.47Å; R494-N547 WeakPolarHBondContact CA-O 3.47Å; V495-N547 PolarHBondContact N-O 2.98Å; V543-N547 HydrophobicContact CG1-CB 3.54Å; P544-N547 PolarHBondContact O-N 2.87Å; P544-N547 PolarHBondContact O-ND2 3.06Å; A545-N547 VanDerWaalsContact C-N 3.35Å
548	W	98.3	Very high	95.9	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.011	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	148.8	168.3	-64	-9.1	0	0	0	111.5	N130 P184 N200 M202 I220 S221 F492 G493 I531	N130-W548 HydrophobicContact CB-CZ2 3.84Å; P184-W548 HydrophobicContact CB-CE3 4.18Å; P184-W548 HydrophobicContact CB-CZ3 4.34Å; N200-W548 VanDerWaalsContact C-CZ3 3.49Å; N200-W548 HydrophobicContact CB-CD2 3.72Å; N200-W548 HydrophobicContact CB-CE3 3.63Å; N200-W548 HydrophobicContact CB-CG 4.26Å; N200-W548 HydrophobicContact CB-CH2 4.17Å; N200-W548 HydrophobicContact CB-CZ2 4.24Å; N200-W548 HydrophobicContact CB-CZ3 3.89Å; N200-W548 VanDerWaalsContact O-CH2 3.23Å; N200-W548 WeakPolarHBondContact O-CH2 3.36Å; M202-W548 HydrophobicContact CB-CH2 3.62Å; M202-W548 HydrophobicContact CB-CZ3 3.83Å; M202-W548 HydrophobicContact CE-CE3 4.36Å; M202-W548 HydrophobicContact CE-CZ3 4.02Å; I220-W548 HydrophobicContact CD1-CD2 4.23Å; I220-W548 HydrophobicContact CD1-CZ2 4.2Å; I220-W548 HydrophobicContact CG1-CZ2 4.19Å; I220-W548 PolarHBondContact O-NE1 3.22Å; S221-W548 VanDerWaalsContact OG-CZ2 3.23Å; S221-W548 WeakPolarHBondContact OG-CZ2 3.15Å; F492-W548 HydrophobicContact CE1-CD2 4.33Å; F492-W548 HydrophobicContact CE1-CE3 4.22Å; F492-W548 HydrophobicContact CE2-CB 3.94Å; F492-W548 HydrophobicContact CZ-CB 3.65Å; F492-W548 AromaticContact CZ-CD2 3.89Å; F492-W548 HydrophobicContact CZ-CD2 3.89Å; F492-W548 AromaticContact CZ-CE3 3.64Å; F492-W548 HydrophobicContact CZ-CE3 3.64Å; F492-W548 AromaticContact CZ-CG 3.95Å; F492-W548 HydrophobicContact CZ-CG 3.95Å; G493-W548 CarbonylContact O-C 3.59Å; G493-W548 VanDerWaalsContact O-CA 3.28Å; G493-W548 WeakPolarHBondContact O-CA 3.25Å; I531-W548 VanDerWaalsContact CD1-O 3.22Å; I531-W548 WeakPolarHBondContact CD1-O 3.41Å
549	V	98.1	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	141.2	-174.8	61.1	0	0	0	0	111.6	F492 G493 V495 I500 L529 V543 I551	F492-V549 WeakPolarHBondContact CA-O 3.16Å; F492-V549 WeakPolarHBondContact CD2-O 3.21Å; G493-V549 PolarHBondContact N-O 3.37Å; G493-V549 VanDerWaalsContact N-O 3.11Å; G493-V549 PolarHBondContact O-N 3.19Å; V495-V549 HydrophobicContact CG2-CG1 3.95Å; I500-V549 HydrophobicContact CG2-CG2 4.45Å; L529-V549 HydrophobicContact CB-CG2 4.23Å; L529-V549 HydrophobicContact CD2-CG2 3.81Å; V543-V549 HydrophobicContact CB-CB 4.24Å; V543-V549 HydrophobicContact CB-CG2 4.13Å; V543-V549 HydrophobicContact CG1-CB 4.09Å; V543-V549 HydrophobicContact CG1-CG2 4.49Å; V543-V549 HydrophobicContact CG2-CB 4.12Å; V543-V549 HydrophobicContact CG2-CG2 3.65Å; V549-I551 HydrophobicContact CG1-CD1 4Å; V549-I551 HydrophobicContact CG1-CG1 3.93Å; V549-I551 HydrophobicContact CG2-CG1 4.06Å
550	L	97.7	Very high	95.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.2	162	-72.1	171.3	0	0	0	109.5	Y481 H490 A491 F492 L529 W530 Q537	Y481-L550 HydrophobicContact CD2-CD2 3.65Å; Y481-L550 HydrophobicContact CE2-CD2 4.4Å; H490-L550 HydrophobicContact CB-CB 4.39Å; H490-L550 HydrophobicContact CB-CD2 4Å; A491-L550 CarbonylContact O-C 3.59Å; A491-L550 WeakPolarHBondContact O-CA 3.4Å; F492-L550 HydrophobicContact CB-CD2 3.84Å; F492-L550 HydrophobicContact CD2-CD2 3.57Å; F492-L550 HydrophobicContact CD2-CG 3.87Å; F492-L550 HydrophobicContact CG-CD2 4.13Å; L529-L550 WeakPolarHBondContact CA-O 3.37Å; W530-L550 HydrophobicContact CB-CB 4.1Å; W530-L550 HydrophobicContact CB-CD1 4.29Å; W530-L550 HydrophobicContact CE3-CB 3.93Å; W530-L550 PolarHBondContact N-O 3.49Å; W530-L550 PolarHBondContact O-N 3.24Å; Q537-L550 HydrophobicContact CG-CD1 4.21Å
551	I	97.8	Very high	95.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.3	-174.4	-52	170.7	0	0	0	109.3	T477 H490 A491 I500 V526 L529 V549 C554 I564	T477-I551 HydrophobicContact CG2-CD1 4.28Å; H490-I551 WeakPolarHBondContact CA-O 3.38Å; A491-I551 HydrophobicContact CB-CB 4.42Å; A491-I551 PolarHBondContact N-O 2.83Å; A491-I551 PolarHBondContact O-N 2.88Å; I500-I551 HydrophobicContact CD1-CD1 3.64Å; I500-I551 HydrophobicContact CD1-CG1 4.05Å; I500-I551 HydrophobicContact CD1-CG2 4.28Å; V526-I551 HydrophobicContact CG1-CG2 4.17Å; V526-I551 HydrophobicContact CG2-CG2 4.25Å; L529-I551 HydrophobicContact CD2-CB 4.38Å; L529-I551 HydrophobicContact CD2-CG1 4.01Å; L529-I551 HydrophobicContact CD2-CG2 4.25Å; V549-I551 HydrophobicContact CG1-CD1 4Å; V549-I551 HydrophobicContact CG1-CG1 3.93Å; V549-I551 HydrophobicContact CG2-CG1 4.06Å; I551-C554 HydrophobicContact CG2-CB 4.23Å; I551-I564 HydrophobicContact CD1-CD1 3.54Å
552	E	96.9	Very high	95.4	Very high	28 Å²	28	24.6 Å²	24.6	13%	0.131	13%	0.128	C	C	.	.	S	Bend	trans	-84.9	146.8	171.9	-158	178.5	-172.7	0	0	112.1	G527 R528 W530 C554	G527-E552 PolarHBondContact N-O 3.25Å; R528-E552 WeakPolarHBondContact CB-OE2 3.45Å; R528-E552 IonicContact CZ-OE1 2.85Å; R528-E552 IonicContact CZ-OE2 2.69Å; R528-E552 PolarHBondContact N-OE2 2.83Å; R528-E552 IonicContact NE-OE1 3.83Å; R528-E552 IonicContact NE-OE2 3.96Å; R528-E552 PolarHBondContact NE-OE2 3.04Å; R528-E552 IonicContact NH2-OE1 2.75Å; R528-E552 PolarHBondContact NH2-OE1 2.98Å; R528-E552 IonicContact NH2-OE2 3.59Å; R528-E552 PolarHBondContact NH2-OE2 2.98Å; R528-E552 PolarHBondContact O-N 3.49Å; R528-E552 VanDerWaalsContact O-N 3.09Å; W530-E552 HydrophobicContact CH2-CB 3.56Å; W530-E552 HydrophobicContact CH2-CG 3.78Å; W530-E552 WeakPolarHBondContact CH2-OE2 3.4Å; W530-E552 HydrophobicContact CZ3-CB 3.56Å; W530-E552 HydrophobicContact CZ3-CG 4.2Å; E552-C554 VanDerWaalsContact C-N 3.32Å; E552-C554 PolarHBondContact O-N 2.96Å
553	G	93.1	Very high	95.4	Very high	37 Å²	37	18.9 Å²	18.9	38%	0.381	11%	0.107	S	C	.	.	S	Bend	trans	83.6	1.6	166.9	0	0	0	0	0	115.6
554	C	92.9	Very high	95.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.			trans	-106.9	7.8	176.3	-61.6	0	0	0	0	113	V508 I551 E552 I558	V508-C554 HydrophobicContact CG2-CB 4.2Å; I551-C554 HydrophobicContact CG2-CB 4.23Å; E552-C554 VanDerWaalsContact C-N 3.32Å; E552-C554 PolarHBondContact O-N 2.96Å; C554-I558 HydrophobicContact CB-CD1 4.48Å; C554-I558 WeakPolarHBondContact O-CD1 3.4Å; C554-I558 VanDerWaalsContact O-CG1 3.23Å; C554-I558 WeakPolarHBondContact O-CG1 3.49Å
555	D	92.9	Very high	95.2	Very high	35 Å²	35	18.9 Å²	18.9	19%	0.187	11%	0.107	C	C	.	.			trans	-78	-28.8	-170.3	65.7	-50.2	0	0	0	114.3	M480 F489 I558 K611	M480-D555 HydrophobicContact CE-CB 3.53Å; F489-D555 HydrophobicContact CB-CB 3.88Å; F489-D555 WeakPolarHBondContact O-CB 3.36Å; D555-I558 PolarHBondContact O-N 3.08Å; D555-K611 PolarHBondContact O-NZ 3.47Å
556	Q	91.6	Very high	95	Very high	140 Å²	140	21.8 Å²	21.8	65%	0.654	12%	0.12	S	C	*	.	S	Bend	trans	-58.1	-51.4	-173.4	-152.1	-138.9	5.2	0	0	114.2	I558 K611	Q556-I558 VanDerWaalsContact C-N 3.29Å; Q556-I558 PolarHBondContact O-N 2.86Å; Q556-K611 PolarHBondContact O-NZ 3.48Å
557	P	93.5	Very high	94.6	Very high	25 Å²	25	23.8 Å²	23.8	16%	0.162	13%	0.134	C	C	.	.	S	Bend	trans	-74.5	-16.8	178.8	30.1	-36.3	0	0	0	113.6	V508 Q522	V508-P557 HydrophobicContact CB-CG 4Å; V508-P557 HydrophobicContact CG1-CG 4Å; V508-P557 HydrophobicContact CG2-CG 4.28Å; Q522-P557 HydrophobicContact CB-CB 3.96Å; Q522-P557 HydrophobicContact CB-CG 4.25Å
558	I	93.7	Very high	93.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.174	C	C	.	.			trans	-85.4	124.7	-175.7	-54.3	176.4	0	0	0	109.6	M480 A491 V508 C554 D555 Q556 A562 K611	M480-I558 HydrophobicContact CE-CB 4.11Å; M480-I558 HydrophobicContact CE-CG2 4.25Å; M480-I558 HydrophobicContact CG-CG2 4.43Å; M480-I558 HydrophobicContact SD-CB 4.21Å; M480-I558 HydrophobicContact SD-CD1 4.47Å; M480-I558 HydrophobicContact SD-CG2 3.7Å; A491-I558 HydrophobicContact CB-CD1 3.87Å; V508-I558 HydrophobicContact CG1-CD1 4Å; V508-I558 HydrophobicContact CG1-CG1 3.63Å; C554-I558 HydrophobicContact CB-CD1 4.48Å; C554-I558 WeakPolarHBondContact O-CD1 3.4Å; C554-I558 VanDerWaalsContact O-CG1 3.23Å; C554-I558 WeakPolarHBondContact O-CG1 3.49Å; D555-I558 PolarHBondContact O-N 3.08Å; Q556-I558 VanDerWaalsContact C-N 3.29Å; Q556-I558 PolarHBondContact O-N 2.86Å; I558-A562 HydrophobicContact CB-CB 4.32Å; I558-A562 HydrophobicContact CD1-CB 3.87Å; I558-A562 HydrophobicContact CG1-CB 3.62Å; I558-A562 HydrophobicContact CG2-CB 3.94Å; I558-K611 WeakPolarHBondContact O-CE 3.38Å; I558-K611 PolarHBondContact O-NZ 3.36Å
559	V	90.8	Very high	92.3	Very high	73 Å²	73	37.2 Å²	37.2	44%	0.442	20%	0.204	S	C	.	.	S	Bend	trans	-95.1	-61.5	170.4	-170.4	0	0	0	0	110.3	N610 K611	V559-N610 WeakPolarHBondContact CG1-ND2 3.49Å; V559-K611 VanDerWaalsContact O-CA 3.25Å; V559-K611 WeakPolarHBondContact O-CA 3.39Å; V559-K611 WeakPolarHBondContact O-CG 3.49Å
560	K	91	Very high	91	Very high	39 Å²	39	38.5 Å²	38.5	17%	0.17	21%	0.21	C	C	.	.	S	Bend	trans	-123.3	-65.9	-177.1	-65.8	-178.6	175.7	-160	0	111.4	E511 P614 L616	E511-K560 WeakPolarHBondContact OE1-CB 3.28Å; K560-P614 WeakPolarHBondContact CD-O 3.45Å; K560-P614 WeakPolarHBondContact CE-O 3.46Å; K560-P614 PolarHBondContact NZ-O 3.28Å; K560-L616 VanDerWaalsContact CE-O 3.27Å; K560-L616 WeakPolarHBondContact CE-O 3.22Å; K560-L616 PolarHBondContact NZ-O 3.04Å
561	T	94.8	Very high	89.7	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.037	25%	0.248	C	C	.	.			trans	-119.2	155.6	173.3	67.9	0	0	0	0	111.1	T477 T478 E511 L579	T477-T561 WeakPolarHBondContact O-CA 3.21Å; T477-T561 WeakPolarHBondContact O-CB 3.37Å; T478-T561 HydrophobicContact CG2-CG2 4.47Å; E511-T561 WeakPolarHBondContact CG-OG1 3.45Å; E511-T561 WeakPolarHBondContact OE1-CB 3.45Å; E511-T561 PolarHBondContact OE1-N 3.3Å; E511-T561 VanDerWaalsContact OE1-N 3.13Å; E511-T561 PolarHBondContact OE1-OG1 3.04Å; T561-L579 HydrophobicContact CG2-CD1 3.7Å; T561-L579 HydrophobicContact CG2-CD2 4.4Å; T561-L579 HydrophobicContact CG2-CG 3.61Å
562	A	96.4	Very high	89.1	Confident	3 Å²	3	53.9 Å²	53.9	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156.6	173.3	0	0	0	0	0	111.4	H476 T477 V508 L509 I558	H476-A562 PolarHBondContact ND1-O 3.35Å; T477-A562 PolarHBondContact N-O 2.82Å; T477-A562 PolarHBondContact O-N 3.11Å; T477-A562 VanDerWaalsContact O-N 3.1Å; T477-A562 PolarHBondContact OG1-N 3.15Å; T477-A562 PolarHBondContact OG1-O 2.88Å; T477-A562 VanDerWaalsContact OG1-O 3.07Å; V508-A562 HydrophobicContact CG1-CB 3.77Å; L509-A562 WeakPolarHBondContact O-CA 3.42Å; L509-A562 WeakPolarHBondContact O-CB 3.2Å; I558-A562 HydrophobicContact CB-CB 4.32Å; I558-A562 HydrophobicContact CD1-CB 3.87Å; I558-A562 HydrophobicContact CG1-CB 3.62Å; I558-A562 HydrophobicContact CG2-CB 3.94Å
563	T	96.9	Very high	88.7	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.4	169.3	-60.5	0	0	0	0	109	M474 C475 L509 I575 F576	M474-T563 HydrophobicContact CE-CG2 3.65Å; M474-T563 HydrophobicContact SD-CG2 4.47Å; C475-T563 CarbonylContact O-C 3.54Å; C475-T563 WeakPolarHBondContact O-CA 3.49Å; L509-T563 HydrophobicContact CD1-CG2 4.37Å; L509-T563 PolarHBondContact N-O 3.22Å; L509-T563 PolarHBondContact O-N 2.91Å; T563-I575 WeakPolarHBondContact OG1-CA 3.25Å; T563-F576 HydrophobicContact CG2-CD2 3.93Å; T563-F576 HydrophobicContact CG2-CE2 3.82Å; T563-F576 WeakPolarHBondContact OG1-CD2 3.4Å; T563-F576 PolarHBondContact OG1-N 3.41Å
564	I	96.4	Very high	88.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.8	176.1	-59	178.3	0	0	0	108.1	M474 C475 T477 V506 V508 I551	M474-I564 WeakPolarHBondContact CA-O 3.28Å; C475-I564 HydrophobicContact CB-CB 4.12Å; C475-I564 PolarHBondContact N-O 2.88Å; C475-I564 PolarHBondContact O-N 3.16Å; T477-I564 HydrophobicContact CG2-CD1 3.63Å; T477-I564 HydrophobicContact CG2-CG1 4.26Å; V506-I564 HydrophobicContact CB-CG2 3.66Å; V506-I564 HydrophobicContact CG1-CG2 4.02Å; V506-I564 HydrophobicContact CG2-CG2 3.88Å; V508-I564 HydrophobicContact CG2-CG1 4.35Å; I551-I564 HydrophobicContact CD1-CD1 3.54Å
565	T	95.6	Very high	88.7	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	174.9	-179.3	-169.3	0	0	0	0	111.3	L473 M474 K507 L509 N570 A573	L473-T565 WeakPolarHBondContact O-CA 3.42Å; L473-T565 PolarHBondContact O-OG1 2.98Å; M474-T565 PolarHBondContact SD-OG1 2.82Å; M474-T565 VanDerWaalsContact SD-OG1 3.41Å; K507-T565 HydrophobicContact CB-CG2 4.09Å; K507-T565 PolarHBondContact N-O 2.83Å; K507-T565 PolarHBondContact O-N 3.48Å; L509-T565 HydrophobicContact CD1-CG2 4.17Å; L509-T565 HydrophobicContact CG-CG2 4.29Å; T565-N570 PolarHBondContact OG1-ND2 2.69Å; T565-A573 HydrophobicContact CG2-CB 4.2Å
566	E	93.4	Very high	88.8	Confident	60 Å²	60	52.6 Å²	52.6	28%	0.28	27%	0.266	S	S	.	.			trans	-73.5	140.8	174.6	-53.8	-168.9	175.3	0	0	111.3	L473 R568	L473-E566 HydrophobicContact CB-CG 3.54Å; L473-E566 PolarHBondContact N-OE1 2.71Å; E566-R568 VanDerWaalsContact C-N 3.27Å; E566-R568 PolarHBondContact O-N 3.19Å
567	P	87.8	Confident	88.9	Confident	43 Å²	43	50.3 Å²	50.3	28%	0.279	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.9	-178.1	29.4	-35.1	0	0	0	113.8	P505 K507 I523	P505-P567 HydrophobicContact CB-CG 4.4Å; P505-P567 VanDerWaalsContact O-CD 3.27Å; P505-P567 WeakPolarHBondContact O-CD 3.35Å; K507-P567 HydrophobicContact CB-CB 4.27Å; I523-P567 HydrophobicContact CD1-CB 4.09Å; I523-P567 HydrophobicContact CG1-CB 4.26Å; I523-P567 HydrophobicContact CG2-CB 4.41Å
568	R	77.9	Confident	88.8	Confident	224 Å²	224	52 Å²	52	85%	0.845	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	113.7	-180	-63	-179.2	-177.7	174.6	0.8	108.2	E566	E566-R568 VanDerWaalsContact C-N 3.27Å; E566-R568 PolarHBondContact O-N 3.19Å
569	G	68.6	Low	88.8	Confident	62 Å²	62	52.7 Å²	52.7	64%	0.639	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	137.1	-31.5	178.2	0	0	0	0	0	114
570	N	71.9	Confident	88.8	Confident	26 Å²	26	51.9 Å²	51.9	14%	0.139	26%	0.256	C	S	.	.			trans	-115.9	56.6	-174.3	-59.8	-21.4	0	0	0	111.8	L460 T565 E572 A573	L460-N570 HydrophobicContact CD1-CB 4.47Å; T565-N570 PolarHBondContact OG1-ND2 2.69Å; N570-E572 PolarHBondContact O-N 3.22Å; N570-A573 HydrophobicContact CB-CB 3.92Å; N570-A573 VanDerWaalsContact O-CB 3.26Å; N570-A573 WeakPolarHBondContact O-CB 3.48Å; N570-A573 PolarHBondContact O-N 3Å
571	E	70.9	Confident	88.9	Confident	172 Å²	172	52.6 Å²	52.6	80%	0.804	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.5	-178.7	-66.8	176.9	-176.3	0	0	112.5
572	E	83.8	Confident	88.4	Confident	153 Å²	153	53.5 Å²	53.5	72%	0.715	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	12	176.3	-58.9	-176.1	176.2	0	0	113.3	N570 Q574	N570-E572 PolarHBondContact O-N 3.22Å; E572-Q574 PolarHBondContact O-N 3.34Å
573	A	88	Confident	88.1	Confident	1 Å²	1	54 Å²	54	1%	0.008	27%	0.266	C	S	.	.			trans	-63.7	127.1	176.2	0	0	0	0	0	110.8	L460 M474 L509 Y513 T565 N570	L460-A573 HydrophobicContact CD1-CB 3.94Å; M474-A573 HydrophobicContact SD-CB 4.42Å; L509-A573 HydrophobicContact CD1-CB 4.29Å; Y513-A573 WeakPolarHBondContact CE1-O 3.47Å; T565-A573 HydrophobicContact CG2-CB 4.2Å; N570-A573 HydrophobicContact CB-CB 3.92Å; N570-A573 VanDerWaalsContact O-CB 3.26Å; N570-A573 WeakPolarHBondContact O-CB 3.48Å; N570-A573 PolarHBondContact O-N 3Å
574	Q	92.1	Very high	87.8	Confident	55 Å²	55	55.6 Å²	55.6	26%	0.257	28%	0.28	S	S	.	.			trans	-105	178.8	170.9	-54.1	-171.5	13.1	0	0	110.8	Y452 T453 G454 L515 E572	Y452-Q574 HydrophobicContact CE2-CB 4.16Å; Y452-Q574 WeakPolarHBondContact CE2-O 3.45Å; Y452-Q574 PolarHBondContact OH-N 3.02Å; Y452-Q574 VanDerWaalsContact OH-N 3.12Å; T453-Q574 PolarHBondContact O-OE1 2.86Å; T453-Q574 WeakPolarHBondContact OG1-CB 3.4Å; T453-Q574 PolarHBondContact OG1-OE1 3.22Å; G454-Q574 VanDerWaalsContact CA-CD 3.44Å; G454-Q574 VanDerWaalsContact CA-OE1 3.25Å; G454-Q574 VanDerWaalsContact N-OE1 3.08Å; L515-Q574 HydrophobicContact CD1-CG 4.16Å; L515-Q574 HydrophobicContact CD2-CG 4.16Å; L515-Q574 HydrophobicContact CG-CG 4.08Å; E572-Q574 PolarHBondContact O-N 3.34Å
575	I	94.9	Very high	87.6	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.077	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-88.6	163.1	-179.5	61.7	172.6	0	0	0	112	T453 L509 G510 E511 Y513 T563	T453-I575 HydrophobicContact CG2-CG1 4.15Å; T453-I575 WeakPolarHBondContact CG2-O 3.14Å; T453-I575 PolarHBondContact N-O 3.28Å; T453-I575 VanDerWaalsContact N-O 3.17Å; T453-I575 PolarHBondContact OG1-O 2.74Å; L509-I575 HydrophobicContact CB-CG2 3.79Å; L509-I575 HydrophobicContact CD1-CG2 4.32Å; G510-I575 WeakPolarHBondContact O-CG2 3.41Å; E511-I575 VanDerWaalsContact O-CD1 3.27Å; E511-I575 WeakPolarHBondContact O-CD1 3.41Å; Y513-I575 HydrophobicContact CD1-CG2 3.92Å; Y513-I575 HydrophobicContact CG-CG2 4.32Å; T563-I575 WeakPolarHBondContact OG1-CA 3.25Å
576	F	95.6	Very high	87.5	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.013	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-78.2	146.5	158.3	-65.2	-75.9	0	0	0	108.6	I448 T451 Y452 M464 M474 H476 L496 T563	I448-F576 HydrophobicContact CD1-CE1 3.89Å; I448-F576 HydrophobicContact CD1-CZ 4.43Å; T451-F576 CarbonylContact O-C 3.48Å; T451-F576 WeakPolarHBondContact O-CA 3.48Å; Y452-F576 AromaticContact CD2-CD1 4Å; Y452-F576 HydrophobicContact CD2-CD1 4Å; Y452-F576 AromaticContact CD2-CE1 3.78Å; Y452-F576 HydrophobicContact CD2-CE1 3.78Å; Y452-F576 HydrophobicContact CD2-CZ 4.21Å; Y452-F576 HydrophobicContact CG-CE1 4.24Å; M464-F576 HydrophobicContact SD-CE1 4.18Å; M464-F576 HydrophobicContact SD-CZ 3.66Å; M474-F576 HydrophobicContact CE-CE2 4.27Å; M474-F576 HydrophobicContact CE-CZ 4.37Å; H476-F576 HydrophobicContact CB-CD2 3.49Å; H476-F576 VanDerWaalsContact CB-CD2 3.49Å; H476-F576 HydrophobicContact CB-CE2 3.71Å; H476-F576 HydrophobicContact CB-CG 4.12Å; H476-F576 HydrophobicContact CB-CZ 4.48Å; H476-F576 AromaticContact CG-CD2 3.54Å; H476-F576 AromaticContact CG-CG 3.8Å; H476-F576 AromaticContact ND1-CD2 3.74Å; L496-F576 HydrophobicContact CD1-CD1 4.46Å; L496-F576 HydrophobicContact CD1-CE1 3.57Å; L496-F576 HydrophobicContact CD1-CE2 3.76Å; L496-F576 HydrophobicContact CD1-CZ 3.16Å; T563-F576 HydrophobicContact CG2-CD2 3.93Å; T563-F576 HydrophobicContact CG2-CE2 3.82Å; T563-F576 WeakPolarHBondContact OG1-CD2 3.4Å; T563-F576 PolarHBondContact OG1-N 3.41Å
577	R	92.7	Very high	87.6	Confident	92 Å²	92	53.7 Å²	53.7	35%	0.347	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-55.3	139.2	176.1	-68.5	178.7	-174.4	163.9	4.4	109.4	R219 H450 T451 T453	R219-R577 PolarHBondContact NH1-O 2.84Å; H450-R577 WeakPolarHBondContact O-CD 3.37Å; H450-R577 PolarHBondContact O-NH1 3.17Å; T451-R577 WeakPolarHBondContact O-CG 3.21Å; T451-R577 PolarHBondContact O-N 3.48Å; T453-R577 HydrophobicContact CG2-CG 3.78Å
578	P	92.9	Very high	88	Confident	60 Å²	60	51.8 Å²	51.8	39%	0.39	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-53.4	162	170.9	-26.6	34.9	0	0	0	112.6	R219 E511 K580	R219-P578 PolarHBondContact NH1-O 3.04Å; E511-P578 HydrophobicContact CB-CG 4.4Å; E511-P578 HydrophobicContact CG-CG 4.4Å; P578-K580 PolarHBondContact O-N 3.25Å
579	L	93.2	Very high	88.8	Confident	16 Å²	16	41.4 Å²	41.4	8%	0.084	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-69.2	122.5	179.6	-64.4	174.6	0	0	0	110.6	T215 R219 T478 T561 F581 P614	T215-L579 HydrophobicContact CG2-CB 4.13Å; T215-L579 HydrophobicContact CG2-CD2 4.38Å; R219-L579 HydrophobicContact CB-CD2 3.69Å; R219-L579 HydrophobicContact CG-CD2 3.81Å; T478-L579 HydrophobicContact CG2-CD2 4.27Å; T561-L579 HydrophobicContact CG2-CD1 3.7Å; T561-L579 HydrophobicContact CG2-CD2 4.4Å; T561-L579 HydrophobicContact CG2-CG 3.61Å; L579-F581 HydrophobicContact CB-CD1 4.43Å; L579-F581 HydrophobicContact CB-CE1 3.81Å; L579-F581 HydrophobicContact CB-CE2 4.31Å; L579-F581 HydrophobicContact CB-CZ 3.74Å; L579-F581 HydrophobicContact CD1-CE1 4.03Å; L579-F581 HydrophobicContact CD1-CZ 4.11Å; L579-F581 PolarHBondContact O-N 3.29Å; L579-P614 HydrophobicContact CD1-CB 4.42Å
580	K	91	Very high	90.1	Very high	55 Å²	55	38.8 Å²	38.8	24%	0.239	19%	0.194	C	C	.	.			trans	-88.3	100.4	171.9	-174.1	-178.1	-174	178	0	109.2	T215 H244 P578 E700 N701 E702	T215-K580 WeakPolarHBondContact CG2-O 3.16Å; H244-K580 PolarHBondContact CE1-O 3.48Å; P578-K580 PolarHBondContact O-N 3.25Å; K580-E700 PolarHBondContact NZ-O 2.7Å; K580-N701 PolarHBondContact NZ-O 3.19Å; K580-E702 VanDerWaalsContact NZ-CG 3.25Å; K580-E702 IonicContact NZ-OE1 3.35Å; K580-E702 IonicContact NZ-OE2 2.65Å; K580-E702 PolarHBondContact NZ-OE2 3.36Å
581	F	92.3	Very high	91.2	Very high	54 Å²	54	37.6 Å²	37.6	24%	0.237	19%	0.188	C	C	.	.			trans	-72.6	148.9	-178.2	-59.5	-64.7	0	0	0	112.7	D212 T215 L579 T583 P614	D212-F581 HydrophobicContact CB-CD1 3.68Å; D212-F581 HydrophobicContact CB-CE1 3.76Å; T215-F581 HydrophobicContact CG2-CD1 3.93Å; T215-F581 HydrophobicContact CG2-CE1 4.31Å; L579-F581 HydrophobicContact CB-CD1 4.43Å; L579-F581 HydrophobicContact CB-CE1 3.81Å; L579-F581 HydrophobicContact CB-CE2 4.31Å; L579-F581 HydrophobicContact CB-CZ 3.74Å; L579-F581 HydrophobicContact CD1-CE1 4.03Å; L579-F581 HydrophobicContact CD1-CZ 4.11Å; L579-F581 PolarHBondContact O-N 3.29Å; F581-T583 WeakPolarHBondContact CB-O 3.27Å; F581-T583 PolarHBondContact O-N 3.13Å; F581-P614 HydrophobicContact CE1-CB 3.7Å; F581-P614 HydrophobicContact CZ-CB 3.65Å; F581-P614 WeakPolarHBondContact CZ-O 3.5Å
582	N	84.9	Confident	92.3	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.139	17%	0.168	C	C	.	.	S	Bend	trans	-73.5	-16.3	176.1	-164	3.1	0	0	0	112.7	R240 H244	R240-N582 VanDerWaalsContact NH2-C 3.33Å; R240-N582 PolarHBondContact NH2-O 3.48Å; R240-N582 PolarHBondContact NH2-OD1 3.48Å; R240-N582 PolarHBondContact O-ND2 3.12Å; H244-N582 HydrophobicContact CB-CB 4.49Å
583	T	89.6	Confident	92.9	Very high	12 Å²	12	26.5 Å²	26.5	7%	0.074	14%	0.137	C	C	.	.	S	Bend	trans	-131.2	160.2	-178.1	-170.1	0	0	0	0	110.2	S211 F581 T631	S211-T583 WeakPolarHBondContact OG-CG2 3.34Å; F581-T583 WeakPolarHBondContact CB-O 3.27Å; F581-T583 PolarHBondContact O-N 3.13Å; T583-T631 HydrophobicContact CG2-CG2 3.59Å
584	A	89.4	Confident	93.2	Very high	36 Å²	36	29.4 Å²	29.4	30%	0.298	15%	0.154	S	C	.	.			trans	-97.3	149.7	169	0	0	0	0	0	110.6	V586 F900	A584-V586 HydrophobicContact CB-CG2 4.27Å; A584-V586 WeakPolarHBondContact O-CG2 3.47Å; A584-V586 PolarHBondContact O-N 2.63Å; A584-F900 HydrophobicContact CB-CD1 3.75Å; A584-F900 HydrophobicContact CB-CE1 3.95Å; A584-F900 HydrophobicContact CB-CG 4.26Å
585	S	93.6	Very high	93.3	Very high	20 Å²	20	30.7 Å²	30.7	14%	0.14	16%	0.163	C	C	.	.			trans	-85.1	102.5	169.5	-76.1	0	0	0	0	109.3	S615 G630	S585-S615 PolarHBondContact OG-O 3.32Å; S585-S615 PolarHBondContact OG-OG 2.96Å; S585-G630 CarbonylContact C-O 3.51Å; S585-G630 WeakPolarHBondContact CA-O 3.26Å
586	V	93.8	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.			trans	-115.5	-24.6	-167.8	-125.3	0	0	0	0	113.5	A584 G630 V659 T660 P829 Y831 F900 W903	A584-V586 HydrophobicContact CB-CG2 4.27Å; A584-V586 WeakPolarHBondContact O-CG2 3.47Å; A584-V586 PolarHBondContact O-N 2.63Å; V586-G630 PolarHBondContact N-O 2.83Å; V586-V659 CarbonylContact O-C 3.54Å; V586-V659 VanDerWaalsContact O-CA 3.28Å; V586-V659 WeakPolarHBondContact O-CA 3.42Å; V586-T660 WeakPolarHBondContact CG1-OG1 3.39Å; V586-T660 PolarHBondContact O-N 3.31Å; V586-T660 PolarHBondContact O-OG1 2.95Å; V586-P829 HydrophobicContact CB-CB 4.33Å; V586-P829 HydrophobicContact CB-CG 4.33Å; V586-P829 HydrophobicContact CG1-CB 3.5Å; V586-P829 HydrophobicContact CG1-CG 3.58Å; V586-Y831 HydrophobicContact CG2-CE1 4.03Å; V586-F900 HydrophobicContact CG1-CD2 4.42Å; V586-F900 HydrophobicContact CG2-CB 3.87Å; V586-F900 HydrophobicContact CG2-CD2 3.64Å; V586-F900 HydrophobicContact CG2-CE2 4.44Å; V586-F900 HydrophobicContact CG2-CG 3.82Å; V586-W903 HydrophobicContact CG1-CH2 3.53Å; V586-W903 HydrophobicContact CG1-CZ2 3.91Å; V586-W903 HydrophobicContact CG1-CZ3 4.34Å
587	I	95.5	Very high	93.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	129.2	175.2	-53.1	-46.9	0	0	0	108.3	L629 G630 L636 P657 V659 Y831 A876 F880	I587-L629 CarbonylContact O-C 3.47Å; I587-L629 VanDerWaalsContact O-CA 3.25Å; I587-L629 WeakPolarHBondContact O-CA 3.47Å; I587-G630 PolarHBondContact N-O 3.47Å; I587-G630 PolarHBondContact O-N 3.36Å; I587-L636 HydrophobicContact CB-CD1 3.76Å; I587-L636 HydrophobicContact CG2-CD1 3.42Å; I587-L636 VanDerWaalsContact CG2-CD1 3.42Å; I587-P657 HydrophobicContact CG2-CB 4.03Å; I587-V659 HydrophobicContact CD1-CG1 3.99Å; I587-Y831 HydrophobicContact CD1-CE2 4.2Å; I587-Y831 WeakPolarHBondContact CD1-OH 3Å; I587-Y831 WeakPolarHBondContact CG1-OH 3.38Å; I587-A876 HydrophobicContact CD1-CB 4.24Å; I587-F880 HydrophobicContact CD1-CE1 3.62Å; I587-F880 HydrophobicContact CD1-CZ 3.87Å; I587-F880 HydrophobicContact CG1-CE1 4.14Å; I587-F880 HydrophobicContact CG2-CE1 3.64Å; I587-F880 HydrophobicContact CG2-CZ 3.95Å
588	K	95.1	Very high	93.3	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122	-176.6	177.1	178.5	166	173.7	0	109.3	E621 V627 I628 L629 V658 T660	K588-E621 IonicContact NZ-OE1 2.97Å; K588-E621 PolarHBondContact NZ-OE1 2.6Å; K588-E621 IonicContact NZ-OE2 2.79Å; K588-E621 PolarHBondContact NZ-OE2 3.35Å; K588-V627 HydrophobicContact CD-CG1 3.85Å; K588-V627 HydrophobicContact CG-CG1 3.44Å; K588-V627 VanDerWaalsContact CG-CG1 3.44Å; K588-I628 WeakPolarHBondContact CA-O 3.36Å; K588-L629 HydrophobicContact CB-CD2 3.6Å; K588-L629 HydrophobicContact CD-CD2 4.37Å; K588-L629 HydrophobicContact CG-CD2 3.79Å; K588-V658 HydrophobicContact CB-CG2 3.82Å; K588-V658 HydrophobicContact CD-CG2 3.93Å; K588-V658 HydrophobicContact CG-CG2 3.94Å; K588-V658 PolarHBondContact N-O 2.63Å; K588-V658 PolarHBondContact O-N 2.66Å; K588-T660 HydrophobicContact CB-CG2 4.38Å
589	I	95.6	Very high	93.4	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.5	169.3	58.7	173.9	0	0	0	109.7	V591 V627 I628 L636 M640 V654 P657	I589-V591 HydrophobicContact CD1-CG1 4.21Å; I589-V591 HydrophobicContact CG1-CG1 4.31Å; I589-V627 WeakPolarHBondContact O-CA 3.47Å; I589-I628 HydrophobicContact CD1-CB 4.18Å; I589-I628 HydrophobicContact CD1-CD1 4.27Å; I589-I628 HydrophobicContact CG1-CB 3.74Å; I589-I628 HydrophobicContact CG1-CG1 4.44Å; I589-I628 PolarHBondContact N-O 3.03Å; I589-I628 PolarHBondContact O-N 3.04Å; I589-L636 HydrophobicContact CD1-CB 4.33Å; I589-L636 HydrophobicContact CD1-CD1 4.29Å; I589-L636 HydrophobicContact CD1-CD2 4.04Å; I589-L636 HydrophobicContact CD1-CG 4.46Å; I589-L636 HydrophobicContact CG1-CD1 4.25Å; I589-L636 HydrophobicContact CG1-CD2 4.33Å; I589-L636 HydrophobicContact CG2-CD1 3.91Å; I589-M640 HydrophobicContact CD1-CG 3.72Å; I589-M640 HydrophobicContact CD1-SD 3.63Å; I589-V654 HydrophobicContact CB-CG1 4.36Å; I589-V654 HydrophobicContact CD1-CG1 4.48Å; I589-P657 HydrophobicContact CG2-CB 3.97Å; I589-P657 HydrophobicContact CG2-CG 3.98Å
590	A	94.7	Very high	93.5	Very high	7 Å²	7	41.1 Å²	41.1	6%	0.058	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	137	170.1	0	0	0	0	0	109.1	H626 A655	A590-H626 CarbonylContact C-O 3.55Å; A590-H626 WeakPolarHBondContact CA-O 3.27Å; A590-A655 HydrophobicContact CB-CB 3.95Å; A590-A655 PolarHBondContact O-N 3.07Å
591	V	96	Very high	93.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.4	-174.6	-58.5	0	0	0	0	111.1	I589 M602 L606 H626 I628 M640 I652 K653 V654	I589-V591 HydrophobicContact CD1-CG1 4.21Å; I589-V591 HydrophobicContact CG1-CG1 4.31Å; V591-M602 HydrophobicContact CG2-CE 4.46Å; V591-L606 HydrophobicContact CG2-CD1 4.47Å; V591-L606 HydrophobicContact CG2-CD2 4.28Å; V591-H626 HydrophobicContact CG2-CB 3.9Å; V591-H626 PolarHBondContact N-O 3.17Å; V591-H626 WeakPolarHBondContact O-CB 3.37Å; V591-I628 HydrophobicContact CG1-CD1 3.87Å; V591-I628 HydrophobicContact CG1-CG1 4.29Å; V591-I628 HydrophobicContact CG2-CD1 4Å; V591-I628 HydrophobicContact CG2-CG1 4.07Å; V591-M640 HydrophobicContact CG1-CE 4.18Å; V591-M640 HydrophobicContact CG1-SD 3.88Å; V591-I652 HydrophobicContact CB-CG2 4.02Å; V591-K653 WeakPolarHBondContact CA-O 3.41Å; V591-V654 HydrophobicContact CG1-CG2 4.2Å
592	E	94.3	Very high	93.8	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.379	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.6	177.7	-68	-176.7	171.9	0	0	110.1	I652 K653	E592-I652 CarbonylContact O-C 3.57Å; E592-I652 WeakPolarHBondContact O-CA 3.4Å; E592-I652 WeakPolarHBondContact O-CG2 3.45Å; E592-K653 PolarHBondContact N-O 3.2Å; E592-K653 PolarHBondContact O-N 3.42Å
593	P	96	Very high	94.3	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.071	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	148.5	173.5	33.3	-34.9	0	0	0	109.6	N595 L599 M602 I650 K653	P593-N595 VanDerWaalsContact C-N 3.29Å; P593-N595 WeakPolarHBondContact CB-O 3.28Å; P593-L599 HydrophobicContact CG-CB 4.35Å; P593-L599 HydrophobicContact CG-CD1 4.1Å; P593-M602 HydrophobicContact CB-SD 4.25Å; P593-M602 VanDerWaalsContact CD-SD 3.55Å; P593-M602 HydrophobicContact CG-SD 4.37Å; P593-I650 HydrophobicContact CB-CD1 4.22Å; P593-K653 WeakPolarHBondContact O-CE 3.38Å
594	V	95.1	Very high	94.6	Very high	62 Å²	62	44.8 Å²	44.8	38%	0.376	26%	0.259	S	S	.	.	S	Bend	trans	-61.8	-45	171.6	173.5	0	0	0	0	110.1	D651 K653	V594-D651 HydrophobicContact CB-CB 4.04Å; V594-D651 HydrophobicContact CG2-CB 3.68Å; V594-D651 WeakPolarHBondContact CG2-O 3.49Å; V594-D651 PolarHBondContact N-O 3.18Å; V594-K653 HydrophobicContact CG2-CG 3.73Å
595	N	93.9	Very high	94.9	Very high	81 Å²	81	43 Å²	43	43%	0.433	24%	0.244	S	C	.	.	S	Bend	trans	-100.9	113.2	176	-61.8	-42.1	0	0	0	110.1	P593 S597 E598	P593-N595 VanDerWaalsContact C-N 3.29Å; P593-N595 WeakPolarHBondContact CB-O 3.28Å; N595-S597 PolarHBondContact O-N 2.88Å; N595-S597 VanDerWaalsContact O-N 3.14Å; N595-E598 HydrophobicContact CB-CG 4.14Å; N595-E598 PolarHBondContact O-N 3.35Å
596	P	94.3	Very high	95	Very high	104 Å²	104	42.5 Å²	42.5	68%	0.675	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-59.2	-26.6	-178.9	-27.2	36.1	0	0	0	114.6	E598 L599	P596-E598 PolarHBondContact O-N 2.98Å; P596-L599 VanDerWaalsContact O-CB 3.28Å; P596-L599 WeakPolarHBondContact O-CB 3.23Å; P596-L599 PolarHBondContact O-N 3.12Å
597	S	94.3	Very high	95.1	Very high	106 Å²	106	50.2 Å²	50.2	74%	0.741	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.2	175.6	55.1	0	0	0	0	113.5	N595	N595-S597 PolarHBondContact O-N 2.88Å; N595-S597 VanDerWaalsContact O-N 3.14Å
598	E	94.4	Very high	95.1	Very high	44 Å²	44	51.6 Å²	51.6	21%	0.206	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-93.8	7.4	-179.7	-56.9	-162.7	112.1	0	0	113.7	N595 P596 P600 K601 M602 I650	N595-E598 HydrophobicContact CB-CG 4.14Å; N595-E598 PolarHBondContact O-N 3.35Å; P596-E598 PolarHBondContact O-N 2.98Å; E598-P600 VanDerWaalsContact C-CD 3.4Å; E598-P600 VanDerWaalsContact C-N 3.31Å; E598-K601 WeakPolarHBondContact O-CB 3.25Å; E598-K601 PolarHBondContact O-N 2.81Å; E598-K601 IonicContact OE1-NZ 3.61Å; E598-K601 PolarHBondContact OE1-NZ 2.92Å; E598-M602 PolarHBondContact O-N 2.94Å; E598-I650 HydrophobicContact CB-CG2 4.16Å
599	L	93.9	Very high	95.1	Very high	59 Å²	59	51.4 Å²	51.4	31%	0.309	27%	0.274	S	S	.	.	H	α-helix	trans	-50.3	-42	178.5	-175.5	64.7	0	0	0	113.9	P593 P596 K601 M602 L603	P593-L599 HydrophobicContact CG-CB 4.35Å; P593-L599 HydrophobicContact CG-CD1 4.1Å; P596-L599 VanDerWaalsContact O-CB 3.28Å; P596-L599 WeakPolarHBondContact O-CB 3.23Å; P596-L599 PolarHBondContact O-N 3.12Å; L599-K601 VanDerWaalsContact C-N 3.3Å; L599-K601 PolarHBondContact O-N 3.02Å; L599-M602 HydrophobicContact CD1-CE 3.77Å; L599-M602 WeakPolarHBondContact O-CB 3.33Å; L599-M602 PolarHBondContact O-N 3.49Å; L599-M602 VanDerWaalsContact O-N 3.12Å; L599-L603 HydrophobicContact CD1-CG 4.45Å; L599-L603 HydrophobicContact CG-CD1 4.24Å; L599-L603 HydrophobicContact CG-CG 4.37Å; L599-L603 WeakPolarHBondContact O-CG 3.33Å; L599-L603 PolarHBondContact O-N 3.01Å
600	P	95.8	Very high	95.1	Very high	92 Å²	92	52.3 Å²	52.3	60%	0.597	28%	0.279	S	S	*	.	H	α-helix	trans	-60.2	-36	177.4	-25.1	36	0	0	0	113.9	E598 L603 D604	E598-P600 VanDerWaalsContact C-CD 3.4Å; E598-P600 VanDerWaalsContact C-N 3.31Å; P600-L603 PolarHBondContact O-N 3.2Å; P600-D604 PolarHBondContact O-N 3.22Å
601	K	94.8	Very high	95.1	Very high	109 Å²	109	53.5 Å²	53.5	47%	0.474	28%	0.283	S	S	.	.	H	α-helix	trans	-68.8	-39.1	176.2	-60.9	179.8	-172.6	167.4	0	111	E598 L599 D604 G605 I650	E598-K601 WeakPolarHBondContact O-CB 3.25Å; E598-K601 PolarHBondContact O-N 2.81Å; E598-K601 IonicContact OE1-NZ 3.61Å; E598-K601 PolarHBondContact OE1-NZ 2.92Å; L599-K601 VanDerWaalsContact C-N 3.3Å; L599-K601 PolarHBondContact O-N 3.02Å; K601-D604 PolarHBondContact O-N 3.38Å; K601-G605 PolarHBondContact O-N 3.44Å; K601-I650 HydrophobicContact CB-CG2 4.26Å; K601-I650 HydrophobicContact CD-CG2 3.91Å
602	M	95.4	Very high	95.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-45.5	174.6	-164.6	179.8	76.1	0	0	111	V591 P593 E598 L599 D604 G605 L606 H626 I650 I652	V591-M602 HydrophobicContact CG2-CE 4.46Å; P593-M602 HydrophobicContact CB-SD 4.25Å; P593-M602 VanDerWaalsContact CD-SD 3.55Å; P593-M602 HydrophobicContact CG-SD 4.37Å; E598-M602 PolarHBondContact O-N 2.94Å; L599-M602 HydrophobicContact CD1-CE 3.77Å; L599-M602 WeakPolarHBondContact O-CB 3.33Å; L599-M602 PolarHBondContact O-N 3.49Å; L599-M602 VanDerWaalsContact O-N 3.12Å; M602-D604 PolarHBondContact O-N 3.18Å; M602-G605 CarbonylContact O-C 3.57Å; M602-G605 WeakPolarHBondContact O-CA 3.47Å; M602-G605 PolarHBondContact O-N 2.78Å; M602-L606 HydrophobicContact CE-CD1 4.09Å; M602-L606 HydrophobicContact CG-CD1 4.41Å; M602-L606 HydrophobicContact CG-CG 4.48Å; M602-L606 WeakPolarHBondContact O-CB 3.23Å; M602-L606 WeakPolarHBondContact O-CG 3.3Å; M602-L606 PolarHBondContact O-N 3.47Å; M602-H626 HydrophobicContact CE-CB 4.09Å; M602-H626 WeakPolarHBondContact CE-CD2 3.38Å; M602-I650 HydrophobicContact CB-CD1 3.57Å; M602-I650 HydrophobicContact CG-CD1 4.07Å; M602-I652 HydrophobicContact CG-CD1 4.21Å; M602-I652 HydrophobicContact SD-CG2 4.32Å
603	L	95.2	Very high	95.2	Very high	52 Å²	52	50 Å²	50	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-41.3	178.9	-71	177	0	0	0	112.3	L599 P600 L606 R607 H626	L599-L603 HydrophobicContact CD1-CG 4.45Å; L599-L603 HydrophobicContact CG-CD1 4.24Å; L599-L603 HydrophobicContact CG-CG 4.37Å; L599-L603 WeakPolarHBondContact O-CG 3.33Å; L599-L603 PolarHBondContact O-N 3.01Å; P600-L603 PolarHBondContact O-N 3.2Å; L603-L606 HydrophobicContact CD2-CD1 4.39Å; L603-L606 PolarHBondContact O-N 3.38Å; L603-R607 WeakPolarHBondContact O-CG 3.45Å; L603-R607 PolarHBondContact O-N 3.02Å; L603-H626 VanDerWaalsContact CD2-CE1 3.42Å; L603-H626 WeakPolarHBondContact CD2-CE1 3.44Å
604	D	94.9	Very high	95.1	Very high	63 Å²	63	49.7 Å²	49.7	34%	0.337	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-46.9	171.7	-176.7	62.5	0	0	0	111.3	P600 K601 M602 L606 R607 K608	P600-D604 PolarHBondContact O-N 3.22Å; K601-D604 PolarHBondContact O-N 3.38Å; M602-D604 PolarHBondContact O-N 3.18Å; D604-L606 VanDerWaalsContact C-N 3.33Å; D604-L606 PolarHBondContact O-N 3.48Å; D604-R607 WeakPolarHBondContact O-CB 3.36Å; D604-R607 PolarHBondContact O-N 2.95Å; D604-K608 WeakPolarHBondContact O-CG 3.33Å; D604-K608 PolarHBondContact O-N 3.11Å; D604-K608 WeakPolarHBondContact OD2-CE 3.5Å; D604-K608 IonicContact OD2-NZ 2.71Å; D604-K608 PolarHBondContact OD2-NZ 2.99Å
605	G	95.6	Very high	95.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-57.9	-42.2	174.6	0	0	0	0	0	113.3	K601 M602 K608 V609	K601-G605 PolarHBondContact O-N 3.44Å; M602-G605 CarbonylContact O-C 3.57Å; M602-G605 WeakPolarHBondContact O-CA 3.47Å; M602-G605 PolarHBondContact O-N 2.78Å; G605-K608 PolarHBondContact O-N 3.12Å; G605-V609 PolarHBondContact O-N 2.76Å
606	L	96.5	Very high	95.2	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-42.4	176.5	-76.3	175.1	0	0	0	111.6	V591 M602 L603 D604 K608 V609 N610 T618 H626 I628 L643	V591-L606 HydrophobicContact CG2-CD1 4.47Å; V591-L606 HydrophobicContact CG2-CD2 4.28Å; M602-L606 HydrophobicContact CE-CD1 4.09Å; M602-L606 HydrophobicContact CG-CD1 4.41Å; M602-L606 HydrophobicContact CG-CG 4.48Å; M602-L606 WeakPolarHBondContact O-CB 3.23Å; M602-L606 WeakPolarHBondContact O-CG 3.3Å; M602-L606 PolarHBondContact O-N 3.47Å; L603-L606 HydrophobicContact CD2-CD1 4.39Å; L603-L606 PolarHBondContact O-N 3.38Å; D604-L606 VanDerWaalsContact C-N 3.33Å; D604-L606 PolarHBondContact O-N 3.48Å; L606-K608 VanDerWaalsContact C-N 3.32Å; L606-K608 PolarHBondContact O-N 3.01Å; L606-V609 HydrophobicContact CD2-CG2 4.48Å; L606-V609 WeakPolarHBondContact O-CG2 3.42Å; L606-N610 WeakPolarHBondContact O-CB 3.36Å; L606-N610 PolarHBondContact O-N 2.88Å; L606-T618 HydrophobicContact CB-CG2 4.4Å; L606-T618 HydrophobicContact CD2-CG2 4.09Å; L606-H626 HydrophobicContact CD1-CB 4.07Å; L606-I628 HydrophobicContact CD2-CD1 3.6Å; L606-I628 HydrophobicContact CD2-CG1 3.89Å; L606-L643 HydrophobicContact CD2-CD1 4.32Å; L606-L643 HydrophobicContact CD2-CD2 3.81Å; L606-L643 HydrophobicContact CG-CD1 4.37Å; L606-L643 HydrophobicContact CG-CD2 4.48Å
607	R	95.1	Very high	95.2	Very high	162 Å²	162	41 Å²	41	61%	0.611	21%	0.213	S	C	*	.	H	α-helix	trans	-62.2	-40.9	174	-69.9	171.6	-173.6	158.1	1.4	111.4	L603 D604 N610 K611	L603-R607 WeakPolarHBondContact O-CG 3.45Å; L603-R607 PolarHBondContact O-N 3.02Å; D604-R607 WeakPolarHBondContact O-CB 3.36Å; D604-R607 PolarHBondContact O-N 2.95Å; R607-N610 PolarHBondContact O-N 3.12Å; R607-K611 WeakPolarHBondContact O-CG 3.44Å; R607-K611 PolarHBondContact O-N 3.5Å; R607-K611 VanDerWaalsContact O-N 3.12Å
608	K	95.6	Very high	95.3	Very high	31 Å²	31	37.9 Å²	37.9	14%	0.135	19%	0.19	C	C	.	.	H	α-helix	trans	-67	-43	179.5	-69.8	177.9	172.5	160.5	0	112.9	F489 D604 G605 L606 N610 K611 S612 Y647	F489-K608 HydrophobicContact CE2-CB 3.89Å; F489-K608 HydrophobicContact CE2-CD 4.24Å; F489-K608 HydrophobicContact CE2-CG 3.74Å; F489-K608 HydrophobicContact CZ-CB 3.85Å; F489-K608 HydrophobicContact CZ-CG 4.24Å; D604-K608 WeakPolarHBondContact O-CG 3.33Å; D604-K608 PolarHBondContact O-N 3.11Å; D604-K608 WeakPolarHBondContact OD2-CE 3.5Å; D604-K608 IonicContact OD2-NZ 2.71Å; D604-K608 PolarHBondContact OD2-NZ 2.99Å; G605-K608 PolarHBondContact O-N 3.12Å; L606-K608 VanDerWaalsContact C-N 3.32Å; L606-K608 PolarHBondContact O-N 3.01Å; K608-N610 VanDerWaalsContact C-N 3.31Å; K608-N610 PolarHBondContact O-N 3.15Å; K608-K611 PolarHBondContact O-N 2.89Å; K608-S612 PolarHBondContact O-N 3.42Å; K608-Y647 HydrophobicContact CB-CD1 3.81Å; K608-Y647 HydrophobicContact CB-CD2 4Å; K608-Y647 HydrophobicContact CB-CE1 4.1Å; K608-Y647 HydrophobicContact CB-CE2 4.28Å; K608-Y647 HydrophobicContact CB-CG 3.75Å; K608-Y647 HydrophobicContact CD-CD1 3.65Å; K608-Y647 HydrophobicContact CD-CE1 4.4Å; K608-Y647 HydrophobicContact CD-CG 4Å; K608-Y647 HydrophobicContact CG-CD1 4.33Å
609	V	96.1	Very high	95.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-34.5	173.8	-65.1	0	0	0	0	112.1	G605 L606 K611 S612 Y613 L616 V639 D642 L643 Y647	G605-V609 PolarHBondContact O-N 2.76Å; L606-V609 HydrophobicContact CD2-CG2 4.48Å; L606-V609 WeakPolarHBondContact O-CG2 3.42Å; V609-K611 PolarHBondContact O-N 2.81Å; V609-S612 PolarHBondContact O-N 3.01Å; V609-Y613 HydrophobicContact CB-CD2 4.4Å; V609-Y613 PolarHBondContact O-N 2.89Å; V609-L616 HydrophobicContact CB-CD2 3.79Å; V609-L616 HydrophobicContact CG2-CD2 3.56Å; V609-V639 HydrophobicContact CB-CG1 4.2Å; V609-V639 HydrophobicContact CG1-CG1 4.39Å; V609-V639 HydrophobicContact CG2-CG1 4.29Å; V609-D642 HydrophobicContact CG1-CB 4.44Å; V609-L643 HydrophobicContact CG1-CB 4.03Å; V609-L643 HydrophobicContact CG1-CD1 4.43Å; V609-Y647 HydrophobicContact CG1-CD2 3.56Å; V609-Y647 HydrophobicContact CG1-CE2 3.67Å
610	N	95.5	Very high	95.1	Very high	24 Å²	24	40.5 Å²	40.5	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-28.1	175.5	-160.8	36.2	0	0	0	112.3	V559 L606 R607 K608 L616 T618	V559-N610 WeakPolarHBondContact CG1-ND2 3.49Å; L606-N610 WeakPolarHBondContact O-CB 3.36Å; L606-N610 PolarHBondContact O-N 2.88Å; R607-N610 PolarHBondContact O-N 3.12Å; K608-N610 VanDerWaalsContact C-N 3.31Å; K608-N610 PolarHBondContact O-N 3.15Å; N610-L616 PolarHBondContact OD1-O 3.39Å; N610-T618 HydrophobicContact CB-CG2 4.31Å
611	K	94.9	Very high	94.8	Very high	33 Å²	33	37 Å²	37	14%	0.143	18%	0.182	C	C	.	.	H	α-helix	trans	-75.5	-41.7	169.9	-66.4	-177.2	-175.9	-157.6	0	113.2	M480 F489 D555 Q556 I558 V559 R607 K608 V609	M480-K611 HydrophobicContact CB-CB 4.17Å; M480-K611 WeakPolarHBondContact CB-O 3.37Å; M480-K611 HydrophobicContact CG-CB 4.2Å; F489-K611 HydrophobicContact CD1-CB 4.49Å; F489-K611 HydrophobicContact CE1-CB 4.34Å; D555-K611 PolarHBondContact O-NZ 3.47Å; Q556-K611 PolarHBondContact O-NZ 3.48Å; I558-K611 WeakPolarHBondContact O-CE 3.38Å; I558-K611 PolarHBondContact O-NZ 3.36Å; V559-K611 VanDerWaalsContact O-CA 3.25Å; V559-K611 WeakPolarHBondContact O-CA 3.39Å; V559-K611 WeakPolarHBondContact O-CG 3.49Å; R607-K611 WeakPolarHBondContact O-CG 3.44Å; R607-K611 PolarHBondContact O-N 3.5Å; R607-K611 VanDerWaalsContact O-N 3.12Å; K608-K611 PolarHBondContact O-N 2.89Å; V609-K611 PolarHBondContact O-N 2.81Å
612	S	95.1	Very high	94.3	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-70.9	-35.9	-174.9	-175.5	0	0	0	0	113.3	K181 K479 K608 V609	K181-S612 WeakPolarHBondContact CE-OG 3.25Å; K181-S612 PolarHBondContact NZ-O 3.44Å; K181-S612 PolarHBondContact NZ-OG 3.08Å; K479-S612 PolarHBondContact NZ-O 3.16Å; K479-S612 VanDerWaalsContact NZ-O 3.12Å; K608-S612 PolarHBondContact O-N 3.42Å; V609-S612 PolarHBondContact O-N 3.01Å
613	Y	96.6	Very high	93.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.			trans	-112.9	109.8	-172.4	-74.5	-87.8	0	0	0	111.3	I180 K181 F210 V609 S615 L616 Y635 V639 D642	I180-Y613 HydrophobicContact CG2-CE1 4.17Å; K181-Y613 VanDerWaalsContact NZ-CD2 3.28Å; K181-Y613 VanDerWaalsContact NZ-CE2 3.27Å; F210-Y613 HydrophobicContact CE1-CE1 4.29Å; V609-Y613 HydrophobicContact CB-CD2 4.4Å; V609-Y613 PolarHBondContact O-N 2.89Å; Y613-S615 PolarHBondContact O-N 3.09Å; Y613-L616 WeakPolarHBondContact O-CB 3.41Å; Y613-L616 PolarHBondContact O-N 2.75Å; Y613-Y635 WeakPolarHBondContact CB-OH 3.39Å; Y613-Y635 HydrophobicContact CD1-CE1 4.4Å; Y613-Y635 AromaticContact CD1-CE2 3.83Å; Y613-Y635 HydrophobicContact CD1-CE2 3.83Å; Y613-Y635 AromaticContact CD1-CZ 3.78Å; Y613-V639 HydrophobicContact CD1-CG2 3.8Å; Y613-V639 HydrophobicContact CD2-CG2 3.8Å; Y613-V639 HydrophobicContact CE1-CG2 3.81Å; Y613-V639 HydrophobicContact CE2-CB 4.43Å; Y613-V639 HydrophobicContact CE2-CG2 3.82Å; Y613-V639 HydrophobicContact CG-CG2 3.79Å; Y613-D642 HydrophobicContact CE2-CB 4.5Å; Y613-D642 VanDerWaalsContact CE2-OD2 3.29Å; Y613-D642 WeakPolarHBondContact CE2-OD2 3.37Å; Y613-D642 PolarHBondContact OH-OD2 2.93Å
614	P	94.9	Very high	93.5	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.039	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-41.1	-170.1	-26.2	34.6	0	0	0	115.3	D212 K479 K560 L579 F581	D212-P614 HydrophobicContact CB-CB 4.36Å; K479-P614 HydrophobicContact CD-CG 4.07Å; K560-P614 WeakPolarHBondContact CD-O 3.45Å; K560-P614 WeakPolarHBondContact CE-O 3.46Å; K560-P614 PolarHBondContact NZ-O 3.28Å; L579-P614 HydrophobicContact CD1-CB 4.42Å; F581-P614 HydrophobicContact CE1-CB 3.7Å; F581-P614 HydrophobicContact CZ-CB 3.65Å; F581-P614 WeakPolarHBondContact CZ-O 3.5Å
615	S	94.2	Very high	93.2	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.049	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.7	-177.9	-164.9	0	0	0	0	113.8	D212 S585 Y613	D212-S615 VanDerWaalsContact CB-CB 3.41Å; D212-S615 VanDerWaalsContact OD2-CB 3.27Å; D212-S615 WeakPolarHBondContact OD2-CB 3.36Å; D212-S615 PolarHBondContact OD2-N 3.06Å; S585-S615 PolarHBondContact OG-O 3.32Å; S585-S615 PolarHBondContact OG-OG 2.96Å; Y613-S615 PolarHBondContact O-N 3.09Å
616	L	96.4	Very high	93.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.			trans	-66.2	138.7	177.2	-160.6	74.3	0	0	0	110	K560 V609 N610 Y613 T618 I628 L629 Y635 L636 V639	K560-L616 VanDerWaalsContact CE-O 3.27Å; K560-L616 WeakPolarHBondContact CE-O 3.22Å; K560-L616 PolarHBondContact NZ-O 3.04Å; V609-L616 HydrophobicContact CB-CD2 3.79Å; V609-L616 HydrophobicContact CG2-CD2 3.56Å; N610-L616 PolarHBondContact OD1-O 3.39Å; Y613-L616 WeakPolarHBondContact O-CB 3.41Å; Y613-L616 PolarHBondContact O-N 2.75Å; L616-T618 HydrophobicContact CD2-CG2 4.25Å; L616-I628 HydrophobicContact CD1-CG2 3.42Å; L616-I628 VanDerWaalsContact CD1-CG2 3.42Å; L616-I628 HydrophobicContact CD2-CG2 4.29Å; L616-I628 HydrophobicContact CG-CG2 3.94Å; L616-L629 WeakPolarHBondContact CD1-O 3.45Å; L616-Y635 HydrophobicContact CD1-CD1 4.49Å; L616-Y635 HydrophobicContact CD1-CE1 3.69Å; L616-Y635 PolarHBondContact N-OH 3.36Å; L616-L636 HydrophobicContact CD1-CD2 4.37Å; L616-V639 HydrophobicContact CD1-CB 4.35Å; L616-V639 HydrophobicContact CD1-CG1 3.84Å; L616-V639 HydrophobicContact CD1-CG2 3.75Å; L616-V639 HydrophobicContact CD2-CG1 3.78Å; L616-V639 HydrophobicContact CG-CG1 4.5Å
617	T	94.8	Very high	93.1	Very high	56 Å²	56	41.1 Å²	41.1	34%	0.344	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.7	171.3	-59.3	0	0	0	0	108.7	L629	T617-L629 HydrophobicContact CG2-CD1 4.35Å; T617-L629 PolarHBondContact N-O 3.48Å; T617-L629 PolarHBondContact O-N 3.07Å
618	T	95	Very high	93.2	Very high	41 Å²	41	33.5 Å²	33.5	25%	0.252	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.6	173.1	59	0	0	0	0	109	L606 N610 L616 V627 I628	L606-T618 HydrophobicContact CB-CG2 4.4Å; L606-T618 HydrophobicContact CD2-CG2 4.09Å; N610-T618 HydrophobicContact CB-CG2 4.31Å; L616-T618 HydrophobicContact CD2-CG2 4.25Å; T618-V627 CarbonylContact C-O 3.6Å; T618-V627 WeakPolarHBondContact CA-O 3.37Å; T618-I628 HydrophobicContact CG2-CG1 4.44Å
619	K	92.5	Very high	93.3	Very high	65 Å²	65	32.9 Å²	32.9	28%	0.283	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.7	176.4	64.9	-180	-178.5	169.5	0	110.6	E621 V627	K619-E621 VanDerWaalsContact CE-OE1 3.26Å; K619-E621 WeakPolarHBondContact CE-OE1 3.3Å; K619-E621 IonicContact NZ-OE1 3.6Å; K619-E621 PolarHBondContact NZ-OE1 3.42Å; K619-V627 HydrophobicContact CG-CB 3.86Å; K619-V627 HydrophobicContact CG-CG1 4.13Å; K619-V627 PolarHBondContact N-O 3.24Å; K619-V627 PolarHBondContact O-N 3.13Å
620	V	93	Very high	93.3	Very high	93 Å²	93	32.9 Å²	32.9	56%	0.564	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.2	169.4	-168.2	0	0	0	0	106.5	H626	V620-H626 WeakPolarHBondContact CG2-ND1 3.36Å
621	E	88.8	Confident	93.2	Very high	20 Å²	20	31.8 Å²	31.8	9%	0.093	18%	0.18	C	C	.	.			trans	-85.6	166.2	176.4	-60.8	-162.2	151.2	0	0	110.8	K588 K619 S623 G624 E625 V627	K588-E621 IonicContact NZ-OE1 2.97Å; K588-E621 PolarHBondContact NZ-OE1 2.6Å; K588-E621 IonicContact NZ-OE2 2.79Å; K588-E621 PolarHBondContact NZ-OE2 3.35Å; K619-E621 VanDerWaalsContact CE-OE1 3.26Å; K619-E621 WeakPolarHBondContact CE-OE1 3.3Å; K619-E621 IonicContact NZ-OE1 3.6Å; K619-E621 PolarHBondContact NZ-OE1 3.42Å; E621-S623 PolarHBondContact O-N 2.88Å; E621-G624 PolarHBondContact O-N 3.43Å; E621-E625 PolarHBondContact N-O 3.28Å; E621-V627 HydrophobicContact CG-CB 4.49Å; E621-V627 HydrophobicContact CG-CG2 3.77Å
622	E	84.6	Confident	93.1	Very high	157 Å²	157	30.2 Å²	30.2	73%	0.734	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.2	-178.2	-63.1	-169.8	162.9	0	0	112.8	G624	E622-G624 PolarHBondContact O-N 3.31Å
623	S	86.4	Confident	93	Very high	54 Å²	54	33.1 Å²	33.1	38%	0.378	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.2	173	55.1	0	0	0	0	114.2	E621 E625 R939	E621-S623 PolarHBondContact O-N 2.88Å; S623-E625 VanDerWaalsContact C-N 3.28Å; S623-R939 PolarHBondContact OG-O 2.7Å
624	G	86.8	Confident	92.9	Very high	42 Å²	42	34.7 Å²	34.7	43%	0.433	19%	0.194	S	C	.	.	S	Bend	trans	85	-2.9	-171	0	0	0	0	0	113.8	E621 E622	E621-G624 PolarHBondContact O-N 3.43Å; E622-G624 PolarHBondContact O-N 3.31Å
625	E	89.8	Confident	93	Very high	46 Å²	46	34.4 Å²	34.4	22%	0.215	19%	0.192	C	C	.	.			trans	-67.5	133.2	175.8	-70	-173.7	-174.4	0	0	111	E621 S623 R939	E621-E625 PolarHBondContact N-O 3.28Å; S623-E625 VanDerWaalsContact C-N 3.28Å; E625-R939 WeakPolarHBondContact OE2-CG 3.02Å; E625-R939 IonicContact OE2-NE 3.63Å
626	H	94.9	Very high	93.1	Very high	19 Å²	19	34.5 Å²	34.5	9%	0.088	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.3	171.7	-61.2	-71.7	0	0	0	110.2	A590 V591 M602 L603 L606 V620	A590-H626 CarbonylContact C-O 3.55Å; A590-H626 WeakPolarHBondContact CA-O 3.27Å; V591-H626 HydrophobicContact CG2-CB 3.9Å; V591-H626 PolarHBondContact N-O 3.17Å; V591-H626 WeakPolarHBondContact O-CB 3.37Å; M602-H626 HydrophobicContact CE-CB 4.09Å; M602-H626 WeakPolarHBondContact CE-CD2 3.38Å; L603-H626 VanDerWaalsContact CD2-CE1 3.42Å; L603-H626 WeakPolarHBondContact CD2-CE1 3.44Å; L606-H626 HydrophobicContact CD1-CB 4.07Å; V620-H626 WeakPolarHBondContact CG2-ND1 3.36Å
627	V	95.1	Very high	93.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.6	-174.9	172.2	0	0	0	0	110.4	K588 I589 T618 K619 E621 L629	K588-V627 HydrophobicContact CD-CG1 3.85Å; K588-V627 HydrophobicContact CG-CG1 3.44Å; K588-V627 VanDerWaalsContact CG-CG1 3.44Å; I589-V627 WeakPolarHBondContact O-CA 3.47Å; T618-V627 CarbonylContact C-O 3.6Å; T618-V627 WeakPolarHBondContact CA-O 3.37Å; K619-V627 HydrophobicContact CG-CB 3.86Å; K619-V627 HydrophobicContact CG-CG1 4.13Å; K619-V627 PolarHBondContact N-O 3.24Å; K619-V627 PolarHBondContact O-N 3.13Å; E621-V627 HydrophobicContact CG-CB 4.49Å; E621-V627 HydrophobicContact CG-CG2 3.77Å; V627-L629 HydrophobicContact CG1-CD2 4.01Å; V627-L629 HydrophobicContact CG1-CG 4.48Å
628	I	96.9	Very high	93.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.5	172.8	-50.9	179.7	0	0	0	108.7	K588 I589 V591 L606 L616 T618 L636 V639 M640 L643	K588-I628 WeakPolarHBondContact CA-O 3.36Å; I589-I628 HydrophobicContact CD1-CB 4.18Å; I589-I628 HydrophobicContact CD1-CD1 4.27Å; I589-I628 HydrophobicContact CG1-CB 3.74Å; I589-I628 HydrophobicContact CG1-CG1 4.44Å; I589-I628 PolarHBondContact N-O 3.03Å; I589-I628 PolarHBondContact O-N 3.04Å; V591-I628 HydrophobicContact CG1-CD1 3.87Å; V591-I628 HydrophobicContact CG1-CG1 4.29Å; V591-I628 HydrophobicContact CG2-CD1 4Å; V591-I628 HydrophobicContact CG2-CG1 4.07Å; L606-I628 HydrophobicContact CD2-CD1 3.6Å; L606-I628 HydrophobicContact CD2-CG1 3.89Å; L616-I628 HydrophobicContact CD1-CG2 3.42Å; L616-I628 VanDerWaalsContact CD1-CG2 3.42Å; L616-I628 HydrophobicContact CD2-CG2 4.29Å; L616-I628 HydrophobicContact CG-CG2 3.94Å; T618-I628 HydrophobicContact CG2-CG1 4.44Å; I628-L636 HydrophobicContact CG2-CD2 3.85Å; I628-V639 HydrophobicContact CG2-CG1 4.43Å; I628-M640 HydrophobicContact CD1-SD 3.86Å; I628-L643 HydrophobicContact CD1-CD2 4.19Å
629	L	96.4	Very high	93.3	Very high	18 Å²	18	33.5 Å²	33.5	9%	0.094	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.7	172.1	-54.3	179.3	0	0	0	110.3	I587 K588 L616 T617 V627 T660	I587-L629 CarbonylContact O-C 3.47Å; I587-L629 VanDerWaalsContact O-CA 3.25Å; I587-L629 WeakPolarHBondContact O-CA 3.47Å; K588-L629 HydrophobicContact CB-CD2 3.6Å; K588-L629 HydrophobicContact CD-CD2 4.37Å; K588-L629 HydrophobicContact CG-CD2 3.79Å; L616-L629 WeakPolarHBondContact CD1-O 3.45Å; T617-L629 HydrophobicContact CG2-CD1 4.35Å; T617-L629 PolarHBondContact N-O 3.48Å; T617-L629 PolarHBondContact O-N 3.07Å; V627-L629 HydrophobicContact CG1-CD2 4.01Å; V627-L629 HydrophobicContact CG1-CG 4.48Å; L629-T660 HydrophobicContact CD1-CG2 4.22Å; L629-T660 HydrophobicContact CD2-CG2 3.56Å
630	G	95.9	Very high	93.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	175	177.8	0	0	0	0	0	113.3	S585 V586 I587	S585-G630 CarbonylContact C-O 3.51Å; S585-G630 WeakPolarHBondContact CA-O 3.26Å; V586-G630 PolarHBondContact N-O 2.83Å; I587-G630 PolarHBondContact N-O 3.47Å; I587-G630 PolarHBondContact O-N 3.36Å
631	T	94.7	Very high	93.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.158	C	C	.	.	S	Bend	trans	-82.2	-23.6	-171.4	56.2	0	0	0	0	114.2	N209 T583 Y635 Y831	N209-T631 WeakPolarHBondContact CA-OG1 3.31Å; N209-T631 WeakPolarHBondContact CB-OG1 3.34Å; N209-T631 WeakPolarHBondContact O-CB 3.39Å; N209-T631 PolarHBondContact O-OG1 2.86Å; T583-T631 HydrophobicContact CG2-CG2 3.59Å; T631-Y635 WeakPolarHBondContact OG1-CB 3.21Å; T631-Y635 WeakPolarHBondContact OG1-CD2 3.33Å; T631-Y635 VanDerWaalsContact OG1-CG 3.3Å; T631-Y831 PolarHBondContact O-OH 3.16Å
632	G	93.1	Very high	93.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	176.4	-177.9	-177.6	0	0	0	0	0	113.1	Y635 L636	G632-Y635 WeakPolarHBondContact O-CB 3.45Å; G632-Y635 PolarHBondContact O-N 2.82Å; G632-L636 PolarHBondContact O-N 3.37Å; G632-L636 VanDerWaalsContact O-N 3.14Å
633	E	92.3	Very high	94.4	Very high	67 Å²	67	20.9 Å²	20.9	31%	0.313	12%	0.119	S	C	.	.	H	α-helix	trans	-60.9	-55.3	-172.4	-58.3	-167.7	134	0	0	113.3	Y635 L636 D637 F880 G881	E633-Y635 PolarHBondContact O-N 2.83Å; E633-Y635 VanDerWaalsContact O-N 3.16Å; E633-L636 PolarHBondContact O-N 2.96Å; E633-D637 WeakPolarHBondContact O-CB 3.49Å; E633-D637 PolarHBondContact O-N 2.74Å; E633-F880 HydrophobicContact CG-CD1 4.33Å; E633-F880 WeakPolarHBondContact OE1-CA 3.32Å; E633-G881 PolarHBondContact OE1-N 2.83Å; E633-G881 PolarHBondContact OE2-N 2.88Å
634	L	94.6	Very high	94.9	Very high	33 Å²	33	22.7 Å²	22.7	17%	0.173	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-32	-179.2	-178.1	62.7	0	0	0	112.5	V178 F210 C638	V178-L634 HydrophobicContact CG1-CD2 4.42Å; F210-L634 HydrophobicContact CE2-CD2 3.95Å; F210-L634 HydrophobicContact CE2-CG 4.06Å; F210-L634 HydrophobicContact CZ-CG 4.17Å; L634-C638 PolarHBondContact O-N 2.7Å; L634-C638 PolarHBondContact O-SG 3.05Å
635	Y	96.8	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.5	-52.1	178.5	-175.8	-89.5	0	0	0	111.1	N209 F210 D212 Y613 L616 T631 G632 E633 D637 C638 V639	N209-Y635 VanDerWaalsContact O-CD2 3.28Å; N209-Y635 WeakPolarHBondContact O-CD2 3.35Å; F210-Y635 AromaticContact CD1-CD2 3.37Å; F210-Y635 HydrophobicContact CD1-CD2 3.37Å; F210-Y635 AromaticContact CD1-CE2 3.89Å; F210-Y635 HydrophobicContact CD1-CE2 3.89Å; F210-Y635 HydrophobicContact CD1-CG 4.4Å; F210-Y635 AromaticContact CE1-CD2 3.48Å; F210-Y635 HydrophobicContact CE1-CD2 3.48Å; F210-Y635 VanDerWaalsContact CE1-CD2 3.48Å; F210-Y635 HydrophobicContact CE1-CE2 4.26Å; F210-Y635 HydrophobicContact CE1-CG 4.11Å; F210-Y635 HydrophobicContact CG-CD2 4.39Å; D212-Y635 VanDerWaalsContact OD2-CE2 3.31Å; D212-Y635 WeakPolarHBondContact OD2-CE2 3.39Å; D212-Y635 PolarHBondContact OD2-OH 3.46Å; Y613-Y635 WeakPolarHBondContact CB-OH 3.39Å; Y613-Y635 HydrophobicContact CD1-CE1 4.4Å; Y613-Y635 AromaticContact CD1-CE2 3.83Å; Y613-Y635 HydrophobicContact CD1-CE2 3.83Å; Y613-Y635 AromaticContact CD1-CZ 3.78Å; L616-Y635 HydrophobicContact CD1-CD1 4.49Å; L616-Y635 HydrophobicContact CD1-CE1 3.69Å; L616-Y635 PolarHBondContact N-OH 3.36Å; T631-Y635 WeakPolarHBondContact OG1-CB 3.21Å; T631-Y635 WeakPolarHBondContact OG1-CD2 3.33Å; T631-Y635 VanDerWaalsContact OG1-CG 3.3Å; G632-Y635 WeakPolarHBondContact O-CB 3.45Å; G632-Y635 PolarHBondContact O-N 2.82Å; E633-Y635 PolarHBondContact O-N 2.83Å; E633-Y635 VanDerWaalsContact O-N 3.16Å; Y635-D637 VanDerWaalsContact C-N 3.29Å; Y635-D637 PolarHBondContact O-N 3.05Å; Y635-C638 PolarHBondContact O-N 2.75Å; Y635-V639 HydrophobicContact CD1-CG2 3.94Å; Y635-V639 HydrophobicContact CE1-CG2 3.89Å; Y635-V639 VanDerWaalsContact O-CG2 3.25Å; Y635-V639 WeakPolarHBondContact O-CG2 3.46Å; Y635-V639 PolarHBondContact O-N 3.47Å
636	L	96.6	Very high	95.2	Very high	9 Å²	9	25 Å²	25	5%	0.047	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-31.9	179.3	-72.6	177.7	0	0	0	112.3	I587 I589 L616 I628 G632 E633 V639 M640	I587-L636 HydrophobicContact CB-CD1 3.76Å; I587-L636 HydrophobicContact CG2-CD1 3.42Å; I587-L636 VanDerWaalsContact CG2-CD1 3.42Å; I589-L636 HydrophobicContact CD1-CB 4.33Å; I589-L636 HydrophobicContact CD1-CD1 4.29Å; I589-L636 HydrophobicContact CD1-CD2 4.04Å; I589-L636 HydrophobicContact CD1-CG 4.46Å; I589-L636 HydrophobicContact CG1-CD1 4.25Å; I589-L636 HydrophobicContact CG1-CD2 4.33Å; I589-L636 HydrophobicContact CG2-CD1 3.91Å; L616-L636 HydrophobicContact CD1-CD2 4.37Å; I628-L636 HydrophobicContact CG2-CD2 3.85Å; G632-L636 PolarHBondContact O-N 3.37Å; G632-L636 VanDerWaalsContact O-N 3.14Å; E633-L636 PolarHBondContact O-N 2.96Å; L636-V639 PolarHBondContact O-N 3.07Å; L636-M640 VanDerWaalsContact O-CB 3.28Å; L636-M640 WeakPolarHBondContact O-CB 3.4Å; L636-M640 WeakPolarHBondContact O-CG 3.5Å; L636-M640 PolarHBondContact O-N 3.29Å
637	D	96	Very high	95.2	Very high	76 Å²	76	25 Å²	25	41%	0.406	12%	0.115	S	C	.	.	H	α-helix	trans	-61.9	-43.8	173.1	-174.5	32.7	0	0	0	111.6	R176 E633 Y635 M640 H641	R176-D637 IonicContact CZ-OD2 3.19Å; R176-D637 IonicContact NH1-OD2 3.29Å; R176-D637 PolarHBondContact NH1-OD2 2.68Å; R176-D637 VanDerWaalsContact NH2-CG 3.3Å; R176-D637 IonicContact NH2-OD1 2.88Å; R176-D637 IonicContact NH2-OD2 2.83Å; R176-D637 PolarHBondContact NH2-OD2 3.41Å; E633-D637 WeakPolarHBondContact O-CB 3.49Å; E633-D637 PolarHBondContact O-N 2.74Å; Y635-D637 VanDerWaalsContact C-N 3.29Å; Y635-D637 PolarHBondContact O-N 3.05Å; D637-M640 PolarHBondContact O-N 3.41Å; D637-H641 WeakPolarHBondContact O-CB 3.09Å; D637-H641 PolarHBondContact O-N 2.86Å
638	C	96.5	Very high	94.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-42.7	174.7	-62.1	0	0	0	0	112.2	I180 F210 L634 Y635 M640 H641 D642	I180-C638 HydrophobicContact CD1-CB 4.32Å; I180-C638 VanDerWaalsContact CD1-SG 3.59Å; I180-C638 HydrophobicContact CG2-CB 4.24Å; F210-C638 HydrophobicContact CE1-CB 4.47Å; F210-C638 HydrophobicContact CZ-CB 4.27Å; L634-C638 PolarHBondContact O-N 2.7Å; L634-C638 PolarHBondContact O-SG 3.05Å; Y635-C638 PolarHBondContact O-N 2.75Å; C638-M640 VanDerWaalsContact C-N 3.33Å; C638-M640 PolarHBondContact O-N 3.07Å; C638-H641 WeakPolarHBondContact O-CB 3.46Å; C638-H641 PolarHBondContact O-N 3.02Å; C638-D642 VanDerWaalsContact O-CG 3.26Å; C638-D642 PolarHBondContact O-N 3.08Å
639	V	96.9	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-44.7	175.7	171.5	0	0	0	0	111.2	V609 Y613 L616 I628 Y635 L636 D642 L643	V609-V639 HydrophobicContact CB-CG1 4.2Å; V609-V639 HydrophobicContact CG1-CG1 4.39Å; V609-V639 HydrophobicContact CG2-CG1 4.29Å; Y613-V639 HydrophobicContact CD1-CG2 3.8Å; Y613-V639 HydrophobicContact CD2-CG2 3.8Å; Y613-V639 HydrophobicContact CE1-CG2 3.81Å; Y613-V639 HydrophobicContact CE2-CB 4.43Å; Y613-V639 HydrophobicContact CE2-CG2 3.82Å; Y613-V639 HydrophobicContact CG-CG2 3.79Å; L616-V639 HydrophobicContact CD1-CB 4.35Å; L616-V639 HydrophobicContact CD1-CG1 3.84Å; L616-V639 HydrophobicContact CD1-CG2 3.75Å; L616-V639 HydrophobicContact CD2-CG1 3.78Å; L616-V639 HydrophobicContact CG-CG1 4.5Å; I628-V639 HydrophobicContact CG2-CG1 4.43Å; Y635-V639 HydrophobicContact CD1-CG2 3.94Å; Y635-V639 HydrophobicContact CE1-CG2 3.89Å; Y635-V639 VanDerWaalsContact O-CG2 3.25Å; Y635-V639 WeakPolarHBondContact O-CG2 3.46Å; Y635-V639 PolarHBondContact O-N 3.47Å; L636-V639 PolarHBondContact O-N 3.07Å; V639-D642 PolarHBondContact O-N 3.48Å; V639-L643 VanDerWaalsContact O-CB 3.32Å; V639-L643 WeakPolarHBondContact O-CB 3.25Å; V639-L643 PolarHBondContact O-N 3Å
640	M	96.4	Very high	94.4	Very high	9 Å²	9	30.2 Å²	30.2	4%	0.044	14%	0.14	C	C	.	.	H	α-helix	trans	-69.2	-35.1	179.2	-74	-52.3	-49.1	0	0	112.2	I589 V591 I628 L636 D637 C638 L643 R644 I652 V654	I589-M640 HydrophobicContact CD1-CG 3.72Å; I589-M640 HydrophobicContact CD1-SD 3.63Å; V591-M640 HydrophobicContact CG1-CE 4.18Å; V591-M640 HydrophobicContact CG1-SD 3.88Å; I628-M640 HydrophobicContact CD1-SD 3.86Å; L636-M640 VanDerWaalsContact O-CB 3.28Å; L636-M640 WeakPolarHBondContact O-CB 3.4Å; L636-M640 WeakPolarHBondContact O-CG 3.5Å; L636-M640 PolarHBondContact O-N 3.29Å; D637-M640 PolarHBondContact O-N 3.41Å; C638-M640 VanDerWaalsContact C-N 3.33Å; C638-M640 PolarHBondContact O-N 3.07Å; M640-L643 HydrophobicContact CE-CD2 3.96Å; M640-L643 HydrophobicContact SD-CD2 4.12Å; M640-R644 HydrophobicContact CE-CG 4.37Å; M640-R644 VanDerWaalsContact O-CB 3.3Å; M640-R644 WeakPolarHBondContact O-CB 3.37Å; M640-R644 WeakPolarHBondContact O-CD 3.28Å; M640-R644 VanDerWaalsContact O-CG 3.25Å; M640-R644 WeakPolarHBondContact O-CG 3.29Å; M640-R644 PolarHBondContact O-N 3.48Å; M640-I652 HydrophobicContact CE-CB 4.49Å; M640-I652 HydrophobicContact CE-CG2 4.05Å; M640-V654 HydrophobicContact CE-CG2 3.47Å; M640-V654 VanDerWaalsContact CE-CG2 3.47Å; M640-V654 HydrophobicContact SD-CG2 4.27Å
641	H	95.7	Very high	94.3	Very high	57 Å²	57	35.9 Å²	35.9	26%	0.264	17%	0.17	S	C	.	.	H	α-helix	trans	-59.2	-51.5	170.9	174.4	-86.1	0	0	0	110.7	T172 D637 C638 L643 R644 K645	T172-H641 PolarHBondContact OG1-CE1 3.34Å; T172-H641 PolarHBondContact OG1-ND1 3.34Å; D637-H641 WeakPolarHBondContact O-CB 3.09Å; D637-H641 PolarHBondContact O-N 2.86Å; C638-H641 WeakPolarHBondContact O-CB 3.46Å; C638-H641 PolarHBondContact O-N 3.02Å; H641-L643 PolarHBondContact O-N 3.28Å; H641-R644 PolarHBondContact O-N 3.41Å; H641-K645 VanDerWaalsContact O-CB 3.29Å; H641-K645 WeakPolarHBondContact O-CB 3.33Å; H641-K645 PolarHBondContact O-N 3.2Å
642	D	95.6	Very high	94.4	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-39.9	-177.5	-62	-8.8	0	0	0	111.4	V609 Y613 C638 V639 R644 M646 Y647	V609-D642 HydrophobicContact CG1-CB 4.44Å; Y613-D642 HydrophobicContact CE2-CB 4.5Å; Y613-D642 VanDerWaalsContact CE2-OD2 3.29Å; Y613-D642 WeakPolarHBondContact CE2-OD2 3.37Å; Y613-D642 PolarHBondContact OH-OD2 2.93Å; C638-D642 VanDerWaalsContact O-CG 3.26Å; C638-D642 PolarHBondContact O-N 3.08Å; V639-D642 PolarHBondContact O-N 3.48Å; D642-R644 PolarHBondContact O-N 3.43Å; D642-M646 HydrophobicContact CB-CG 4.37Å; D642-M646 HydrophobicContact CB-SD 3.91Å; D642-M646 VanDerWaalsContact CG-SD 3.6Å; D642-M646 WeakPolarHBondContact O-CA 3.21Å; D642-M646 VanDerWaalsContact O-CB 3.3Å; D642-M646 WeakPolarHBondContact O-CB 3.45Å; D642-M646 PolarHBondContact O-N 2.99Å; D642-Y647 HydrophobicContact CB-CD2 4.33Å; D642-Y647 HydrophobicContact CB-CE2 3.99Å; D642-Y647 WeakPolarHBondContact O-CD2 3.17Å; D642-Y647 PolarHBondContact O-N 3.44Å
643	L	95.9	Very high	94.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-57.2	-50.9	174.1	-177.6	60.1	0	0	0	110.9	L606 V609 I628 V639 M640 H641 S648 I652	L606-L643 HydrophobicContact CD2-CD1 4.32Å; L606-L643 HydrophobicContact CD2-CD2 3.81Å; L606-L643 HydrophobicContact CG-CD1 4.37Å; L606-L643 HydrophobicContact CG-CD2 4.48Å; V609-L643 HydrophobicContact CG1-CB 4.03Å; V609-L643 HydrophobicContact CG1-CD1 4.43Å; I628-L643 HydrophobicContact CD1-CD2 4.19Å; V639-L643 VanDerWaalsContact O-CB 3.32Å; V639-L643 WeakPolarHBondContact O-CB 3.25Å; V639-L643 PolarHBondContact O-N 3Å; M640-L643 HydrophobicContact CE-CD2 3.96Å; M640-L643 HydrophobicContact SD-CD2 4.12Å; H641-L643 PolarHBondContact O-N 3.28Å; L643-S648 WeakPolarHBondContact O-CB 3.47Å; L643-S648 PolarHBondContact O-N 2.93Å; L643-S648 PolarHBondContact O-OG 3.36Å; L643-I652 HydrophobicContact CD1-CD1 4.49Å; L643-I652 HydrophobicContact CD2-CD1 3.66Å; L643-I652 HydrophobicContact CG-CD1 3.6Å
644	R	95	Very high	94.6	Very high	93 Å²	93	40.7 Å²	40.7	35%	0.351	20%	0.195	S	C	.	.	I	π-helix	trans	-73.9	-39	-176.3	-72.1	169.9	169.5	165.8	-8.4	113.4	M640 H641 D642 E649 I652	M640-R644 HydrophobicContact CE-CG 4.37Å; M640-R644 VanDerWaalsContact O-CB 3.3Å; M640-R644 WeakPolarHBondContact O-CB 3.37Å; M640-R644 WeakPolarHBondContact O-CD 3.28Å; M640-R644 VanDerWaalsContact O-CG 3.25Å; M640-R644 WeakPolarHBondContact O-CG 3.29Å; M640-R644 PolarHBondContact O-N 3.48Å; H641-R644 PolarHBondContact O-N 3.41Å; D642-R644 PolarHBondContact O-N 3.43Å; R644-E649 WeakPolarHBondContact O-CA 3.49Å; R644-E649 PolarHBondContact O-N 2.98Å; R644-I652 HydrophobicContact CG-CB 4.28Å; R644-I652 HydrophobicContact CG-CD1 3.97Å; R644-I652 HydrophobicContact CG-CG1 4.24Å; R644-I652 PolarHBondContact NH2-O 3.37Å
645	K	92.1	Very high	94.6	Very high	126 Å²	126	40.9 Å²	40.9	55%	0.548	20%	0.201	S	C	.	.	I	π-helix	trans	-102.4	-40.3	-169.6	-61.5	-58.1	-174	-172.6	0	114	F101 H641	F101-K645 WeakPolarHBondContact CE1-O 3.44Å; F101-K645 VanDerWaalsContact CZ-O 3.32Å; F101-K645 WeakPolarHBondContact CZ-O 3.44Å; H641-K645 VanDerWaalsContact O-CB 3.29Å; H641-K645 WeakPolarHBondContact O-CB 3.33Å; H641-K645 PolarHBondContact O-N 3.2Å
646	M	92.3	Very high	94.4	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.049	24%	0.235	C	C	.	.	I	π-helix	trans	-87.9	-46.7	-175.5	-62.3	-179.5	60.4	0	0	112.1	F101 L170 D642	F101-M646 HydrophobicContact CB-CE 3.87Å; F101-M646 HydrophobicContact CB-CG 4.29Å; F101-M646 HydrophobicContact CB-SD 4.43Å; F101-M646 HydrophobicContact CD1-CG 3.82Å; F101-M646 HydrophobicContact CD2-CB 4.4Å; F101-M646 HydrophobicContact CD2-CE 4.45Å; F101-M646 HydrophobicContact CD2-CG 4.28Å; F101-M646 HydrophobicContact CE1-CG 4.18Å; F101-M646 HydrophobicContact CE2-CB 4.41Å; F101-M646 HydrophobicContact CG-CB 4.48Å; F101-M646 HydrophobicContact CG-CE 4.24Å; F101-M646 HydrophobicContact CG-CG 3.88Å; L170-M646 HydrophobicContact CD2-CE 4.26Å; D642-M646 HydrophobicContact CB-CG 4.37Å; D642-M646 HydrophobicContact CB-SD 3.91Å; D642-M646 VanDerWaalsContact CG-SD 3.6Å; D642-M646 WeakPolarHBondContact O-CA 3.21Å; D642-M646 VanDerWaalsContact O-CB 3.3Å; D642-M646 WeakPolarHBondContact O-CB 3.45Å; D642-M646 PolarHBondContact O-N 2.99Å
647	Y	94.1	Very high	94.2	Very high	18 Å²	18	49.3 Å²	49.3	7%	0.071	25%	0.249	C	C	.	.	I	π-helix	trans	-102.3	-46.4	-164.7	-58.8	-52.8	0	0	0	115.2	G486 F489 K608 V609 D642	G486-Y647 WeakPolarHBondContact O-CD1 3.26Å; F489-Y647 HydrophobicContact CE2-CE1 4.22Å; F489-Y647 AromaticContact CZ-CE1 3.64Å; F489-Y647 HydrophobicContact CZ-CE1 3.64Å; F489-Y647 AromaticContact CZ-CZ 3.74Å; K608-Y647 HydrophobicContact CB-CD1 3.81Å; K608-Y647 HydrophobicContact CB-CD2 4Å; K608-Y647 HydrophobicContact CB-CE1 4.1Å; K608-Y647 HydrophobicContact CB-CE2 4.28Å; K608-Y647 HydrophobicContact CB-CG 3.75Å; K608-Y647 HydrophobicContact CD-CD1 3.65Å; K608-Y647 HydrophobicContact CD-CE1 4.4Å; K608-Y647 HydrophobicContact CD-CG 4Å; K608-Y647 HydrophobicContact CG-CD1 4.33Å; V609-Y647 HydrophobicContact CG1-CD2 3.56Å; V609-Y647 HydrophobicContact CG1-CE2 3.67Å; D642-Y647 HydrophobicContact CB-CD2 4.33Å; D642-Y647 HydrophobicContact CB-CE2 3.99Å; D642-Y647 WeakPolarHBondContact O-CD2 3.17Å; D642-Y647 PolarHBondContact O-N 3.44Å
648	S	90	Very high	94.2	Very high	11 Å²	11	47.6 Å²	47.6	8%	0.077	24%	0.241	C	C	.	.			trans	-101.2	-33	-171.6	67	0	0	0	0	114.7	L643 I650	L643-S648 WeakPolarHBondContact O-CB 3.47Å; L643-S648 PolarHBondContact O-N 2.93Å; L643-S648 PolarHBondContact O-OG 3.36Å; S648-I650 WeakPolarHBondContact O-CG2 3.48Å; S648-I650 PolarHBondContact O-N 3.12Å
649	E	89.3	Confident	94.1	Very high	112 Å²	112	47.7 Å²	47.7	52%	0.523	24%	0.242	S	C	.	.			trans	52.5	32.3	-173.1	-63.1	-173.7	157.4	0	0	114.4	K99 R644	K99-E649 WeakPolarHBondContact CE-OE1 3.34Å; K99-E649 WeakPolarHBondContact CE-OE2 3.38Å; K99-E649 IonicContact NZ-OE1 2.84Å; K99-E649 PolarHBondContact NZ-OE1 3.31Å; K99-E649 IonicContact NZ-OE2 3.96Å; K99-E649 PolarHBondContact NZ-OE2 2.93Å; R644-E649 WeakPolarHBondContact O-CA 3.49Å; R644-E649 PolarHBondContact O-N 2.98Å
650	I	93	Very high	94	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.041	25%	0.246	C	C	.	.	S	Bend	trans	-115.6	161.2	176.5	71.2	-174.7	0	0	0	111	P593 E598 K601 M602 S648 I652	P593-I650 HydrophobicContact CB-CD1 4.22Å; E598-I650 HydrophobicContact CB-CG2 4.16Å; K601-I650 HydrophobicContact CB-CG2 4.26Å; K601-I650 HydrophobicContact CD-CG2 3.91Å; M602-I650 HydrophobicContact CB-CD1 3.57Å; M602-I650 HydrophobicContact CG-CD1 4.07Å; S648-I650 WeakPolarHBondContact O-CG2 3.48Å; S648-I650 PolarHBondContact O-N 3.12Å; I650-I652 HydrophobicContact CD1-CD1 4.33Å; I650-I652 HydrophobicContact CD1-CG1 4.05Å; I650-I652 HydrophobicContact CG1-CD1 4.04Å; I650-I652 HydrophobicContact CG1-CG1 3.63Å
651	D	94.1	Very high	93.9	Very high	118 Å²	118	48.2 Å²	48.2	63%	0.631	25%	0.245	S	C	*	.			trans	-81	126.9	169.7	-66.3	-42.9	0	0	0	110.2	V594	V594-D651 HydrophobicContact CB-CB 4.04Å; V594-D651 HydrophobicContact CG2-CB 3.68Å; V594-D651 WeakPolarHBondContact CG2-O 3.49Å; V594-D651 PolarHBondContact N-O 3.18Å
652	I	95.8	Very high	94	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.046	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.8	-174.7	-57.8	178.7	0	0	0	109.1	V591 E592 M602 M640 L643 R644 I650 V654	V591-I652 HydrophobicContact CB-CG2 4.02Å; E592-I652 CarbonylContact O-C 3.57Å; E592-I652 WeakPolarHBondContact O-CA 3.4Å; E592-I652 WeakPolarHBondContact O-CG2 3.45Å; M602-I652 HydrophobicContact CG-CD1 4.21Å; M602-I652 HydrophobicContact SD-CG2 4.32Å; M640-I652 HydrophobicContact CE-CB 4.49Å; M640-I652 HydrophobicContact CE-CG2 4.05Å; L643-I652 HydrophobicContact CD1-CD1 4.49Å; L643-I652 HydrophobicContact CD2-CD1 3.66Å; L643-I652 HydrophobicContact CG-CD1 3.6Å; R644-I652 HydrophobicContact CG-CB 4.28Å; R644-I652 HydrophobicContact CG-CD1 3.97Å; R644-I652 HydrophobicContact CG-CG1 4.24Å; R644-I652 PolarHBondContact NH2-O 3.37Å; I650-I652 HydrophobicContact CD1-CD1 4.33Å; I650-I652 HydrophobicContact CD1-CG1 4.05Å; I650-I652 HydrophobicContact CG1-CD1 4.04Å; I650-I652 HydrophobicContact CG1-CG1 3.63Å; I652-V654 HydrophobicContact CG2-CG2 4.32Å
653	K	94.8	Very high	94	Very high	107 Å²	107	45.6 Å²	45.6	47%	0.465	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133	167.6	-57.6	-178.9	-130.5	163.2	0	108.6	V591 E592 P593 V594	V591-K653 WeakPolarHBondContact CA-O 3.41Å; E592-K653 PolarHBondContact N-O 3.2Å; E592-K653 PolarHBondContact O-N 3.42Å; P593-K653 WeakPolarHBondContact O-CE 3.38Å; V594-K653 HydrophobicContact CG2-CG 3.73Å
654	V	95.6	Very high	94	Very high	55 Å²	55	45.8 Å²	45.8	33%	0.333	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.2	178.1	178.7	0	0	0	0	107	I589 V591 M640 I652	I589-V654 HydrophobicContact CB-CG1 4.36Å; I589-V654 HydrophobicContact CD1-CG1 4.48Å; V591-V654 HydrophobicContact CG1-CG2 4.2Å; M640-V654 HydrophobicContact CE-CG2 3.47Å; M640-V654 VanDerWaalsContact CE-CG2 3.47Å; M640-V654 HydrophobicContact SD-CG2 4.27Å; I652-V654 HydrophobicContact CG2-CG2 4.32Å
655	A	93.6	Very high	94.1	Very high	36 Å²	36	41.5 Å²	41.5	30%	0.298	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-75.9	163.7	174.4	0	0	0	0	0	111	A590	A590-A655 HydrophobicContact CB-CB 3.95Å; A590-A655 PolarHBondContact O-N 3.07Å
656	D	92.3	Very high	94.2	Very high	134 Å²	134	38.1 Å²	38.1	72%	0.717	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-56.4	134.8	175	-69.9	-24.3	0	0	0	111	V658	D656-V658 PolarHBondContact O-N 2.72Å
657	P	94.3	Very high	94.2	Very high	53 Å²	53	43.4 Å²	43.4	34%	0.344	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-57.5	135.1	176	-22.9	32.8	0	0	0	111.2	I587 I589 F880	I587-P657 HydrophobicContact CG2-CB 4.03Å; I589-P657 HydrophobicContact CG2-CB 3.97Å; I589-P657 HydrophobicContact CG2-CG 3.98Å; P657-F880 HydrophobicContact CB-CD1 4.05Å; P657-F880 HydrophobicContact CB-CD2 4.4Å; P657-F880 HydrophobicContact CB-CE1 3.62Å; P657-F880 HydrophobicContact CB-CE2 3.99Å; P657-F880 HydrophobicContact CB-CG 4.44Å; P657-F880 HydrophobicContact CB-CZ 3.59Å; P657-F880 WeakPolarHBondContact O-CE2 3.26Å
658	V	94.3	Very high	94.2	Very high	40 Å²	40	46.1 Å²	46.1	24%	0.242	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-176.1	168.8	-56.8	0	0	0	0	108.9	K588 D656	K588-V658 HydrophobicContact CB-CG2 3.82Å; K588-V658 HydrophobicContact CD-CG2 3.93Å; K588-V658 HydrophobicContact CG-CG2 3.94Å; K588-V658 PolarHBondContact N-O 2.63Å; K588-V658 PolarHBondContact O-N 2.66Å; D656-V658 PolarHBondContact O-N 2.72Å
659	V	95.2	Very high	94.1	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	155.5	176.3	-61	0	0	0	0	110.5	V586 I587 F661 P829 A876 I877 F880	V586-V659 CarbonylContact O-C 3.54Å; V586-V659 VanDerWaalsContact O-CA 3.28Å; V586-V659 WeakPolarHBondContact O-CA 3.42Å; I587-V659 HydrophobicContact CD1-CG1 3.99Å; V659-F661 HydrophobicContact CG2-CD1 4.25Å; V659-F661 HydrophobicContact CG2-CE1 3.71Å; V659-F661 HydrophobicContact CG2-CE2 4.19Å; V659-F661 HydrophobicContact CG2-CZ 3.67Å; V659-P829 HydrophobicContact CB-CG 3.8Å; V659-P829 HydrophobicContact CG1-CG 4.22Å; V659-P829 HydrophobicContact CG2-CG 4.06Å; V659-A876 HydrophobicContact CG1-CB 3.85Å; V659-I877 HydrophobicContact CG1-CB 4.19Å; V659-I877 HydrophobicContact CG2-CB 4.19Å; V659-F880 HydrophobicContact CG1-CZ 4.1Å
660	T	94.1	Very high	93.8	Very high	14 Å²	14	44.8 Å²	44.8	9%	0.086	25%	0.254	C	S	.	.			trans	-74.6	139.2	161	53.3	0	0	0	0	109	V586 K588 L629 P829 W903	V586-T660 WeakPolarHBondContact CG1-OG1 3.39Å; V586-T660 PolarHBondContact O-N 3.31Å; V586-T660 PolarHBondContact O-OG1 2.95Å; K588-T660 HydrophobicContact CB-CG2 4.38Å; L629-T660 HydrophobicContact CD1-CG2 4.22Å; L629-T660 HydrophobicContact CD2-CG2 3.56Å; T660-P829 WeakPolarHBondContact O-CD 3.45Å; T660-W903 WeakPolarHBondContact O-CH2 3.42Å; T660-W903 VanDerWaalsContact O-CZ3 3.29Å; T660-W903 WeakPolarHBondContact O-CZ3 3.48Å
661	F	95.8	Very high	93.4	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.022	26%	0.26	C	S	.	.			trans	-99.9	170.3	174.5	-64.2	-76.6	0	0	0	109.4	V659 E781 M827 E828 F932	V659-F661 HydrophobicContact CG2-CD1 4.25Å; V659-F661 HydrophobicContact CG2-CE1 3.71Å; V659-F661 HydrophobicContact CG2-CE2 4.19Å; V659-F661 HydrophobicContact CG2-CZ 3.67Å; F661-E781 HydrophobicContact CB-CG 4.43Å; F661-E781 WeakPolarHBondContact O-CB 3.45Å; F661-M827 WeakPolarHBondContact CA-O 3.44Å; F661-E828 HydrophobicContact CD1-CB 4.25Å; F661-E828 HydrophobicContact CE1-CB 4.14Å; F661-F932 HydrophobicContact CE1-CB 4.11Å; F661-F932 AromaticContact CE1-CD2 3.54Å; F661-F932 HydrophobicContact CE1-CD2 3.54Å; F661-F932 HydrophobicContact CE1-CE2 4.11Å; F661-F932 AromaticContact CE1-CG 3.92Å; F661-F932 HydrophobicContact CE1-CG 3.92Å; F661-F932 HydrophobicContact CE2-CB 4.07Å; F661-F932 HydrophobicContact CE2-CG 4.41Å; F661-F932 HydrophobicContact CZ-CB 3.69Å; F661-F932 HydrophobicContact CZ-CD1 4.15Å; F661-F932 AromaticContact CZ-CD2 3.71Å; F661-F932 HydrophobicContact CZ-CD2 3.71Å; F661-F932 HydrophobicContact CZ-CE2 4.35Å; F661-F932 AromaticContact CZ-CG 3.59Å; F661-F932 HydrophobicContact CZ-CG 3.59Å
662	C	96.1	Very high	93.1	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	160.8	161.8	-71.7	0	0	0	0	109.4	P782 R784 L826 M827 W903	C662-P782 CarbonylContact C-O 3.31Å; C662-P782 VanDerWaalsContact CA-O 3.24Å; C662-P782 WeakPolarHBondContact CA-O 3.48Å; C662-P782 WeakPolarHBondContact CB-O 3.31Å; C662-R784 HydrophobicContact CB-CB 3.86Å; C662-L826 CarbonylContact O-C 3.47Å; C662-M827 HydrophobicContact CB-CB 4.11Å; C662-M827 PolarHBondContact N-O 3.29Å; C662-M827 PolarHBondContact O-N 2.93Å; C662-W903 HydrophobicContact CB-CD2 4.35Å; C662-W903 HydrophobicContact CB-CE3 4.08Å; C662-W903 HydrophobicContact CB-CZ3 4.26Å; C662-W903 VanDerWaalsContact SG-CZ2 3.6Å
663	E	96.4	Very high	92.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.3	179	-55.4	-175.4	-175.1	0	0	110.1	P777 L778 C779 P782 I783 R784 F819 L826	E663-P777 WeakPolarHBondContact OE2-CD 3.35Å; E663-P777 VanDerWaalsContact OE2-N 3.12Å; E663-L778 HydrophobicContact CB-CD1 4.31Å; E663-L778 VanDerWaalsContact CD-CB 3.46Å; E663-L778 VanDerWaalsContact CD-N 3.34Å; E663-L778 HydrophobicContact CG-CB 4.21Å; E663-L778 HydrophobicContact CG-CD1 4.16Å; E663-L778 HydrophobicContact CG-CG 4.39Å; E663-L778 WeakPolarHBondContact OE1-CA 3.46Å; E663-L778 WeakPolarHBondContact OE1-CB 3.34Å; E663-L778 PolarHBondContact OE1-N 3.41Å; E663-L778 VanDerWaalsContact OE1-N 3.07Å; E663-L778 WeakPolarHBondContact OE2-CB 3.47Å; E663-L778 WeakPolarHBondContact OE2-CG 3.3Å; E663-L778 PolarHBondContact OE2-N 3.18Å; E663-C779 PolarHBondContact OE1-N 3.19Å; E663-C779 PolarHBondContact OE1-SG 2.83Å; E663-C779 VanDerWaalsContact OE1-SG 3.36Å; E663-P782 PolarHBondContact N-O 2.74Å; E663-I783 HydrophobicContact CB-CG1 4.38Å; E663-I783 CarbonylContact O-C 3.55Å; E663-I783 VanDerWaalsContact O-CA 3.32Å; E663-I783 WeakPolarHBondContact O-CA 3.39Å; E663-R784 PolarHBondContact O-N 2.71Å; E663-F819 HydrophobicContact CB-CE1 4.23Å; E663-F819 HydrophobicContact CB-CE2 4.35Å; E663-F819 HydrophobicContact CB-CZ 3.62Å; E663-L826 HydrophobicContact CG-CD2 4.12Å
664	T	96.8	Very high	92.6	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	172.2	-179.2	-159	0	0	0	0	112.1	R784 F819 P824 R825 M827 I905	T664-R784 VanDerWaalsContact CB-O 3.24Å; T664-R784 WeakPolarHBondContact CB-O 3.35Å; T664-R784 PolarHBondContact OG1-O 3.25Å; T664-F819 WeakPolarHBondContact O-CZ 3.44Å; T664-P824 CarbonylContact O-C 3.5Å; T664-P824 WeakPolarHBondContact O-CA 3.35Å; T664-R825 HydrophobicContact CG2-CB 4.04Å; T664-R825 PolarHBondContact N-O 3.27Å; T664-R825 PolarHBondContact O-N 3.46Å; T664-M827 HydrophobicContact CG2-CG 3.48Å; T664-M827 VanDerWaalsContact CG2-CG 3.48Å; T664-M827 HydrophobicContact CG2-SD 3.79Å; T664-I905 HydrophobicContact CG2-CD1 4.29Å; T664-I905 HydrophobicContact CG2-CG1 3.99Å
665	V	96	Very high	92.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148	174.9	-58.4	0	0	0	0	109	P690 V786 F819 A822	V665-P690 HydrophobicContact CG2-CB 4.18Å; V665-V786 HydrophobicContact CG1-CG1 4.3Å; V665-V786 HydrophobicContact CG1-CG2 4.21Å; V665-V786 HydrophobicContact CG2-CB 4.38Å; V665-V786 HydrophobicContact CG2-CG1 3.85Å; V665-V786 HydrophobicContact CG2-CG2 3.95Å; V665-F819 HydrophobicContact CG1-CD2 3.5Å; V665-F819 VanDerWaalsContact CG1-CD2 3.5Å; V665-F819 HydrophobicContact CG1-CE2 3.49Å; V665-F819 VanDerWaalsContact CG1-CE2 3.49Å; V665-F819 HydrophobicContact CG1-CG 4.19Å; V665-F819 HydrophobicContact CG1-CZ 4.16Å; V665-A822 HydrophobicContact CB-CB 3.91Å; V665-A822 VanDerWaalsContact CB-O 3.3Å; V665-A822 WeakPolarHBondContact CB-O 3.43Å; V665-A822 HydrophobicContact CG1-CB 3.64Å
666	V	93.9	Very high	92.4	Very high	55 Å²	55	39.5 Å²	39.5	33%	0.333	22%	0.216	S	C	.	.	S	Bend	trans	-108.2	-22.7	178	-69.2	0	0	0	0	113.2	T823 R825 I905	V666-T823 HydrophobicContact CG2-CG2 3.69Å; V666-R825 HydrophobicContact CG1-CB 4.48Å; V666-R825 HydrophobicContact CG1-CG 3.74Å; V666-R825 HydrophobicContact CG2-CG 4.22Å; V666-I905 HydrophobicContact CG1-CD1 3.67Å
667	E	93.3	Very high	92.4	Very high	121 Å²	121	33.2 Å²	33.2	57%	0.565	18%	0.183	S	C	*	.	S	Bend	trans	-134.1	160.2	-177.1	-70.1	-179.9	175	0	0	109.8	A822	E667-A822 WeakPolarHBondContact O-CB 3.43Å
668	T	93.1	Very high	92.1	Very high	75 Å²	75	35.6 Å²	35.6	46%	0.46	20%	0.198	S	C	.	.			trans	-67.3	144.1	173.9	-54.5	0	0	0	0	110.2	S670 I687 A688 E689	T668-S670 PolarHBondContact O-N 2.83Å; T668-I687 HydrophobicContact CG2-CD1 4.47Å; T668-A688 CarbonylContact C-O 3.6Å; T668-A688 WeakPolarHBondContact CA-O 3.27Å; T668-E689 HydrophobicContact CG2-CB 4.21Å
669	S	89.3	Confident	91.9	Very high	11 Å²	11	36 Å²	36	8%	0.077	20%	0.199	C	C	.	.			trans	-51.7	127.4	174.5	60.5	0	0	0	0	111.6	L671 I687 A688 M821	S669-L671 PolarHBondContact O-N 3.28Å; S669-L671 PolarHBondContact OG-O 2.92Å; S669-I687 WeakPolarHBondContact OG-CA 3.13Å; S669-I687 WeakPolarHBondContact OG-CB 3.44Å; S669-I687 WeakPolarHBondContact OG-CG2 3.46Å; S669-A688 PolarHBondContact N-O 3.17Å; S669-A688 PolarHBondContact OG-N 3Å; S669-M821 WeakPolarHBondContact CA-O 3.46Å
670	S	82.6	Confident	91.7	Very high	84 Å²	84	43.9 Å²	43.9	59%	0.587	23%	0.233	S	C	*	.	S	Bend	trans	-61.7	-29.5	-179.6	56.8	0	0	0	0	112.8	T668 M821	T668-S670 PolarHBondContact O-N 2.83Å; S670-M821 PolarHBondContact N-O 2.88Å
671	L	84.1	Confident	91.5	Very high	29 Å²	29	47.9 Å²	47.9	15%	0.152	25%	0.249	C	C	.	.	S	Bend	trans	-129.5	152.4	-177.2	-62.3	176.7	0	0	0	111.7	S669 C673 L960 Q963 V965	S669-L671 PolarHBondContact O-N 3.28Å; S669-L671 PolarHBondContact OG-O 2.92Å; L671-C673 PolarHBondContact O-N 3.21Å; L671-L960 HydrophobicContact CD1-CD2 3.3Å; L671-Q963 VanDerWaalsContact CD1-OE1 3.24Å; L671-V965 HydrophobicContact CD1-CG2 4.09Å
672	K	88.6	Confident	91.4	Very high	135 Å²	135	47.8 Å²	47.8	59%	0.587	25%	0.249	S	C	*	.			trans	-78.2	110.3	170.7	-59.2	-176.7	-179.6	-173	0	107.9	T685 I687 L791	K672-T685 HydrophobicContact CB-CG2 3.92Å; K672-I687 HydrophobicContact CB-CG2 4.3Å; K672-I687 HydrophobicContact CG-CG2 3.96Å; K672-L791 HydrophobicContact CD-CD1 3.63Å; K672-L791 HydrophobicContact CG-CD1 3.78Å
673	C	89.3	Confident	91.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.4	179.7	-65.1	0	0	0	0	109.9	L671 T685 M686 S817 A818 M821 M956	L671-C673 PolarHBondContact O-N 3.21Å; C673-T685 CarbonylContact O-C 3.47Å; C673-T685 VanDerWaalsContact O-CA 3.24Å; C673-T685 WeakPolarHBondContact O-CA 3.35Å; C673-T685 WeakPolarHBondContact O-CG2 3.45Å; C673-M686 PolarHBondContact N-O 2.9Å; C673-M686 VanDerWaalsContact N-O 3.13Å; C673-M686 PolarHBondContact O-N 3.18Å; C673-S817 PolarHBondContact SG-O 3.01Å; C673-A818 HydrophobicContact CB-CB 4.34Å; C673-M821 VanDerWaalsContact SG-CG 3.6Å; C673-M956 HydrophobicContact CB-CE 4.4Å
674	F	91.1	Very high	91.1	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.039	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.2	171.6	67.7	-94.9	0	0	0	111.6	E676 K683 I684 T685 P955 M956 E959	F674-E676 HydrophobicContact CD2-CG 4.35Å; F674-E676 HydrophobicContact CE2-CG 4.46Å; F674-K683 HydrophobicContact CB-CD 4.48Å; F674-K683 HydrophobicContact CB-CG 4.15Å; F674-K683 HydrophobicContact CD2-CD 4.01Å; F674-K683 HydrophobicContact CD2-CG 4.13Å; F674-K683 VanDerWaalsContact CD2-NZ 3.28Å; F674-K683 VanDerWaalsContact CE2-NZ 3.28Å; F674-K683 HydrophobicContact CG-CD 4.34Å; F674-K683 HydrophobicContact CG-CG 4.43Å; F674-I684 CarbonylContact C-O 3.56Å; F674-I684 WeakPolarHBondContact CA-O 3.42Å; F674-T685 HydrophobicContact CB-CG2 4.31Å; F674-P955 HydrophobicContact CE2-CB 4.17Å; F674-P955 HydrophobicContact CZ-CB 4.07Å; F674-M956 HydrophobicContact CD1-SD 3.48Å; F674-M956 WeakPolarHBondContact CD1-SD 3.5Å; F674-M956 HydrophobicContact CE1-CB 4.15Å; F674-M956 HydrophobicContact CE1-CG 4.36Å; F674-M956 HydrophobicContact CE1-SD 3.37Å; F674-M956 WeakPolarHBondContact CE1-SD 3.42Å; F674-M956 HydrophobicContact CE2-CB 4.28Å; F674-M956 HydrophobicContact CG-SD 4.33Å; F674-M956 HydrophobicContact CZ-CB 3.94Å; F674-M956 HydrophobicContact CZ-SD 4.15Å; F674-E959 WeakPolarHBondContact CE1-OE2 3.43Å
675	A	91.5	Very high	91	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.7	169.7	0	0	0	0	0	110.4	K683 I684 T810 R813 V814 D953	A675-K683 WeakPolarHBondContact O-CA 3.37Å; A675-I684 PolarHBondContact N-O 2.83Å; A675-I684 PolarHBondContact O-N 2.74Å; A675-T810 HydrophobicContact CB-CG2 3.71Å; A675-R813 HydrophobicContact CB-CB 4.4Å; A675-V814 HydrophobicContact CB-CB 3.82Å; A675-D953 WeakPolarHBondContact CA-OD2 3.48Å
676	E	92.3	Very high	91	Very high	49 Å²	49	50.1 Å²	50.1	23%	0.229	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143	176.3	-66.8	-178.2	-179.6	0	0	111	F674 N682 K683 D953	F674-E676 HydrophobicContact CD2-CG 4.35Å; F674-E676 HydrophobicContact CE2-CG 4.46Å; E676-N682 CarbonylContact C-O 3.58Å; E676-N682 VanDerWaalsContact CA-O 3.31Å; E676-N682 WeakPolarHBondContact CA-O 3.37Å; E676-K683 HydrophobicContact CG-CB 4.13Å; E676-K683 HydrophobicContact CG-CD 4.32Å; E676-K683 HydrophobicContact CG-CG 4.09Å; E676-D953 PolarHBondContact N-OD2 3.16Å
677	T	91.8	Very high	91.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.248	C	C	.	.			trans	-66.5	154.4	172.9	47.2	0	0	0	0	110.6	N679 K680 N682 Q806 T810	T677-N679 WeakPolarHBondContact CB-OD1 3.42Å; T677-N679 PolarHBondContact O-N 3Å; T677-N679 PolarHBondContact OG1-OD1 3.44Å; T677-K680 WeakPolarHBondContact O-CA 3.48Å; T677-K680 PolarHBondContact O-N 3.1Å; T677-N682 HydrophobicContact CG2-CB 3.72Å; T677-N682 PolarHBondContact N-O 2.68Å; T677-N682 PolarHBondContact OG1-N 3.4Å; T677-N682 PolarHBondContact OG1-ND2 2.94Å; T677-N682 VanDerWaalsContact OG1-ND2 3.08Å; T677-N682 PolarHBondContact OG1-O 3.26Å; T677-Q806 HydrophobicContact CG2-CB 4.14Å; T677-Q806 WeakPolarHBondContact CG2-O 3.36Å; T677-T810 HydrophobicContact CG2-CG2 4.09Å; T677-T810 WeakPolarHBondContact CG2-OG1 3.32Å
678	P	89	Confident	91.2	Very high	102 Å²	102	42.8 Å²	42.8	66%	0.662	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.8	177.8	-29	35.2	0	0	0	114.1	K680	P678-K680 PolarHBondContact O-N 3.44Å
679	N	90.8	Very high	91.4	Very high	48 Å²	48	40.5 Å²	40.5	26%	0.257	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.9	175.3	69.7	14.5	0	0	0	114.8	T677 K681 H801	T677-N679 WeakPolarHBondContact CB-OD1 3.42Å; T677-N679 PolarHBondContact O-N 3Å; T677-N679 PolarHBondContact OG1-OD1 3.44Å; N679-K681 WeakPolarHBondContact O-CG 3.04Å; N679-K681 PolarHBondContact O-N 2.95Å; N679-K681 WeakPolarHBondContact OD1-CB 3.45Å; N679-K681 PolarHBondContact OD1-N 3.42Å; N679-H801 PolarHBondContact ND2-O 3.15Å
680	K	90.1	Very high	91.7	Very high	169 Å²	169	42 Å²	42	74%	0.735	22%	0.215	S	C	*	.	S	Bend	trans	57.5	21	-178.5	-54.4	-176	179.2	-175.3	0	115.3	T677 P678	T677-K680 WeakPolarHBondContact O-CA 3.48Å; T677-K680 PolarHBondContact O-N 3.1Å; P678-K680 PolarHBondContact O-N 3.44Å
681	K	90.5	Very high	92.3	Very high	99 Å²	99	38.4 Å²	38.4	43%	0.43	19%	0.189	S	C	.	.			trans	-102.4	-17.4	-177.8	-64.5	-170.5	177.8	-168.3	0	114.2	N679 A796 H801	N679-K681 WeakPolarHBondContact O-CG 3.04Å; N679-K681 PolarHBondContact O-N 2.95Å; N679-K681 WeakPolarHBondContact OD1-CB 3.45Å; N679-K681 PolarHBondContact OD1-N 3.42Å; K681-A796 HydrophobicContact CB-CB 4.01Å; K681-H801 HydrophobicContact CD-CB 3.83Å; K681-H801 PolarHBondContact NZ-CD2 2.81Å; K681-H801 PolarHBondContact NZ-CE1 3Å; K681-H801 VanDerWaalsContact NZ-CE1 3.33Å; K681-H801 PolarHBondContact NZ-NE2 3.25Å
682	N	92.4	Very high	92.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.011	20%	0.197	C	C	.	.			trans	-123.8	138.3	176.2	-40.4	-89.6	0	0	0	109.9	E676 T677 V794 I795 A796 H801	E676-N682 CarbonylContact C-O 3.58Å; E676-N682 VanDerWaalsContact CA-O 3.31Å; E676-N682 WeakPolarHBondContact CA-O 3.37Å; T677-N682 HydrophobicContact CG2-CB 3.72Å; T677-N682 PolarHBondContact N-O 2.68Å; T677-N682 PolarHBondContact OG1-N 3.4Å; T677-N682 PolarHBondContact OG1-ND2 2.94Å; T677-N682 VanDerWaalsContact OG1-ND2 3.08Å; T677-N682 PolarHBondContact OG1-O 3.26Å; N682-V794 CarbonylContact C-O 3.45Å; N682-V794 WeakPolarHBondContact CA-O 3.39Å; N682-I795 HydrophobicContact CB-CD1 4.25Å; N682-A796 PolarHBondContact OD1-N 2.86Å; N682-H801 PolarHBondContact ND2-O 2.98Å
683	K	93.4	Very high	92.8	Very high	49 Å²	49	43.5 Å²	43.5	21%	0.213	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.4	177.9	179.6	175	172.2	148.2	0	108.5	F674 A675 E676 A793 V794	F674-K683 HydrophobicContact CB-CD 4.48Å; F674-K683 HydrophobicContact CB-CG 4.15Å; F674-K683 HydrophobicContact CD2-CD 4.01Å; F674-K683 HydrophobicContact CD2-CG 4.13Å; F674-K683 VanDerWaalsContact CD2-NZ 3.28Å; F674-K683 VanDerWaalsContact CE2-NZ 3.28Å; F674-K683 HydrophobicContact CG-CD 4.34Å; F674-K683 HydrophobicContact CG-CG 4.43Å; A675-K683 WeakPolarHBondContact O-CA 3.37Å; E676-K683 HydrophobicContact CG-CB 4.13Å; E676-K683 HydrophobicContact CG-CD 4.32Å; E676-K683 HydrophobicContact CG-CG 4.09Å; K683-A793 CarbonylContact O-C 3.55Å; K683-A793 WeakPolarHBondContact O-CA 3.34Å; K683-V794 HydrophobicContact CB-CB 4.13Å; K683-V794 HydrophobicContact CB-CG2 4.5Å; K683-V794 PolarHBondContact N-O 3.47Å; K683-V794 PolarHBondContact O-N 3.4Å
684	I	94.1	Very high	92.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.4	178.5	-56.7	168.4	0	0	0	107.7	F674 A675 M686 I765 V807 A811 V814	F674-I684 CarbonylContact C-O 3.56Å; F674-I684 WeakPolarHBondContact CA-O 3.42Å; A675-I684 PolarHBondContact N-O 2.83Å; A675-I684 PolarHBondContact O-N 2.74Å; I684-M686 HydrophobicContact CG2-CE 3.93Å; I684-M686 HydrophobicContact CG2-CG 4.27Å; I684-I765 HydrophobicContact CD1-CD1 4.15Å; I684-I765 HydrophobicContact CD1-CG1 4.04Å; I684-V807 HydrophobicContact CD1-CG1 4.18Å; I684-A811 HydrophobicContact CD1-CB 4.46Å; I684-V814 HydrophobicContact CB-CG1 4.33Å; I684-V814 HydrophobicContact CG2-CG1 4.02Å; I684-V814 WeakPolarHBondContact O-CG2 3.18Å
685	T	94.6	Very high	92.9	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.9	179.6	-49.8	0	0	0	0	110.1	K672 C673 F674 L791 D792	K672-T685 HydrophobicContact CB-CG2 3.92Å; C673-T685 CarbonylContact O-C 3.47Å; C673-T685 VanDerWaalsContact O-CA 3.24Å; C673-T685 WeakPolarHBondContact O-CA 3.35Å; C673-T685 WeakPolarHBondContact O-CG2 3.45Å; F674-T685 HydrophobicContact CB-CG2 4.31Å; T685-L791 PolarHBondContact O-N 2.98Å; T685-D792 PolarHBondContact N-O 3.21Å
686	M	95.4	Very high	93	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.7	177.2	-59.7	-174.9	-177.1	0	0	112.5	C673 I684 L744 I765 K789 I790 V814 V815 A818	C673-M686 PolarHBondContact N-O 2.9Å; C673-M686 VanDerWaalsContact N-O 3.13Å; C673-M686 PolarHBondContact O-N 3.18Å; I684-M686 HydrophobicContact CG2-CE 3.93Å; I684-M686 HydrophobicContact CG2-CG 4.27Å; M686-L744 HydrophobicContact CE-CD1 4.19Å; M686-L744 HydrophobicContact SD-CD1 4.46Å; M686-I765 HydrophobicContact CE-CG2 3.9Å; M686-K789 CarbonylContact C-O 3.58Å; M686-K789 WeakPolarHBondContact CA-O 3.49Å; M686-I790 HydrophobicContact CE-CD1 4.2Å; M686-I790 HydrophobicContact CE-CG1 3.9Å; M686-I790 HydrophobicContact CG-CG1 4.21Å; M686-V814 HydrophobicContact CB-CG2 3.89Å; M686-V814 HydrophobicContact CE-CG1 3.78Å; M686-V814 HydrophobicContact CG-CG1 4.07Å; M686-V814 HydrophobicContact CG-CG2 3.91Å; M686-V814 HydrophobicContact SD-CG1 3.74Å; M686-V814 HydrophobicContact SD-CG2 4.49Å; M686-V815 HydrophobicContact CE-CG2 4.44Å; M686-V815 HydrophobicContact SD-CG2 3.89Å; M686-A818 HydrophobicContact CB-CB 4.22Å
687	I	95.7	Very high	92.9	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.9	162.2	59.1	168.1	0	0	0	109.5	T668 S669 K672 F788 K789 L791	T668-I687 HydrophobicContact CG2-CD1 4.47Å; S669-I687 WeakPolarHBondContact OG-CA 3.13Å; S669-I687 WeakPolarHBondContact OG-CB 3.44Å; S669-I687 WeakPolarHBondContact OG-CG2 3.46Å; K672-I687 HydrophobicContact CB-CG2 4.3Å; K672-I687 HydrophobicContact CG-CG2 3.96Å; I687-F788 WeakPolarHBondContact O-CA 3.5Å; I687-K789 HydrophobicContact CD1-CB 4.34Å; I687-K789 HydrophobicContact CD1-CD 4.05Å; I687-K789 HydrophobicContact CG1-CB 3.77Å; I687-K789 HydrophobicContact CG1-CD 4.32Å; I687-K789 PolarHBondContact N-O 3.35Å; I687-K789 PolarHBondContact O-N 3.31Å; I687-L791 HydrophobicContact CB-CD1 4.34Å; I687-L791 HydrophobicContact CD1-CD1 4.02Å; I687-L791 HydrophobicContact CD1-CD2 4.26Å; I687-L791 HydrophobicContact CD1-CG 4.42Å; I687-L791 HydrophobicContact CG1-CD1 3.94Å; I687-L791 HydrophobicContact CG1-CD2 4.32Å; I687-L791 HydrophobicContact CG1-CG 4.11Å; I687-L791 HydrophobicContact CG2-CD1 3.58Å; I687-L791 HydrophobicContact CG2-CG 4.46Å
688	A	96.2	Very high	92.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.9	172.7	0	0	0	0	0	109.7	T668 S669 V786 K787 F788 A818 A822	T668-A688 CarbonylContact C-O 3.6Å; T668-A688 WeakPolarHBondContact CA-O 3.27Å; S669-A688 PolarHBondContact N-O 3.17Å; S669-A688 PolarHBondContact OG-N 3Å; A688-V786 HydrophobicContact CB-CG1 3.99Å; A688-K787 CarbonylContact C-O 3.27Å; A688-K787 WeakPolarHBondContact CA-O 3.1Å; A688-F788 HydrophobicContact CB-CD1 4.1Å; A688-F788 HydrophobicContact CB-CE1 3.9Å; A688-A818 HydrophobicContact CB-CB 4.2Å; A688-A822 HydrophobicContact CB-CB 3.92Å
689	E	95.7	Very high	93	Very high	26 Å²	26	43 Å²	43	12%	0.121	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.9	174.1	68.5	-174.1	-163.6	0	0	110.4	T668 K787 K789	T668-E689 HydrophobicContact CG2-CB 4.21Å; E689-K787 HydrophobicContact CG-CB 3.68Å; E689-K787 HydrophobicContact CG-CD 4Å; E689-K787 HydrophobicContact CG-CG 3.95Å; E689-K787 PolarHBondContact N-O 3.26Å; E689-K787 PolarHBondContact O-N 3.13Å; E689-K787 WeakPolarHBondContact OE1-CD 3.35Å; E689-K787 WeakPolarHBondContact OE1-CE 3.28Å; E689-K787 IonicContact OE1-NZ 2.83Å; E689-K787 PolarHBondContact OE1-NZ 3.37Å; E689-K789 VanDerWaalsContact CD-CE 3.45Å; E689-K789 WeakPolarHBondContact OE1-CE 3.5Å; E689-K789 IonicContact OE1-NZ 3.67Å; E689-K789 PolarHBondContact OE1-NZ 3.23Å; E689-K789 WeakPolarHBondContact OE2-CE 2.98Å; E689-K789 IonicContact OE2-NZ 3Å; E689-K789 PolarHBondContact OE2-NZ 3.4Å
690	P	96.8	Very high	92.9	Very high	43 Å²	43	44.1 Å²	44.1	28%	0.279	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	140.4	175.5	27.1	-35.2	0	0	0	110.7	V665	V665-P690 HydrophobicContact CG2-CB 4.18Å
691	L	94.7	Very high	92.7	Very high	9 Å²	9	39 Å²	39	5%	0.047	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-71.9	153.2	170	-76.1	171.8	0	0	0	111.3	L695 W723 P741 I743 N785 K787	L691-L695 HydrophobicContact CD2-CD2 3.69Å; L691-L695 HydrophobicContact CD2-CG 4.42Å; L691-W723 HydrophobicContact CD2-CZ2 4.48Å; L691-P741 WeakPolarHBondContact CD1-O 3.38Å; L691-I743 HydrophobicContact CD1-CD1 4.46Å; L691-I743 HydrophobicContact CD1-CG1 4.09Å; L691-I743 HydrophobicContact CD2-CB 4.31Å; L691-I743 HydrophobicContact CD2-CD1 3.62Å; L691-I743 HydrophobicContact CD2-CG1 3.86Å; L691-N785 WeakPolarHBondContact CB-OD1 3.34Å; L691-N785 PolarHBondContact N-O 2.9Å; L691-N785 PolarHBondContact O-ND2 2.85Å; L691-K787 HydrophobicContact CD2-CB 3.66Å; L691-K787 HydrophobicContact CD2-CD 4.1Å; L691-K787 HydrophobicContact CD2-CG 4.32Å; L691-K787 HydrophobicContact CG-CB 4.07Å
692	E	93.1	Very high	92.5	Very high	68 Å²	68	37.2 Å²	37.2	32%	0.318	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-62.8	146.1	174.4	-61.4	84.7	170	0	0	111.5	G694 L695 Y721 W723	E692-G694 PolarHBondContact O-N 3.3Å; E692-L695 WeakPolarHBondContact O-CB 3.43Å; E692-L695 PolarHBondContact O-N 3.42Å; E692-L695 VanDerWaalsContact O-N 3.11Å; E692-L695 WeakPolarHBondContact OE2-CD2 3.39Å; E692-Y721 HydrophobicContact CB-CD1 4.09Å; E692-W723 VanDerWaalsContact CD-NE1 3.34Å; E692-W723 PolarHBondContact OE1-NE1 2.89Å; E692-W723 PolarHBondContact OE2-NE1 3.06Å
693	K	89.9	Confident	92.2	Very high	203 Å²	203	39.8 Å²	39.8	88%	0.883	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	128.5	-178.3	-173.3	177.5	-179.2	178.8	0	110.9	L695	K693-L695 VanDerWaalsContact C-N 3.34Å
694	G	90.2	Very high	91.9	Very high	21 Å²	21	37.4 Å²	37.4	22%	0.216	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-16.9	-180	0	0	0	0	0	114.3	E692 E697 D698 Y721	E692-G694 PolarHBondContact O-N 3.3Å; G694-E697 PolarHBondContact O-N 2.88Å; G694-D698 PolarHBondContact O-N 3.17Å; G694-Y721 PolarHBondContact O-OH 3.05Å
695	L	93.3	Very high	91.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.4	-41.8	-178.8	178.4	53.5	0	0	0	112.5	L691 E692 K693 E697 D698 I699 F716 F717 Y721 W723 I743	L691-L695 HydrophobicContact CD2-CD2 3.69Å; L691-L695 HydrophobicContact CD2-CG 4.42Å; E692-L695 WeakPolarHBondContact O-CB 3.43Å; E692-L695 PolarHBondContact O-N 3.42Å; E692-L695 VanDerWaalsContact O-N 3.11Å; E692-L695 WeakPolarHBondContact OE2-CD2 3.39Å; K693-L695 VanDerWaalsContact C-N 3.34Å; L695-E697 VanDerWaalsContact C-N 3.27Å; L695-E697 PolarHBondContact O-N 3.48Å; L695-D698 PolarHBondContact O-N 2.94Å; L695-I699 HydrophobicContact CD1-CD1 4.37Å; L695-I699 HydrophobicContact CD1-CG1 4.43Å; L695-I699 HydrophobicContact CG-CD1 4.36Å; L695-I699 WeakPolarHBondContact O-CG1 3.38Å; L695-I699 PolarHBondContact O-N 2.91Å; L695-I699 VanDerWaalsContact O-N 3.12Å; L695-F716 HydrophobicContact CD1-CE1 4.5Å; L695-F717 HydrophobicContact CD1-CD1 4.34Å; L695-F717 HydrophobicContact CD1-CE1 3.54Å; L695-F717 HydrophobicContact CD1-CZ 4.05Å; L695-F717 HydrophobicContact CD2-CD1 4.46Å; L695-F717 HydrophobicContact CD2-CE1 3.83Å; L695-F717 HydrophobicContact CG-CE1 4.27Å; L695-Y721 WeakPolarHBondContact CA-OH 3.25Å; L695-Y721 HydrophobicContact CB-CD1 4.32Å; L695-Y721 HydrophobicContact CB-CE1 3.82Å; L695-Y721 HydrophobicContact CB-CE2 4.37Å; L695-Y721 HydrophobicContact CD1-CD2 3.96Å; L695-Y721 HydrophobicContact CD1-CE2 3.61Å; L695-Y721 HydrophobicContact CG-CE2 4.5Å; L695-Y721 PolarHBondContact N-OH 2.84Å; L695-W723 HydrophobicContact CD2-CZ2 3.98Å; L695-I743 HydrophobicContact CD2-CD1 3.84Å; L695-I743 HydrophobicContact CG-CD1 4.23Å
696	A	92.5	Very high	91.2	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-40.5	173.4	0	0	0	0	0	112.1	I699 E700 P741 N785	A696-I699 PolarHBondContact O-N 3.06Å; A696-E700 WeakPolarHBondContact O-CG 3.42Å; A696-E700 PolarHBondContact O-N 3.26Å; A696-E700 VanDerWaalsContact O-N 3.17Å; A696-P741 HydrophobicContact CB-CB 3.87Å; A696-N785 HydrophobicContact CB-CB 4.36Å; A696-N785 WeakPolarHBondContact CB-OD1 2.95Å
697	E	90.8	Very high	90.7	Very high	100 Å²	100	47 Å²	47	47%	0.467	24%	0.243	S	C	.	.	H	α-helix	trans	-68.4	-39.4	178.1	-62.7	175.9	-175.6	0	0	111.5	G694 L695 I699 E700 N701	G694-E697 PolarHBondContact O-N 2.88Å; L695-E697 VanDerWaalsContact C-N 3.27Å; L695-E697 PolarHBondContact O-N 3.48Å; E697-I699 VanDerWaalsContact C-N 3.29Å; E697-I699 PolarHBondContact O-N 3.42Å; E697-E700 PolarHBondContact O-N 3.43Å; E697-N701 VanDerWaalsContact O-CB 3.25Å; E697-N701 WeakPolarHBondContact O-CB 3.18Å; E697-N701 VanDerWaalsContact O-CG 3.29Å; E697-N701 PolarHBondContact O-N 3.46Å; E697-N701 PolarHBondContact O-ND2 3.36Å
698	D	91.2	Very high	90.3	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-35.4	175.9	-92.4	-4.3	0	0	0	112.1	G694 L695 E702 V703 F716 K720 Y721	G694-D698 PolarHBondContact O-N 3.17Å; L695-D698 PolarHBondContact O-N 2.94Å; D698-E702 PolarHBondContact O-N 3.42Å; D698-V703 HydrophobicContact CB-CB 4.3Å; D698-V703 WeakPolarHBondContact O-CB 3.27Å; D698-V703 PolarHBondContact O-N 3.45Å; D698-F716 HydrophobicContact CB-CZ 4.23Å; D698-F716 WeakPolarHBondContact OD2-CZ 3.23Å; D698-K720 IonicContact OD1-NZ 2.75Å; D698-K720 IonicContact OD2-NZ 2.84Å; D698-K720 PolarHBondContact OD2-NZ 3.29Å; D698-Y721 VanDerWaalsContact CG-OH 3.28Å; D698-Y721 PolarHBondContact OD2-OH 2.7Å
699	I	91.6	Very high	89.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-69.6	-49.5	177.1	-61.5	162.5	0	0	0	110.7	L695 A696 E697 N701 E702 V704 F734 G740 I743	L695-I699 HydrophobicContact CD1-CD1 4.37Å; L695-I699 HydrophobicContact CD1-CG1 4.43Å; L695-I699 HydrophobicContact CG-CD1 4.36Å; L695-I699 WeakPolarHBondContact O-CG1 3.38Å; L695-I699 PolarHBondContact O-N 2.91Å; L695-I699 VanDerWaalsContact O-N 3.12Å; A696-I699 PolarHBondContact O-N 3.06Å; E697-I699 VanDerWaalsContact C-N 3.29Å; E697-I699 PolarHBondContact O-N 3.42Å; I699-N701 VanDerWaalsContact C-N 3.33Å; I699-N701 PolarHBondContact O-N 3.24Å; I699-E702 WeakPolarHBondContact O-CA 3.1Å; I699-E702 PolarHBondContact O-N 2.95Å; I699-V704 HydrophobicContact CB-CG1 4.21Å; I699-V704 HydrophobicContact CG1-CG1 3.57Å; I699-F734 HydrophobicContact CD1-CD1 4.19Å; I699-F734 HydrophobicContact CD1-CE1 4.02Å; I699-F734 HydrophobicContact CD1-CZ 4.31Å; I699-F734 HydrophobicContact CG1-CE1 4.34Å; I699-F734 HydrophobicContact CG1-CE2 4.28Å; I699-F734 HydrophobicContact CG1-CZ 4.12Å; I699-F734 HydrophobicContact CG2-CB 4.37Å; I699-F734 HydrophobicContact CG2-CD2 3.59Å; I699-F734 HydrophobicContact CG2-CE2 3.9Å; I699-F734 HydrophobicContact CG2-CG 3.93Å; I699-F734 HydrophobicContact CG2-CZ 4.49Å; I699-G740 VanDerWaalsContact CG2-O 3.28Å; I699-G740 WeakPolarHBondContact CG2-O 3.37Å; I699-I743 HydrophobicContact CD1-CD1 3.94Å; I699-I743 HydrophobicContact CD1-CG1 3.83Å
700	E	89.1	Confident	89.6	Confident	71 Å²	71	61 Å²	61	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-34.3	-179.9	-69.2	-178.2	141.9	0	0	112.9	K580 A696 E697 E702 P741 R784	K580-E700 PolarHBondContact NZ-O 2.7Å; A696-E700 WeakPolarHBondContact O-CG 3.42Å; A696-E700 PolarHBondContact O-N 3.26Å; A696-E700 VanDerWaalsContact O-N 3.17Å; E697-E700 PolarHBondContact O-N 3.43Å; E700-E702 PolarHBondContact O-N 2.91Å; E700-P741 HydrophobicContact CG-CB 4.17Å; E700-R784 IonicContact OE1-CZ 3.57Å; E700-R784 IonicContact OE1-NH1 2.79Å; E700-R784 PolarHBondContact OE1-NH1 3.33Å; E700-R784 IonicContact OE1-NH2 2.68Å; E700-R784 IonicContact OE2-CZ 2.87Å; E700-R784 VanDerWaalsContact OE2-CZ 3.27Å; E700-R784 IonicContact OE2-NH1 3.47Å; E700-R784 PolarHBondContact OE2-NH1 3.22Å; E700-R784 IonicContact OE2-NH2 3.63Å; E700-R784 PolarHBondContact OE2-NH2 3.47Å
701	N	85.3	Confident	89.2	Confident	61 Å²	61	65.2 Å²	65.2	33%	0.326	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.1	172.6	-72.2	-59.8	0	0	0	112.6	K580 E697 I699 V703	K580-N701 PolarHBondContact NZ-O 3.19Å; E697-N701 VanDerWaalsContact O-CB 3.25Å; E697-N701 WeakPolarHBondContact O-CB 3.18Å; E697-N701 VanDerWaalsContact O-CG 3.29Å; E697-N701 PolarHBondContact O-N 3.46Å; E697-N701 PolarHBondContact O-ND2 3.36Å; I699-N701 VanDerWaalsContact C-N 3.33Å; I699-N701 PolarHBondContact O-N 3.24Å; N701-V703 HydrophobicContact CB-CG2 4Å; N701-V703 PolarHBondContact O-N 3.27Å
702	E	86.4	Confident	89	Confident	62 Å²	62	69 Å²	69	29%	0.29	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	28.6	-178.4	-63.1	170	167.2	0	0	113.7	K580 D698 I699 E700 V704 T739	K580-E702 VanDerWaalsContact NZ-CG 3.25Å; K580-E702 IonicContact NZ-OE1 3.35Å; K580-E702 IonicContact NZ-OE2 2.65Å; K580-E702 PolarHBondContact NZ-OE2 3.36Å; D698-E702 PolarHBondContact O-N 3.42Å; I699-E702 WeakPolarHBondContact O-CA 3.1Å; I699-E702 PolarHBondContact O-N 2.95Å; E700-E702 PolarHBondContact O-N 2.91Å; E702-V704 PolarHBondContact O-N 2.83Å; E702-T739 HydrophobicContact CG-CG2 3.86Å
703	V	85.9	Confident	88.9	Confident	56 Å²	56	66 Å²	66	34%	0.339	32%	0.317	S	S	.	.	S	Bend	trans	-66.9	-26.3	170.8	-173.1	0	0	0	0	110	D698 N701 W708 F716	D698-V703 HydrophobicContact CB-CB 4.3Å; D698-V703 WeakPolarHBondContact O-CB 3.27Å; D698-V703 PolarHBondContact O-N 3.45Å; N701-V703 HydrophobicContact CB-CG2 4Å; N701-V703 PolarHBondContact O-N 3.27Å; V703-W708 WeakPolarHBondContact O-CH2 3.24Å; V703-F716 HydrophobicContact CG1-CE2 3.78Å; V703-F716 HydrophobicContact CG1-CZ 4.21Å
704	V	88.6	Confident	88.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-129.1	139.8	174.6	62.9	0	0	0	0	110.2	I699 E702 L713 F716 F717 F734	I699-V704 HydrophobicContact CB-CG1 4.21Å; I699-V704 HydrophobicContact CG1-CG1 3.57Å; E702-V704 PolarHBondContact O-N 2.83Å; V704-L713 HydrophobicContact CG2-CD1 3.27Å; V704-F716 HydrophobicContact CB-CD1 4.07Å; V704-F716 HydrophobicContact CB-CE1 3.8Å; V704-F716 HydrophobicContact CB-CZ 4.07Å; V704-F716 HydrophobicContact CG1-CE1 4.06Å; V704-F716 HydrophobicContact CG1-CZ 4.4Å; V704-F716 HydrophobicContact CG2-CD1 3.97Å; V704-F716 HydrophobicContact CG2-CE1 4.17Å; V704-F716 HydrophobicContact CG2-CG 4.48Å; V704-F717 HydrophobicContact CG2-CE2 3.96Å; V704-F734 HydrophobicContact CG1-CE2 4.1Å; V704-F734 HydrophobicContact CG1-CZ 4.08Å; V704-F734 HydrophobicContact CG2-CE2 4.34Å; V704-F734 HydrophobicContact CG2-CZ 4.14Å
705	Q	87.1	Confident	89	Confident	44 Å²	44	59.7 Å²	59.7	21%	0.206	29%	0.285	C	S	.	.			trans	-134.3	142.3	179.6	-63.9	175.3	-13.6	0	0	110.3	T707 W708	Q705-T707 PolarHBondContact O-N 3.49Å; Q705-W708 HydrophobicContact CB-CG 4.3Å; Q705-W708 WeakPolarHBondContact O-CB 3.12Å; Q705-W708 PolarHBondContact O-N 2.85Å; Q705-W708 VanDerWaalsContact OE1-NE1 3.1Å
706	I	86.6	Confident	88.9	Confident	52 Å²	52	61 Å²	61	27%	0.267	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.1	177.9	-162.8	63.3	0	0	0	112.8	W708 L713 I731 F734	I706-W708 PolarHBondContact O-N 2.94Å; I706-L713 HydrophobicContact CD1-CD2 4.17Å; I706-I731 HydrophobicContact CD1-CG2 3.9Å; I706-F734 HydrophobicContact CB-CD2 4.4Å
707	T	84.7	Confident	89	Confident	116 Å²	116	60.8 Å²	60.8	71%	0.712	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.7	175.9	56.3	0	0	0	0	112.5	Q705	Q705-T707 PolarHBondContact O-N 3.49Å
708	W	86.1	Confident	89	Confident	68 Å²	68	60.2 Å²	60.2	26%	0.258	29%	0.287	S	S	.	.	S	Bend	trans	-67.4	154.6	177.2	-69.1	6.6	0	0	0	111.6	V703 Q705 I706 R710 K712	V703-W708 WeakPolarHBondContact O-CH2 3.24Å; Q705-W708 HydrophobicContact CB-CG 4.3Å; Q705-W708 WeakPolarHBondContact O-CB 3.12Å; Q705-W708 PolarHBondContact O-N 2.85Å; Q705-W708 VanDerWaalsContact OE1-NE1 3.1Å; I706-W708 PolarHBondContact O-N 2.94Å; W708-R710 PolarHBondContact O-N 2.88Å; W708-K712 HydrophobicContact CD2-CD 3.85Å; W708-K712 HydrophobicContact CE3-CD 3.48Å; W708-K712 VanDerWaalsContact CE3-CD 3.48Å; W708-K712 VanDerWaalsContact CE3-CE 3.47Å; W708-K712 HydrophobicContact CE3-CG 3.78Å; W708-K712 HydrophobicContact CG-CD 4.35Å; W708-K712 HydrophobicContact CZ3-CD 3.94Å; W708-K712 HydrophobicContact CZ3-CG 4.19Å
709	N	88.7	Confident	89.1	Confident	104 Å²	104	64.3 Å²	64.3	56%	0.556	31%	0.313	S	S	*	.			trans	-56.7	133.5	169.2	46.4	-12.6	0	0	0	111.4	K711 K712 L713	N709-K711 PolarHBondContact O-N 2.84Å; N709-K712 PolarHBondContact O-N 3.02Å; N709-K712 WeakPolarHBondContact OD1-CB 3.34Å; N709-L713 PolarHBondContact O-N 2.82Å; N709-L713 VanDerWaalsContact O-N 3.09Å
710	R	88.4	Confident	89.1	Confident	171 Å²	171	69.4 Å²	69.4	65%	0.645	34%	0.335	S	S	*	.	H	α-helix	trans	-53.4	-26	-176.7	-61.1	-172.5	-172.4	179	5.3	114.6	W708 G714	W708-R710 PolarHBondContact O-N 2.88Å; R710-G714 PolarHBondContact O-N 3.34Å
711	K	89	Confident	89.3	Confident	132 Å²	132	68 Å²	68	57%	0.574	33%	0.327	S	S	*	.	H	α-helix	trans	-68.2	-50.3	175.5	-175.6	-178.7	172.1	-172	0	111.6	N709 L713 G714 E715	N709-K711 PolarHBondContact O-N 2.84Å; K711-L713 VanDerWaalsContact C-N 3.33Å; K711-G714 PolarHBondContact O-N 3.06Å; K711-E715 WeakPolarHBondContact CE-OE1 3.35Å; K711-E715 WeakPolarHBondContact O-CG 3.47Å; K711-E715 PolarHBondContact O-N 3.05Å
712	K	90.8	Very high	89.6	Confident	89 Å²	89	72 Å²	72	39%	0.387	35%	0.348	S	S	.	.	H	α-helix	trans	-65	-40.3	178.3	-172	-175.8	178.9	-162.8	0	110.8	W708 N709 E715 F716	W708-K712 HydrophobicContact CD2-CD 3.85Å; W708-K712 HydrophobicContact CE3-CD 3.48Å; W708-K712 VanDerWaalsContact CE3-CD 3.48Å; W708-K712 VanDerWaalsContact CE3-CE 3.47Å; W708-K712 HydrophobicContact CE3-CG 3.78Å; W708-K712 HydrophobicContact CG-CD 4.35Å; W708-K712 HydrophobicContact CZ3-CD 3.94Å; W708-K712 HydrophobicContact CZ3-CG 4.19Å; N709-K712 PolarHBondContact O-N 3.02Å; N709-K712 WeakPolarHBondContact OD1-CB 3.34Å; K712-E715 PolarHBondContact O-N 2.92Å; K712-F716 PolarHBondContact O-N 2.94Å
713	L	90.1	Very high	89.9	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-57.8	-50.6	172.5	-168.8	67	0	0	0	110.7	V704 I706 N709 K711 E715 F716 F717 I731	V704-L713 HydrophobicContact CG2-CD1 3.27Å; I706-L713 HydrophobicContact CD1-CD2 4.17Å; N709-L713 PolarHBondContact O-N 2.82Å; N709-L713 VanDerWaalsContact O-N 3.09Å; K711-L713 VanDerWaalsContact C-N 3.33Å; L713-E715 PolarHBondContact O-N 2.79Å; L713-F716 WeakPolarHBondContact O-CB 3.43Å; L713-F716 PolarHBondContact O-N 3.47Å; L713-F717 HydrophobicContact CD1-CD2 4.15Å; L713-F717 HydrophobicContact CD1-CE2 3.7Å; L713-F717 HydrophobicContact CG-CD2 4.18Å; L713-F717 HydrophobicContact CG-CE2 4.1Å; L713-F717 WeakPolarHBondContact O-CD2 3.43Å; L713-F717 PolarHBondContact O-N 2.63Å; L713-I731 HydrophobicContact CD2-CB 4.14Å; L713-I731 HydrophobicContact CD2-CD1 4.28Å; L713-I731 HydrophobicContact CD2-CG2 4.42Å; L713-I731 HydrophobicContact CG-CD1 4.41Å
714	G	90	Very high	90	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-58.6	-43.1	177.3	0	0	0	0	0	113.8	R710 K711 F716 F717 Q718	R710-G714 PolarHBondContact O-N 3.34Å; K711-G714 PolarHBondContact O-N 3.06Å; G714-F716 VanDerWaalsContact C-N 3.34Å; G714-F716 PolarHBondContact O-N 2.97Å; G714-F717 PolarHBondContact O-N 2.69Å; G714-Q718 VanDerWaalsContact O-CB 3.23Å; G714-Q718 WeakPolarHBondContact O-CB 3.42Å; G714-Q718 PolarHBondContact O-N 2.77Å
715	E	91.9	Very high	89.9	Confident	91 Å²	91	75.1 Å²	75.1	43%	0.425	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-38.6	177.4	-75	169.2	-171.7	0	0	112.3	K711 K712 L713 T719	K711-E715 WeakPolarHBondContact CE-OE1 3.35Å; K711-E715 WeakPolarHBondContact O-CG 3.47Å; K711-E715 PolarHBondContact O-N 3.05Å; K712-E715 PolarHBondContact O-N 2.92Å; L713-E715 PolarHBondContact O-N 2.79Å; E715-T719 VanDerWaalsContact O-CB 3.22Å; E715-T719 WeakPolarHBondContact O-CB 3.24Å; E715-T719 PolarHBondContact O-N 3.42Å; E715-T719 PolarHBondContact O-OG1 3.42Å
716	F	93.1	Very high	89.8	Confident	27 Å²	27	77.6 Å²	77.6	12%	0.118	38%	0.378	C	S	.	.	H	α-helix	trans	-61.6	-53.9	176.6	175.6	-93.1	0	0	0	111.7	L695 D698 V703 V704 K712 L713 G714 Q718 T719 K720 Y721	L695-F716 HydrophobicContact CD1-CE1 4.5Å; D698-F716 HydrophobicContact CB-CZ 4.23Å; D698-F716 WeakPolarHBondContact OD2-CZ 3.23Å; V703-F716 HydrophobicContact CG1-CE2 3.78Å; V703-F716 HydrophobicContact CG1-CZ 4.21Å; V704-F716 HydrophobicContact CB-CD1 4.07Å; V704-F716 HydrophobicContact CB-CE1 3.8Å; V704-F716 HydrophobicContact CB-CZ 4.07Å; V704-F716 HydrophobicContact CG1-CE1 4.06Å; V704-F716 HydrophobicContact CG1-CZ 4.4Å; V704-F716 HydrophobicContact CG2-CD1 3.97Å; V704-F716 HydrophobicContact CG2-CE1 4.17Å; V704-F716 HydrophobicContact CG2-CG 4.48Å; K712-F716 PolarHBondContact O-N 2.94Å; L713-F716 WeakPolarHBondContact O-CB 3.43Å; L713-F716 PolarHBondContact O-N 3.47Å; G714-F716 VanDerWaalsContact C-N 3.34Å; G714-F716 PolarHBondContact O-N 2.97Å; F716-Q718 VanDerWaalsContact C-N 3.34Å; F716-Q718 PolarHBondContact O-N 2.91Å; F716-T719 PolarHBondContact O-N 3.45Å; F716-K720 HydrophobicContact CD2-CD 4.26Å; F716-K720 HydrophobicContact CE2-CD 3.56Å; F716-K720 VanDerWaalsContact CE2-CE 3.45Å; F716-K720 HydrophobicContact CE2-CG 4.3Å; F716-K720 HydrophobicContact CZ-CD 3.73Å; F716-K720 WeakPolarHBondContact O-CB 3.49Å; F716-K720 PolarHBondContact O-N 3.23Å; F716-Y721 HydrophobicContact CE1-CD2 4.3Å; F716-Y721 AromaticContact CE1-CE2 3.88Å; F716-Y721 HydrophobicContact CE1-CE2 3.88Å; F716-Y721 HydrophobicContact CZ-CE2 4.1Å
717	F	92.9	Very high	89.8	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-37.1	-178.9	-81.8	-83.5	0	0	0	112.3	L695 V704 L713 G714 Y721 D722 W723 A728 I731 F734 I743	L695-F717 HydrophobicContact CD1-CD1 4.34Å; L695-F717 HydrophobicContact CD1-CE1 3.54Å; L695-F717 HydrophobicContact CD1-CZ 4.05Å; L695-F717 HydrophobicContact CD2-CD1 4.46Å; L695-F717 HydrophobicContact CD2-CE1 3.83Å; L695-F717 HydrophobicContact CG-CE1 4.27Å; V704-F717 HydrophobicContact CG2-CE2 3.96Å; L713-F717 HydrophobicContact CD1-CD2 4.15Å; L713-F717 HydrophobicContact CD1-CE2 3.7Å; L713-F717 HydrophobicContact CG-CD2 4.18Å; L713-F717 HydrophobicContact CG-CE2 4.1Å; L713-F717 WeakPolarHBondContact O-CD2 3.43Å; L713-F717 PolarHBondContact O-N 2.63Å; G714-F717 PolarHBondContact O-N 2.69Å; F717-Y721 CarbonylContact O-C 3.33Å; F717-Y721 PolarHBondContact O-N 2.81Å; F717-D722 PolarHBondContact O-N 2.71Å; F717-W723 HydrophobicContact CB-CB 3.98Å; F717-W723 HydrophobicContact CB-CD2 4.26Å; F717-W723 HydrophobicContact CB-CE3 4.34Å; F717-W723 HydrophobicContact CB-CG 4.13Å; F717-W723 AromaticContact CD1-CD2 3.71Å; F717-W723 HydrophobicContact CD1-CD2 3.71Å; F717-W723 AromaticContact CD1-CE2 3.9Å; F717-W723 AromaticContact CD1-CE3 3.83Å; F717-W723 HydrophobicContact CD1-CE3 3.83Å; F717-W723 HydrophobicContact CD1-CG 4.21Å; F717-W723 HydrophobicContact CD1-CH2 4.24Å; F717-W723 HydrophobicContact CD1-CZ2 4.17Å; F717-W723 HydrophobicContact CD1-CZ3 4.1Å; F717-W723 HydrophobicContact CE1-CE3 4.46Å; F717-W723 HydrophobicContact CE1-CH2 4.11Å; F717-W723 HydrophobicContact CE1-CZ2 4.19Å; F717-W723 HydrophobicContact CE1-CZ3 4.27Å; F717-W723 HydrophobicContact CG-CD2 4.33Å; F717-W723 HydrophobicContact CG-CE3 4.24Å; F717-W723 PolarHBondContact O-N 3.49Å; F717-A728 HydrophobicContact CB-CB 3.84Å; F717-I731 HydrophobicContact CD1-CD1 4.33Å; F717-I731 HydrophobicContact CD2-CD1 3.52Å; F717-I731 HydrophobicContact CE1-CD1 4.12Å; F717-I731 HydrophobicContact CE2-CD1 3.31Å; F717-I731 HydrophobicContact CG-CD1 4.06Å; F717-I731 HydrophobicContact CZ-CD1 3.65Å; F717-F734 HydrophobicContact CE2-CZ 4.4Å; F717-F734 HydrophobicContact CZ-CE1 4.28Å; F717-F734 HydrophobicContact CZ-CZ 4.18Å; F717-I743 HydrophobicContact CE1-CD1 3.67Å; F717-I743 HydrophobicContact CZ-CD1 3.79Å
718	Q	92.1	Very high	90	Very high	87 Å²	87	70.3 Å²	70.3	41%	0.407	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-42.6	175.9	-175.4	176	30.1	0	0	112.1	G714 F716 D722	G714-Q718 VanDerWaalsContact O-CB 3.23Å; G714-Q718 WeakPolarHBondContact O-CB 3.42Å; G714-Q718 PolarHBondContact O-N 2.77Å; F716-Q718 VanDerWaalsContact C-N 3.34Å; F716-Q718 PolarHBondContact O-N 2.91Å; Q718-D722 WeakPolarHBondContact O-CA 3.13Å; Q718-D722 PolarHBondContact O-N 2.76Å
719	T	92.6	Very high	90	Very high	113 Å²	113	72.8 Å²	72.8	69%	0.693	35%	0.346	S	S	*	.	H	α-helix	trans	-81.5	-37.6	-172.2	-52.1	0	0	0	0	112.7	E715 F716	E715-T719 VanDerWaalsContact O-CB 3.22Å; E715-T719 WeakPolarHBondContact O-CB 3.24Å; E715-T719 PolarHBondContact O-N 3.42Å; E715-T719 PolarHBondContact O-OG1 3.42Å; F716-T719 PolarHBondContact O-N 3.45Å
720	K	92.3	Very high	90.1	Very high	107 Å²	107	69 Å²	69	47%	0.465	33%	0.328	S	S	.	.	H	α-helix	trans	-89.3	-36	-177	-79.3	-156.1	-178.3	-173.1	0	113.9	D698 F716	D698-K720 IonicContact OD1-NZ 2.75Å; D698-K720 IonicContact OD2-NZ 2.84Å; D698-K720 PolarHBondContact OD2-NZ 3.29Å; F716-K720 HydrophobicContact CD2-CD 4.26Å; F716-K720 HydrophobicContact CE2-CD 3.56Å; F716-K720 VanDerWaalsContact CE2-CE 3.45Å; F716-K720 HydrophobicContact CE2-CG 4.3Å; F716-K720 HydrophobicContact CZ-CD 3.73Å; F716-K720 WeakPolarHBondContact O-CB 3.49Å; F716-K720 PolarHBondContact O-N 3.23Å
721	Y	92.8	Very high	90.4	Very high	42 Å²	42	61.3 Å²	61.3	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-123.6	8.7	-168.3	-61.9	-78.3	0	0	0	112.8	E692 G694 L695 D698 F716 F717 W723	E692-Y721 HydrophobicContact CB-CD1 4.09Å; G694-Y721 PolarHBondContact O-OH 3.05Å; L695-Y721 WeakPolarHBondContact CA-OH 3.25Å; L695-Y721 HydrophobicContact CB-CD1 4.32Å; L695-Y721 HydrophobicContact CB-CE1 3.82Å; L695-Y721 HydrophobicContact CB-CE2 4.37Å; L695-Y721 HydrophobicContact CD1-CD2 3.96Å; L695-Y721 HydrophobicContact CD1-CE2 3.61Å; L695-Y721 HydrophobicContact CG-CE2 4.5Å; L695-Y721 PolarHBondContact N-OH 2.84Å; D698-Y721 VanDerWaalsContact CG-OH 3.28Å; D698-Y721 PolarHBondContact OD2-OH 2.7Å; F716-Y721 HydrophobicContact CE1-CD2 4.3Å; F716-Y721 AromaticContact CE1-CE2 3.88Å; F716-Y721 HydrophobicContact CE1-CE2 3.88Å; F716-Y721 HydrophobicContact CZ-CE2 4.1Å; F717-Y721 CarbonylContact O-C 3.33Å; F717-Y721 PolarHBondContact O-N 2.81Å; Y721-W723 PolarHBondContact O-N 3.36Å
722	D	91.9	Very high	90.6	Very high	146 Å²	146	56.3 Å²	56.3	78%	0.781	28%	0.277	S	S	*	.			trans	54.8	31.6	178.9	-63.2	-40.4	0	0	0	114.3	F717 Q718	F717-D722 PolarHBondContact O-N 2.71Å; Q718-D722 WeakPolarHBondContact O-CA 3.13Å; Q718-D722 PolarHBondContact O-N 2.76Å
723	W	92.1	Very high	90.8	Very high	16 Å²	16	52.4 Å²	52.4	6%	0.061	26%	0.261	C	S	.	.			trans	-69.8	146.7	176.9	-80.3	30.4	0	0	0	112.1	L691 E692 L695 F717 Y721 A728 I731 I743 V745 K787	L691-W723 HydrophobicContact CD2-CZ2 4.48Å; E692-W723 VanDerWaalsContact CD-NE1 3.34Å; E692-W723 PolarHBondContact OE1-NE1 2.89Å; E692-W723 PolarHBondContact OE2-NE1 3.06Å; L695-W723 HydrophobicContact CD2-CZ2 3.98Å; F717-W723 HydrophobicContact CB-CB 3.98Å; F717-W723 HydrophobicContact CB-CD2 4.26Å; F717-W723 HydrophobicContact CB-CE3 4.34Å; F717-W723 HydrophobicContact CB-CG 4.13Å; F717-W723 AromaticContact CD1-CD2 3.71Å; F717-W723 HydrophobicContact CD1-CD2 3.71Å; F717-W723 AromaticContact CD1-CE2 3.9Å; F717-W723 AromaticContact CD1-CE3 3.83Å; F717-W723 HydrophobicContact CD1-CE3 3.83Å; F717-W723 HydrophobicContact CD1-CG 4.21Å; F717-W723 HydrophobicContact CD1-CH2 4.24Å; F717-W723 HydrophobicContact CD1-CZ2 4.17Å; F717-W723 HydrophobicContact CD1-CZ3 4.1Å; F717-W723 HydrophobicContact CE1-CE3 4.46Å; F717-W723 HydrophobicContact CE1-CH2 4.11Å; F717-W723 HydrophobicContact CE1-CZ2 4.19Å; F717-W723 HydrophobicContact CE1-CZ3 4.27Å; F717-W723 HydrophobicContact CG-CD2 4.33Å; F717-W723 HydrophobicContact CG-CE3 4.24Å; F717-W723 PolarHBondContact O-N 3.49Å; Y721-W723 PolarHBondContact O-N 3.36Å; W723-A728 HydrophobicContact CB-CB 4.32Å; W723-A728 HydrophobicContact CE3-CB 4.41Å; W723-I731 HydrophobicContact CE3-CD1 4.47Å; W723-I731 HydrophobicContact CZ3-CD1 3.96Å; W723-I731 HydrophobicContact CZ3-CG1 4.14Å; W723-I743 HydrophobicContact CH2-CD1 3.9Å; W723-I743 HydrophobicContact CH2-CG2 4.37Å; W723-I743 HydrophobicContact CZ2-CD1 4.34Å; W723-V745 HydrophobicContact CH2-CG2 4.17Å; W723-V745 HydrophobicContact CZ3-CG2 4.01Å; W723-K787 HydrophobicContact CH2-CD 3.58Å; W723-K787 HydrophobicContact CZ2-CD 3.67Å
724	D	88.9	Confident	91.1	Very high	111 Å²	111	52.1 Å²	52.1	59%	0.594	26%	0.26	S	S	*	.			trans	-63.7	139.3	168.6	-175.8	21.3	0	0	0	110.5	L726 A727 A728	D724-L726 PolarHBondContact O-N 3.27Å; D724-A727 PolarHBondContact O-N 3.36Å; D724-A728 WeakPolarHBondContact O-CB 3.39Å; D724-A728 PolarHBondContact O-N 2.74Å
725	L	85.3	Confident	91	Very high	55 Å²	55	52.1 Å²	52.1	29%	0.288	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-31.3	-177.7	-173.3	67.2	0	0	0	111.8	R729	L725-R729 HydrophobicContact CD1-CG 4.49Å; L725-R729 WeakPolarHBondContact O-CB 3.36Å; L725-R729 VanDerWaalsContact O-CG 3.26Å; L725-R729 WeakPolarHBondContact O-CG 3.22Å; L725-R729 PolarHBondContact O-N 3.07Å
726	L	85.4	Confident	90.9	Very high	97 Å²	97	48.4 Å²	48.4	51%	0.508	24%	0.244	S	C	.	.	H	α-helix	trans	-67.7	-50.4	177.5	-168.8	144.5	0	0	0	110.8	D724 R729 S730	D724-L726 PolarHBondContact O-N 3.27Å; L726-R729 PolarHBondContact O-N 3.46Å; L726-S730 PolarHBondContact O-N 2.81Å; L726-S730 PolarHBondContact O-OG 3.38Å
727	A	86.1	Confident	90.7	Very high	15 Å²	15	50.9 Å²	50.9	12%	0.124	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-43.1	176.8	0	0	0	0	0	112.1	D724 R729 S730	D724-A727 PolarHBondContact O-N 3.36Å; A727-R729 VanDerWaalsContact C-N 3.28Å; A727-R729 PolarHBondContact O-N 2.72Å; A727-S730 PolarHBondContact O-N 3.46Å
728	A	88.8	Confident	90.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-29	-178.3	0	0	0	0	0	113.4	F717 W723 D724 S730	F717-A728 HydrophobicContact CB-CB 3.84Å; W723-A728 HydrophobicContact CB-CB 4.32Å; W723-A728 HydrophobicContact CE3-CB 4.41Å; D724-A728 WeakPolarHBondContact O-CB 3.39Å; D724-A728 PolarHBondContact O-N 2.74Å; A728-S730 VanDerWaalsContact C-N 3.34Å
729	R	87.3	Confident	90	Very high	119 Å²	119	53.3 Å²	53.3	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-82.7	-13.2	174.9	-73.5	177.6	177.5	-172.6	2.3	113.8	L725 L726 A727	L725-R729 HydrophobicContact CD1-CG 4.49Å; L725-R729 WeakPolarHBondContact O-CB 3.36Å; L725-R729 VanDerWaalsContact O-CG 3.26Å; L725-R729 WeakPolarHBondContact O-CG 3.22Å; L725-R729 PolarHBondContact O-N 3.07Å; L726-R729 PolarHBondContact O-N 3.46Å; A727-R729 VanDerWaalsContact C-N 3.28Å; A727-R729 PolarHBondContact O-N 2.72Å
730	S	91.3	Very high	89.9	Confident	25 Å²	25	48.2 Å²	48.2	18%	0.175	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	14.5	-178.2	-60.1	0	0	0	0	113.1	L726 A727 A728 W732 D746	L726-S730 PolarHBondContact O-N 2.81Å; L726-S730 PolarHBondContact O-OG 3.38Å; A727-S730 PolarHBondContact O-N 3.46Å; A728-S730 VanDerWaalsContact C-N 3.34Å; S730-W732 PolarHBondContact O-N 3.35Å; S730-D746 WeakPolarHBondContact CB-O 3.49Å; S730-D746 PolarHBondContact O-N 3.06Å; S730-D746 PolarHBondContact OG-O 3.06Å
731	I	94.1	Very high	90	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.046	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127	170.2	-60.5	170.7	0	0	0	108.9	I706 L713 F717 W723 F734 I743 V745	I706-I731 HydrophobicContact CD1-CG2 3.9Å; L713-I731 HydrophobicContact CD2-CB 4.14Å; L713-I731 HydrophobicContact CD2-CD1 4.28Å; L713-I731 HydrophobicContact CD2-CG2 4.42Å; L713-I731 HydrophobicContact CG-CD1 4.41Å; F717-I731 HydrophobicContact CD1-CD1 4.33Å; F717-I731 HydrophobicContact CD2-CD1 3.52Å; F717-I731 HydrophobicContact CE1-CD1 4.12Å; F717-I731 HydrophobicContact CE2-CD1 3.31Å; F717-I731 HydrophobicContact CG-CD1 4.06Å; F717-I731 HydrophobicContact CZ-CD1 3.65Å; W723-I731 HydrophobicContact CE3-CD1 4.47Å; W723-I731 HydrophobicContact CZ3-CD1 3.96Å; W723-I731 HydrophobicContact CZ3-CG1 4.14Å; I731-F734 HydrophobicContact CG2-CE1 4.12Å; I731-I743 HydrophobicContact CG1-CG2 4.21Å; I731-I743 HydrophobicContact CG2-CG2 3.81Å; I731-V745 HydrophobicContact CG1-CG2 4.28Å
732	W	93.7	Very high	90.2	Very high	28 Å²	28	41.6 Å²	41.6	11%	0.106	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-44.8	-177	-78.7	16	0	0	0	113.2	S730 L744 D746 L758 K762 I765 V766 I790	S730-W732 PolarHBondContact O-N 3.35Å; W732-L744 HydrophobicContact CB-CD2 4.21Å; W732-L744 HydrophobicContact CB-CG 4.34Å; W732-L744 HydrophobicContact CE3-CD2 3.96Å; W732-L744 PolarHBondContact N-O 3.29Å; W732-D746 HydrophobicContact CD2-CB 4.33Å; W732-D746 VanDerWaalsContact CE2-CB 3.5Å; W732-D746 HydrophobicContact CZ2-CB 3.68Å; W732-D746 VanDerWaalsContact NE1-CB 3.26Å; W732-L758 HydrophobicContact CH2-CD1 3.75Å; W732-L758 HydrophobicContact CH2-CD2 3.88Å; W732-L758 HydrophobicContact CH2-CG 3.59Å; W732-L758 HydrophobicContact CZ2-CD2 3.85Å; W732-L758 HydrophobicContact CZ2-CG 3.91Å; W732-K762 HydrophobicContact CD2-CD 4.28Å; W732-K762 HydrophobicContact CD2-CG 3.89Å; W732-K762 HydrophobicContact CE3-CG 3.71Å; W732-K762 HydrophobicContact CG-CD 4.47Å; W732-K762 HydrophobicContact CG-CG 4.47Å; W732-K762 HydrophobicContact CH2-CG 4.43Å; W732-K762 HydrophobicContact CZ3-CB 4.36Å; W732-K762 HydrophobicContact CZ3-CG 3.99Å; W732-I765 HydrophobicContact CH2-CD1 4.44Å; W732-I765 HydrophobicContact CZ3-CB 4.24Å; W732-I765 HydrophobicContact CZ3-CD1 4.03Å; W732-I765 HydrophobicContact CZ3-CG2 4.15Å; W732-V766 HydrophobicContact CB-CG2 4.36Å; W732-V766 HydrophobicContact CE3-CG2 4.44Å; W732-I790 HydrophobicContact CE3-CD1 3.92Å; W732-I790 HydrophobicContact CH2-CD1 3.77Å; W732-I790 HydrophobicContact CZ2-CD1 4.49Å; W732-I790 HydrophobicContact CZ3-CD1 3.45Å; W732-I790 VanDerWaalsContact CZ3-CD1 3.45Å
733	A	94.6	Very high	90.4	Very high	6 Å²	6	34.7 Å²	34.7	5%	0.05	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	158.8	-175	0	0	0	0	0	111.3	L744 V766	A733-L744 PolarHBondContact O-N 2.96Å; A733-V766 HydrophobicContact CB-CB 4.36Å; A733-V766 HydrophobicContact CB-CG1 3.56Å; A733-V766 HydrophobicContact CB-CG2 3.89Å
734	F	95.4	Very high	90.6	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	155.4	158.9	-60.2	-36	0	0	0	109.7	I699 V704 I706 F717 I731 D737 N742 I743 Q770	I699-F734 HydrophobicContact CD1-CD1 4.19Å; I699-F734 HydrophobicContact CD1-CE1 4.02Å; I699-F734 HydrophobicContact CD1-CZ 4.31Å; I699-F734 HydrophobicContact CG1-CE1 4.34Å; I699-F734 HydrophobicContact CG1-CE2 4.28Å; I699-F734 HydrophobicContact CG1-CZ 4.12Å; I699-F734 HydrophobicContact CG2-CB 4.37Å; I699-F734 HydrophobicContact CG2-CD2 3.59Å; I699-F734 HydrophobicContact CG2-CE2 3.9Å; I699-F734 HydrophobicContact CG2-CG 3.93Å; I699-F734 HydrophobicContact CG2-CZ 4.49Å; V704-F734 HydrophobicContact CG1-CE2 4.1Å; V704-F734 HydrophobicContact CG1-CZ 4.08Å; V704-F734 HydrophobicContact CG2-CE2 4.34Å; V704-F734 HydrophobicContact CG2-CZ 4.14Å; I706-F734 HydrophobicContact CB-CD2 4.4Å; F717-F734 HydrophobicContact CE2-CZ 4.4Å; F717-F734 HydrophobicContact CZ-CE1 4.28Å; F717-F734 HydrophobicContact CZ-CZ 4.18Å; I731-F734 HydrophobicContact CG2-CE1 4.12Å; F734-D737 CarbonylContact C-O 3.46Å; F734-D737 VanDerWaalsContact O-O 3.11Å; F734-N742 WeakPolarHBondContact CA-O 3.37Å; F734-I743 HydrophobicContact CD1-CB 4.42Å; F734-I743 HydrophobicContact CD1-CG1 3.89Å; F734-I743 HydrophobicContact CD1-CG2 4.39Å; F734-I743 HydrophobicContact CE1-CB 4.5Å; F734-I743 HydrophobicContact CE1-CD1 4.06Å; F734-I743 HydrophobicContact CE1-CG1 3.79Å; F734-I743 HydrophobicContact CE1-CG2 4.21Å; F734-Q770 PolarHBondContact O-NE2 3.08Å
735	G	89.6	Confident	90.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.9	-178.9	0	0	0	0	0	111.9	G740 N742	G735-G740 CarbonylContact O-C 3.59Å; G735-G740 VanDerWaalsContact O-CA 3.22Å; G735-G740 WeakPolarHBondContact O-CA 3.44Å; G735-N742 PolarHBondContact N-O 2.75Å; G735-N742 VanDerWaalsContact N-O 3.16Å; G735-N742 WeakPolarHBondContact O-CB 3.38Å; G735-N742 PolarHBondContact O-N 2.97Å; G735-N742 VanDerWaalsContact O-N 3.1Å; G735-N742 PolarHBondContact O-ND2 3.15Å
736	P	89.3	Confident	91.4	Very high	13 Å²	13	26.5 Å²	26.5	8%	0.084	14%	0.143	C	C	.	.	S	Bend	cis	-77.7	-27.3	10.2	29.4	-33.7	0	0	0	115.2	Q770 T773 R774	P736-Q770 VanDerWaalsContact O-CB 3.26Å; P736-Q770 WeakPolarHBondContact O-CB 3.4Å; P736-Q770 WeakPolarHBondContact O-CG 3.22Å; P736-T773 WeakPolarHBondContact CA-OG1 3.45Å; P736-R774 HydrophobicContact CB-CB 3.69Å; P736-R774 HydrophobicContact CB-CG 4.3Å
737	D	87.5	Confident	91.7	Very high	79 Å²	79	24.9 Å²	24.9	42%	0.422	14%	0.135	S	C	.	.	S	Bend	trans	-108.1	-177.1	176.5	-52.1	-47.1	0	0	0	110.5	F734 T739 G740 R774	F734-D737 CarbonylContact C-O 3.46Å; F734-D737 VanDerWaalsContact O-O 3.11Å; D737-T739 PolarHBondContact O-N 2.98Å; D737-G740 PolarHBondContact O-N 3.38Å; D737-R774 IonicContact OD1-CZ 2.8Å; D737-R774 IonicContact OD1-NE 2.78Å; D737-R774 IonicContact OD1-NH2 2.7Å; D737-R774 PolarHBondContact OD1-NH2 3.31Å
738	T	84.5	Confident	91.9	Very high	96 Å²	96	24.4 Å²	24.4	59%	0.589	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.2	-177.1	51.8	0	0	0	0	114.2
739	T	86.9	Confident	91.8	Very high	42 Å²	42	28.4 Å²	28.4	26%	0.258	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	25.4	178.5	53.8	0	0	0	0	112	E702 D737	E702-T739 HydrophobicContact CG-CG2 3.86Å; D737-T739 PolarHBondContact O-N 2.98Å
740	G	89.9	Confident	91.5	Very high	6 Å²	6	27.5 Å²	27.5	6%	0.062	16%	0.161	C	C	.	.			trans	-74.5	156.2	-178.7	0	0	0	0	0	114.5	I699 G735 D737 N742	I699-G740 VanDerWaalsContact CG2-O 3.28Å; I699-G740 WeakPolarHBondContact CG2-O 3.37Å; G735-G740 CarbonylContact O-C 3.59Å; G735-G740 VanDerWaalsContact O-CA 3.22Å; G735-G740 WeakPolarHBondContact O-CA 3.44Å; D737-G740 PolarHBondContact O-N 3.38Å; G740-N742 PolarHBondContact O-N 3.45Å
741	P	94.8	Very high	91.2	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.065	19%	0.187	C	C	.	.	S	Bend	trans	-78.9	27.3	-169.7	34.1	-38.9	0	0	0	115.1	L691 A696 E700 R784 N785	L691-P741 WeakPolarHBondContact CD1-O 3.38Å; A696-P741 HydrophobicContact CB-CB 3.87Å; E700-P741 HydrophobicContact CG-CB 4.17Å; P741-R784 HydrophobicContact CB-CG 3.97Å; P741-R784 HydrophobicContact CG-CB 4.2Å; P741-R784 HydrophobicContact CG-CG 3.8Å; P741-N785 WeakPolarHBondContact O-CA 3.5Å; P741-N785 PolarHBondContact O-N 2.57Å
742	N	96.5	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.3	178.7	-52.8	-62	0	0	0	110.8	F734 G735 G740 F769 T773 I783 R784 N785 V786	F734-N742 WeakPolarHBondContact CA-O 3.37Å; G735-N742 PolarHBondContact N-O 2.75Å; G735-N742 VanDerWaalsContact N-O 3.16Å; G735-N742 WeakPolarHBondContact O-CB 3.38Å; G735-N742 PolarHBondContact O-N 2.97Å; G735-N742 VanDerWaalsContact O-N 3.1Å; G735-N742 PolarHBondContact O-ND2 3.15Å; G740-N742 PolarHBondContact O-N 3.45Å; N742-F769 HydrophobicContact CB-CZ 4.02Å; N742-T773 HydrophobicContact CB-CG2 4.43Å; N742-I783 PolarHBondContact ND2-O 3.04Å; N742-R784 WeakPolarHBondContact OD1-CA 3.33Å; N742-N785 PolarHBondContact OD1-N 3.32Å; N742-V786 VanDerWaalsContact CA-O 3.29Å; N742-V786 WeakPolarHBondContact CA-O 3.23Å; N742-V786 WeakPolarHBondContact CB-O 3.36Å; N742-V786 PolarHBondContact OD1-N 2.78Å; N742-V786 VanDerWaalsContact OD1-N 3.15Å
743	I	96.3	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.8	-178.6	-52.1	-175.6	0	0	0	110.6	L691 L695 I699 F717 W723 I731 F734 V745 V786 K787 F788	L691-I743 HydrophobicContact CD1-CD1 4.46Å; L691-I743 HydrophobicContact CD1-CG1 4.09Å; L691-I743 HydrophobicContact CD2-CB 4.31Å; L691-I743 HydrophobicContact CD2-CD1 3.62Å; L691-I743 HydrophobicContact CD2-CG1 3.86Å; L695-I743 HydrophobicContact CD2-CD1 3.84Å; L695-I743 HydrophobicContact CG-CD1 4.23Å; I699-I743 HydrophobicContact CD1-CD1 3.94Å; I699-I743 HydrophobicContact CD1-CG1 3.83Å; F717-I743 HydrophobicContact CE1-CD1 3.67Å; F717-I743 HydrophobicContact CZ-CD1 3.79Å; W723-I743 HydrophobicContact CH2-CD1 3.9Å; W723-I743 HydrophobicContact CH2-CG2 4.37Å; W723-I743 HydrophobicContact CZ2-CD1 4.34Å; I731-I743 HydrophobicContact CG1-CG2 4.21Å; I731-I743 HydrophobicContact CG2-CG2 3.81Å; F734-I743 HydrophobicContact CD1-CB 4.42Å; F734-I743 HydrophobicContact CD1-CG1 3.89Å; F734-I743 HydrophobicContact CD1-CG2 4.39Å; F734-I743 HydrophobicContact CE1-CB 4.5Å; F734-I743 HydrophobicContact CE1-CD1 4.06Å; F734-I743 HydrophobicContact CE1-CG1 3.79Å; F734-I743 HydrophobicContact CE1-CG2 4.21Å; I743-V745 HydrophobicContact CG2-CG2 3.64Å; I743-V786 PolarHBondContact N-O 2.86Å; I743-V786 VanDerWaalsContact N-O 3.09Å; I743-K787 WeakPolarHBondContact O-CA 3.47Å; I743-F788 PolarHBondContact O-N 3.24Å
744	L	96.8	Very high	90	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.3	166.6	-176.8	65.3	0	0	0	110.3	M686 W732 A733 I765 V766 F769 F788 I790	M686-L744 HydrophobicContact CE-CD1 4.19Å; M686-L744 HydrophobicContact SD-CD1 4.46Å; W732-L744 HydrophobicContact CB-CD2 4.21Å; W732-L744 HydrophobicContact CB-CG 4.34Å; W732-L744 HydrophobicContact CE3-CD2 3.96Å; W732-L744 PolarHBondContact N-O 3.29Å; A733-L744 PolarHBondContact O-N 2.96Å; L744-I765 HydrophobicContact CD2-CG2 4.14Å; L744-V766 HydrophobicContact CD2-CG2 4.2Å; L744-F769 HydrophobicContact CB-CD1 3.94Å; L744-F769 HydrophobicContact CB-CD2 4.43Å; L744-F769 HydrophobicContact CB-CE1 3.81Å; L744-F769 HydrophobicContact CB-CE2 4.33Å; L744-F769 HydrophobicContact CB-CG 4.25Å; L744-F769 HydrophobicContact CB-CZ 4.02Å; L744-F769 HydrophobicContact CD1-CD2 4.37Å; L744-F769 HydrophobicContact CD1-CG 4.48Å; L744-F769 HydrophobicContact CD2-CB 4.15Å; L744-F769 HydrophobicContact CD2-CD1 4.11Å; L744-F769 HydrophobicContact CD2-CG 4.07Å; L744-F788 HydrophobicContact CD1-CB 3.95Å; L744-I790 HydrophobicContact CD1-CD1 4.19Å; L744-I790 HydrophobicContact CD1-CG1 4.06Å
745	V	95.5	Very high	89.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.5	-178.6	-175.5	0	0	0	0	110.4	W723 I731 I743 K787 F788 K789 I790	W723-V745 HydrophobicContact CH2-CG2 4.17Å; W723-V745 HydrophobicContact CZ3-CG2 4.01Å; I731-V745 HydrophobicContact CG1-CG2 4.28Å; I743-V745 HydrophobicContact CG2-CG2 3.64Å; V745-K787 HydrophobicContact CG2-CG 4.28Å; V745-F788 PolarHBondContact N-O 3.05Å; V745-K789 HydrophobicContact CB-CG 4.34Å; V745-K789 CarbonylContact O-C 3.5Å; V745-K789 WeakPolarHBondContact O-CA 3.38Å; V745-I790 PolarHBondContact O-N 2.74Å
746	D	94.5	Very high	89.7	Confident	11 Å²	11	46.7 Å²	46.7	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	106.2	168	170.3	20.4	0	0	0	110.5	S730 W732 T748 K755	S730-D746 WeakPolarHBondContact CB-O 3.49Å; S730-D746 PolarHBondContact O-N 3.06Å; S730-D746 PolarHBondContact OG-O 3.06Å; W732-D746 HydrophobicContact CD2-CB 4.33Å; W732-D746 VanDerWaalsContact CE2-CB 3.5Å; W732-D746 HydrophobicContact CZ2-CB 3.68Å; W732-D746 VanDerWaalsContact NE1-CB 3.26Å; D746-T748 WeakPolarHBondContact OD1-CB 3.45Å; D746-T748 WeakPolarHBondContact OD1-CG2 3.44Å; D746-T748 PolarHBondContact OD1-N 2.72Å; D746-T748 PolarHBondContact OD1-OG1 3.2Å; D746-K755 IonicContact OD1-NZ 3.59Å; D746-K755 PolarHBondContact OD1-NZ 3.07Å; D746-K755 IonicContact OD2-NZ 3.71Å; D746-K755 PolarHBondContact OD2-NZ 2.9Å
747	D	92.2	Very high	89.8	Confident	62 Å²	62	47 Å²	47	33%	0.332	28%	0.276	S	S	.	.			trans	-106	19.7	178.7	-155.3	24.4	0	0	0	111.4	K789 I790 L791	D747-K789 HydrophobicContact CB-CB 4.38Å; D747-I790 CarbonylContact C-O 3.53Å; D747-I790 WeakPolarHBondContact CA-O 3.34Å; D747-I790 PolarHBondContact N-O 2.74Å; D747-L791 HydrophobicContact CB-CD2 4.23Å
748	T	90.2	Very high	89.9	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.031	26%	0.256	C	S	.	.			trans	-79.9	139.1	179.2	67.2	0	0	0	0	111.2	D746 V753 K755 I790 L791	D746-T748 WeakPolarHBondContact OD1-CB 3.45Å; D746-T748 WeakPolarHBondContact OD1-CG2 3.44Å; D746-T748 PolarHBondContact OD1-N 2.72Å; D746-T748 PolarHBondContact OD1-OG1 3.2Å; T748-V753 HydrophobicContact CG2-CG2 4.2Å; T748-K755 WeakPolarHBondContact O-CE 3.44Å; T748-K755 PolarHBondContact O-NZ 2.82Å; T748-K755 PolarHBondContact OG1-NZ 3.06Å; T748-I790 HydrophobicContact CG2-CB 4.38Å; T748-I790 HydrophobicContact CG2-CG2 3.83Å; T748-I790 WeakPolarHBondContact CG2-O 3.29Å; T748-I790 PolarHBondContact N-O 2.95Å; T748-L791 VanDerWaalsContact CG2-C 3.45Å; T748-L791 WeakPolarHBondContact CG2-O 3.28Å
749	L	86.5	Confident	90.3	Very high	84 Å²	84	40.7 Å²	40.7	44%	0.44	25%	0.248	S	C	.	.			trans	-81.3	136.8	175.2	-68.1	172.5	0	0	0	110.5	S751 E752 V753	L749-S751 PolarHBondContact O-N 3.12Å; L749-E752 HydrophobicContact CB-CG 4.31Å; L749-E752 PolarHBondContact O-N 2.63Å; L749-V753 PolarHBondContact O-N 3.13Å; L749-V753 VanDerWaalsContact O-N 3.09Å
750	P	81.6	Confident	90.6	Very high	101 Å²	101	41.5 Å²	41.5	66%	0.656	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.3	175.8	-23.7	33.2	0	0	0	114.7	K755	P750-K755 HydrophobicContact CB-CG 4.32Å; P750-K755 HydrophobicContact CG-CG 4.37Å
751	S	84	Confident	90.8	Very high	103 Å²	103	41.3 Å²	41.3	72%	0.72	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.6	173.7	49.7	0	0	0	0	113.5	L749	L749-S751 PolarHBondContact O-N 3.12Å
752	E	82.1	Confident	90.8	Very high	130 Å²	130	43.4 Å²	43.4	61%	0.607	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-39.8	-174.7	-64.4	177.6	175.3	0	0	111.1	L749	L749-E752 HydrophobicContact CB-CG 4.31Å; L749-E752 PolarHBondContact O-N 2.63Å
753	V	86.8	Confident	90.6	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.042	29%	0.289	C	S	.	.	S	Bend	trans	-123.1	134.5	-176.9	-178	0	0	0	0	111.2	T748 L749 K755 L758 D792 A793	T748-V753 HydrophobicContact CG2-CG2 4.2Å; L749-V753 PolarHBondContact O-N 3.13Å; L749-V753 VanDerWaalsContact O-N 3.09Å; V753-K755 PolarHBondContact O-N 3.1Å; V753-K755 VanDerWaalsContact O-N 3.13Å; V753-L758 HydrophobicContact CG1-CB 4.09Å; V753-L758 HydrophobicContact CG1-CD2 4.09Å; V753-D792 WeakPolarHBondContact CG2-OD1 3.5Å; V753-A793 HydrophobicContact CG1-CB 4.24Å; V753-A793 WeakPolarHBondContact CG1-O 3.43Å
754	D	89.4	Confident	90.6	Very high	83 Å²	83	49.7 Å²	49.7	44%	0.444	30%	0.297	S	S	.	.			trans	-69.4	106.2	171.1	-176.4	-12.5	0	0	0	110.4	A756 L757 L758	D754-A756 VanDerWaalsContact C-N 3.27Å; D754-A756 PolarHBondContact O-N 3.39Å; D754-A756 WeakPolarHBondContact OD1-CB 3.35Å; D754-A756 PolarHBondContact OD1-N 3.42Å; D754-L757 HydrophobicContact CB-CB 3.84Å; D754-L757 WeakPolarHBondContact O-CB 3.49Å; D754-L757 PolarHBondContact O-N 3.02Å; D754-L757 VanDerWaalsContact O-N 3.16Å; D754-L757 PolarHBondContact OD1-N 2.91Å; D754-L758 WeakPolarHBondContact O-CB 3.16Å; D754-L758 PolarHBondContact O-N 2.8Å
755	K	89.1	Confident	90.6	Very high	69 Å²	69	49.7 Å²	49.7	30%	0.3	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-28.9	-179.3	-67.3	-63.7	-169	-178.9	0	113.5	D746 T748 P750 V753 G759	D746-K755 IonicContact OD1-NZ 3.59Å; D746-K755 PolarHBondContact OD1-NZ 3.07Å; D746-K755 IonicContact OD2-NZ 3.71Å; D746-K755 PolarHBondContact OD2-NZ 2.9Å; T748-K755 WeakPolarHBondContact O-CE 3.44Å; T748-K755 PolarHBondContact O-NZ 2.82Å; T748-K755 PolarHBondContact OG1-NZ 3.06Å; P750-K755 HydrophobicContact CB-CG 4.32Å; P750-K755 HydrophobicContact CG-CG 4.37Å; V753-K755 PolarHBondContact O-N 3.1Å; V753-K755 VanDerWaalsContact O-N 3.13Å; K755-G759 PolarHBondContact O-N 3.04Å
756	A	89.6	Confident	90.6	Very high	80 Å²	80	50.6 Å²	50.6	66%	0.661	30%	0.302	S	S	*	.	H	α-helix	trans	-70.8	-40.7	176.4	0	0	0	0	0	110.3	D754 G759 S760	D754-A756 VanDerWaalsContact C-N 3.27Å; D754-A756 PolarHBondContact O-N 3.39Å; D754-A756 WeakPolarHBondContact OD1-CB 3.35Å; D754-A756 PolarHBondContact OD1-N 3.42Å; A756-G759 PolarHBondContact O-N 3.01Å; A756-S760 PolarHBondContact O-N 3.26Å
757	L	90.3	Very high	90.5	Very high	19 Å²	19	55.2 Å²	55.2	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-46.3	177.2	-152.9	72.8	0	0	0	111.9	D754 G759 S760 I795	D754-L757 HydrophobicContact CB-CB 3.84Å; D754-L757 WeakPolarHBondContact O-CB 3.49Å; D754-L757 PolarHBondContact O-N 3.02Å; D754-L757 VanDerWaalsContact O-N 3.16Å; D754-L757 PolarHBondContact OD1-N 2.91Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-G759 PolarHBondContact O-N 2.78Å; L757-S760 WeakPolarHBondContact O-CB 3.46Å; L757-S760 PolarHBondContact O-N 3.4Å; L757-S760 PolarHBondContact O-OG 2.85Å; L757-I795 HydrophobicContact CD2-CB 3.84Å; L757-I795 HydrophobicContact CD2-CG2 4.32Å; L757-I795 WeakPolarHBondContact CD2-O 3.27Å; L757-I795 HydrophobicContact CG-CB 3.98Å; L757-I795 HydrophobicContact CG-CG2 4.05Å
758	L	91.2	Very high	90.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-41.2	175.7	-177.6	59.3	0	0	0	111.6	W732 V753 D754 S760 V761 K762 I765 A793	W732-L758 HydrophobicContact CH2-CD1 3.75Å; W732-L758 HydrophobicContact CH2-CD2 3.88Å; W732-L758 HydrophobicContact CH2-CG 3.59Å; W732-L758 HydrophobicContact CZ2-CD2 3.85Å; W732-L758 HydrophobicContact CZ2-CG 3.91Å; V753-L758 HydrophobicContact CG1-CB 4.09Å; V753-L758 HydrophobicContact CG1-CD2 4.09Å; D754-L758 WeakPolarHBondContact O-CB 3.16Å; D754-L758 PolarHBondContact O-N 2.8Å; L758-S760 PolarHBondContact O-N 3.49Å; L758-V761 HydrophobicContact CD1-CG2 4.41Å; L758-V761 VanDerWaalsContact O-CG2 3.25Å; L758-V761 WeakPolarHBondContact O-CG2 3.37Å; L758-V761 PolarHBondContact O-N 2.79Å; L758-K762 PolarHBondContact O-N 2.76Å; L758-I765 HydrophobicContact CD1-CD1 4.14Å; L758-A793 HydrophobicContact CD1-CB 3.62Å
759	G	91.8	Very high	91	Very high	41 Å²	41	52 Å²	52	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-59.8	-32	175.9	0	0	0	0	0	113.5	K755 A756 L757 V761 K762	K755-G759 PolarHBondContact O-N 3.04Å; A756-G759 PolarHBondContact O-N 3.01Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-G759 PolarHBondContact O-N 2.78Å; G759-V761 VanDerWaalsContact C-N 3.25Å; G759-V761 PolarHBondContact O-N 3.33Å; G759-K762 VanDerWaalsContact O-CB 3.32Å; G759-K762 WeakPolarHBondContact O-CB 3.33Å; G759-K762 PolarHBondContact O-N 3.32Å
760	S	92.9	Very high	91.4	Very high	60 Å²	60	50.2 Å²	50.2	42%	0.42	30%	0.295	S	S	.	.	H	α-helix	trans	-68.7	-20.5	179.6	76.3	0	0	0	0	114.6	A756 L757 L758 R802	A756-S760 PolarHBondContact O-N 3.26Å; L757-S760 WeakPolarHBondContact O-CB 3.46Å; L757-S760 PolarHBondContact O-N 3.4Å; L757-S760 PolarHBondContact O-OG 2.85Å; L758-S760 PolarHBondContact O-N 3.49Å; S760-R802 PolarHBondContact OG-NE 3.22Å; S760-R802 PolarHBondContact OG-NH1 3.42Å; S760-R802 PolarHBondContact OG-NH2 2.95Å
761	V	94.1	Very high	92.1	Very high	2 Å²	2	50 Å²	50	1%	0.012	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	5.5	178.1	-63.9	0	0	0	0	112.5	L758 G759 D763 S764 I765 I795 R802 V807	L758-V761 HydrophobicContact CD1-CG2 4.41Å; L758-V761 VanDerWaalsContact O-CG2 3.25Å; L758-V761 WeakPolarHBondContact O-CG2 3.37Å; L758-V761 PolarHBondContact O-N 2.79Å; G759-V761 VanDerWaalsContact C-N 3.25Å; G759-V761 PolarHBondContact O-N 3.33Å; V761-D763 VanDerWaalsContact C-N 3.32Å; V761-D763 PolarHBondContact O-N 3.45Å; V761-S764 PolarHBondContact O-N 3.35Å; V761-I765 HydrophobicContact CG2-CD1 3.89Å; V761-I765 HydrophobicContact CG2-CG1 4.5Å; V761-I765 WeakPolarHBondContact O-CG1 3.44Å; V761-I765 PolarHBondContact O-N 3.11Å; V761-I795 HydrophobicContact CG1-CG2 3.96Å; V761-I795 HydrophobicContact CG2-CD1 3.92Å; V761-I795 HydrophobicContact CG2-CG1 4.06Å; V761-I795 HydrophobicContact CG2-CG2 4.33Å; V761-R802 HydrophobicContact CG1-CB 3.84Å; V761-R802 HydrophobicContact CG1-CG 4.1Å; V761-V807 HydrophobicContact CB-CG1 4.41Å; V761-V807 HydrophobicContact CG1-CG2 4.31Å
762	K	94.6	Very high	92.6	Very high	54 Å²	54	45.1 Å²	45.1	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-52.3	-50.7	-176.5	-179.4	-171.6	173.7	-159.8	0	111.4	W732 L758 G759 S764 I765 V766	W732-K762 HydrophobicContact CD2-CD 4.28Å; W732-K762 HydrophobicContact CD2-CG 3.89Å; W732-K762 HydrophobicContact CE3-CG 3.71Å; W732-K762 HydrophobicContact CG-CD 4.47Å; W732-K762 HydrophobicContact CG-CG 4.47Å; W732-K762 HydrophobicContact CH2-CG 4.43Å; W732-K762 HydrophobicContact CZ3-CB 4.36Å; W732-K762 HydrophobicContact CZ3-CG 3.99Å; L758-K762 PolarHBondContact O-N 2.76Å; G759-K762 VanDerWaalsContact O-CB 3.32Å; G759-K762 WeakPolarHBondContact O-CB 3.33Å; G759-K762 PolarHBondContact O-N 3.32Å; K762-S764 VanDerWaalsContact C-N 3.33Å; K762-S764 PolarHBondContact O-N 3.28Å; K762-I765 PolarHBondContact O-N 2.66Å; K762-I765 VanDerWaalsContact O-N 3.14Å; K762-V766 HydrophobicContact CG-CG2 4.34Å; K762-V766 WeakPolarHBondContact O-CG2 3.34Å; K762-V766 PolarHBondContact O-N 3.4Å
763	D	93.4	Very high	93.3	Very high	110 Å²	110	39 Å²	39	59%	0.588	22%	0.218	S	C	*	.	H	α-helix	trans	-67.3	-35.8	-174.1	-58.1	-27.7	0	0	0	111.6	V761 V766 Q767	V761-D763 VanDerWaalsContact C-N 3.32Å; V761-D763 PolarHBondContact O-N 3.45Å; D763-V766 PolarHBondContact O-N 3.48Å; D763-Q767 WeakPolarHBondContact O-CB 3.46Å; D763-Q767 VanDerWaalsContact O-CG 3.26Å; D763-Q767 WeakPolarHBondContact O-CG 3.32Å; D763-Q767 PolarHBondContact O-N 2.74Å
764	S	95.5	Very high	93.6	Very high	22 Å²	22	45.2 Å²	45.2	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-37.3	172.7	-58.9	0	0	0	0	112.8	V761 K762 G768 I808	V761-S764 PolarHBondContact O-N 3.35Å; K762-S764 VanDerWaalsContact C-N 3.33Å; K762-S764 PolarHBondContact O-N 3.28Å; S764-G768 PolarHBondContact O-N 3.49Å; S764-I808 WeakPolarHBondContact O-CG1 3.47Å
765	I	96.3	Very high	93.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-44	174.3	-65.4	172.3	0	0	0	110.2	I684 M686 W732 L744 L758 V761 K762 G768 F769 I790 V807 A811	I684-I765 HydrophobicContact CD1-CD1 4.15Å; I684-I765 HydrophobicContact CD1-CG1 4.04Å; M686-I765 HydrophobicContact CE-CG2 3.9Å; W732-I765 HydrophobicContact CH2-CD1 4.44Å; W732-I765 HydrophobicContact CZ3-CB 4.24Å; W732-I765 HydrophobicContact CZ3-CD1 4.03Å; W732-I765 HydrophobicContact CZ3-CG2 4.15Å; L744-I765 HydrophobicContact CD2-CG2 4.14Å; L758-I765 HydrophobicContact CD1-CD1 4.14Å; V761-I765 HydrophobicContact CG2-CD1 3.89Å; V761-I765 HydrophobicContact CG2-CG1 4.5Å; V761-I765 WeakPolarHBondContact O-CG1 3.44Å; V761-I765 PolarHBondContact O-N 3.11Å; K762-I765 PolarHBondContact O-N 2.66Å; K762-I765 VanDerWaalsContact O-N 3.14Å; I765-G768 PolarHBondContact O-N 3.15Å; I765-F769 VanDerWaalsContact O-CB 3.25Å; I765-F769 WeakPolarHBondContact O-CB 3.47Å; I765-F769 PolarHBondContact O-N 3.27Å; I765-I790 HydrophobicContact CG2-CD1 4.15Å; I765-V807 HydrophobicContact CG1-CG1 3.82Å; I765-A811 HydrophobicContact CG2-CB 4.4Å
766	V	95.6	Very high	93.9	Very high	19 Å²	19	40.4 Å²	40.4	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-45.6	177.6	170.3	0	0	0	0	111	W732 A733 L744 K762 D763 G768 F769 Q770	W732-V766 HydrophobicContact CB-CG2 4.36Å; W732-V766 HydrophobicContact CE3-CG2 4.44Å; A733-V766 HydrophobicContact CB-CB 4.36Å; A733-V766 HydrophobicContact CB-CG1 3.56Å; A733-V766 HydrophobicContact CB-CG2 3.89Å; L744-V766 HydrophobicContact CD2-CG2 4.2Å; K762-V766 HydrophobicContact CG-CG2 4.34Å; K762-V766 WeakPolarHBondContact O-CG2 3.34Å; K762-V766 PolarHBondContact O-N 3.4Å; D763-V766 PolarHBondContact O-N 3.48Å; V766-G768 PolarHBondContact O-N 3.38Å; V766-F769 PolarHBondContact O-N 3.12Å; V766-Q770 HydrophobicContact CG1-CG 4.35Å; V766-Q770 WeakPolarHBondContact O-CB 3.48Å; V766-Q770 WeakPolarHBondContact O-CG 3.46Å; V766-Q770 PolarHBondContact O-N 2.96Å
767	Q	94.3	Very high	94.1	Very high	107 Å²	107	36.7 Å²	36.7	50%	0.5	19%	0.186	S	C	.	.	H	α-helix	trans	-60.1	-45.9	175.6	-74.8	174.3	13.5	0	0	111.9	D763 F769 Q770 W771 I808	D763-Q767 WeakPolarHBondContact O-CB 3.46Å; D763-Q767 VanDerWaalsContact O-CG 3.26Å; D763-Q767 WeakPolarHBondContact O-CG 3.32Å; D763-Q767 PolarHBondContact O-N 2.74Å; Q767-F769 VanDerWaalsContact C-N 3.33Å; Q767-F769 PolarHBondContact O-N 3.26Å; Q767-Q770 PolarHBondContact O-N 3.48Å; Q767-W771 VanDerWaalsContact O-CB 3.27Å; Q767-W771 WeakPolarHBondContact O-CB 3.3Å; Q767-W771 PolarHBondContact O-N 2.91Å; Q767-I808 HydrophobicContact CB-CD1 4.47Å; Q767-I808 HydrophobicContact CB-CG1 4.33Å; Q767-I808 VanDerWaalsContact OE1-CD1 3.26Å
768	G	95.7	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-34.9	176.1	0	0	0	0	0	113.4	S764 I765 V766 G772	S764-G768 PolarHBondContact O-N 3.49Å; I765-G768 PolarHBondContact O-N 3.15Å; V766-G768 PolarHBondContact O-N 3.38Å; G768-G772 PolarHBondContact O-N 2.73Å
769	F	96.6	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-47.7	175.5	162.2	-105	0	0	0	112.5	N742 L744 I765 V766 Q767 G772 T773 F788 V815	N742-F769 HydrophobicContact CB-CZ 4.02Å; L744-F769 HydrophobicContact CB-CD1 3.94Å; L744-F769 HydrophobicContact CB-CD2 4.43Å; L744-F769 HydrophobicContact CB-CE1 3.81Å; L744-F769 HydrophobicContact CB-CE2 4.33Å; L744-F769 HydrophobicContact CB-CG 4.25Å; L744-F769 HydrophobicContact CB-CZ 4.02Å; L744-F769 HydrophobicContact CD1-CD2 4.37Å; L744-F769 HydrophobicContact CD1-CG 4.48Å; L744-F769 HydrophobicContact CD2-CB 4.15Å; L744-F769 HydrophobicContact CD2-CD1 4.11Å; L744-F769 HydrophobicContact CD2-CG 4.07Å; I765-F769 VanDerWaalsContact O-CB 3.25Å; I765-F769 WeakPolarHBondContact O-CB 3.47Å; I765-F769 PolarHBondContact O-N 3.27Å; V766-F769 PolarHBondContact O-N 3.12Å; Q767-F769 VanDerWaalsContact C-N 3.33Å; Q767-F769 PolarHBondContact O-N 3.26Å; F769-G772 PolarHBondContact O-N 2.81Å; F769-T773 HydrophobicContact CD2-CG2 3.91Å; F769-T773 HydrophobicContact CE2-CG2 3.45Å; F769-T773 VanDerWaalsContact CE2-CG2 3.45Å; F769-T773 HydrophobicContact CZ-CG2 3.97Å; F769-T773 WeakPolarHBondContact O-CB 3.45Å; F769-T773 WeakPolarHBondContact O-CG2 3.38Å; F769-T773 PolarHBondContact O-N 3.24Å; F769-T773 PolarHBondContact O-OG1 3.1Å; F769-F788 HydrophobicContact CD2-CD2 4.2Å; F769-F788 HydrophobicContact CD2-CG 4.46Å; F769-F788 HydrophobicContact CE2-CB 4.33Å; F769-F788 AromaticContact CE2-CD2 3.43Å; F769-F788 HydrophobicContact CE2-CD2 3.43Å; F769-F788 VanDerWaalsContact CE2-CD2 3.43Å; F769-F788 AromaticContact CE2-CE2 3.94Å; F769-F788 HydrophobicContact CE2-CE2 3.94Å; F769-F788 HydrophobicContact CE2-CG 4.06Å; F769-F788 HydrophobicContact CZ-CD2 4.36Å; F769-V815 HydrophobicContact CB-CG2 4.39Å; F769-V815 HydrophobicContact CD2-CG2 3.98Å
770	Q	95.4	Very high	94.3	Very high	47 Å²	47	35.8 Å²	35.8	22%	0.22	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-43.9	177.4	-77.5	-179.2	-24.9	0	0	111.1	F734 P736 V766 Q767 T773 R774	F734-Q770 PolarHBondContact O-NE2 3.08Å; P736-Q770 VanDerWaalsContact O-CB 3.26Å; P736-Q770 WeakPolarHBondContact O-CB 3.4Å; P736-Q770 WeakPolarHBondContact O-CG 3.22Å; V766-Q770 HydrophobicContact CG1-CG 4.35Å; V766-Q770 WeakPolarHBondContact O-CB 3.48Å; V766-Q770 WeakPolarHBondContact O-CG 3.46Å; V766-Q770 PolarHBondContact O-N 2.96Å; Q767-Q770 PolarHBondContact O-N 3.48Å; Q770-T773 WeakPolarHBondContact CA-OG1 3.4Å; Q770-T773 PolarHBondContact O-N 3.02Å; Q770-T773 PolarHBondContact O-OG1 2.95Å; Q770-R774 WeakPolarHBondContact O-CB 3.4Å; Q770-R774 PolarHBondContact O-N 3.17Å
771	W	94.9	Very high	94.3	Very high	97 Å²	97	33.3 Å²	33.3	37%	0.367	15%	0.154	S	C	.	.	H	α-helix	trans	-61.5	-48.8	173.9	-177.8	21.5	0	0	0	112	Q767 T773 R774 E775 I808 R812	Q767-W771 VanDerWaalsContact O-CB 3.27Å; Q767-W771 WeakPolarHBondContact O-CB 3.3Å; Q767-W771 PolarHBondContact O-N 2.91Å; W771-T773 PolarHBondContact O-N 2.89Å; W771-R774 WeakPolarHBondContact O-CB 3.37Å; W771-R774 PolarHBondContact O-N 3.39Å; W771-E775 VanDerWaalsContact NE1-CD 3.28Å; W771-E775 PolarHBondContact NE1-OE1 3.43Å; W771-E775 PolarHBondContact NE1-OE2 3.19Å; W771-E775 PolarHBondContact O-N 2.94Å; W771-I808 HydrophobicContact CE3-CG2 3.94Å; W771-I808 HydrophobicContact CZ3-CG2 4.22Å; W771-R812 VanDerWaalsContact CH2-NH1 3.3Å
772	G	94.7	Very high	94.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-42.3	178	0	0	0	0	0	112.9	G768 F769 R774 G776 Y816	G768-G772 PolarHBondContact O-N 2.73Å; F769-G772 PolarHBondContact O-N 2.81Å; G772-R774 VanDerWaalsContact C-N 3.31Å; G772-R774 PolarHBondContact O-N 2.75Å; G772-G776 PolarHBondContact O-N 3.38Å; G772-Y816 VanDerWaalsContact O-CE1 3.23Å; G772-Y816 WeakPolarHBondContact O-CE1 3.35Å
773	T	96.5	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-73.6	-19.4	178	49.3	0	0	0	0	113.9	P736 N742 F769 Q770 W771 P782 I783 F788 V815	P736-T773 WeakPolarHBondContact CA-OG1 3.45Å; N742-T773 HydrophobicContact CB-CG2 4.43Å; F769-T773 HydrophobicContact CD2-CG2 3.91Å; F769-T773 HydrophobicContact CE2-CG2 3.45Å; F769-T773 VanDerWaalsContact CE2-CG2 3.45Å; F769-T773 HydrophobicContact CZ-CG2 3.97Å; F769-T773 WeakPolarHBondContact O-CB 3.45Å; F769-T773 WeakPolarHBondContact O-CG2 3.38Å; F769-T773 PolarHBondContact O-N 3.24Å; F769-T773 PolarHBondContact O-OG1 3.1Å; Q770-T773 WeakPolarHBondContact CA-OG1 3.4Å; Q770-T773 PolarHBondContact O-N 3.02Å; Q770-T773 PolarHBondContact O-OG1 2.95Å; W771-T773 PolarHBondContact O-N 2.89Å; T773-P782 WeakPolarHBondContact O-CA 3.28Å; T773-I783 HydrophobicContact CG2-CB 4.21Å; T773-I783 HydrophobicContact CG2-CD1 4.17Å; T773-I783 PolarHBondContact O-N 3Å; T773-F788 HydrophobicContact CG2-CE2 3.97Å; T773-V815 HydrophobicContact CG2-CG1 4.38Å
774	R	94.1	Very high	94.6	Very high	138 Å²	138	28.3 Å²	28.3	52%	0.521	13%	0.13	S	C	.	.	H	α-helix	trans	-73.9	-38.8	175.8	-173.2	178	-70.6	168.4	-2.9	112	P736 D737 Q770 W771 G772	P736-R774 HydrophobicContact CB-CB 3.69Å; P736-R774 HydrophobicContact CB-CG 4.3Å; D737-R774 IonicContact OD1-CZ 2.8Å; D737-R774 IonicContact OD1-NE 2.78Å; D737-R774 IonicContact OD1-NH2 2.7Å; D737-R774 PolarHBondContact OD1-NH2 3.31Å; Q770-R774 WeakPolarHBondContact O-CB 3.4Å; Q770-R774 PolarHBondContact O-N 3.17Å; W771-R774 WeakPolarHBondContact O-CB 3.37Å; W771-R774 PolarHBondContact O-N 3.39Å; G772-R774 VanDerWaalsContact C-N 3.31Å; G772-R774 PolarHBondContact O-N 2.75Å
775	E	91.3	Very high	94.6	Very high	51 Å²	51	28.9 Å²	28.9	24%	0.238	13%	0.132	C	C	.	.	H	α-helix	trans	-91.1	-49.5	178.9	-69.2	169	-178.8	0	0	111.5	W771 D780 E781 R812 Y816	W771-E775 VanDerWaalsContact NE1-CD 3.28Å; W771-E775 PolarHBondContact NE1-OE1 3.43Å; W771-E775 PolarHBondContact NE1-OE2 3.19Å; W771-E775 PolarHBondContact O-N 2.94Å; E775-D780 CarbonylContact O-C 3.58Å; E775-D780 WeakPolarHBondContact O-CA 3.43Å; E775-E781 CarbonylContact C-O 3.46Å; E775-E781 CarbonylContact O-C 3.6Å; E775-E781 WeakPolarHBondContact O-CA 3.39Å; E775-E781 PolarHBondContact O-N 3.45Å; E775-R812 IonicContact OE2-CZ 3.15Å; E775-R812 IonicContact OE2-NE 2.64Å; E775-R812 PolarHBondContact OE2-NE 2.94Å; E775-R812 IonicContact OE2-NH1 3.69Å; E775-R812 IonicContact OE2-NH2 3.7Å; E775-R812 PolarHBondContact OE2-NH2 3.31Å; E775-Y816 PolarHBondContact OE2-OH 2.88Å
776	G	93.3	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.132	C	C	.	.			trans	73.3	147.6	-175.1	0	0	0	0	0	114.2	G772	G772-G776 PolarHBondContact O-N 3.38Å
777	P	93.6	Very high	94.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.013	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-17.4	-172.5	31.9	-36.3	0	0	0	116.1	E663 Y816 F819 L820 F951	E663-P777 WeakPolarHBondContact OE2-CD 3.35Å; E663-P777 VanDerWaalsContact OE2-N 3.12Å; P777-Y816 HydrophobicContact CB-CD1 3.74Å; P777-Y816 HydrophobicContact CB-CD2 4.49Å; P777-Y816 HydrophobicContact CB-CE1 4.25Å; P777-Y816 HydrophobicContact CB-CG 3.86Å; P777-Y816 HydrophobicContact CG-CD1 3.87Å; P777-Y816 HydrophobicContact CG-CE1 4.48Å; P777-Y816 HydrophobicContact CG-CG 4.35Å; P777-F819 HydrophobicContact CG-CB 4.43Å; P777-F819 HydrophobicContact CG-CD1 3.37Å; P777-F819 HydrophobicContact CG-CE1 3.92Å; P777-F819 HydrophobicContact CG-CG 4.15Å; P777-L820 HydrophobicContact CB-CD1 4.29Å; P777-L820 HydrophobicContact CB-CD2 4.24Å; P777-L820 HydrophobicContact CB-CG 4.23Å; P777-L820 HydrophobicContact CG-CD2 4.11Å; P777-L820 HydrophobicContact CG-CG 4.13Å; P777-F951 HydrophobicContact CB-CE2 4.35Å; P777-F951 HydrophobicContact CB-CZ 4.5Å
778	L	92.8	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-45.3	-174.1	-58.3	175.4	0	0	0	112.5	E663 F819 L820 P824 L826 P910 L911 R937 V946	E663-L778 HydrophobicContact CB-CD1 4.31Å; E663-L778 VanDerWaalsContact CD-CB 3.46Å; E663-L778 VanDerWaalsContact CD-N 3.34Å; E663-L778 HydrophobicContact CG-CB 4.21Å; E663-L778 HydrophobicContact CG-CD1 4.16Å; E663-L778 HydrophobicContact CG-CG 4.39Å; E663-L778 WeakPolarHBondContact OE1-CA 3.46Å; E663-L778 WeakPolarHBondContact OE1-CB 3.34Å; E663-L778 PolarHBondContact OE1-N 3.41Å; E663-L778 VanDerWaalsContact OE1-N 3.07Å; E663-L778 WeakPolarHBondContact OE2-CB 3.47Å; E663-L778 WeakPolarHBondContact OE2-CG 3.3Å; E663-L778 PolarHBondContact OE2-N 3.18Å; L778-F819 HydrophobicContact CD1-CE1 4.11Å; L778-F819 HydrophobicContact CG-CE1 4.04Å; L778-L820 HydrophobicContact CD2-CD2 3.83Å; L778-P824 HydrophobicContact CD1-CB 3.92Å; L778-P824 HydrophobicContact CD2-CB 4.09Å; L778-P824 HydrophobicContact CD2-CG 4.09Å; L778-P824 HydrophobicContact CG-CB 4.39Å; L778-L826 HydrophobicContact CD1-CD2 4.02Å; L778-L826 HydrophobicContact CD1-CG 4.5Å; L778-P910 HydrophobicContact CD1-CG 4.22Å; L778-L911 HydrophobicContact CD2-CD2 3.96Å; L778-L911 HydrophobicContact CD2-CG 4.42Å; L778-R937 WeakPolarHBondContact O-CD 3.35Å; L778-R937 WeakPolarHBondContact O-CG 3.2Å; L778-R937 PolarHBondContact O-NH1 3.48Å; L778-V946 HydrophobicContact CD2-CG2 4.38Å
779	C	91.9	Very high	94.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.9	23.1	-172.5	60.8	0	0	0	0	113.2	E663 E781 T936 R937 K940	E663-C779 PolarHBondContact OE1-N 3.19Å; E663-C779 PolarHBondContact OE1-SG 2.83Å; E663-C779 VanDerWaalsContact OE1-SG 3.36Å; C779-E781 PolarHBondContact O-N 2.87Å; C779-T936 HydrophobicContact CB-CG2 3.96Å; C779-R937 HydrophobicContact CB-CG 4.11Å; C779-K940 VanDerWaalsContact O-CD 3.22Å; C779-K940 WeakPolarHBondContact O-CD 3.1Å; C779-K940 WeakPolarHBondContact O-CE 3.32Å; C779-K940 PolarHBondContact O-NZ 3.06Å
780	D	92.6	Very high	94.9	Very high	43 Å²	43	25.1 Å²	25.1	23%	0.23	11%	0.112	C	C	.	.	S	Bend	trans	52.8	35.3	-175	-67.2	-16.2	0	0	0	113.1	E775 K940 L942	E775-D780 CarbonylContact O-C 3.58Å; E775-D780 WeakPolarHBondContact O-CA 3.43Å; D780-K940 HydrophobicContact CB-CD 3.94Å; D780-K940 PolarHBondContact O-NZ 2.8Å; D780-L942 HydrophobicContact CB-CD1 4.28Å; D780-L942 WeakPolarHBondContact OD2-CD1 3.42Å; D780-L942 WeakPolarHBondContact OD2-CD2 3.37Å
781	E	93.4	Very high	94.8	Very high	7 Å²	7	24.1 Å²	24.1	3%	0.033	11%	0.108	C	C	.	.			trans	-111.6	151.4	169.6	-69.8	-61.5	151.5	0	0	112.2	F661 E775 C779 I783 K940	F661-E781 HydrophobicContact CB-CG 4.43Å; F661-E781 WeakPolarHBondContact O-CB 3.45Å; E775-E781 CarbonylContact C-O 3.46Å; E775-E781 CarbonylContact O-C 3.6Å; E775-E781 WeakPolarHBondContact O-CA 3.39Å; E775-E781 PolarHBondContact O-N 3.45Å; C779-E781 PolarHBondContact O-N 2.87Å; E781-I783 PolarHBondContact O-N 3.17Å; E781-K940 VanDerWaalsContact CD-NZ 3.32Å; E781-K940 WeakPolarHBondContact OE1-CE 3.26Å; E781-K940 IonicContact OE1-NZ 3.09Å; E781-K940 PolarHBondContact OE1-NZ 3.33Å
782	P	95.1	Very high	94.7	Very high	42 Å²	42	22.2 Å²	22.2	27%	0.273	11%	0.105	S	C	.	.			trans	-59.9	139.7	-168.9	22	-33.1	0	0	0	113.7	C662 E663 T773	C662-P782 CarbonylContact C-O 3.31Å; C662-P782 VanDerWaalsContact CA-O 3.24Å; C662-P782 WeakPolarHBondContact CA-O 3.48Å; C662-P782 WeakPolarHBondContact CB-O 3.31Å; E663-P782 PolarHBondContact N-O 2.74Å; T773-P782 WeakPolarHBondContact O-CA 3.28Å
783	I	97.1	Very high	94.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-72.8	141.2	173	-58.6	-177.1	0	0	0	109.1	E663 N742 T773 E781 V786 F788 F819	E663-I783 HydrophobicContact CB-CG1 4.38Å; E663-I783 CarbonylContact O-C 3.55Å; E663-I783 VanDerWaalsContact O-CA 3.32Å; E663-I783 WeakPolarHBondContact O-CA 3.39Å; N742-I783 PolarHBondContact ND2-O 3.04Å; T773-I783 HydrophobicContact CG2-CB 4.21Å; T773-I783 HydrophobicContact CG2-CD1 4.17Å; T773-I783 PolarHBondContact O-N 3Å; E781-I783 PolarHBondContact O-N 3.17Å; I783-V786 HydrophobicContact CG2-CB 3.91Å; I783-V786 HydrophobicContact CG2-CG2 3.42Å; I783-V786 VanDerWaalsContact CG2-CG2 3.42Å; I783-F788 HydrophobicContact CD1-CZ 4.32Å; I783-F788 HydrophobicContact CG2-CE2 4.48Å; I783-F819 HydrophobicContact CD1-CD2 3.99Å; I783-F819 HydrophobicContact CD1-CE2 4.34Å; I783-F819 HydrophobicContact CD1-CG 4.3Å; I783-F819 HydrophobicContact CG1-CE2 4.4Å; I783-F819 HydrophobicContact CG2-CD2 4.06Å; I783-F819 HydrophobicContact CG2-CE2 3.81Å
784	R	95.9	Very high	94.5	Very high	19 Å²	19	26.2 Å²	26.2	7%	0.072	13%	0.13	C	C	.	.			trans	-138.9	142.9	-179.9	-176.1	-177.6	-178.1	82.5	6.8	111.7	C662 E663 T664 E700 P741 N742 V786 M827 W903	C662-R784 HydrophobicContact CB-CB 3.86Å; E663-R784 PolarHBondContact O-N 2.71Å; T664-R784 VanDerWaalsContact CB-O 3.24Å; T664-R784 WeakPolarHBondContact CB-O 3.35Å; T664-R784 PolarHBondContact OG1-O 3.25Å; E700-R784 IonicContact OE1-CZ 3.57Å; E700-R784 IonicContact OE1-NH1 2.79Å; E700-R784 PolarHBondContact OE1-NH1 3.33Å; E700-R784 IonicContact OE1-NH2 2.68Å; E700-R784 IonicContact OE2-CZ 2.87Å; E700-R784 VanDerWaalsContact OE2-CZ 3.27Å; E700-R784 IonicContact OE2-NH1 3.47Å; E700-R784 PolarHBondContact OE2-NH1 3.22Å; E700-R784 IonicContact OE2-NH2 3.63Å; E700-R784 PolarHBondContact OE2-NH2 3.47Å; P741-R784 HydrophobicContact CB-CG 3.97Å; P741-R784 HydrophobicContact CG-CB 4.2Å; P741-R784 HydrophobicContact CG-CG 3.8Å; N742-R784 WeakPolarHBondContact OD1-CA 3.33Å; R784-V786 VanDerWaalsContact C-N 3.35Å; R784-V786 WeakPolarHBondContact O-CG2 3.22Å; R784-V786 PolarHBondContact O-N 2.93Å; R784-M827 HydrophobicContact CB-SD 4.17Å; R784-M827 HydrophobicContact CG-SD 4.19Å; R784-W903 VanDerWaalsContact NE-CD1 3.27Å
785	N	96.6	Very high	94.4	Very high	34 Å²	34	20.3 Å²	20.3	18%	0.182	11%	0.109	C	C	.	.	S	Bend	trans	65.2	34.9	171.4	-159.8	62.6	0	0	0	113.3	L691 A696 P741 N742	L691-N785 WeakPolarHBondContact CB-OD1 3.34Å; L691-N785 PolarHBondContact N-O 2.9Å; L691-N785 PolarHBondContact O-ND2 2.85Å; A696-N785 HydrophobicContact CB-CB 4.36Å; A696-N785 WeakPolarHBondContact CB-OD1 2.95Å; P741-N785 WeakPolarHBondContact O-CA 3.5Å; P741-N785 PolarHBondContact O-N 2.57Å; N742-N785 PolarHBondContact OD1-N 3.32Å
786	V	97.3	Very high	94.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.8	-178.1	-169.6	0	0	0	0	111.8	V665 A688 N742 I743 I783 R784 F788 F819	V665-V786 HydrophobicContact CG1-CG1 4.3Å; V665-V786 HydrophobicContact CG1-CG2 4.21Å; V665-V786 HydrophobicContact CG2-CB 4.38Å; V665-V786 HydrophobicContact CG2-CG1 3.85Å; V665-V786 HydrophobicContact CG2-CG2 3.95Å; A688-V786 HydrophobicContact CB-CG1 3.99Å; N742-V786 VanDerWaalsContact CA-O 3.29Å; N742-V786 WeakPolarHBondContact CA-O 3.23Å; N742-V786 WeakPolarHBondContact CB-O 3.36Å; N742-V786 PolarHBondContact OD1-N 2.78Å; N742-V786 VanDerWaalsContact OD1-N 3.15Å; I743-V786 PolarHBondContact N-O 2.86Å; I743-V786 VanDerWaalsContact N-O 3.09Å; I783-V786 HydrophobicContact CG2-CB 3.91Å; I783-V786 HydrophobicContact CG2-CG2 3.42Å; I783-V786 VanDerWaalsContact CG2-CG2 3.42Å; R784-V786 VanDerWaalsContact C-N 3.35Å; R784-V786 WeakPolarHBondContact O-CG2 3.22Å; R784-V786 PolarHBondContact O-N 2.93Å; V786-F788 HydrophobicContact CB-CD2 4.4Å; V786-F788 HydrophobicContact CB-CE2 3.77Å; V786-F788 HydrophobicContact CB-CZ 4.28Å; V786-F788 HydrophobicContact CG1-CD2 3.97Å; V786-F788 HydrophobicContact CG1-CE1 4.27Å; V786-F788 HydrophobicContact CG1-CE2 3.47Å; V786-F788 VanDerWaalsContact CG1-CE2 3.47Å; V786-F788 HydrophobicContact CG1-CZ 3.64Å; V786-F819 HydrophobicContact CG1-CD2 4.47Å; V786-F819 HydrophobicContact CG2-CD2 4.2Å; V786-F819 HydrophobicContact CG2-CE2 3.93Å
787	K	96.9	Very high	94.3	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.052	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.4	173.8	-179.7	167.3	167.8	-157.7	0	109.7	A688 E689 L691 W723 I743 V745 K789	A688-K787 CarbonylContact C-O 3.27Å; A688-K787 WeakPolarHBondContact CA-O 3.1Å; E689-K787 HydrophobicContact CG-CB 3.68Å; E689-K787 HydrophobicContact CG-CD 4Å; E689-K787 HydrophobicContact CG-CG 3.95Å; E689-K787 PolarHBondContact N-O 3.26Å; E689-K787 PolarHBondContact O-N 3.13Å; E689-K787 WeakPolarHBondContact OE1-CD 3.35Å; E689-K787 WeakPolarHBondContact OE1-CE 3.28Å; E689-K787 IonicContact OE1-NZ 2.83Å; E689-K787 PolarHBondContact OE1-NZ 3.37Å; L691-K787 HydrophobicContact CD2-CB 3.66Å; L691-K787 HydrophobicContact CD2-CD 4.1Å; L691-K787 HydrophobicContact CD2-CG 4.32Å; L691-K787 HydrophobicContact CG-CB 4.07Å; W723-K787 HydrophobicContact CH2-CD 3.58Å; W723-K787 HydrophobicContact CZ2-CD 3.67Å; I743-K787 WeakPolarHBondContact O-CA 3.47Å; V745-K787 HydrophobicContact CG2-CG 4.28Å; K787-K789 HydrophobicContact CG-CG 4.49Å
788	F	97.4	Very high	94.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.9	176.2	-67.6	-89.8	0	0	0	109.2	I687 A688 I743 L744 V745 F769 T773 I783 V786 V815 A818 F819	I687-F788 WeakPolarHBondContact O-CA 3.5Å; A688-F788 HydrophobicContact CB-CD1 4.1Å; A688-F788 HydrophobicContact CB-CE1 3.9Å; I743-F788 PolarHBondContact O-N 3.24Å; L744-F788 HydrophobicContact CD1-CB 3.95Å; V745-F788 PolarHBondContact N-O 3.05Å; F769-F788 HydrophobicContact CD2-CD2 4.2Å; F769-F788 HydrophobicContact CD2-CG 4.46Å; F769-F788 HydrophobicContact CE2-CB 4.33Å; F769-F788 AromaticContact CE2-CD2 3.43Å; F769-F788 HydrophobicContact CE2-CD2 3.43Å; F769-F788 VanDerWaalsContact CE2-CD2 3.43Å; F769-F788 AromaticContact CE2-CE2 3.94Å; F769-F788 HydrophobicContact CE2-CE2 3.94Å; F769-F788 HydrophobicContact CE2-CG 4.06Å; F769-F788 HydrophobicContact CZ-CD2 4.36Å; T773-F788 HydrophobicContact CG2-CE2 3.97Å; I783-F788 HydrophobicContact CD1-CZ 4.32Å; I783-F788 HydrophobicContact CG2-CE2 4.48Å; V786-F788 HydrophobicContact CB-CD2 4.4Å; V786-F788 HydrophobicContact CB-CE2 3.77Å; V786-F788 HydrophobicContact CB-CZ 4.28Å; V786-F788 HydrophobicContact CG1-CD2 3.97Å; V786-F788 HydrophobicContact CG1-CE1 4.27Å; V786-F788 HydrophobicContact CG1-CE2 3.47Å; V786-F788 VanDerWaalsContact CG1-CE2 3.47Å; V786-F788 HydrophobicContact CG1-CZ 3.64Å; F788-V815 HydrophobicContact CD1-CG1 4.33Å; F788-V815 HydrophobicContact CD1-CG2 4.39Å; F788-V815 HydrophobicContact CE1-CB 4.29Å; F788-V815 HydrophobicContact CE1-CG1 3.71Å; F788-V815 WeakPolarHBondContact CE1-O 3.26Å; F788-V815 HydrophobicContact CE2-CG1 4.37Å; F788-V815 HydrophobicContact CZ-CG1 3.71Å; F788-A818 HydrophobicContact CD1-CB 4.46Å; F788-A818 HydrophobicContact CE1-CB 4.45Å; F788-F819 HydrophobicContact CE1-CB 4.29Å; F788-F819 HydrophobicContact CZ-CB 4.34Å; F788-F819 HydrophobicContact CZ-CD2 4.33Å
789	K	95.9	Very high	93.9	Very high	34 Å²	34	34.6 Å²	34.6	15%	0.148	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.7	176.7	-69.8	172.9	166.6	166.3	0	110.2	M686 I687 E689 V745 D747 K787 L791	M686-K789 CarbonylContact C-O 3.58Å; M686-K789 WeakPolarHBondContact CA-O 3.49Å; I687-K789 HydrophobicContact CD1-CB 4.34Å; I687-K789 HydrophobicContact CD1-CD 4.05Å; I687-K789 HydrophobicContact CG1-CB 3.77Å; I687-K789 HydrophobicContact CG1-CD 4.32Å; I687-K789 PolarHBondContact N-O 3.35Å; I687-K789 PolarHBondContact O-N 3.31Å; E689-K789 VanDerWaalsContact CD-CE 3.45Å; E689-K789 WeakPolarHBondContact OE1-CE 3.5Å; E689-K789 IonicContact OE1-NZ 3.67Å; E689-K789 PolarHBondContact OE1-NZ 3.23Å; E689-K789 WeakPolarHBondContact OE2-CE 2.98Å; E689-K789 IonicContact OE2-NZ 3Å; E689-K789 PolarHBondContact OE2-NZ 3.4Å; V745-K789 HydrophobicContact CB-CG 4.34Å; V745-K789 CarbonylContact O-C 3.5Å; V745-K789 WeakPolarHBondContact O-CA 3.38Å; D747-K789 HydrophobicContact CB-CB 4.38Å; K787-K789 HydrophobicContact CG-CG 4.49Å; K789-L791 HydrophobicContact CB-CD2 4.35Å
790	I	95.8	Very high	93.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.9	168.6	-53.1	176.6	0	0	0	107.4	M686 W732 L744 V745 D747 T748 I765	M686-I790 HydrophobicContact CE-CD1 4.2Å; M686-I790 HydrophobicContact CE-CG1 3.9Å; M686-I790 HydrophobicContact CG-CG1 4.21Å; W732-I790 HydrophobicContact CE3-CD1 3.92Å; W732-I790 HydrophobicContact CH2-CD1 3.77Å; W732-I790 HydrophobicContact CZ2-CD1 4.49Å; W732-I790 HydrophobicContact CZ3-CD1 3.45Å; W732-I790 VanDerWaalsContact CZ3-CD1 3.45Å; L744-I790 HydrophobicContact CD1-CD1 4.19Å; L744-I790 HydrophobicContact CD1-CG1 4.06Å; V745-I790 PolarHBondContact O-N 2.74Å; D747-I790 CarbonylContact C-O 3.53Å; D747-I790 WeakPolarHBondContact CA-O 3.34Å; D747-I790 PolarHBondContact N-O 2.74Å; T748-I790 HydrophobicContact CG2-CB 4.38Å; T748-I790 HydrophobicContact CG2-CG2 3.83Å; T748-I790 WeakPolarHBondContact CG2-O 3.29Å; T748-I790 PolarHBondContact N-O 2.95Å; I765-I790 HydrophobicContact CG2-CD1 4.15Å
791	L	93.3	Very high	93.6	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.141	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-32.3	-178.9	-62.7	-176.1	0	0	0	112.8	K672 T685 I687 D747 T748 K789	K672-L791 HydrophobicContact CD-CD1 3.63Å; K672-L791 HydrophobicContact CG-CD1 3.78Å; T685-L791 PolarHBondContact O-N 2.98Å; I687-L791 HydrophobicContact CB-CD1 4.34Å; I687-L791 HydrophobicContact CD1-CD1 4.02Å; I687-L791 HydrophobicContact CD1-CD2 4.26Å; I687-L791 HydrophobicContact CD1-CG 4.42Å; I687-L791 HydrophobicContact CG1-CD1 3.94Å; I687-L791 HydrophobicContact CG1-CD2 4.32Å; I687-L791 HydrophobicContact CG1-CG 4.11Å; I687-L791 HydrophobicContact CG2-CD1 3.58Å; I687-L791 HydrophobicContact CG2-CG 4.46Å; D747-L791 HydrophobicContact CB-CD2 4.23Å; T748-L791 VanDerWaalsContact CG2-C 3.45Å; T748-L791 WeakPolarHBondContact CG2-O 3.28Å; K789-L791 HydrophobicContact CB-CD2 4.35Å
792	D	92.8	Very high	93.3	Very high	56 Å²	56	43 Å²	43	30%	0.299	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	148.7	178.7	-175.5	24.3	0	0	0	110.1	T685 V753	T685-D792 PolarHBondContact N-O 3.21Å; V753-D792 WeakPolarHBondContact CG2-OD1 3.5Å
793	A	93.6	Very high	93	Very high	7 Å²	7	42.6 Å²	42.6	6%	0.058	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	110.1	178.1	0	0	0	0	0	110.9	K683 V753 L758 I795	K683-A793 CarbonylContact O-C 3.55Å; K683-A793 WeakPolarHBondContact O-CA 3.34Å; V753-A793 HydrophobicContact CG1-CB 4.24Å; V753-A793 WeakPolarHBondContact CG1-O 3.43Å; L758-A793 HydrophobicContact CD1-CB 3.62Å; A793-I795 HydrophobicContact CB-CD1 4.4Å; A793-I795 HydrophobicContact CB-CG1 4.35Å
794	V	93.2	Very high	92.7	Very high	77 Å²	77	43.8 Å²	43.8	47%	0.467	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112	169.9	-176.6	0	0	0	0	107.2	N682 K683	N682-V794 CarbonylContact C-O 3.45Å; N682-V794 WeakPolarHBondContact CA-O 3.39Å; K683-V794 HydrophobicContact CB-CB 4.13Å; K683-V794 HydrophobicContact CB-CG2 4.5Å; K683-V794 PolarHBondContact N-O 3.47Å; K683-V794 PolarHBondContact O-N 3.4Å
795	I	93.1	Very high	92.4	Very high	15 Å²	15	46 Å²	46	8%	0.077	27%	0.269	C	S	.	.			trans	-116.2	142.9	-177.8	-54.3	-60.3	0	0	0	109.6	N682 L757 V761 A793 R802	N682-I795 HydrophobicContact CB-CD1 4.25Å; L757-I795 HydrophobicContact CD2-CB 3.84Å; L757-I795 HydrophobicContact CD2-CG2 4.32Å; L757-I795 WeakPolarHBondContact CD2-O 3.27Å; L757-I795 HydrophobicContact CG-CB 3.98Å; L757-I795 HydrophobicContact CG-CG2 4.05Å; V761-I795 HydrophobicContact CG1-CG2 3.96Å; V761-I795 HydrophobicContact CG2-CD1 3.92Å; V761-I795 HydrophobicContact CG2-CG1 4.06Å; V761-I795 HydrophobicContact CG2-CG2 4.33Å; A793-I795 HydrophobicContact CB-CD1 4.4Å; A793-I795 HydrophobicContact CB-CG1 4.35Å; I795-R802 HydrophobicContact CG2-CB 4.27Å
796	A	92.7	Very high	92.2	Very high	12 Å²	12	47.3 Å²	47.3	10%	0.099	28%	0.275	C	S	.	.			trans	-66.4	143.4	175.6	0	0	0	0	0	111.5	K681 N682 H801 R802	K681-A796 HydrophobicContact CB-CB 4.01Å; N682-A796 PolarHBondContact OD1-N 2.86Å; A796-H801 HydrophobicContact CB-CB 3.64Å; A796-R802 PolarHBondContact O-NH1 3.41Å; A796-R802 VanDerWaalsContact O-NH1 3.09Å
797	Q	89.1	Confident	92	Very high	134 Å²	134	47.3 Å²	47.3	63%	0.626	28%	0.275	S	S	*	.	S	Bend	trans	-69.6	-38.9	178.4	-71.5	-66.6	-15.1	0	0	112.6	R802	Q797-R802 PolarHBondContact O-NH1 3.43Å
798	E	89.4	Confident	92	Very high	117 Å²	117	48.3 Å²	48.3	55%	0.547	28%	0.28	S	S	.	.	S	Bend	trans	-82	127.7	-178.1	-66.1	178.1	-179.5	0	0	111.4	L800 H801	E798-L800 PolarHBondContact O-N 3.21Å; E798-L800 VanDerWaalsContact O-N 3.14Å; E798-H801 PolarHBondContact O-N 2.83Å; E798-H801 IonicContact OE2-CD2 2.68Å; E798-H801 PolarHBondContact OE2-CD2 3.2Å; E798-H801 IonicContact OE2-NE2 3.73Å; E798-H801 PolarHBondContact OE2-NE2 3.24Å
799	P	88.2	Confident	91.8	Very high	90 Å²	90	51 Å²	51	58%	0.584	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-54.7	-33.9	-179.4	-28.8	35.5	0	0	0	114.9	H801 R802 G803	P799-H801 PolarHBondContact O-N 3.12Å; P799-R802 WeakPolarHBondContact O-CG 3.39Å; P799-R802 PolarHBondContact O-N 3.01Å; P799-R802 VanDerWaalsContact O-N 3.1Å; P799-G803 PolarHBondContact O-N 2.89Å
800	L	88.9	Confident	91.7	Very high	142 Å²	142	49.4 Å²	49.4	74%	0.743	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-57	-32.9	179	-175.8	66.9	0	0	0	112.6	E798	E798-L800 PolarHBondContact O-N 3.21Å; E798-L800 VanDerWaalsContact O-N 3.14Å
801	H	88.8	Confident	91.7	Very high	42 Å²	42	49.4 Å²	49.4	19%	0.194	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-88.3	-4.3	-176.5	-65.7	-42.4	0	0	0	114.1	N679 K681 N682 A796 E798 P799	N679-H801 PolarHBondContact ND2-O 3.15Å; K681-H801 HydrophobicContact CD-CB 3.83Å; K681-H801 PolarHBondContact NZ-CD2 2.81Å; K681-H801 PolarHBondContact NZ-CE1 3Å; K681-H801 VanDerWaalsContact NZ-CE1 3.33Å; K681-H801 PolarHBondContact NZ-NE2 3.25Å; N682-H801 PolarHBondContact ND2-O 2.98Å; A796-H801 HydrophobicContact CB-CB 3.64Å; E798-H801 PolarHBondContact O-N 2.83Å; E798-H801 IonicContact OE2-CD2 2.68Å; E798-H801 PolarHBondContact OE2-CD2 3.2Å; E798-H801 IonicContact OE2-NE2 3.73Å; E798-H801 PolarHBondContact OE2-NE2 3.24Å; P799-H801 PolarHBondContact O-N 3.12Å
802	R	87.9	Confident	91.7	Very high	43 Å²	43	51 Å²	51	16%	0.162	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-127.5	25.4	-178.4	63.8	178.9	-173	-154.4	5.5	112.8	S760 V761 I795 A796 Q797 P799 V807	S760-R802 PolarHBondContact OG-NE 3.22Å; S760-R802 PolarHBondContact OG-NH1 3.42Å; S760-R802 PolarHBondContact OG-NH2 2.95Å; V761-R802 HydrophobicContact CG1-CB 3.84Å; V761-R802 HydrophobicContact CG1-CG 4.1Å; I795-R802 HydrophobicContact CG2-CB 4.27Å; A796-R802 PolarHBondContact O-NH1 3.41Å; A796-R802 VanDerWaalsContact O-NH1 3.09Å; Q797-R802 PolarHBondContact O-NH1 3.43Å; P799-R802 WeakPolarHBondContact O-CG 3.39Å; P799-R802 PolarHBondContact O-N 3.01Å; P799-R802 VanDerWaalsContact O-N 3.1Å; R802-V807 HydrophobicContact CB-CG2 4.36Å
803	G	89.3	Confident	91.7	Very high	33 Å²	33	51.3 Å²	51.3	34%	0.34	29%	0.292	S	S	.	.			trans	-61.4	156.7	174.4	0	0	0	0	0	112.5	P799 G805 Q806 V807	P799-G803 PolarHBondContact O-N 2.89Å; G803-G805 VanDerWaalsContact C-N 3.31Å; G803-G805 PolarHBondContact O-N 2.79Å; G803-Q806 WeakPolarHBondContact O-CB 3.25Å; G803-Q806 PolarHBondContact O-N 2.85Å; G803-V807 PolarHBondContact O-N 2.7Å
804	G	89.9	Confident	91.7	Very high	25 Å²	25	51 Å²	51	26%	0.258	29%	0.289	S	S	.	.	H	α-helix	trans	-52.2	-43.9	-174.9	0	0	0	0	0	113.8	Q806 V807 I808	G804-Q806 PolarHBondContact O-N 3.24Å; G804-V807 PolarHBondContact O-N 2.83Å; G804-I808 VanDerWaalsContact O-CB 3.3Å; G804-I808 WeakPolarHBondContact O-CB 3.48Å; G804-I808 WeakPolarHBondContact O-CD1 3.19Å; G804-I808 WeakPolarHBondContact O-CG1 3.46Å; G804-I808 PolarHBondContact O-N 3.27Å
805	G	90.8	Very high	91.8	Very high	66 Å²	66	47.3 Å²	47.3	68%	0.68	27%	0.267	S	S	*	.	H	α-helix	trans	-61.9	-15.9	178.4	0	0	0	0	0	115.4	G803 P809	G803-G805 VanDerWaalsContact C-N 3.31Å; G803-G805 PolarHBondContact O-N 2.79Å; G805-P809 WeakPolarHBondContact O-CD 3.41Å
806	Q	91.1	Very high	91.9	Very high	62 Å²	62	46.8 Å²	46.8	29%	0.29	26%	0.264	S	S	.	.	H	α-helix	trans	-92.6	-48	172.8	-61.4	-67.7	-53.8	0	0	111.1	T677 G803 G804 T810	T677-Q806 HydrophobicContact CG2-CB 4.14Å; T677-Q806 WeakPolarHBondContact CG2-O 3.36Å; G803-Q806 WeakPolarHBondContact O-CB 3.25Å; G803-Q806 PolarHBondContact O-N 2.85Å; G804-Q806 PolarHBondContact O-N 3.24Å; Q806-T810 PolarHBondContact O-OG1 2.81Å
807	V	94.6	Very high	91.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-76.9	-40.2	-171.5	178.6	0	0	0	0	112.1	I684 V761 I765 R802 G803 G804 T810 A811	I684-V807 HydrophobicContact CD1-CG1 4.18Å; V761-V807 HydrophobicContact CB-CG1 4.41Å; V761-V807 HydrophobicContact CG1-CG2 4.31Å; I765-V807 HydrophobicContact CG1-CG1 3.82Å; R802-V807 HydrophobicContact CB-CG2 4.36Å; G803-V807 PolarHBondContact O-N 2.7Å; G804-V807 PolarHBondContact O-N 2.83Å; V807-T810 PolarHBondContact O-N 3.05Å; V807-A811 WeakPolarHBondContact O-CB 3.48Å; V807-A811 PolarHBondContact O-N 2.88Å
808	I	95.3	Very high	92	Very high	32 Å²	32	39.9 Å²	39.9	16%	0.164	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-51.9	-174.6	-63.9	163.5	0	0	0	111.8	S764 Q767 W771 G804 T810 A811 R812	S764-I808 WeakPolarHBondContact O-CG1 3.47Å; Q767-I808 HydrophobicContact CB-CD1 4.47Å; Q767-I808 HydrophobicContact CB-CG1 4.33Å; Q767-I808 VanDerWaalsContact OE1-CD1 3.26Å; W771-I808 HydrophobicContact CE3-CG2 3.94Å; W771-I808 HydrophobicContact CZ3-CG2 4.22Å; G804-I808 VanDerWaalsContact O-CB 3.3Å; G804-I808 WeakPolarHBondContact O-CB 3.48Å; G804-I808 WeakPolarHBondContact O-CD1 3.19Å; G804-I808 WeakPolarHBondContact O-CG1 3.46Å; G804-I808 PolarHBondContact O-N 3.27Å; I808-T810 VanDerWaalsContact C-N 3.28Å; I808-T810 PolarHBondContact O-N 3.23Å; I808-A811 PolarHBondContact O-N 3.34Å; I808-R812 PolarHBondContact O-N 2.81Å
809	P	94.4	Very high	92.3	Very high	56 Å²	56	34.3 Å²	34.3	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-65.6	-33.6	178.4	-20	34.2	0	0	0	112.3	G805 R812 R813	G805-P809 WeakPolarHBondContact O-CD 3.41Å; P809-R812 PolarHBondContact O-N 2.96Å; P809-R813 VanDerWaalsContact O-CG 3.29Å; P809-R813 WeakPolarHBondContact O-CG 3.46Å; P809-R813 PolarHBondContact O-N 2.92Å
810	T	93.6	Very high	92.5	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-67.9	-41.3	178	-53.1	0	0	0	0	111.2	A675 T677 Q806 V807 I808 R813 V814	A675-T810 HydrophobicContact CB-CG2 3.71Å; T677-T810 HydrophobicContact CG2-CG2 4.09Å; T677-T810 WeakPolarHBondContact CG2-OG1 3.32Å; Q806-T810 PolarHBondContact O-OG1 2.81Å; V807-T810 PolarHBondContact O-N 3.05Å; I808-T810 VanDerWaalsContact C-N 3.28Å; I808-T810 PolarHBondContact O-N 3.23Å; T810-R813 PolarHBondContact O-N 3.17Å; T810-V814 PolarHBondContact O-N 3.49Å
811	A	95	Very high	92.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-43	173.4	0	0	0	0	0	111.5	I684 I765 V807 I808 R813 V814 V815	I684-A811 HydrophobicContact CD1-CB 4.46Å; I765-A811 HydrophobicContact CG2-CB 4.4Å; V807-A811 WeakPolarHBondContact O-CB 3.48Å; V807-A811 PolarHBondContact O-N 2.88Å; I808-A811 PolarHBondContact O-N 3.34Å; A811-R813 PolarHBondContact O-N 3.31Å; A811-V814 WeakPolarHBondContact O-CG1 3.38Å; A811-V814 PolarHBondContact O-N 2.83Å; A811-V815 VanDerWaalsContact O-CG2 3.28Å; A811-V815 WeakPolarHBondContact O-CG2 3.34Å; A811-V815 PolarHBondContact O-N 3.34Å; A811-V815 VanDerWaalsContact O-N 3.09Å
812	R	95	Very high	92.5	Very high	60 Å²	60	23 Å²	23	23%	0.226	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-45.3	173.8	176.7	173.3	171.1	-145.8	-8.8	112	W771 E775 I808 P809 V815 Y816	W771-R812 VanDerWaalsContact CH2-NH1 3.3Å; E775-R812 IonicContact OE2-CZ 3.15Å; E775-R812 IonicContact OE2-NE 2.64Å; E775-R812 PolarHBondContact OE2-NE 2.94Å; E775-R812 IonicContact OE2-NH1 3.69Å; E775-R812 IonicContact OE2-NH2 3.7Å; E775-R812 PolarHBondContact OE2-NH2 3.31Å; I808-R812 PolarHBondContact O-N 2.81Å; P809-R812 PolarHBondContact O-N 2.96Å; R812-V815 WeakPolarHBondContact O-CB 3.2Å; R812-V815 PolarHBondContact O-N 3.26Å; R812-Y816 HydrophobicContact CG-CD2 4.21Å; R812-Y816 HydrophobicContact CG-CE2 3.64Å; R812-Y816 PolarHBondContact NE-OH 3.26Å; R812-Y816 PolarHBondContact NH2-OH 2.98Å; R812-Y816 PolarHBondContact O-N 3.3Å; R812-Y816 VanDerWaalsContact O-N 3.08Å
813	R	92.4	Very high	92.6	Very high	63 Å²	63	23 Å²	23	24%	0.238	15%	0.145	C	C	.	.	H	α-helix	trans	-65.1	-40.8	178.6	-71.2	175	64.4	-145.2	-3.5	113.4	A675 P809 T810 A811 V815 Y816 S817 F951 D953	A675-R813 HydrophobicContact CB-CB 4.4Å; P809-R813 VanDerWaalsContact O-CG 3.29Å; P809-R813 WeakPolarHBondContact O-CG 3.46Å; P809-R813 PolarHBondContact O-N 2.92Å; T810-R813 PolarHBondContact O-N 3.17Å; A811-R813 PolarHBondContact O-N 3.31Å; R813-V815 VanDerWaalsContact C-N 3.31Å; R813-V815 PolarHBondContact O-N 3.42Å; R813-Y816 PolarHBondContact O-N 3.2Å; R813-S817 PolarHBondContact O-N 3.38Å; R813-S817 PolarHBondContact O-OG 2.84Å; R813-F951 PolarHBondContact NH2-O 3.13Å; R813-D953 IonicContact CZ-OD1 3.51Å; R813-D953 IonicContact NH1-OD1 3.37Å; R813-D953 PolarHBondContact NH1-OD1 2.9Å; R813-D953 IonicContact NH1-OD2 3.42Å; R813-D953 IonicContact NH2-OD1 2.75Å; R813-D953 PolarHBondContact NH2-OD1 2.98Å; R813-D953 IonicContact NH2-OD2 3.79Å
814	V	93.9	Very high	92.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67.1	-34.9	176.7	68.5	0	0	0	0	111.5	A675 I684 M686 T810 A811 S817 A818	A675-V814 HydrophobicContact CB-CB 3.82Å; I684-V814 HydrophobicContact CB-CG1 4.33Å; I684-V814 HydrophobicContact CG2-CG1 4.02Å; I684-V814 WeakPolarHBondContact O-CG2 3.18Å; M686-V814 HydrophobicContact CB-CG2 3.89Å; M686-V814 HydrophobicContact CE-CG1 3.78Å; M686-V814 HydrophobicContact CG-CG1 4.07Å; M686-V814 HydrophobicContact CG-CG2 3.91Å; M686-V814 HydrophobicContact SD-CG1 3.74Å; M686-V814 HydrophobicContact SD-CG2 4.49Å; T810-V814 PolarHBondContact O-N 3.49Å; A811-V814 WeakPolarHBondContact O-CG1 3.38Å; A811-V814 PolarHBondContact O-N 2.83Å; V814-S817 VanDerWaalsContact CA-OG 3.32Å; V814-S817 WeakPolarHBondContact CA-OG 3.38Å; V814-S817 PolarHBondContact O-OG 3.18Å; V814-S817 VanDerWaalsContact O-OG 3.06Å; V814-A818 VanDerWaalsContact O-CB 3.22Å; V814-A818 WeakPolarHBondContact O-CB 3.12Å; V814-A818 PolarHBondContact O-N 2.98Å
815	V	95.3	Very high	93.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-47.3	172.6	166.1	0	0	0	0	110.8	M686 F769 T773 F788 A811 R812 R813 F819	M686-V815 HydrophobicContact CE-CG2 4.44Å; M686-V815 HydrophobicContact SD-CG2 3.89Å; F769-V815 HydrophobicContact CB-CG2 4.39Å; F769-V815 HydrophobicContact CD2-CG2 3.98Å; T773-V815 HydrophobicContact CG2-CG1 4.38Å; F788-V815 HydrophobicContact CD1-CG1 4.33Å; F788-V815 HydrophobicContact CD1-CG2 4.39Å; F788-V815 HydrophobicContact CE1-CB 4.29Å; F788-V815 HydrophobicContact CE1-CG1 3.71Å; F788-V815 WeakPolarHBondContact CE1-O 3.26Å; F788-V815 HydrophobicContact CE2-CG1 4.37Å; F788-V815 HydrophobicContact CZ-CG1 3.71Å; A811-V815 VanDerWaalsContact O-CG2 3.28Å; A811-V815 WeakPolarHBondContact O-CG2 3.34Å; A811-V815 PolarHBondContact O-N 3.34Å; A811-V815 VanDerWaalsContact O-N 3.09Å; R812-V815 WeakPolarHBondContact O-CB 3.2Å; R812-V815 PolarHBondContact O-N 3.26Å; R813-V815 VanDerWaalsContact C-N 3.31Å; R813-V815 PolarHBondContact O-N 3.42Å; V815-F819 VanDerWaalsContact O-CB 3.29Å; V815-F819 WeakPolarHBondContact O-CB 3.2Å; V815-F819 PolarHBondContact O-N 3.06Å
816	Y	94.4	Very high	93.5	Very high	4 Å²	4	19 Å²	19	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-45.8	177.2	-66.6	-22.6	0	0	0	113.7	G772 E775 P777 R812 R813 F819 L820 F951	G772-Y816 VanDerWaalsContact O-CE1 3.23Å; G772-Y816 WeakPolarHBondContact O-CE1 3.35Å; E775-Y816 PolarHBondContact OE2-OH 2.88Å; P777-Y816 HydrophobicContact CB-CD1 3.74Å; P777-Y816 HydrophobicContact CB-CD2 4.49Å; P777-Y816 HydrophobicContact CB-CE1 4.25Å; P777-Y816 HydrophobicContact CB-CG 3.86Å; P777-Y816 HydrophobicContact CG-CD1 3.87Å; P777-Y816 HydrophobicContact CG-CE1 4.48Å; P777-Y816 HydrophobicContact CG-CG 4.35Å; R812-Y816 HydrophobicContact CG-CD2 4.21Å; R812-Y816 HydrophobicContact CG-CE2 3.64Å; R812-Y816 PolarHBondContact NE-OH 3.26Å; R812-Y816 PolarHBondContact NH2-OH 2.98Å; R812-Y816 PolarHBondContact O-N 3.3Å; R812-Y816 VanDerWaalsContact O-N 3.08Å; R813-Y816 PolarHBondContact O-N 3.2Å; Y816-F819 PolarHBondContact O-N 3.32Å; Y816-L820 WeakPolarHBondContact O-CB 3.33Å; Y816-L820 VanDerWaalsContact O-CG 3.3Å; Y816-L820 WeakPolarHBondContact O-CG 3.27Å; Y816-L820 PolarHBondContact O-N 3.33Å; Y816-F951 AromaticContact CD2-CD1 3.62Å; Y816-F951 HydrophobicContact CD2-CD1 3.62Å; Y816-F951 AromaticContact CD2-CE1 3.53Å; Y816-F951 HydrophobicContact CD2-CE1 3.53Å; Y816-F951 HydrophobicContact CD2-CG 4.43Å; Y816-F951 HydrophobicContact CD2-CZ 4.28Å; Y816-F951 HydrophobicContact CE2-CD1 4.49Å; Y816-F951 HydrophobicContact CE2-CE1 4.02Å; Y816-F951 HydrophobicContact CG-CD1 4.36Å; Y816-F951 HydrophobicContact CG-CE1 4.44Å
817	S	91.6	Very high	93.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-65.3	-39.8	178.9	53.5	0	0	0	0	112.3	C673 R813 V814 M821	C673-S817 PolarHBondContact SG-O 3.01Å; R813-S817 PolarHBondContact O-N 3.38Å; R813-S817 PolarHBondContact O-OG 2.84Å; V814-S817 VanDerWaalsContact CA-OG 3.32Å; V814-S817 WeakPolarHBondContact CA-OG 3.38Å; V814-S817 PolarHBondContact O-OG 3.18Å; V814-S817 VanDerWaalsContact O-OG 3.06Å; S817-M821 WeakPolarHBondContact O-CG 3.4Å; S817-M821 PolarHBondContact O-N 3.25Å
818	A	93.2	Very high	93.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-42	174	0	0	0	0	0	111.7	C673 M686 A688 F788 V814	C673-A818 HydrophobicContact CB-CB 4.34Å; M686-A818 HydrophobicContact CB-CB 4.22Å; A688-A818 HydrophobicContact CB-CB 4.2Å; F788-A818 HydrophobicContact CD1-CB 4.46Å; F788-A818 HydrophobicContact CE1-CB 4.45Å; V814-A818 VanDerWaalsContact O-CB 3.22Å; V814-A818 WeakPolarHBondContact O-CB 3.12Å; V814-A818 PolarHBondContact O-N 2.98Å
819	F	94.9	Very high	93.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.3	-46.8	178.4	-179.1	-88.2	0	0	0	112.6	E663 T664 V665 P777 L778 I783 V786 F788 V815 Y816 M821 A822 P824	E663-F819 HydrophobicContact CB-CE1 4.23Å; E663-F819 HydrophobicContact CB-CE2 4.35Å; E663-F819 HydrophobicContact CB-CZ 3.62Å; T664-F819 WeakPolarHBondContact O-CZ 3.44Å; V665-F819 HydrophobicContact CG1-CD2 3.5Å; V665-F819 VanDerWaalsContact CG1-CD2 3.5Å; V665-F819 HydrophobicContact CG1-CE2 3.49Å; V665-F819 VanDerWaalsContact CG1-CE2 3.49Å; V665-F819 HydrophobicContact CG1-CG 4.19Å; V665-F819 HydrophobicContact CG1-CZ 4.16Å; P777-F819 HydrophobicContact CG-CB 4.43Å; P777-F819 HydrophobicContact CG-CD1 3.37Å; P777-F819 HydrophobicContact CG-CE1 3.92Å; P777-F819 HydrophobicContact CG-CG 4.15Å; L778-F819 HydrophobicContact CD1-CE1 4.11Å; L778-F819 HydrophobicContact CG-CE1 4.04Å; I783-F819 HydrophobicContact CD1-CD2 3.99Å; I783-F819 HydrophobicContact CD1-CE2 4.34Å; I783-F819 HydrophobicContact CD1-CG 4.3Å; I783-F819 HydrophobicContact CG1-CE2 4.4Å; I783-F819 HydrophobicContact CG2-CD2 4.06Å; I783-F819 HydrophobicContact CG2-CE2 3.81Å; V786-F819 HydrophobicContact CG1-CD2 4.47Å; V786-F819 HydrophobicContact CG2-CD2 4.2Å; V786-F819 HydrophobicContact CG2-CE2 3.93Å; F788-F819 HydrophobicContact CE1-CB 4.29Å; F788-F819 HydrophobicContact CZ-CB 4.34Å; F788-F819 HydrophobicContact CZ-CD2 4.33Å; V815-F819 VanDerWaalsContact O-CB 3.29Å; V815-F819 WeakPolarHBondContact O-CB 3.2Å; V815-F819 PolarHBondContact O-N 3.06Å; Y816-F819 PolarHBondContact O-N 3.32Å; F819-M821 PolarHBondContact O-N 2.8Å; F819-A822 PolarHBondContact O-N 3.29Å; F819-P824 HydrophobicContact CD1-CB 4.05Å; F819-P824 HydrophobicContact CE1-CB 3.41Å; F819-P824 VanDerWaalsContact CE1-CB 3.41Å; F819-P824 HydrophobicContact CZ-CB 3.93Å
820	L	91.4	Very high	94	Very high	11 Å²	11	13.5 Å²	13.5	6%	0.058	6%	0.059	C	C	.	.	H	α-helix	trans	-64.8	-25.6	-178.8	-70.5	171.4	0	0	0	113.2	P777 L778 Y816 P824 V946 F951	P777-L820 HydrophobicContact CB-CD1 4.29Å; P777-L820 HydrophobicContact CB-CD2 4.24Å; P777-L820 HydrophobicContact CB-CG 4.23Å; P777-L820 HydrophobicContact CG-CD2 4.11Å; P777-L820 HydrophobicContact CG-CG 4.13Å; L778-L820 HydrophobicContact CD2-CD2 3.83Å; Y816-L820 WeakPolarHBondContact O-CB 3.33Å; Y816-L820 VanDerWaalsContact O-CG 3.3Å; Y816-L820 WeakPolarHBondContact O-CG 3.27Å; Y816-L820 PolarHBondContact O-N 3.33Å; L820-P824 HydrophobicContact CD2-CG 4.45Å; L820-V946 HydrophobicContact CD1-CG1 4.08Å; L820-V946 HydrophobicContact CD2-CG1 3.98Å; L820-F951 HydrophobicContact CD1-CD2 3.63Å; L820-F951 HydrophobicContact CD1-CE2 4.18Å; L820-F951 HydrophobicContact CD1-CG 4.48Å
821	M	89.6	Confident	94.2	Very high	24 Å²	24	13.4 Å²	13.4	12%	0.118	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.6	176	-70	-66.6	168.3	0	0	113.9	S669 S670 C673 S817 F819 I948 F952 L960	S669-M821 WeakPolarHBondContact CA-O 3.46Å; S670-M821 PolarHBondContact N-O 2.88Å; C673-M821 VanDerWaalsContact SG-CG 3.6Å; S817-M821 WeakPolarHBondContact O-CG 3.4Å; S817-M821 PolarHBondContact O-N 3.25Å; F819-M821 PolarHBondContact O-N 2.8Å; M821-I948 HydrophobicContact CE-CG2 4.12Å; M821-F952 HydrophobicContact CE-CD1 4.47Å; M821-F952 HydrophobicContact CE-CE1 3.48Å; M821-F952 VanDerWaalsContact CE-CE1 3.48Å; M821-F952 HydrophobicContact CE-CE2 4.13Å; M821-F952 HydrophobicContact CE-CZ 3.25Å; M821-F952 HydrophobicContact CG-CE1 4.23Å; M821-F952 HydrophobicContact CG-CZ 3.8Å; M821-F952 HydrophobicContact SD-CZ 4.38Å; M821-L960 HydrophobicContact CE-CD1 3.76Å; M821-L960 HydrophobicContact CE-CD2 3.56Å; M821-L960 HydrophobicContact CE-CG 4.34Å; M821-L960 HydrophobicContact SD-CD2 4.29Å
822	A	88.4	Confident	94.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-99.7	33.2	-175.8	0	0	0	0	0	113.2	V665 E667 A688 F819	V665-A822 HydrophobicContact CB-CB 3.91Å; V665-A822 VanDerWaalsContact CB-O 3.3Å; V665-A822 WeakPolarHBondContact CB-O 3.43Å; V665-A822 HydrophobicContact CG1-CB 3.64Å; E667-A822 WeakPolarHBondContact O-CB 3.43Å; A688-A822 HydrophobicContact CB-CB 3.92Å; F819-A822 PolarHBondContact O-N 3.29Å
823	T	91.6	Very high	94.4	Very high	43 Å²	43	11.7 Å²	11.7	26%	0.264	5%	0.053	S	C	.	.			trans	50.5	71.3	-179.6	-51.7	0	0	0	0	111.6	V666	V666-T823 HydrophobicContact CG2-CG2 3.69Å
824	P	94.4	Very high	94.6	Very high	1 Å²	1	9 Å²	9	1%	0.006	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	147.3	-172.9	29.4	-36.7	0	0	0	112.4	T664 L778 F819 L820 L911	T664-P824 CarbonylContact O-C 3.5Å; T664-P824 WeakPolarHBondContact O-CA 3.35Å; L778-P824 HydrophobicContact CD1-CB 3.92Å; L778-P824 HydrophobicContact CD2-CB 4.09Å; L778-P824 HydrophobicContact CD2-CG 4.09Å; L778-P824 HydrophobicContact CG-CB 4.39Å; F819-P824 HydrophobicContact CD1-CB 4.05Å; F819-P824 HydrophobicContact CE1-CB 3.41Å; F819-P824 VanDerWaalsContact CE1-CB 3.41Å; F819-P824 HydrophobicContact CZ-CB 3.93Å; L820-P824 HydrophobicContact CD2-CG 4.45Å; P824-L911 HydrophobicContact CG-CD1 3.45Å; P824-L911 VanDerWaalsContact CG-CD1 3.45Å; P824-L911 HydrophobicContact CG-CG 4.16Å
825	R	96.1	Very high	94.8	Very high	41 Å²	41	9 Å²	9	16%	0.155	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.1	178.4	-66	-66.1	175.7	-110.4	16.3	110.2	T664 V666 I905 G908 D909	T664-R825 HydrophobicContact CG2-CB 4.04Å; T664-R825 PolarHBondContact N-O 3.27Å; T664-R825 PolarHBondContact O-N 3.46Å; V666-R825 HydrophobicContact CG1-CB 4.48Å; V666-R825 HydrophobicContact CG1-CG 3.74Å; V666-R825 HydrophobicContact CG2-CG 4.22Å; R825-I905 HydrophobicContact CB-CG2 3.98Å; R825-I905 HydrophobicContact CG-CG2 4.24Å; R825-G908 WeakPolarHBondContact CD-O 3.35Å; R825-D909 IonicContact CZ-OD1 3.64Å; R825-D909 IonicContact CZ-OD2 3.73Å; R825-D909 VanDerWaalsContact CZ-OD2 3.29Å; R825-D909 IonicContact NH1-OD1 3.64Å; R825-D909 PolarHBondContact NH1-OD1 3.09Å; R825-D909 IonicContact NH1-OD2 2.71Å; R825-D909 PolarHBondContact NH1-OD2 2.86Å; R825-D909 IonicContact NH2-OD2 3.98Å; R825-D909 PolarHBondContact NH2-OD2 3.12Å
826	L	96.8	Very high	94.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	146.7	167.8	-70.3	179.8	0	0	0	110.2	C662 E663 L778 I905 V906 P910 A929 F932 M933	C662-L826 CarbonylContact O-C 3.47Å; E663-L826 HydrophobicContact CG-CD2 4.12Å; L778-L826 HydrophobicContact CD1-CD2 4.02Å; L778-L826 HydrophobicContact CD1-CG 4.5Å; L826-I905 WeakPolarHBondContact O-CA 3.48Å; L826-V906 HydrophobicContact CB-CB 4.4Å; L826-V906 HydrophobicContact CB-CG2 4.03Å; L826-V906 PolarHBondContact O-N 2.91Å; L826-P910 HydrophobicContact CD1-CB 4.48Å; L826-P910 HydrophobicContact CG-CB 4.3Å; L826-A929 WeakPolarHBondContact CD1-O 3.31Å; L826-F932 HydrophobicContact CD1-CB 4.12Å; L826-M933 HydrophobicContact CD1-CB 3.88Å
827	M	96.5	Very high	94.9	Very high	16 Å²	16	9.9 Å²	9.9	8%	0.079	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.1	168.2	-54.9	-172.8	79.6	0	0	109	F661 C662 T664 R784 W903 Q904 I905	F661-M827 WeakPolarHBondContact CA-O 3.44Å; C662-M827 HydrophobicContact CB-CB 4.11Å; C662-M827 PolarHBondContact N-O 3.29Å; C662-M827 PolarHBondContact O-N 2.93Å; T664-M827 HydrophobicContact CG2-CG 3.48Å; T664-M827 VanDerWaalsContact CG2-CG 3.48Å; T664-M827 HydrophobicContact CG2-SD 3.79Å; R784-M827 HydrophobicContact CB-SD 4.17Å; R784-M827 HydrophobicContact CG-SD 4.19Å; M827-W903 HydrophobicContact CB-CB 4.18Å; M827-W903 HydrophobicContact CB-CE3 4.37Å; M827-W903 HydrophobicContact CE-CB 3.62Å; M827-W903 WeakPolarHBondContact CE-O 3.34Å; M827-W903 HydrophobicContact SD-CB 4.19Å; M827-Q904 CarbonylContact C-O 3.51Å; M827-Q904 WeakPolarHBondContact CA-O 3.21Å; M827-I905 HydrophobicContact CG-CG1 4.41Å
828	E	96.3	Very high	95.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	148.1	170.1	64.7	-175.3	172.7	0	0	109.9	F661 Y830 R853 Q904 V906	F661-E828 HydrophobicContact CD1-CB 4.25Å; F661-E828 HydrophobicContact CE1-CB 4.14Å; E828-Y830 HydrophobicContact CG-CD2 3.96Å; E828-Y830 HydrophobicContact CG-CE2 3.41Å; E828-Y830 VanDerWaalsContact CG-CE2 3.41Å; E828-Y830 WeakPolarHBondContact OE1-CE2 3.4Å; E828-Y830 VanDerWaalsContact OE1-CZ 3.3Å; E828-Y830 PolarHBondContact OE1-OH 3.09Å; E828-R853 IonicContact OE1-CZ 2.7Å; E828-R853 IonicContact OE1-NH1 3.88Å; E828-R853 PolarHBondContact OE1-NH1 3.41Å; E828-R853 IonicContact OE1-NH2 3.61Å; E828-R853 IonicContact OE2-CZ 3.52Å; E828-R853 IonicContact OE2-NH1 2.76Å; E828-R853 PolarHBondContact OE2-NH1 2.77Å; E828-R853 IonicContact OE2-NH2 3.52Å; E828-R853 PolarHBondContact OE2-NH2 2.83Å; E828-Q904 PolarHBondContact N-O 3.2Å; E828-Q904 PolarHBondContact O-N 2.98Å; E828-V906 HydrophobicContact CB-CG2 3.66Å; E828-V906 HydrophobicContact CG-CG2 3.86Å
829	P	96.8	Very high	95.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.6	175	28.3	-27.8	0	0	0	110.8	V586 V659 T660 A876 F900 W903	V586-P829 HydrophobicContact CB-CB 4.33Å; V586-P829 HydrophobicContact CB-CG 4.33Å; V586-P829 HydrophobicContact CG1-CB 3.5Å; V586-P829 HydrophobicContact CG1-CG 3.58Å; V659-P829 HydrophobicContact CB-CG 3.8Å; V659-P829 HydrophobicContact CG1-CG 4.22Å; V659-P829 HydrophobicContact CG2-CG 4.06Å; T660-P829 WeakPolarHBondContact O-CD 3.45Å; P829-A876 HydrophobicContact CB-CB 4.39Å; P829-A876 HydrophobicContact CG-CB 4.03Å; P829-A876 WeakPolarHBondContact O-CB 3.44Å; P829-A876 PolarHBondContact O-N 2.92Å; P829-F900 HydrophobicContact CB-CD2 4.03Å; P829-F900 HydrophobicContact CB-CE2 3.78Å; P829-W903 HydrophobicContact CB-CD2 4.44Å; P829-W903 HydrophobicContact CB-CE3 3.88Å; P829-W903 HydrophobicContact CB-CH2 4Å; P829-W903 HydrophobicContact CB-CZ3 3.65Å; P829-W903 HydrophobicContact CG-CE3 4.42Å; P829-W903 HydrophobicContact CG-CH2 4.26Å; P829-W903 HydrophobicContact CG-CZ3 3.83Å
830	Y	96.9	Very high	95.2	Very high	16 Å²	16	19.5 Å²	19.5	6%	0.063	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.7	174.6	-86.3	-108.9	0	0	0	110.8	E828 F873 I874 P875 H901 H902 Q904	E828-Y830 HydrophobicContact CG-CD2 3.96Å; E828-Y830 HydrophobicContact CG-CE2 3.41Å; E828-Y830 VanDerWaalsContact CG-CE2 3.41Å; E828-Y830 WeakPolarHBondContact OE1-CE2 3.4Å; E828-Y830 VanDerWaalsContact OE1-CZ 3.3Å; E828-Y830 PolarHBondContact OE1-OH 3.09Å; Y830-F873 HydrophobicContact CD1-CB 4.15Å; Y830-I874 CarbonylContact C-O 3.21Å; Y830-I874 WeakPolarHBondContact CA-O 3.49Å; Y830-P875 HydrophobicContact CD1-CG 4.4Å; Y830-P875 HydrophobicContact CE1-CB 4.33Å; Y830-P875 HydrophobicContact CE1-CG 3.68Å; Y830-P875 HydrophobicContact CE2-CB 4.41Å; Y830-P875 HydrophobicContact CE2-CG 4.39Å; Y830-H901 PolarHBondContact O-N 3.03Å; Y830-H901 VanDerWaalsContact O-N 3.08Å; Y830-H902 PolarHBondContact N-O 3.19Å; Y830-H902 PolarHBondContact O-N 3.21Å; Y830-Q904 HydrophobicContact CD2-CB 3.57Å; Y830-Q904 HydrophobicContact CE2-CB 3.52Å; Y830-Q904 HydrophobicContact CE2-CG 4.05Å; Y830-Q904 HydrophobicContact CG-CB 4.46Å
831	Y	97.3	Very high	95.4	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.1	170.4	-76.7	1.7	0	0	0	110.3	V586 I587 T631 F873 I874 A876 V899 F900	V586-Y831 HydrophobicContact CG2-CE1 4.03Å; I587-Y831 HydrophobicContact CD1-CE2 4.2Å; I587-Y831 WeakPolarHBondContact CD1-OH 3Å; I587-Y831 WeakPolarHBondContact CG1-OH 3.38Å; T631-Y831 PolarHBondContact O-OH 3.16Å; Y831-F873 WeakPolarHBondContact O-CA 3.18Å; Y831-I874 PolarHBondContact N-O 3Å; Y831-I874 PolarHBondContact O-N 3.43Å; Y831-A876 HydrophobicContact CD1-CB 3.76Å; Y831-A876 HydrophobicContact CD2-CB 4.17Å; Y831-A876 HydrophobicContact CE1-CB 3.73Å; Y831-A876 HydrophobicContact CE2-CB 4.11Å; Y831-A876 HydrophobicContact CG-CB 4.03Å; Y831-V899 CarbonylContact C-O 3.47Å; Y831-V899 WeakPolarHBondContact CA-O 3.35Å; Y831-F900 HydrophobicContact CD1-CB 4.16Å; Y831-F900 HydrophobicContact CE1-CB 3.88Å; Y831-F900 HydrophobicContact CE1-CD2 4.39Å
832	F	97.7	Very high	95.6	Very high	23 Å²	23	19.2 Å²	19.2	10%	0.101	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.2	160.2	-178.5	-103.1	0	0	0	108.5	L236 E834 K871 F873 S898 V899 H901	L236-F832 HydrophobicContact CD1-CD1 3.51Å; L236-F832 HydrophobicContact CD1-CE1 3.64Å; F832-E834 HydrophobicContact CE1-CB 4.29Å; F832-K871 HydrophobicContact CE1-CG 4.46Å; F832-K871 HydrophobicContact CE2-CB 3.83Å; F832-K871 HydrophobicContact CE2-CG 4.31Å; F832-K871 HydrophobicContact CZ-CB 3.66Å; F832-K871 HydrophobicContact CZ-CD 3.75Å; F832-K871 HydrophobicContact CZ-CG 3.62Å; F832-F873 HydrophobicContact CB-CD1 4.19Å; F832-F873 HydrophobicContact CB-CE1 3.93Å; F832-F873 HydrophobicContact CD2-CD1 4.03Å; F832-F873 AromaticContact CD2-CE1 3.56Å; F832-F873 HydrophobicContact CD2-CE1 3.56Å; F832-F873 HydrophobicContact CD2-CZ 4Å; F832-F873 HydrophobicContact CG-CE1 4.23Å; F832-S898 WeakPolarHBondContact O-CA 3.37Å; F832-V899 HydrophobicContact CB-CG1 4.31Å; F832-V899 PolarHBondContact N-O 3.46Å; F832-V899 PolarHBondContact O-N 3.19Å; F832-H901 HydrophobicContact CB-CB 3.77Å
833	V	96.9	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.2	-178.8	-179	0	0	0	0	108.4	V835 K871 A872 I874 F882 A896 L897	V833-V835 HydrophobicContact CG1-CG2 3.69Å; V833-K871 CarbonylContact O-C 3.48Å; V833-K871 WeakPolarHBondContact O-CA 3.39Å; V833-A872 PolarHBondContact N-O 3.28Å; V833-A872 PolarHBondContact O-N 3.43Å; V833-I874 HydrophobicContact CG2-CB 4.24Å; V833-I874 HydrophobicContact CG2-CG2 3.4Å; V833-I874 VanDerWaalsContact CG2-CG2 3.4Å; V833-F882 HydrophobicContact CG1-CD1 4.43Å; V833-F882 HydrophobicContact CG1-CE1 3.57Å; V833-F882 HydrophobicContact CG1-CZ 4.2Å; V833-A896 HydrophobicContact CG1-CB 4.1Å; V833-L897 WeakPolarHBondContact CA-O 3.48Å
834	E	97.6	Very high	96.1	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.037	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.6	169	-169.5	169	123.7	0	0	108.8	M235 L236 F832 T869 K871 A896 L897	M235-E834 WeakPolarHBondContact CA-OE1 3.44Å; L236-E834 WeakPolarHBondContact CA-OE2 3.37Å; L236-E834 HydrophobicContact CB-CB 3.89Å; L236-E834 HydrophobicContact CB-CG 4.37Å; L236-E834 WeakPolarHBondContact CB-OE2 3.29Å; L236-E834 HydrophobicContact CD2-CB 4.14Å; L236-E834 VanDerWaalsContact N-CD 3.32Å; L236-E834 PolarHBondContact N-OE1 3.33Å; L236-E834 PolarHBondContact N-OE2 2.79Å; F832-E834 HydrophobicContact CE1-CB 4.29Å; E834-T869 HydrophobicContact CG-CG2 3.5Å; E834-K871 HydrophobicContact CG-CG 4.45Å; E834-K871 WeakPolarHBondContact OE2-CE 3.34Å; E834-A896 WeakPolarHBondContact O-CA 3.29Å; E834-L897 PolarHBondContact N-O 3.08Å; E834-L897 PolarHBondContact O-N 3.33Å
835	V	97.3	Very high	96.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.1	178.4	-174.9	0	0	0	0	109.2	V833 A837 V845 T869 I870 F882 L886 A894 F895 A896	V833-V835 HydrophobicContact CG1-CG2 3.69Å; V835-A837 HydrophobicContact CG1-CB 4.33Å; V835-V845 HydrophobicContact CB-CG1 4.2Å; V835-V845 HydrophobicContact CG1-CG1 4.04Å; V835-V845 HydrophobicContact CG1-CG2 3.96Å; V835-V845 HydrophobicContact CG2-CG1 3.98Å; V835-T869 CarbonylContact O-C 3.57Å; V835-T869 WeakPolarHBondContact O-CA 3.02Å; V835-I870 HydrophobicContact CB-CB 4.24Å; V835-I870 PolarHBondContact N-O 2.69Å; V835-I870 PolarHBondContact O-N 3.46Å; V835-F882 HydrophobicContact CG2-CZ 4.47Å; V835-L886 HydrophobicContact CG1-CD2 3.68Å; V835-L886 HydrophobicContact CG2-CD2 4.05Å; V835-A894 HydrophobicContact CG1-CB 4.16Å; V835-F895 CarbonylContact C-O 3.45Å; V835-F895 VanDerWaalsContact CA-O 3.3Å; V835-F895 WeakPolarHBondContact CA-O 3.21Å; V835-A896 HydrophobicContact CG2-CB 3.87Å
836	Q	96.3	Very high	96.2	Very high	21 Å²	21	24.7 Å²	24.7	10%	0.098	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.3	165.1	-62.2	-178.9	23.7	0	0	108.6	E232 M235 Y868 A894 F895	E232-Q836 PolarHBondContact OE2-NE2 3.41Å; E232-Q836 PolarHBondContact OE2-OE1 3.44Å; M235-Q836 VanDerWaalsContact CE-CD 3.41Å; M235-Q836 HydrophobicContact CE-CG 4.12Å; M235-Q836 HydrophobicContact SD-CG 4.36Å; M235-Q836 PolarHBondContact SD-NE2 2.86Å; Q836-Y868 WeakPolarHBondContact CA-O 2.94Å; Q836-A894 CarbonylContact O-C 3.53Å; Q836-A894 VanDerWaalsContact O-CA 3.3Å; Q836-A894 WeakPolarHBondContact O-CA 3.23Å; Q836-F895 PolarHBondContact N-O 3.17Å; Q836-F895 PolarHBondContact O-N 2.86Å
837	A	96.1	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.6	-179.9	0	0	0	0	0	111	V835 C841 V845 Y868 I870 A894	V835-A837 HydrophobicContact CG1-CB 4.33Å; A837-C841 HydrophobicContact CB-CB 4.17Å; A837-V845 HydrophobicContact CB-CG2 4.06Å; A837-Y868 PolarHBondContact N-O 3.18Å; A837-Y868 PolarHBondContact O-N 2.75Å; A837-I870 HydrophobicContact CB-CD1 4.47Å; A837-A894 HydrophobicContact CB-CB 3.76Å
838	P	95.8	Very high	96.2	Very high	24 Å²	24	27.7 Å²	27.7	16%	0.156	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	161.3	166.4	-4.6	18.8	0	0	0	110.8	D840 C841 V842 L867 Q893	P838-D840 WeakPolarHBondContact CB-OD1 3.33Å; P838-D840 PolarHBondContact O-N 3.37Å; P838-D840 VanDerWaalsContact O-N 3.13Å; P838-C841 PolarHBondContact O-N 3.05Å; P838-V842 PolarHBondContact O-N 3.06Å; P838-L867 HydrophobicContact CB-CD2 4.1Å; P838-L867 HydrophobicContact CG-CD2 3.97Å; P838-Q893 HydrophobicContact CG-CB 4.02Å
839	A	93.9	Very high	96.2	Very high	59 Å²	59	27.7 Å²	27.7	49%	0.488	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.9	-171.5	0	0	0	0	0	114.7	Y868	A839-Y868 HydrophobicContact CB-CD2 3.98Å; A839-Y868 HydrophobicContact CB-CE2 3.61Å
840	D	95.2	Very high	96.1	Very high	120 Å²	120	31.3 Å²	31.3	64%	0.642	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-34.1	178.3	59.4	-15.7	0	0	0	112.7	P838	P838-D840 WeakPolarHBondContact CB-OD1 3.33Å; P838-D840 PolarHBondContact O-N 3.37Å; P838-D840 VanDerWaalsContact O-N 3.13Å
841	C	96.1	Very high	96	Very high	13 Å²	13	39 Å²	39	9%	0.088	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.7	-176.8	-66	0	0	0	0	113.5	A837 P838 S843 A844 V845 T890	A837-C841 HydrophobicContact CB-CB 4.17Å; P838-C841 PolarHBondContact O-N 3.05Å; C841-S843 VanDerWaalsContact C-N 3.3Å; C841-S843 PolarHBondContact O-N 2.95Å; C841-A844 WeakPolarHBondContact O-CB 3.5Å; C841-A844 PolarHBondContact O-N 2.84Å; C841-V845 WeakPolarHBondContact O-CG2 3.11Å; C841-V845 PolarHBondContact O-N 3.49Å; C841-V845 VanDerWaalsContact O-N 3.13Å; C841-T890 HydrophobicContact CB-CG2 4Å
842	V	94.6	Very high	95.9	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.097	23%	0.23	C	C	.	.	H	α-helix	trans	-52	-48.1	-178.7	176.4	0	0	0	0	111.3	P838 A844 V845 Y846 D859 Y868 I870	P838-V842 PolarHBondContact O-N 3.06Å; V842-A844 VanDerWaalsContact C-N 3.28Å; V842-A844 PolarHBondContact O-N 3.49Å; V842-V845 WeakPolarHBondContact O-CB 3.47Å; V842-V845 PolarHBondContact O-N 2.98Å; V842-Y846 HydrophobicContact CG1-CD2 4.01Å; V842-Y846 HydrophobicContact CG1-CE2 3.7Å; V842-Y846 WeakPolarHBondContact O-CD2 3.37Å; V842-Y846 PolarHBondContact O-N 2.9Å; V842-D859 WeakPolarHBondContact CG1-OD2 3.31Å; V842-Y868 HydrophobicContact CG2-CD1 4.49Å; V842-Y868 HydrophobicContact CG2-CG 4.11Å; V842-I870 HydrophobicContact CB-CD1 4.24Å; V842-I870 HydrophobicContact CG1-CD1 3.88Å; V842-I870 HydrophobicContact CG1-CG1 4.45Å; V842-I870 HydrophobicContact CG2-CD1 4.19Å
843	S	94.9	Very high	95.7	Very high	85 Å²	85	43.9 Å²	43.9	59%	0.594	24%	0.239	S	C	*	.	H	α-helix	trans	-61.5	-33.1	179.6	65.9	0	0	0	0	114.1	C841 T847	C841-S843 VanDerWaalsContact C-N 3.3Å; C841-S843 PolarHBondContact O-N 2.95Å; S843-T847 PolarHBondContact O-N 3.5Å; S843-T847 VanDerWaalsContact O-N 3.14Å; S843-T847 PolarHBondContact O-OG1 3.05Å
844	A	95.8	Very high	95.6	Very high	24 Å²	24	44.6 Å²	44.6	20%	0.198	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-38.2	175.3	0	0	0	0	0	111	C841 V842 Y846 T847 V848 T890	C841-A844 WeakPolarHBondContact O-CB 3.5Å; C841-A844 PolarHBondContact O-N 2.84Å; V842-A844 VanDerWaalsContact C-N 3.28Å; V842-A844 PolarHBondContact O-N 3.49Å; A844-Y846 PolarHBondContact O-N 3.28Å; A844-T847 WeakPolarHBondContact O-CB 3.26Å; A844-T847 PolarHBondContact O-N 3.17Å; A844-T847 VanDerWaalsContact O-N 3.15Å; A844-V848 WeakPolarHBondContact O-CG2 3.45Å; A844-V848 PolarHBondContact O-N 3.42Å; A844-T890 HydrophobicContact CB-CG2 3.97Å
845	V	96.3	Very high	95.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-48.6	175.4	-177.7	0	0	0	0	110.8	V835 A837 C841 V842 T847 V848 L849 I870 L886 A894	V835-V845 HydrophobicContact CB-CG1 4.2Å; V835-V845 HydrophobicContact CG1-CG1 4.04Å; V835-V845 HydrophobicContact CG1-CG2 3.96Å; V835-V845 HydrophobicContact CG2-CG1 3.98Å; A837-V845 HydrophobicContact CB-CG2 4.06Å; C841-V845 WeakPolarHBondContact O-CG2 3.11Å; C841-V845 PolarHBondContact O-N 3.49Å; C841-V845 VanDerWaalsContact O-N 3.13Å; V842-V845 WeakPolarHBondContact O-CB 3.47Å; V842-V845 PolarHBondContact O-N 2.98Å; V845-T847 VanDerWaalsContact C-N 3.27Å; V845-T847 PolarHBondContact O-N 3.12Å; V845-V848 PolarHBondContact O-N 2.84Å; V845-L849 HydrophobicContact CG1-CD1 3.88Å; V845-L849 HydrophobicContact CG1-CG 4.49Å; V845-L849 WeakPolarHBondContact O-CB 3.46Å; V845-L849 WeakPolarHBondContact O-CG 3.27Å; V845-L849 PolarHBondContact O-N 2.95Å; V845-I870 HydrophobicContact CB-CD1 3.74Å; V845-I870 HydrophobicContact CG1-CD1 3.77Å; V845-I870 HydrophobicContact CG1-CG2 4.35Å; V845-I870 HydrophobicContact CG2-CD1 3.75Å; V845-L886 HydrophobicContact CB-CD1 4.15Å; V845-L886 HydrophobicContact CG1-CD1 4.23Å; V845-L886 HydrophobicContact CG2-CD1 3.9Å; V845-A894 HydrophobicContact CG2-CB 4.24Å
846	Y	95.9	Very high	95.4	Very high	92 Å²	92	51.6 Å²	51.6	36%	0.361	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-39.1	175.7	-82.6	-101.1	0	0	0	112.1	V842 A844 A850 V856 D859	V842-Y846 HydrophobicContact CG1-CD2 4.01Å; V842-Y846 HydrophobicContact CG1-CE2 3.7Å; V842-Y846 WeakPolarHBondContact O-CD2 3.37Å; V842-Y846 PolarHBondContact O-N 2.9Å; A844-Y846 PolarHBondContact O-N 3.28Å; Y846-A850 VanDerWaalsContact O-CB 3.22Å; Y846-A850 WeakPolarHBondContact O-CB 3.42Å; Y846-A850 PolarHBondContact O-N 2.96Å; Y846-V856 HydrophobicContact CD1-CB 4.37Å; Y846-V856 HydrophobicContact CD1-CG2 3.74Å; Y846-V856 HydrophobicContact CE1-CB 3.74Å; Y846-V856 HydrophobicContact CE1-CG1 3.96Å; Y846-V856 HydrophobicContact CE1-CG2 3.58Å; Y846-V856 HydrophobicContact CE2-CG2 4.47Å; Y846-V856 HydrophobicContact CG-CG2 4.27Å; Y846-D859 WeakPolarHBondContact OH-CB 3.42Å; Y846-D859 PolarHBondContact OH-OD2 2.8Å
847	T	95.9	Very high	95.3	Very high	72 Å²	72	53.6 Å²	53.6	44%	0.442	30%	0.295	S	S	.	.	H	α-helix	trans	-65.3	-42.9	179.9	-57.5	0	0	0	0	111.7	S843 A844 V845 R851	S843-T847 PolarHBondContact O-N 3.5Å; S843-T847 VanDerWaalsContact O-N 3.14Å; S843-T847 PolarHBondContact O-OG1 3.05Å; A844-T847 WeakPolarHBondContact O-CB 3.26Å; A844-T847 PolarHBondContact O-N 3.17Å; A844-T847 VanDerWaalsContact O-N 3.15Å; V845-T847 VanDerWaalsContact C-N 3.27Å; V845-T847 PolarHBondContact O-N 3.12Å; T847-R851 WeakPolarHBondContact O-CG 3.46Å; T847-R851 PolarHBondContact O-N 3Å
848	V	96.8	Very high	95.3	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.036	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-44.1	178.2	178.5	0	0	0	0	110.7	A844 V845 A850 R851 F882 D885 L886 H889	A844-V848 WeakPolarHBondContact O-CG2 3.45Å; A844-V848 PolarHBondContact O-N 3.42Å; V845-V848 PolarHBondContact O-N 2.84Å; V848-A850 PolarHBondContact O-N 3.36Å; V848-R851 PolarHBondContact O-N 3.28Å; V848-F882 HydrophobicContact CG1-CD2 3.9Å; V848-F882 HydrophobicContact CG1-CE2 3.79Å; V848-D885 HydrophobicContact CG1-CB 4.3Å; V848-L886 HydrophobicContact CB-CD1 4.29Å; V848-L886 HydrophobicContact CG2-CD1 4.3Å; V848-H889 HydrophobicContact CG2-CB 4.16Å
849	L	95.8	Very high	95.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-43.5	176.8	-76.5	169	0	0	0	112.3	V845 R851 R852 R853 G854 V856 A872 I874 F882	V845-L849 HydrophobicContact CG1-CD1 3.88Å; V845-L849 HydrophobicContact CG1-CG 4.49Å; V845-L849 WeakPolarHBondContact O-CB 3.46Å; V845-L849 WeakPolarHBondContact O-CG 3.27Å; V845-L849 PolarHBondContact O-N 2.95Å; L849-R851 PolarHBondContact O-N 3.11Å; L849-R852 CarbonylContact O-C 3.57Å; L849-R852 PolarHBondContact O-N 3.03Å; L849-R853 PolarHBondContact O-N 3.31Å; L849-G854 WeakPolarHBondContact O-CA 3.16Å; L849-G854 PolarHBondContact O-N 2.91Å; L849-V856 HydrophobicContact CD1-CG2 3.66Å; L849-A872 HydrophobicContact CD1-CB 3.69Å; L849-A872 HydrophobicContact CD2-CB 4.19Å; L849-I874 HydrophobicContact CD2-CD1 4.39Å; L849-F882 HydrophobicContact CD2-CD2 4.49Å; L849-F882 HydrophobicContact CD2-CE2 3.53Å; L849-F882 HydrophobicContact CD2-CZ 3.57Å; L849-F882 HydrophobicContact CG-CE2 3.89Å; L849-F882 HydrophobicContact CG-CZ 4.01Å
850	A	94.8	Very high	95.3	Very high	76 Å²	76	58.8 Å²	58.8	63%	0.628	31%	0.313	S	S	*	.	H	α-helix	trans	-62	-29.3	-179	0	0	0	0	0	113.2	Y846 V848 R852	Y846-A850 VanDerWaalsContact O-CB 3.22Å; Y846-A850 WeakPolarHBondContact O-CB 3.42Å; Y846-A850 PolarHBondContact O-N 2.96Å; V848-A850 PolarHBondContact O-N 3.36Å; A850-R852 PolarHBondContact O-N 3.17Å
851	R	94.8	Very high	95.3	Very high	178 Å²	178	56.8 Å²	56.8	67%	0.672	31%	0.307	S	S	*	.	H	α-helix	trans	-71.1	-20.2	174.8	-70.5	176.3	-179.9	176.8	0.5	113.3	T847 V848 L849	T847-R851 WeakPolarHBondContact O-CG 3.46Å; T847-R851 PolarHBondContact O-N 3Å; V848-R851 PolarHBondContact O-N 3.28Å; L849-R851 PolarHBondContact O-N 3.11Å
852	R	95.3	Very high	95.2	Very high	50 Å²	50	56.6 Å²	56.6	19%	0.189	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	29.7	-171.6	-69.9	172.5	172.4	-86	5.7	112.2	L849 A850 G854 I874 D878 F880 D885	L849-R852 CarbonylContact O-C 3.57Å; L849-R852 PolarHBondContact O-N 3.03Å; A850-R852 PolarHBondContact O-N 3.17Å; R852-G854 PolarHBondContact O-N 3.34Å; R852-I874 HydrophobicContact CB-CD1 3.87Å; R852-I874 HydrophobicContact CB-CG1 4.39Å; R852-D878 HydrophobicContact CB-CB 4.05Å; R852-D878 WeakPolarHBondContact CD-O 3.47Å; R852-D878 PolarHBondContact NH1-O 3.21Å; R852-F880 PolarHBondContact NH1-O 2.93Å; R852-F880 PolarHBondContact NH2-O 3.01Å; R852-F880 VanDerWaalsContact NH2-O 3.11Å; R852-D885 IonicContact CZ-OD2 3.31Å; R852-D885 IonicContact NE-OD2 3.26Å; R852-D885 IonicContact NH2-OD2 2.74Å; R852-D885 PolarHBondContact NH2-OD2 2.98Å
853	R	94.3	Very high	95.1	Very high	76 Å²	76	59.1 Å²	59.1	29%	0.287	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	21.1	-176.4	-55.5	-173.8	-66.5	134.5	-8.4	114.3	E828 L849 P875 D878	E828-R853 IonicContact OE1-CZ 2.7Å; E828-R853 IonicContact OE1-NH1 3.88Å; E828-R853 PolarHBondContact OE1-NH1 3.41Å; E828-R853 IonicContact OE1-NH2 3.61Å; E828-R853 IonicContact OE2-CZ 3.52Å; E828-R853 IonicContact OE2-NH1 2.76Å; E828-R853 PolarHBondContact OE2-NH1 2.77Å; E828-R853 IonicContact OE2-NH2 3.52Å; E828-R853 PolarHBondContact OE2-NH2 2.83Å; L849-R853 PolarHBondContact O-N 3.31Å; R853-P875 HydrophobicContact CB-CG 4.1Å; R853-P875 VanDerWaalsContact CZ-CG 3.4Å; R853-P875 VanDerWaalsContact NH2-CB 3.29Å; R853-P875 VanDerWaalsContact NH2-CG 3.32Å; R853-D878 IonicContact CZ-OD2 3.64Å; R853-D878 IonicContact NE-OD2 2.63Å; R853-D878 PolarHBondContact NE-OD2 3.04Å; R853-D878 IonicContact NH2-OD2 2.97Å; R853-D878 PolarHBondContact NH2-OD2 3.47Å
854	G	93.7	Very high	94.8	Very high	16 Å²	16	57.1 Å²	57.1	17%	0.165	32%	0.315	C	S	.	.			trans	-74	137.4	-178.7	0	0	0	0	0	111.8	L849 R852 F873	L849-G854 WeakPolarHBondContact O-CA 3.16Å; L849-G854 PolarHBondContact O-N 2.91Å; R852-G854 PolarHBondContact O-N 3.34Å; G854-F873 CarbonylContact C-O 3.55Å; G854-F873 WeakPolarHBondContact CA-O 3.4Å
855	H	93.8	Very high	94.6	Very high	127 Å²	127	57.1 Å²	57.1	59%	0.588	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.8	176.2	177	-79.7	0	0	0	110.3	T857 A872 F873	H855-T857 PolarHBondContact O-N 2.98Å; H855-A872 CarbonylContact O-C 3.46Å; H855-A872 VanDerWaalsContact O-CA 3.32Å; H855-A872 WeakPolarHBondContact O-CA 3.35Å; H855-F873 PolarHBondContact N-O 3.33Å; H855-F873 PolarHBondContact O-N 3.35Å
856	V	96.5	Very high	94.5	Very high	27 Å²	27	61.6 Å²	61.6	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.3	175.9	-179.7	0	0	0	0	109.7	Y846 L849 I870 A872	Y846-V856 HydrophobicContact CD1-CB 4.37Å; Y846-V856 HydrophobicContact CD1-CG2 3.74Å; Y846-V856 HydrophobicContact CE1-CB 3.74Å; Y846-V856 HydrophobicContact CE1-CG1 3.96Å; Y846-V856 HydrophobicContact CE1-CG2 3.58Å; Y846-V856 HydrophobicContact CE2-CG2 4.47Å; Y846-V856 HydrophobicContact CG-CG2 4.27Å; L849-V856 HydrophobicContact CD1-CG2 3.66Å; V856-I870 HydrophobicContact CG1-CG2 3.72Å; V856-I870 HydrophobicContact CG2-CG2 4.2Å; V856-A872 HydrophobicContact CG2-CB 4.29Å
857	T	95.4	Very high	94.5	Very high	63 Å²	63	59 Å²	59	39%	0.387	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-40.4	179.4	51.1	0	0	0	0	112.2	H855 K871 F873	H855-T857 PolarHBondContact O-N 2.98Å; T857-K871 PolarHBondContact N-O 2.95Å; T857-K871 VanDerWaalsContact OG1-C 3.27Å; T857-K871 PolarHBondContact OG1-O 2.94Å; T857-F873 HydrophobicContact CG2-CD2 3.38Å; T857-F873 HydrophobicContact CG2-CE2 3.45Å; T857-F873 VanDerWaalsContact CG2-CE2 3.45Å; T857-F873 HydrophobicContact CG2-CG 4.43Å
858	Q	95.3	Very high	94.5	Very high	102 Å²	102	59.2 Å²	59.2	48%	0.477	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	140.1	-177.9	-175.3	-179.3	3.7	0	0	110.3	A860 I870 K871	Q858-A860 HydrophobicContact CG-CB 4.28Å; Q858-I870 WeakPolarHBondContact O-CA 3.22Å; Q858-K871 HydrophobicContact CB-CB 4.2Å; Q858-K871 PolarHBondContact N-O 3.18Å; Q858-K871 PolarHBondContact O-N 3.33Å
859	D	93.9	Very high	94.5	Very high	63 Å²	63	59.9 Å²	59.9	34%	0.337	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112	170.2	177.7	-8.5	0	0	0	106.7	V842 Y846 Y868	V842-D859 WeakPolarHBondContact CG1-OD2 3.31Å; Y846-D859 WeakPolarHBondContact OH-CB 3.42Å; Y846-D859 PolarHBondContact OH-OD2 2.8Å; D859-Y868 WeakPolarHBondContact OD1-CD1 3.3Å
860	A	95.3	Very high	94.5	Very high	27 Å²	27	59.9 Å²	59.9	22%	0.223	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.8	-176.7	0	0	0	0	0	111.2	Q858 T869	Q858-A860 HydrophobicContact CG-CB 4.28Å; A860-T869 PolarHBondContact N-O 3.36Å; A860-T869 VanDerWaalsContact N-O 3.09Å; A860-T869 PolarHBondContact O-N 2.96Å
861	P	95.2	Very high	94.6	Very high	78 Å²	78	58.4 Å²	58.4	51%	0.506	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.5	171.8	28.8	-33.6	0	0	0	110.1	P863 Y868	P861-P863 VanDerWaalsContact O-CD 3.28Å; P861-P863 WeakPolarHBondContact O-CD 3.49Å; P861-Y868 HydrophobicContact CB-CD1 4.18Å; P861-Y868 HydrophobicContact CB-CE1 3.85Å; P861-Y868 HydrophobicContact CB-CE2 4.33Å; P861-Y868 HydrophobicContact CG-CE1 4.42Å
862	I	94.1	Very high	94.8	Very high	10 Å²	10	50 Å²	50	5%	0.051	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-73	118.8	175.2	-60.5	-176	0	0	0	108.5	E232 M235 G864 S865 L867 T869	E232-I862 WeakPolarHBondContact O-CG2 3.27Å; M235-I862 HydrophobicContact CE-CD1 3.7Å; I862-G864 PolarHBondContact O-N 3.31Å; I862-S865 PolarHBondContact O-N 3.23Å; I862-S865 VanDerWaalsContact O-O 3.05Å; I862-L867 WeakPolarHBondContact CB-O 3.41Å; I862-L867 HydrophobicContact CD1-CB 3.92Å; I862-L867 PolarHBondContact N-O 2.84Å; I862-T869 VanDerWaalsContact CD1-OG1 3.25Å; I862-T869 WeakPolarHBondContact CD1-OG1 3.08Å; I862-T869 WeakPolarHBondContact CG1-OG1 3.47Å
863	P	92.4	Very high	94.9	Very high	69 Å²	69	49.7 Å²	49.7	45%	0.448	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	125.3	-177.1	-27.2	38.3	0	0	0	111.2	K276 H279 P861 S865	K276-P863 WeakPolarHBondContact CD-O 3.35Å; K276-P863 VanDerWaalsContact CE-O 3.26Å; K276-P863 WeakPolarHBondContact CE-O 3.26Å; K276-P863 PolarHBondContact NZ-O 3.48Å; H279-P863 WeakPolarHBondContact NE2-CG 3.11Å; P861-P863 VanDerWaalsContact O-CD 3.28Å; P861-P863 WeakPolarHBondContact O-CD 3.49Å; P863-S865 VanDerWaalsContact C-N 3.32Å; P863-S865 PolarHBondContact O-N 3.43Å
864	G	88.7	Confident	95	Very high	43 Å²	43	46.1 Å²	46.1	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	8.8	-179.7	0	0	0	0	0	115.6	L266 I862	L266-G864 WeakPolarHBondContact CD1-O 3.39Å; I862-G864 PolarHBondContact O-N 3.31Å
865	S	92.7	Very high	95.2	Very high	24 Å²	24	45.3 Å²	45.3	17%	0.168	26%	0.258	C	S	.	.	S	Bend	trans	-129.5	151.5	174.8	173.3	0	0	0	0	110.2	I862 P863 L867	I862-S865 PolarHBondContact O-N 3.23Å; I862-S865 VanDerWaalsContact O-O 3.05Å; P863-S865 VanDerWaalsContact C-N 3.32Å; P863-S865 PolarHBondContact O-N 3.43Å; S865-L867 PolarHBondContact O-N 3.24Å; S865-L867 PolarHBondContact OG-N 2.73Å
866	P	93.6	Very high	95.3	Very high	93 Å²	93	39.3 Å²	39.3	60%	0.604	23%	0.23	S	C	*	.	S	Bend	trans	-75.1	-4.6	174.4	32	-37.4	0	0	0	113.9
867	L	95.3	Very high	95.2	Very high	39 Å²	39	39.8 Å²	39.8	20%	0.204	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	158.8	-178.3	-60.2	178.2	0	0	0	112.1	P838 I862 S865	P838-L867 HydrophobicContact CB-CD2 4.1Å; P838-L867 HydrophobicContact CG-CD2 3.97Å; I862-L867 WeakPolarHBondContact CB-O 3.41Å; I862-L867 HydrophobicContact CD1-CB 3.92Å; I862-L867 PolarHBondContact N-O 2.84Å; S865-L867 PolarHBondContact O-N 3.24Å; S865-L867 PolarHBondContact OG-N 2.73Å
868	Y	96.3	Very high	95.2	Very high	76 Å²	76	38.9 Å²	38.9	30%	0.298	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.5	173.8	-78.1	-110.8	0	0	0	109.3	Q836 A837 A839 V842 D859 P861	Q836-Y868 WeakPolarHBondContact CA-O 2.94Å; A837-Y868 PolarHBondContact N-O 3.18Å; A837-Y868 PolarHBondContact O-N 2.75Å; A839-Y868 HydrophobicContact CB-CD2 3.98Å; A839-Y868 HydrophobicContact CB-CE2 3.61Å; V842-Y868 HydrophobicContact CG2-CD1 4.49Å; V842-Y868 HydrophobicContact CG2-CG 4.11Å; D859-Y868 WeakPolarHBondContact OD1-CD1 3.3Å; P861-Y868 HydrophobicContact CB-CD1 4.18Å; P861-Y868 HydrophobicContact CB-CE1 3.85Å; P861-Y868 HydrophobicContact CB-CE2 4.33Å; P861-Y868 HydrophobicContact CG-CE1 4.42Å
869	T	96.6	Very high	95.2	Very high	20 Å²	20	34.3 Å²	34.3	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.9	169.4	-60.3	0	0	0	0	108.6	E834 V835 A860 I862 K871	E834-T869 HydrophobicContact CG-CG2 3.5Å; V835-T869 CarbonylContact O-C 3.57Å; V835-T869 WeakPolarHBondContact O-CA 3.02Å; A860-T869 PolarHBondContact N-O 3.36Å; A860-T869 VanDerWaalsContact N-O 3.09Å; A860-T869 PolarHBondContact O-N 2.96Å; I862-T869 VanDerWaalsContact CD1-OG1 3.25Å; I862-T869 WeakPolarHBondContact CD1-OG1 3.08Å; I862-T869 WeakPolarHBondContact CG1-OG1 3.47Å; T869-K871 HydrophobicContact CG2-CG 4.19Å
870	I	97.1	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.8	176.5	-54.9	159.1	0	0	0	107.1	V835 A837 V842 V845 V856 Q858	V835-I870 HydrophobicContact CB-CB 4.24Å; V835-I870 PolarHBondContact N-O 2.69Å; V835-I870 PolarHBondContact O-N 3.46Å; A837-I870 HydrophobicContact CB-CD1 4.47Å; V842-I870 HydrophobicContact CB-CD1 4.24Å; V842-I870 HydrophobicContact CG1-CD1 3.88Å; V842-I870 HydrophobicContact CG1-CG1 4.45Å; V842-I870 HydrophobicContact CG2-CD1 4.19Å; V845-I870 HydrophobicContact CB-CD1 3.74Å; V845-I870 HydrophobicContact CG1-CD1 3.77Å; V845-I870 HydrophobicContact CG1-CG2 4.35Å; V845-I870 HydrophobicContact CG2-CD1 3.75Å; V856-I870 HydrophobicContact CG1-CG2 3.72Å; V856-I870 HydrophobicContact CG2-CG2 4.2Å; Q858-I870 WeakPolarHBondContact O-CA 3.22Å
871	K	97.4	Very high	95.3	Very high	46 Å²	46	32.9 Å²	32.9	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.2	175.9	-65.9	177.9	164.9	-165.6	0	108.2	E239 F832 V833 E834 T857 Q858 T869	E239-K871 IonicContact OE2-NZ 3.51Å; F832-K871 HydrophobicContact CE1-CG 4.46Å; F832-K871 HydrophobicContact CE2-CB 3.83Å; F832-K871 HydrophobicContact CE2-CG 4.31Å; F832-K871 HydrophobicContact CZ-CB 3.66Å; F832-K871 HydrophobicContact CZ-CD 3.75Å; F832-K871 HydrophobicContact CZ-CG 3.62Å; V833-K871 CarbonylContact O-C 3.48Å; V833-K871 WeakPolarHBondContact O-CA 3.39Å; E834-K871 HydrophobicContact CG-CG 4.45Å; E834-K871 WeakPolarHBondContact OE2-CE 3.34Å; T857-K871 PolarHBondContact N-O 2.95Å; T857-K871 VanDerWaalsContact OG1-C 3.27Å; T857-K871 PolarHBondContact OG1-O 2.94Å; Q858-K871 HydrophobicContact CB-CB 4.2Å; Q858-K871 PolarHBondContact N-O 3.18Å; Q858-K871 PolarHBondContact O-N 3.33Å; T869-K871 HydrophobicContact CG2-CG 4.19Å
872	A	97.5	Very high	95.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	162.2	-177.1	0	0	0	0	0	111.7	V833 L849 H855 V856	V833-A872 PolarHBondContact N-O 3.28Å; V833-A872 PolarHBondContact O-N 3.43Å; L849-A872 HydrophobicContact CD1-CB 3.69Å; L849-A872 HydrophobicContact CD2-CB 4.19Å; H855-A872 CarbonylContact O-C 3.46Å; H855-A872 VanDerWaalsContact O-CA 3.32Å; H855-A872 WeakPolarHBondContact O-CA 3.35Å; V856-A872 HydrophobicContact CG2-CB 4.29Å
873	F	97.9	Very high	95.3	Very high	45 Å²	45	31.1 Å²	31.1	20%	0.197	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.5	166.7	-69.8	-62.1	0	0	0	109.9	Y830 Y831 F832 G854 H855 T857 H901 H902	Y830-F873 HydrophobicContact CD1-CB 4.15Å; Y831-F873 WeakPolarHBondContact O-CA 3.18Å; F832-F873 HydrophobicContact CB-CD1 4.19Å; F832-F873 HydrophobicContact CB-CE1 3.93Å; F832-F873 HydrophobicContact CD2-CD1 4.03Å; F832-F873 AromaticContact CD2-CE1 3.56Å; F832-F873 HydrophobicContact CD2-CE1 3.56Å; F832-F873 HydrophobicContact CD2-CZ 4Å; F832-F873 HydrophobicContact CG-CE1 4.23Å; G854-F873 CarbonylContact C-O 3.55Å; G854-F873 WeakPolarHBondContact CA-O 3.4Å; H855-F873 PolarHBondContact N-O 3.33Å; H855-F873 PolarHBondContact O-N 3.35Å; T857-F873 HydrophobicContact CG2-CD2 3.38Å; T857-F873 HydrophobicContact CG2-CE2 3.45Å; T857-F873 VanDerWaalsContact CG2-CE2 3.45Å; T857-F873 HydrophobicContact CG2-CG 4.43Å; F873-H901 HydrophobicContact CE1-CB 4.1Å; F873-H901 AromaticContact CE1-CD2 3.85Å; F873-H901 AromaticContact CE1-CG 3.69Å; F873-H901 AromaticContact CE1-ND1 3.92Å; F873-H902 AromaticContact CD1-CE1 3.69Å; F873-H902 AromaticContact CE1-CE1 3.68Å; F873-H902 AromaticContact CE1-ND1 3.8Å
874	I	97.1	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.6	175	-165	170.7	0	0	0	108.9	Y830 Y831 V833 L849 R852 A876 D878 F882	Y830-I874 CarbonylContact C-O 3.21Å; Y830-I874 WeakPolarHBondContact CA-O 3.49Å; Y831-I874 PolarHBondContact N-O 3Å; Y831-I874 PolarHBondContact O-N 3.43Å; V833-I874 HydrophobicContact CG2-CB 4.24Å; V833-I874 HydrophobicContact CG2-CG2 3.4Å; V833-I874 VanDerWaalsContact CG2-CG2 3.4Å; L849-I874 HydrophobicContact CD2-CD1 4.39Å; R852-I874 HydrophobicContact CB-CD1 3.87Å; R852-I874 HydrophobicContact CB-CG1 4.39Å; I874-A876 PolarHBondContact O-N 3.13Å; I874-D878 HydrophobicContact CG1-CB 4.47Å; I874-F882 HydrophobicContact CD1-CB 4.34Å; I874-F882 HydrophobicContact CD1-CD2 3.89Å; I874-F882 HydrophobicContact CD1-CE2 4.41Å; I874-F882 HydrophobicContact CD1-CG 4.04Å
875	P	97	Very high	95.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	133.9	167.5	-16.7	27.4	0	0	0	109.6	Y830 R853 I877 D878 S879	Y830-P875 HydrophobicContact CD1-CG 4.4Å; Y830-P875 HydrophobicContact CE1-CB 4.33Å; Y830-P875 HydrophobicContact CE1-CG 3.68Å; Y830-P875 HydrophobicContact CE2-CB 4.41Å; Y830-P875 HydrophobicContact CE2-CG 4.39Å; R853-P875 HydrophobicContact CB-CG 4.1Å; R853-P875 VanDerWaalsContact CZ-CG 3.4Å; R853-P875 VanDerWaalsContact NH2-CB 3.29Å; R853-P875 VanDerWaalsContact NH2-CG 3.32Å; P875-I877 HydrophobicContact CB-CG2 4.25Å; P875-I877 PolarHBondContact O-N 3.21Å; P875-D878 HydrophobicContact CB-CB 4.32Å; P875-D878 HydrophobicContact CG-CB 4.45Å; P875-D878 CarbonylContact O-C 3.57Å; P875-D878 PolarHBondContact O-N 3.49Å; P875-S879 PolarHBondContact O-N 3.37Å
876	A	96.1	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.7	-30.3	-175.6	0	0	0	0	0	112.2	I587 V659 P829 Y831 I874 D878 S879	I587-A876 HydrophobicContact CD1-CB 4.24Å; V659-A876 HydrophobicContact CG1-CB 3.85Å; P829-A876 HydrophobicContact CB-CB 4.39Å; P829-A876 HydrophobicContact CG-CB 4.03Å; P829-A876 WeakPolarHBondContact O-CB 3.44Å; P829-A876 PolarHBondContact O-N 2.92Å; Y831-A876 HydrophobicContact CD1-CB 3.76Å; Y831-A876 HydrophobicContact CD2-CB 4.17Å; Y831-A876 HydrophobicContact CE1-CB 3.73Å; Y831-A876 HydrophobicContact CE2-CB 4.11Å; Y831-A876 HydrophobicContact CG-CB 4.03Å; I874-A876 PolarHBondContact O-N 3.13Å; A876-D878 VanDerWaalsContact C-N 3.27Å; A876-D878 PolarHBondContact O-N 3.4Å; A876-S879 WeakPolarHBondContact O-CB 3.45Å; A876-S879 PolarHBondContact O-N 3.39Å; A876-S879 VanDerWaalsContact O-N 3.09Å; A876-S879 PolarHBondContact O-OG 2.84Å
877	I	95	Very high	96	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.195	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-63.9	-32.6	173.7	-162.2	170.1	0	0	0	112.7	V659 P875 S879 F880 F932	V659-I877 HydrophobicContact CG1-CB 4.19Å; V659-I877 HydrophobicContact CG2-CB 4.19Å; P875-I877 HydrophobicContact CB-CG2 4.25Å; P875-I877 PolarHBondContact O-N 3.21Å; I877-S879 VanDerWaalsContact C-N 3.32Å; I877-F880 HydrophobicContact CG1-CE2 4.27Å; I877-F880 WeakPolarHBondContact O-CD2 3.35Å; I877-F932 HydrophobicContact CD1-CD1 4.27Å; I877-F932 HydrophobicContact CD1-CE1 3.57Å; I877-F932 HydrophobicContact CD1-CZ 3.77Å; I877-F932 HydrophobicContact CG2-CZ 4.17Å
878	D	95.3	Very high	96	Very high	43 Å²	43	35.6 Å²	35.6	23%	0.23	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-90.6	-0.6	176.7	-64	-37.3	0	0	0	112	R852 R853 I874 P875 A876 F880	R852-D878 HydrophobicContact CB-CB 4.05Å; R852-D878 WeakPolarHBondContact CD-O 3.47Å; R852-D878 PolarHBondContact NH1-O 3.21Å; R853-D878 IonicContact CZ-OD2 3.64Å; R853-D878 IonicContact NE-OD2 2.63Å; R853-D878 PolarHBondContact NE-OD2 3.04Å; R853-D878 IonicContact NH2-OD2 2.97Å; R853-D878 PolarHBondContact NH2-OD2 3.47Å; I874-D878 HydrophobicContact CG1-CB 4.47Å; P875-D878 HydrophobicContact CB-CB 4.32Å; P875-D878 HydrophobicContact CG-CB 4.45Å; P875-D878 CarbonylContact O-C 3.57Å; P875-D878 PolarHBondContact O-N 3.49Å; A876-D878 VanDerWaalsContact C-N 3.27Å; A876-D878 PolarHBondContact O-N 3.4Å; D878-F880 VanDerWaalsContact C-N 3.31Å
879	S	95.8	Very high	95.9	Very high	7 Å²	7	37 Å²	37	5%	0.049	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-80.5	-13	176.3	78.7	0	0	0	0	113	P875 A876 I877 G881 F882	P875-S879 PolarHBondContact O-N 3.37Å; A876-S879 WeakPolarHBondContact O-CB 3.45Å; A876-S879 PolarHBondContact O-N 3.39Å; A876-S879 VanDerWaalsContact O-N 3.09Å; A876-S879 PolarHBondContact O-OG 2.84Å; I877-S879 VanDerWaalsContact C-N 3.32Å; S879-G881 PolarHBondContact O-N 2.94Å; S879-F882 WeakPolarHBondContact O-CB 3.22Å; S879-F882 PolarHBondContact O-N 3.09Å
880	F	95.5	Very high	95.8	Very high	38 Å²	38	36.3 Å²	36.3	17%	0.167	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	121.9	-176.2	-59.3	-49	0	0	0	112.2	I587 E633 P657 V659 R852 I877 D878 F882	I587-F880 HydrophobicContact CD1-CE1 3.62Å; I587-F880 HydrophobicContact CD1-CZ 3.87Å; I587-F880 HydrophobicContact CG1-CE1 4.14Å; I587-F880 HydrophobicContact CG2-CE1 3.64Å; I587-F880 HydrophobicContact CG2-CZ 3.95Å; E633-F880 HydrophobicContact CG-CD1 4.33Å; E633-F880 WeakPolarHBondContact OE1-CA 3.32Å; P657-F880 HydrophobicContact CB-CD1 4.05Å; P657-F880 HydrophobicContact CB-CD2 4.4Å; P657-F880 HydrophobicContact CB-CE1 3.62Å; P657-F880 HydrophobicContact CB-CE2 3.99Å; P657-F880 HydrophobicContact CB-CG 4.44Å; P657-F880 HydrophobicContact CB-CZ 3.59Å; P657-F880 WeakPolarHBondContact O-CE2 3.26Å; V659-F880 HydrophobicContact CG1-CZ 4.1Å; R852-F880 PolarHBondContact NH1-O 2.93Å; R852-F880 PolarHBondContact NH2-O 3.01Å; R852-F880 VanDerWaalsContact NH2-O 3.11Å; I877-F880 HydrophobicContact CG1-CE2 4.27Å; I877-F880 WeakPolarHBondContact O-CD2 3.35Å; D878-F880 VanDerWaalsContact C-N 3.31Å; F880-F882 PolarHBondContact O-N 3.06Å
881	G	94.7	Very high	95.7	Very high	21 Å²	21	44.9 Å²	44.9	22%	0.216	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	7.6	-173.2	0	0	0	0	0	114.7	E633 S879 E883 T884 D885	E633-G881 PolarHBondContact OE1-N 2.83Å; E633-G881 PolarHBondContact OE2-N 2.88Å; S879-G881 PolarHBondContact O-N 2.94Å; G881-E883 PolarHBondContact O-N 2.64Å; G881-T884 PolarHBondContact O-N 3Å; G881-D885 WeakPolarHBondContact O-CB 3.28Å; G881-D885 PolarHBondContact O-N 2.96Å
882	F	95.9	Very high	95.5	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.022	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-45.2	-177.4	170.3	-102	0	0	0	112.4	V833 V835 V848 L849 I874 S879 F880 T884 D885 L886 A896	V833-F882 HydrophobicContact CG1-CD1 4.43Å; V833-F882 HydrophobicContact CG1-CE1 3.57Å; V833-F882 HydrophobicContact CG1-CZ 4.2Å; V835-F882 HydrophobicContact CG2-CZ 4.47Å; V848-F882 HydrophobicContact CG1-CD2 3.9Å; V848-F882 HydrophobicContact CG1-CE2 3.79Å; L849-F882 HydrophobicContact CD2-CD2 4.49Å; L849-F882 HydrophobicContact CD2-CE2 3.53Å; L849-F882 HydrophobicContact CD2-CZ 3.57Å; L849-F882 HydrophobicContact CG-CE2 3.89Å; L849-F882 HydrophobicContact CG-CZ 4.01Å; I874-F882 HydrophobicContact CD1-CB 4.34Å; I874-F882 HydrophobicContact CD1-CD2 3.89Å; I874-F882 HydrophobicContact CD1-CE2 4.41Å; I874-F882 HydrophobicContact CD1-CG 4.04Å; S879-F882 WeakPolarHBondContact O-CB 3.22Å; S879-F882 PolarHBondContact O-N 3.09Å; F880-F882 PolarHBondContact O-N 3.06Å; F882-T884 VanDerWaalsContact C-N 3.34Å; F882-T884 PolarHBondContact O-N 3.27Å; F882-D885 PolarHBondContact O-N 3.5Å; F882-L886 HydrophobicContact CE1-CD2 4.21Å; F882-L886 HydrophobicContact CZ-CD2 4.05Å; F882-L886 VanDerWaalsContact O-CB 3.23Å; F882-L886 WeakPolarHBondContact O-CB 3.16Å; F882-L886 PolarHBondContact O-N 3.49Å; F882-A896 HydrophobicContact CD1-CB 4.35Å; F882-A896 HydrophobicContact CE1-CB 3.72Å
883	E	93.7	Very high	95.3	Very high	47 Å²	47	50.2 Å²	50.2	22%	0.22	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-46.7	178	-169.8	-158.3	143.2	0	0	110.6	G881 L886 R887 F895	G881-E883 PolarHBondContact O-N 2.64Å; E883-L886 PolarHBondContact O-N 3.3Å; E883-R887 HydrophobicContact CG-CG 4.49Å; E883-R887 WeakPolarHBondContact O-CB 3.25Å; E883-R887 VanDerWaalsContact O-CG 3.28Å; E883-R887 WeakPolarHBondContact O-CG 3.43Å; E883-R887 PolarHBondContact O-N 3.33Å; E883-R887 WeakPolarHBondContact OE1-CD 3.47Å; E883-R887 IonicContact OE1-CZ 2.6Å; E883-R887 IonicContact OE1-NH1 3.35Å; E883-R887 PolarHBondContact OE1-NH1 3.28Å; E883-F895 WeakPolarHBondContact OE1-CE2 3.12Å
884	T	94.8	Very high	95.2	Very high	83 Å²	83	48.1 Å²	48.1	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-46.3	-179.7	-57.8	0	0	0	0	111.8	G881 F882 L886 R887 T888	G881-T884 PolarHBondContact O-N 3Å; F882-T884 VanDerWaalsContact C-N 3.34Å; F882-T884 PolarHBondContact O-N 3.27Å; T884-L886 VanDerWaalsContact C-N 3.33Å; T884-L886 PolarHBondContact O-N 3.09Å; T884-R887 PolarHBondContact O-N 3.44Å; T884-T888 VanDerWaalsContact O-CB 3.29Å; T884-T888 WeakPolarHBondContact O-CB 3.3Å; T884-T888 PolarHBondContact O-N 3.24Å; T884-T888 PolarHBondContact O-OG1 3.38Å
885	D	95.7	Very high	95.1	Very high	65 Å²	65	50.6 Å²	50.6	35%	0.348	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-44.3	176.5	-83.5	-4.8	0	0	0	111.3	V848 R852 G881 F882 T888 H889	V848-D885 HydrophobicContact CG1-CB 4.3Å; R852-D885 IonicContact CZ-OD2 3.31Å; R852-D885 IonicContact NE-OD2 3.26Å; R852-D885 IonicContact NH2-OD2 2.74Å; R852-D885 PolarHBondContact NH2-OD2 2.98Å; G881-D885 WeakPolarHBondContact O-CB 3.28Å; G881-D885 PolarHBondContact O-N 2.96Å; F882-D885 PolarHBondContact O-N 3.5Å; D885-T888 PolarHBondContact O-N 3.36Å; D885-H889 WeakPolarHBondContact O-CB 3.48Å; D885-H889 PolarHBondContact O-CD2 3.46Å; D885-H889 PolarHBondContact O-N 3.03Å
886	L	95.9	Very high	95	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-47.4	-178.7	-175.5	67.1	0	0	0	111.4	V835 V845 V848 F882 E883 T884 T888 H889 T890 A894 A896	V835-L886 HydrophobicContact CG1-CD2 3.68Å; V835-L886 HydrophobicContact CG2-CD2 4.05Å; V845-L886 HydrophobicContact CB-CD1 4.15Å; V845-L886 HydrophobicContact CG1-CD1 4.23Å; V845-L886 HydrophobicContact CG2-CD1 3.9Å; V848-L886 HydrophobicContact CB-CD1 4.29Å; V848-L886 HydrophobicContact CG2-CD1 4.3Å; F882-L886 HydrophobicContact CE1-CD2 4.21Å; F882-L886 HydrophobicContact CZ-CD2 4.05Å; F882-L886 VanDerWaalsContact O-CB 3.23Å; F882-L886 WeakPolarHBondContact O-CB 3.16Å; F882-L886 PolarHBondContact O-N 3.49Å; E883-L886 PolarHBondContact O-N 3.3Å; T884-L886 VanDerWaalsContact C-N 3.33Å; T884-L886 PolarHBondContact O-N 3.09Å; L886-T888 VanDerWaalsContact C-N 3.33Å; L886-T888 PolarHBondContact O-N 3.38Å; L886-H889 PolarHBondContact O-N 3.3Å; L886-T890 HydrophobicContact CD1-CG2 4.38Å; L886-T890 WeakPolarHBondContact O-CB 3.3Å; L886-T890 WeakPolarHBondContact O-CG2 3.49Å; L886-T890 PolarHBondContact O-N 2.83Å; L886-T890 PolarHBondContact O-OG1 2.86Å; L886-A894 HydrophobicContact CD2-CB 4.25Å; L886-A894 HydrophobicContact CG-CB 4.13Å; L886-A896 HydrophobicContact CD2-CB 3.71Å
887	R	94.8	Very high	95	Very high	112 Å²	112	51 Å²	51	42%	0.423	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-41.3	176.9	-71	176.8	73.1	-179.4	-1.3	110.7	E883 T884 T890 Q891 G892 A894	E883-R887 HydrophobicContact CG-CG 4.49Å; E883-R887 WeakPolarHBondContact O-CB 3.25Å; E883-R887 VanDerWaalsContact O-CG 3.28Å; E883-R887 WeakPolarHBondContact O-CG 3.43Å; E883-R887 PolarHBondContact O-N 3.33Å; E883-R887 WeakPolarHBondContact OE1-CD 3.47Å; E883-R887 IonicContact OE1-CZ 2.6Å; E883-R887 IonicContact OE1-NH1 3.35Å; E883-R887 PolarHBondContact OE1-NH1 3.28Å; T884-R887 PolarHBondContact O-N 3.44Å; R887-T890 CarbonylContact O-C 3.54Å; R887-T890 PolarHBondContact O-N 3.23Å; R887-Q891 CarbonylContact O-C 3.55Å; R887-Q891 PolarHBondContact O-N 3.31Å; R887-G892 PolarHBondContact O-N 3.2Å; R887-A894 WeakPolarHBondContact CG-O 3.29Å
888	T	95.9	Very high	95	Very high	102 Å²	102	50.5 Å²	50.5	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-63.4	-46.8	177.2	-57.3	0	0	0	0	111.5	T884 D885 L886 T890 Q891	T884-T888 VanDerWaalsContact O-CB 3.29Å; T884-T888 WeakPolarHBondContact O-CB 3.3Å; T884-T888 PolarHBondContact O-N 3.24Å; T884-T888 PolarHBondContact O-OG1 3.38Å; D885-T888 PolarHBondContact O-N 3.36Å; L886-T888 VanDerWaalsContact C-N 3.33Å; L886-T888 PolarHBondContact O-N 3.38Å; T888-T890 VanDerWaalsContact C-N 3.27Å; T888-T890 PolarHBondContact O-N 3.33Å; T888-Q891 PolarHBondContact O-N 2.98Å
889	H	94.9	Very high	95.1	Very high	104 Å²	104	48.6 Å²	48.6	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-28	179.2	-96.5	-78.3	0	0	0	113.8	V848 D885 L886	V848-H889 HydrophobicContact CG2-CB 4.16Å; D885-H889 WeakPolarHBondContact O-CB 3.48Å; D885-H889 PolarHBondContact O-CD2 3.46Å; D885-H889 PolarHBondContact O-N 3.03Å; L886-H889 PolarHBondContact O-N 3.3Å
890	T	94.8	Very high	95.1	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.043	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	11.8	-178.2	61.8	0	0	0	0	113.2	C841 A844 L886 R887 T888 G892 Q893 A894	C841-T890 HydrophobicContact CB-CG2 4Å; A844-T890 HydrophobicContact CB-CG2 3.97Å; L886-T890 HydrophobicContact CD1-CG2 4.38Å; L886-T890 WeakPolarHBondContact O-CB 3.3Å; L886-T890 WeakPolarHBondContact O-CG2 3.49Å; L886-T890 PolarHBondContact O-N 2.83Å; L886-T890 PolarHBondContact O-OG1 2.86Å; R887-T890 CarbonylContact O-C 3.54Å; R887-T890 PolarHBondContact O-N 3.23Å; T888-T890 VanDerWaalsContact C-N 3.27Å; T888-T890 PolarHBondContact O-N 3.33Å; T890-G892 PolarHBondContact O-N 3.05Å; T890-Q893 VanDerWaalsContact O-CB 3.3Å; T890-Q893 WeakPolarHBondContact O-CB 3.31Å; T890-Q893 VanDerWaalsContact O-CG 3.32Å; T890-Q893 WeakPolarHBondContact O-CG 3.25Å; T890-Q893 PolarHBondContact O-N 3.49Å; T890-A894 HydrophobicContact CG2-CB 3.72Å; T890-A894 WeakPolarHBondContact OG1-CB 3.35Å; T890-A894 PolarHBondContact OG1-N 3.49Å; T890-A894 VanDerWaalsContact OG1-N 3.13Å
891	Q	94.4	Very high	95	Very high	180 Å²	180	52.4 Å²	52.4	84%	0.841	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	34.6	-178.2	-55.2	178.2	-12.4	0	0	113.3	R887 T888 Q893	R887-Q891 CarbonylContact O-C 3.55Å; R887-Q891 PolarHBondContact O-N 3.31Å; T888-Q891 PolarHBondContact O-N 2.98Å; Q891-Q893 VanDerWaalsContact C-N 3.29Å; Q891-Q893 PolarHBondContact O-N 3.2Å
892	G	93.1	Very high	95	Very high	42 Å²	42	53.3 Å²	53.3	43%	0.433	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	5.4	-180	0	0	0	0	0	114.8	R887 T890	R887-G892 PolarHBondContact O-N 3.2Å; T890-G892 PolarHBondContact O-N 3.05Å
893	Q	94.3	Very high	95	Very high	116 Å²	116	54.8 Å²	54.8	54%	0.542	28%	0.279	S	S	.	.			trans	-76.8	-38.2	-178.9	-64.1	-64.1	-52.5	0	0	113	P838 T890 Q891	P838-Q893 HydrophobicContact CG-CB 4.02Å; T890-Q893 VanDerWaalsContact O-CB 3.3Å; T890-Q893 WeakPolarHBondContact O-CB 3.31Å; T890-Q893 VanDerWaalsContact O-CG 3.32Å; T890-Q893 WeakPolarHBondContact O-CG 3.25Å; T890-Q893 PolarHBondContact O-N 3.49Å; Q891-Q893 VanDerWaalsContact C-N 3.29Å; Q891-Q893 PolarHBondContact O-N 3.2Å
894	A	95.5	Very high	95.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.			trans	-89.2	137.8	174.6	0	0	0	0	0	110.2	V835 Q836 A837 V845 L886 R887 T890	V835-A894 HydrophobicContact CG1-CB 4.16Å; Q836-A894 CarbonylContact O-C 3.53Å; Q836-A894 VanDerWaalsContact O-CA 3.3Å; Q836-A894 WeakPolarHBondContact O-CA 3.23Å; A837-A894 HydrophobicContact CB-CB 3.76Å; V845-A894 HydrophobicContact CG2-CB 4.24Å; L886-A894 HydrophobicContact CD2-CB 4.25Å; L886-A894 HydrophobicContact CG-CB 4.13Å; R887-A894 WeakPolarHBondContact CG-O 3.29Å; T890-A894 HydrophobicContact CG2-CB 3.72Å; T890-A894 WeakPolarHBondContact OG1-CB 3.35Å; T890-A894 PolarHBondContact OG1-N 3.49Å; T890-A894 VanDerWaalsContact OG1-N 3.13Å
895	F	94.7	Very high	95.2	Very high	53 Å²	53	55.9 Å²	55.9	23%	0.232	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.5	177.5	-178.3	-103.6	0	0	0	109.6	L137 V835 Q836 E883 L897	L137-F895 HydrophobicContact CD2-CE1 3.64Å; L137-F895 HydrophobicContact CD2-CZ 3.43Å; L137-F895 VanDerWaalsContact CD2-CZ 3.43Å; V835-F895 CarbonylContact C-O 3.45Å; V835-F895 VanDerWaalsContact CA-O 3.3Å; V835-F895 WeakPolarHBondContact CA-O 3.21Å; Q836-F895 PolarHBondContact N-O 3.17Å; Q836-F895 PolarHBondContact O-N 2.86Å; E883-F895 WeakPolarHBondContact OE1-CE2 3.12Å; F895-L897 HydrophobicContact CE1-CD1 4.34Å; F895-L897 HydrophobicContact CE1-CD2 3.57Å; F895-L897 HydrophobicContact CE1-CG 3.67Å; F895-L897 HydrophobicContact CZ-CD2 3.63Å; F895-L897 HydrophobicContact CZ-CG 4.25Å
896	A	95.2	Very high	95.2	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.7	-176.9	0	0	0	0	0	110.9	V833 E834 V835 F882 L886	V833-A896 HydrophobicContact CG1-CB 4.1Å; E834-A896 WeakPolarHBondContact O-CA 3.29Å; V835-A896 HydrophobicContact CG2-CB 3.87Å; F882-A896 HydrophobicContact CD1-CB 4.35Å; F882-A896 HydrophobicContact CE1-CB 3.72Å; L886-A896 HydrophobicContact CD2-CB 3.71Å
897	L	96.1	Very high	95.1	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.5	163.3	-67.2	-177.8	0	0	0	109.3	H136 L137 H207 V208 L236 V833 E834 F895	H136-L897 WeakPolarHBondContact NE2-CD1 3.29Å; L137-L897 HydrophobicContact CB-CD1 4.36Å; L137-L897 HydrophobicContact CD2-CD2 4.27Å; H207-L897 WeakPolarHBondContact NE2-CD2 3.44Å; V208-L897 HydrophobicContact CG1-CB 4.12Å; L236-L897 HydrophobicContact CD2-CB 3.9Å; V833-L897 WeakPolarHBondContact CA-O 3.48Å; E834-L897 PolarHBondContact N-O 3.08Å; E834-L897 PolarHBondContact O-N 3.33Å; F895-L897 HydrophobicContact CE1-CD1 4.34Å; F895-L897 HydrophobicContact CE1-CD2 3.57Å; F895-L897 HydrophobicContact CE1-CG 3.67Å; F895-L897 HydrophobicContact CZ-CD2 3.63Å; F895-L897 HydrophobicContact CZ-CG 4.25Å
898	S	95.3	Very high	95	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.203	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.4	179.1	58.4	0	0	0	0	110.6	V208 N209 F832	V208-S898 VanDerWaalsContact CG1-O 3.26Å; V208-S898 WeakPolarHBondContact CG1-O 3.48Å; N209-S898 PolarHBondContact OD1-O 3.1Å; F832-S898 WeakPolarHBondContact O-CA 3.37Å
899	V	95.7	Very high	94.9	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.4	176.5	65.3	0	0	0	0	111.2	V208 L236 R240 Y831 F832 H901	V208-V899 HydrophobicContact CG1-CB 4.19Å; V208-V899 HydrophobicContact CG2-CB 3.57Å; V208-V899 HydrophobicContact CG2-CG1 4.23Å; V208-V899 HydrophobicContact CG2-CG2 3.56Å; L236-V899 HydrophobicContact CD1-CG1 3.93Å; L236-V899 HydrophobicContact CD2-CG1 3.93Å; L236-V899 HydrophobicContact CG-CG1 4.35Å; R240-V899 VanDerWaalsContact CZ-CG2 3.48Å; Y831-V899 CarbonylContact C-O 3.47Å; Y831-V899 WeakPolarHBondContact CA-O 3.35Å; F832-V899 HydrophobicContact CB-CG1 4.31Å; F832-V899 PolarHBondContact N-O 3.46Å; F832-V899 PolarHBondContact O-N 3.19Å; V899-H901 PolarHBondContact O-N 3.25Å
900	F	96.1	Very high	94.8	Very high	25 Å²	25	43.4 Å²	43.4	11%	0.11	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	133.2	173	178.1	-103.4	0	0	0	111.8	A584 V586 P829 Y831 W903	A584-F900 HydrophobicContact CB-CD1 3.75Å; A584-F900 HydrophobicContact CB-CE1 3.95Å; A584-F900 HydrophobicContact CB-CG 4.26Å; V586-F900 HydrophobicContact CG1-CD2 4.42Å; V586-F900 HydrophobicContact CG2-CB 3.87Å; V586-F900 HydrophobicContact CG2-CD2 3.64Å; V586-F900 HydrophobicContact CG2-CE2 4.44Å; V586-F900 HydrophobicContact CG2-CG 3.82Å; P829-F900 HydrophobicContact CB-CD2 4.03Å; P829-F900 HydrophobicContact CB-CE2 3.78Å; Y831-F900 HydrophobicContact CD1-CB 4.16Å; Y831-F900 HydrophobicContact CE1-CB 3.88Å; Y831-F900 HydrophobicContact CE1-CD2 4.39Å; F900-W903 HydrophobicContact CE2-CD2 4.32Å; F900-W903 AromaticContact CE2-CE2 3.94Å; F900-W903 HydrophobicContact CE2-CZ2 4.26Å; F900-W903 AromaticContact CE2-NE1 3.99Å; F900-W903 AromaticContact CZ-CD1 3.67Å; F900-W903 HydrophobicContact CZ-CD2 4.34Å; F900-W903 AromaticContact CZ-CE2 3.74Å; F900-W903 HydrophobicContact CZ-CG 4.3Å; F900-W903 HydrophobicContact CZ-CZ2 4.27Å; F900-W903 AromaticContact CZ-NE1 3.33Å; F900-W903 VanDerWaalsContact CZ-NE1 3.33Å
901	H	94.4	Very high	94.6	Very high	100 Å²	100	44.1 Å²	44.1	46%	0.463	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	-55.1	179.3	-175.1	-68.3	0	0	0	112.7	Y830 F832 F873 V899	Y830-H901 PolarHBondContact O-N 3.03Å; Y830-H901 VanDerWaalsContact O-N 3.08Å; F832-H901 HydrophobicContact CB-CB 3.77Å; F873-H901 HydrophobicContact CE1-CB 4.1Å; F873-H901 AromaticContact CE1-CD2 3.85Å; F873-H901 AromaticContact CE1-CG 3.69Å; F873-H901 AromaticContact CE1-ND1 3.92Å; V899-H901 PolarHBondContact O-N 3.25Å
902	H	94.4	Very high	94.5	Very high	40 Å²	40	38.4 Å²	38.4	19%	0.185	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	171.4	-175.1	66.5	-75	0	0	0	112.2	Y830 F873	Y830-H902 PolarHBondContact N-O 3.19Å; Y830-H902 PolarHBondContact O-N 3.21Å; F873-H902 AromaticContact CD1-CE1 3.69Å; F873-H902 AromaticContact CE1-CE1 3.68Å; F873-H902 AromaticContact CE1-ND1 3.8Å
903	W	95.2	Very high	94.2	Very high	35 Å²	35	41.1 Å²	41.1	13%	0.133	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.4	173.5	-61.9	92.7	0	0	0	109.6	V586 T660 C662 R784 M827 P829 F900	V586-W903 HydrophobicContact CG1-CH2 3.53Å; V586-W903 HydrophobicContact CG1-CZ2 3.91Å; V586-W903 HydrophobicContact CG1-CZ3 4.34Å; T660-W903 WeakPolarHBondContact O-CH2 3.42Å; T660-W903 VanDerWaalsContact O-CZ3 3.29Å; T660-W903 WeakPolarHBondContact O-CZ3 3.48Å; C662-W903 HydrophobicContact CB-CD2 4.35Å; C662-W903 HydrophobicContact CB-CE3 4.08Å; C662-W903 HydrophobicContact CB-CZ3 4.26Å; C662-W903 VanDerWaalsContact SG-CZ2 3.6Å; R784-W903 VanDerWaalsContact NE-CD1 3.27Å; M827-W903 HydrophobicContact CB-CB 4.18Å; M827-W903 HydrophobicContact CB-CE3 4.37Å; M827-W903 HydrophobicContact CE-CB 3.62Å; M827-W903 WeakPolarHBondContact CE-O 3.34Å; M827-W903 HydrophobicContact SD-CB 4.19Å; P829-W903 HydrophobicContact CB-CD2 4.44Å; P829-W903 HydrophobicContact CB-CE3 3.88Å; P829-W903 HydrophobicContact CB-CH2 4Å; P829-W903 HydrophobicContact CB-CZ3 3.65Å; P829-W903 HydrophobicContact CG-CE3 4.42Å; P829-W903 HydrophobicContact CG-CH2 4.26Å; P829-W903 HydrophobicContact CG-CZ3 3.83Å; F900-W903 HydrophobicContact CE2-CD2 4.32Å; F900-W903 AromaticContact CE2-CE2 3.94Å; F900-W903 HydrophobicContact CE2-CZ2 4.26Å; F900-W903 AromaticContact CE2-NE1 3.99Å; F900-W903 AromaticContact CZ-CD1 3.67Å; F900-W903 HydrophobicContact CZ-CD2 4.34Å; F900-W903 AromaticContact CZ-CE2 3.74Å; F900-W903 HydrophobicContact CZ-CG 4.3Å; F900-W903 HydrophobicContact CZ-CZ2 4.27Å; F900-W903 AromaticContact CZ-NE1 3.33Å; F900-W903 VanDerWaalsContact CZ-NE1 3.33Å
904	Q	95.5	Very high	94.1	Very high	84 Å²	84	39.9 Å²	39.9	39%	0.393	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146	176.5	179.8	178.6	-27	0	0	110	M827 E828 Y830 V906	M827-Q904 CarbonylContact C-O 3.51Å; M827-Q904 WeakPolarHBondContact CA-O 3.21Å; E828-Q904 PolarHBondContact N-O 3.2Å; E828-Q904 PolarHBondContact O-N 2.98Å; Y830-Q904 HydrophobicContact CD2-CB 3.57Å; Y830-Q904 HydrophobicContact CE2-CB 3.52Å; Y830-Q904 HydrophobicContact CE2-CG 4.05Å; Y830-Q904 HydrophobicContact CG-CB 4.46Å; Q904-V906 PolarHBondContact O-N 3.07Å
905	I	96.4	Very high	93.8	Very high	69 Å²	69	41.4 Å²	41.4	35%	0.354	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.4	179.3	-64.2	171.4	0	0	0	110	T664 V666 R825 L826 M827	T664-I905 HydrophobicContact CG2-CD1 4.29Å; T664-I905 HydrophobicContact CG2-CG1 3.99Å; V666-I905 HydrophobicContact CG1-CD1 3.67Å; R825-I905 HydrophobicContact CB-CG2 3.98Å; R825-I905 HydrophobicContact CG-CG2 4.24Å; L826-I905 WeakPolarHBondContact O-CA 3.48Å; M827-I905 HydrophobicContact CG-CG1 4.41Å
906	V	96.5	Very high	93.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-68.2	130.9	172.8	-174.7	0	0	0	0	108.5	L826 E828 Q904 G908 L928 A929 F932	L826-V906 HydrophobicContact CB-CB 4.4Å; L826-V906 HydrophobicContact CB-CG2 4.03Å; L826-V906 PolarHBondContact O-N 2.91Å; E828-V906 HydrophobicContact CB-CG2 3.66Å; E828-V906 HydrophobicContact CG-CG2 3.86Å; Q904-V906 PolarHBondContact O-N 3.07Å; V906-G908 PolarHBondContact O-N 3.23Å; V906-L928 HydrophobicContact CG1-CB 3.75Å; V906-A929 HydrophobicContact CB-CB 4.16Å; V906-A929 HydrophobicContact CG1-CB 3.94Å; V906-F932 HydrophobicContact CG1-CD2 3.89Å; V906-F932 HydrophobicContact CG1-CE2 3.99Å; V906-F932 HydrophobicContact CG2-CD2 4.19Å; V906-F932 HydrophobicContact CG2-CE2 4.5Å
907	P	94.6	Very high	93.5	Very high	52 Å²	52	46.3 Å²	46.3	34%	0.338	25%	0.253	S	S	.	.	S	Bend	trans	-62.4	136.4	174.8	-18	30.4	0	0	0	111.1	A925 A929	P907-A925 CarbonylContact C-O 3.5Å; P907-A925 WeakPolarHBondContact CB-O 3.45Å; P907-A929 PolarHBondContact O-N 3.48Å
908	G	92.3	Very high	93.2	Very high	27 Å²	27	53.1 Å²	53.1	28%	0.278	28%	0.279	S	S	.	.	S	Bend	trans	109.8	179.7	-178	0	0	0	0	0	114.2	R825 V906 P926	R825-G908 WeakPolarHBondContact CD-O 3.35Å; V906-G908 PolarHBondContact O-N 3.23Å; G908-P926 WeakPolarHBondContact CA-O 3.16Å
909	D	93.3	Very high	92.8	Very high	43 Å²	43	56.5 Å²	56.5	23%	0.23	30%	0.299	C	S	.	.			trans	-114.3	120.6	177.4	-166.1	-32.6	0	0	0	109.7	R825 L911 D912	R825-D909 IonicContact CZ-OD1 3.64Å; R825-D909 IonicContact CZ-OD2 3.73Å; R825-D909 VanDerWaalsContact CZ-OD2 3.29Å; R825-D909 IonicContact NH1-OD1 3.64Å; R825-D909 PolarHBondContact NH1-OD1 3.09Å; R825-D909 IonicContact NH1-OD2 2.71Å; R825-D909 PolarHBondContact NH1-OD2 2.86Å; R825-D909 IonicContact NH2-OD2 3.98Å; R825-D909 PolarHBondContact NH2-OD2 3.12Å; D909-L911 PolarHBondContact O-N 3.23Å; D909-L911 PolarHBondContact OD1-N 3.39Å; D909-D912 HydrophobicContact CB-CB 4.03Å; D909-D912 PolarHBondContact O-N 2.9Å
910	P	93.9	Very high	92.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.5	179	27.7	-34.5	0	0	0	113.2	L778 L826 A929 R930 M933	L778-P910 HydrophobicContact CD1-CG 4.22Å; L826-P910 HydrophobicContact CD1-CB 4.48Å; L826-P910 HydrophobicContact CG-CB 4.3Å; P910-A929 HydrophobicContact CB-CB 4.44Å; P910-R930 WeakPolarHBondContact O-CD 3.44Å; P910-R930 PolarHBondContact O-NH1 3.08Å; P910-M933 HydrophobicContact CB-CB 4.03Å; P910-M933 HydrophobicContact CB-CG 4.26Å; P910-M933 HydrophobicContact CB-SD 3.87Å; P910-M933 VanDerWaalsContact O-CE 3.25Å; P910-M933 WeakPolarHBondContact O-CE 3.39Å
911	L	90.8	Very high	92.3	Very high	21 Å²	21	67.9 Å²	67.9	11%	0.11	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	4.5	-176.7	-62.4	-176.4	0	0	0	113.9	L778 P824 D909 K913 M933 V946 Y969	L778-L911 HydrophobicContact CD2-CD2 3.96Å; L778-L911 HydrophobicContact CD2-CG 4.42Å; P824-L911 HydrophobicContact CG-CD1 3.45Å; P824-L911 VanDerWaalsContact CG-CD1 3.45Å; P824-L911 HydrophobicContact CG-CG 4.16Å; D909-L911 PolarHBondContact O-N 3.23Å; D909-L911 PolarHBondContact OD1-N 3.39Å; L911-K913 PolarHBondContact O-N 2.99Å; L911-K913 VanDerWaalsContact O-N 3.13Å; L911-M933 HydrophobicContact CD2-SD 4.19Å; L911-V946 HydrophobicContact CD2-CB 4.22Å; L911-V946 HydrophobicContact CD2-CG2 4.33Å; L911-Y969 HydrophobicContact CB-CE1 4.25Å; L911-Y969 HydrophobicContact CD1-CE1 4.35Å
912	D	90.4	Very high	92.1	Very high	60 Å²	60	69 Å²	69	32%	0.321	37%	0.374	S	S	.	.			trans	-77.4	100.2	179.7	-172	-4	0	0	0	112	D909 S914 I915 R930	D909-D912 HydrophobicContact CB-CB 4.03Å; D909-D912 PolarHBondContact O-N 2.9Å; D912-S914 VanDerWaalsContact C-N 3.26Å; D912-S914 VanDerWaalsContact CG-OG 3.28Å; D912-S914 PolarHBondContact O-N 3.39Å; D912-S914 WeakPolarHBondContact OD1-CB 3.06Å; D912-S914 PolarHBondContact OD1-N 2.97Å; D912-S914 PolarHBondContact OD1-OG 3.05Å; D912-S914 PolarHBondContact OD2-OG 3.37Å; D912-I915 HydrophobicContact CB-CG1 4.44Å; D912-R930 WeakPolarHBondContact O-CD 3.36Å; D912-R930 PolarHBondContact O-NE 3.41Å
913	K	88.2	Confident	92	Very high	99 Å²	99	68.5 Å²	68.5	43%	0.43	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-12.4	176.2	-62.9	-174.9	-179.3	-179.7	0	113.8	L911 I915 D945	L911-K913 PolarHBondContact O-N 2.99Å; L911-K913 VanDerWaalsContact O-N 3.13Å; K913-I915 PolarHBondContact O-N 3.3Å; K913-D945 WeakPolarHBondContact CE-OD2 3.14Å
914	S	90.8	Very high	91.9	Very high	90 Å²	90	70.7 Å²	70.7	63%	0.629	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.4	179.9	75.9	0	0	0	0	112.6	D912	D912-S914 VanDerWaalsContact C-N 3.26Å; D912-S914 VanDerWaalsContact CG-OG 3.28Å; D912-S914 PolarHBondContact O-N 3.39Å; D912-S914 WeakPolarHBondContact OD1-CB 3.06Å; D912-S914 PolarHBondContact OD1-N 2.97Å; D912-S914 PolarHBondContact OD1-OG 3.05Å; D912-S914 PolarHBondContact OD2-OG 3.37Å
915	I	90.9	Very high	91.7	Very high	33 Å²	33	68.8 Å²	68.8	17%	0.169	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-89.2	118.6	-179.1	-55.1	-54.2	0	0	0	110.4	D912 K913 I917 H927	D912-I915 HydrophobicContact CB-CG1 4.44Å; K913-I915 PolarHBondContact O-N 3.3Å; I915-I917 HydrophobicContact CG2-CD1 3.76Å; I915-H927 HydrophobicContact CG2-CB 3.89Å
916	V	90.1	Very high	91.5	Very high	125 Å²	125	69.3 Å²	69.3	76%	0.758	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-91.5	119.9	173.4	-178.2	0	0	0	0	109.5
917	I	92.1	Very high	91.4	Very high	33 Å²	33	72.4 Å²	72.4	17%	0.169	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-90.5	127.5	-179.8	-54.3	-59.7	0	0	0	109.8	I915 Q923 R930 E931 I934	I915-I917 HydrophobicContact CG2-CD1 3.76Å; I917-Q923 HydrophobicContact CD1-CG 4.13Å; I917-Q923 HydrophobicContact CG2-CG 4.09Å; I917-R930 HydrophobicContact CD1-CB 4.27Å; I917-R930 HydrophobicContact CD1-CG 4.1Å; I917-R930 HydrophobicContact CG1-CG 4.1Å; I917-E931 HydrophobicContact CD1-CB 4.15Å; I917-E931 HydrophobicContact CG2-CB 4.15Å; I917-E931 HydrophobicContact CG2-CG 4.03Å; I917-I934 HydrophobicContact CG1-CD1 4.09Å
918	R	90.6	Very high	91.4	Very high	148 Å²	148	70.6 Å²	70.6	56%	0.558	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-84.8	134.1	174.2	-67.7	174	180	-173.4	-1.1	109.7	L920 E921	R918-L920 PolarHBondContact O-N 2.94Å; R918-E921 HydrophobicContact CB-CB 4.14Å; R918-E921 HydrophobicContact CB-CG 4.48Å; R918-E921 WeakPolarHBondContact CD-OE2 3.3Å; R918-E921 IonicContact CZ-OE2 3.99Å; R918-E921 IonicContact NE-OE2 3.24Å; R918-E921 IonicContact NH1-OE1 3.27Å; R918-E921 PolarHBondContact NH1-OE1 2.98Å; R918-E921 IonicContact NH1-OE2 2.7Å; R918-E921 PolarHBondContact NH1-OE2 3.19Å
919	P	86.8	Confident	91.5	Very high	99 Å²	99	69.3 Å²	69.3	64%	0.643	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-42.3	-170.3	-28.4	35.3	0	0	0	115.9	K935	P919-K935 PolarHBondContact O-NZ 3.43Å
920	L	90.1	Very high	91.6	Very high	170 Å²	170	67.8 Å²	67.8	89%	0.89	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	1.8	-170.1	-66.9	174.3	0	0	0	114.4	R918	R918-L920 PolarHBondContact O-N 2.94Å
921	E	90.9	Very high	91.6	Very high	97 Å²	97	68.4 Å²	68.4	45%	0.453	38%	0.379	S	S	.	.	S	Bend	trans	-100.4	127	177.1	-70.3	-176.1	-177.6	0	0	110.2	R918 Q923	R918-E921 HydrophobicContact CB-CB 4.14Å; R918-E921 HydrophobicContact CB-CG 4.48Å; R918-E921 WeakPolarHBondContact CD-OE2 3.3Å; R918-E921 IonicContact CZ-OE2 3.99Å; R918-E921 IonicContact NE-OE2 3.24Å; R918-E921 IonicContact NH1-OE1 3.27Å; R918-E921 PolarHBondContact NH1-OE1 2.98Å; R918-E921 IonicContact NH1-OE2 2.7Å; R918-E921 PolarHBondContact NH1-OE2 3.19Å; E921-Q923 PolarHBondContact O-N 3.25Å; E921-Q923 PolarHBondContact O-NE2 2.93Å
922	P	89.9	Confident	91.8	Very high	125 Å²	125	68.1 Å²	68.1	81%	0.812	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-58.6	126.1	171.5	-21.6	32.2	0	0	0	110.5
923	Q	92.8	Very high	92	Very high	28 Å²	28	65.3 Å²	65.3	13%	0.131	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-80.6	149.6	-177.1	-59	-61.5	-49.2	0	0	112	I917 E921 H927 L928 E931	I917-Q923 HydrophobicContact CD1-CG 4.13Å; I917-Q923 HydrophobicContact CG2-CG 4.09Å; E921-Q923 PolarHBondContact O-N 3.25Å; E921-Q923 PolarHBondContact O-NE2 2.93Å; Q923-H927 HydrophobicContact CB-CB 4.5Å; Q923-L928 HydrophobicContact CB-CD2 4.3Å; Q923-L928 WeakPolarHBondContact O-CD2 3.33Å; Q923-E931 WeakPolarHBondContact CB-OE2 3.34Å; Q923-E931 HydrophobicContact CG-CB 4.13Å; Q923-E931 HydrophobicContact CG-CG 4.26Å; Q923-E931 WeakPolarHBondContact CG-OE2 3.45Å; Q923-E931 PolarHBondContact N-OE2 3Å
924	P	92.4	Very high	92.3	Very high	81 Å²	81	60.9 Å²	60.9	53%	0.526	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-63.7	155.6	171.3	-21	33.4	0	0	0	112.3	P926 H927	P924-P926 VanDerWaalsContact C-CD 3.41Å; P924-P926 VanDerWaalsContact O-N 3.12Å; P924-H927 PolarHBondContact O-N 3.42Å
925	A	91.4	Very high	92.4	Very high	44 Å²	44	60.9 Å²	60.9	36%	0.364	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-46.1	-46.3	-175.9	0	0	0	0	0	115.4	P907 H927 L928	P907-A925 CarbonylContact C-O 3.5Å; P907-A925 WeakPolarHBondContact CB-O 3.45Å; A925-H927 PolarHBondContact O-N 2.96Å; A925-L928 HydrophobicContact CB-CD1 4.43Å; A925-L928 PolarHBondContact O-N 2.87Å
926	P	93.3	Very high	92.5	Very high	80 Å²	80	60.2 Å²	60.2	52%	0.519	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.5	-15.2	-176.7	-22.6	34.9	0	0	0	115.4	G908 P924	G908-P926 WeakPolarHBondContact CA-O 3.16Å; P924-P926 VanDerWaalsContact C-CD 3.41Å; P924-P926 VanDerWaalsContact O-N 3.12Å
927	H	93.6	Very high	92.6	Very high	65 Å²	65	54.7 Å²	54.7	30%	0.301	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-113.5	-0.2	-175.2	-58	168.9	0	0	0	112.7	I915 Q923 P924 A925 A929 R930 E931	I915-H927 HydrophobicContact CG2-CB 3.89Å; Q923-H927 HydrophobicContact CB-CB 4.5Å; P924-H927 PolarHBondContact O-N 3.42Å; A925-H927 PolarHBondContact O-N 2.96Å; H927-A929 VanDerWaalsContact C-N 3.33Å; H927-A929 PolarHBondContact O-N 2.99Å; H927-R930 PolarHBondContact O-N 2.86Å; H927-E931 PolarHBondContact O-N 2.74Å
928	L	94.6	Very high	92.5	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-38.7	-175.5	-74.3	177	0	0	0	112.5	V906 Q923 A925 R930 E931 F932	V906-L928 HydrophobicContact CG1-CB 3.75Å; Q923-L928 HydrophobicContact CB-CD2 4.3Å; Q923-L928 WeakPolarHBondContact O-CD2 3.33Å; A925-L928 HydrophobicContact CB-CD1 4.43Å; A925-L928 PolarHBondContact O-N 2.87Å; L928-R930 PolarHBondContact O-N 2.87Å; L928-E931 PolarHBondContact O-N 2.8Å; L928-F932 HydrophobicContact CB-CD2 4.49Å; L928-F932 HydrophobicContact CB-CE2 4.1Å; L928-F932 HydrophobicContact CB-CZ 4.31Å; L928-F932 HydrophobicContact CD2-CE1 4.3Å; L928-F932 HydrophobicContact CD2-CZ 4.03Å; L928-F932 WeakPolarHBondContact O-CB 3.46Å; L928-F932 VanDerWaalsContact O-CG 3.32Å; L928-F932 WeakPolarHBondContact O-CG 3.24Å; L928-F932 PolarHBondContact O-N 2.87Å
929	A	95.2	Very high	92.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.7	-39.3	178.9	0	0	0	0	0	112.2	L826 V906 P907 P910 H927 M933	L826-A929 WeakPolarHBondContact CD1-O 3.31Å; V906-A929 HydrophobicContact CB-CB 4.16Å; V906-A929 HydrophobicContact CG1-CB 3.94Å; P907-A929 PolarHBondContact O-N 3.48Å; P910-A929 HydrophobicContact CB-CB 4.44Å; H927-A929 VanDerWaalsContact C-N 3.33Å; H927-A929 PolarHBondContact O-N 2.99Å; A929-M933 WeakPolarHBondContact O-CB 3.36Å; A929-M933 PolarHBondContact O-N 3.43Å; A929-M933 VanDerWaalsContact O-N 3.07Å
930	R	94.6	Very high	92.5	Very high	11 Å²	11	51.1 Å²	51.1	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-70.3	-43.4	177.7	-177.3	62.6	177	170.5	7.3	111.8	P910 D912 I917 H927 L928 M933 I934 D945	P910-R930 WeakPolarHBondContact O-CD 3.44Å; P910-R930 PolarHBondContact O-NH1 3.08Å; D912-R930 WeakPolarHBondContact O-CD 3.36Å; D912-R930 PolarHBondContact O-NE 3.41Å; I917-R930 HydrophobicContact CD1-CB 4.27Å; I917-R930 HydrophobicContact CD1-CG 4.1Å; I917-R930 HydrophobicContact CG1-CG 4.1Å; H927-R930 PolarHBondContact O-N 2.86Å; L928-R930 PolarHBondContact O-N 2.87Å; R930-M933 PolarHBondContact O-N 2.95Å; R930-I934 HydrophobicContact CG-CD1 3.99Å; R930-I934 VanDerWaalsContact NE-CD1 3.33Å; R930-I934 WeakPolarHBondContact O-CG1 3.26Å; R930-I934 PolarHBondContact O-N 2.94Å; R930-D945 IonicContact CZ-OD1 2.8Å; R930-D945 IonicContact NH1-OD1 3.85Å; R930-D945 PolarHBondContact NH1-OD1 2.83Å; R930-D945 IonicContact NH2-OD1 3.71Å; R930-D945 PolarHBondContact NH2-OD1 2.8Å; R930-D945 IonicContact NH2-OD2 2.77Å; R930-D945 PolarHBondContact NH2-OD2 3Å
931	E	94.8	Very high	92.4	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.065	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-52.5	175	178.2	179.1	-167.5	0	0	111.4	I917 Q923 H927 L928 M933 I934 K935	I917-E931 HydrophobicContact CD1-CB 4.15Å; I917-E931 HydrophobicContact CG2-CB 4.15Å; I917-E931 HydrophobicContact CG2-CG 4.03Å; Q923-E931 WeakPolarHBondContact CB-OE2 3.34Å; Q923-E931 HydrophobicContact CG-CB 4.13Å; Q923-E931 HydrophobicContact CG-CG 4.26Å; Q923-E931 WeakPolarHBondContact CG-OE2 3.45Å; Q923-E931 PolarHBondContact N-OE2 3Å; H927-E931 PolarHBondContact O-N 2.74Å; L928-E931 PolarHBondContact O-N 2.8Å; E931-M933 VanDerWaalsContact C-N 3.33Å; E931-M933 PolarHBondContact O-N 2.88Å; E931-I934 PolarHBondContact O-N 3.36Å; E931-K935 HydrophobicContact CG-CD 3.84Å; E931-K935 HydrophobicContact CG-CG 4.4Å; E931-K935 WeakPolarHBondContact O-CB 3.36Å; E931-K935 WeakPolarHBondContact O-CG 3.49Å; E931-K935 PolarHBondContact O-N 2.86Å; E931-K935 WeakPolarHBondContact OE1-CE 3.41Å; E931-K935 IonicContact OE1-NZ 2.64Å; E931-K935 PolarHBondContact OE1-NZ 3.04Å
932	F	95.1	Very high	92.3	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-39.2	-177.6	-64.9	-19.1	0	0	0	111.9	F661 L826 I877 V906 L928 T936	F661-F932 HydrophobicContact CE1-CB 4.11Å; F661-F932 AromaticContact CE1-CD2 3.54Å; F661-F932 HydrophobicContact CE1-CD2 3.54Å; F661-F932 HydrophobicContact CE1-CE2 4.11Å; F661-F932 AromaticContact CE1-CG 3.92Å; F661-F932 HydrophobicContact CE1-CG 3.92Å; F661-F932 HydrophobicContact CE2-CB 4.07Å; F661-F932 HydrophobicContact CE2-CG 4.41Å; F661-F932 HydrophobicContact CZ-CB 3.69Å; F661-F932 HydrophobicContact CZ-CD1 4.15Å; F661-F932 AromaticContact CZ-CD2 3.71Å; F661-F932 HydrophobicContact CZ-CD2 3.71Å; F661-F932 HydrophobicContact CZ-CE2 4.35Å; F661-F932 AromaticContact CZ-CG 3.59Å; F661-F932 HydrophobicContact CZ-CG 3.59Å; L826-F932 HydrophobicContact CD1-CB 4.12Å; I877-F932 HydrophobicContact CD1-CD1 4.27Å; I877-F932 HydrophobicContact CD1-CE1 3.57Å; I877-F932 HydrophobicContact CD1-CZ 3.77Å; I877-F932 HydrophobicContact CG2-CZ 4.17Å; V906-F932 HydrophobicContact CG1-CD2 3.89Å; V906-F932 HydrophobicContact CG1-CE2 3.99Å; V906-F932 HydrophobicContact CG2-CD2 4.19Å; V906-F932 HydrophobicContact CG2-CE2 4.5Å; L928-F932 HydrophobicContact CB-CD2 4.49Å; L928-F932 HydrophobicContact CB-CE2 4.1Å; L928-F932 HydrophobicContact CB-CZ 4.31Å; L928-F932 HydrophobicContact CD2-CE1 4.3Å; L928-F932 HydrophobicContact CD2-CZ 4.03Å; L928-F932 WeakPolarHBondContact O-CB 3.46Å; L928-F932 VanDerWaalsContact O-CG 3.32Å; L928-F932 WeakPolarHBondContact O-CG 3.24Å; L928-F932 PolarHBondContact O-N 2.87Å; F932-T936 WeakPolarHBondContact O-CB 3.39Å; F932-T936 PolarHBondContact O-N 3.14Å; F932-T936 PolarHBondContact O-OG1 3.22Å
933	M	95.1	Very high	92.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-54.4	176.7	-168.4	-157.9	67.9	0	0	110.9	L826 P910 L911 A929 R930 E931 K935 T936 R937 V946	L826-M933 HydrophobicContact CD1-CB 3.88Å; P910-M933 HydrophobicContact CB-CB 4.03Å; P910-M933 HydrophobicContact CB-CG 4.26Å; P910-M933 HydrophobicContact CB-SD 3.87Å; P910-M933 VanDerWaalsContact O-CE 3.25Å; P910-M933 WeakPolarHBondContact O-CE 3.39Å; L911-M933 HydrophobicContact CD2-SD 4.19Å; A929-M933 WeakPolarHBondContact O-CB 3.36Å; A929-M933 PolarHBondContact O-N 3.43Å; A929-M933 VanDerWaalsContact O-N 3.07Å; R930-M933 PolarHBondContact O-N 2.95Å; E931-M933 VanDerWaalsContact C-N 3.33Å; E931-M933 PolarHBondContact O-N 2.88Å; M933-K935 PolarHBondContact O-N 3.2Å; M933-T936 PolarHBondContact O-N 2.94Å; M933-R937 HydrophobicContact CG-CG 4.44Å; M933-R937 WeakPolarHBondContact O-CB 3.42Å; M933-R937 VanDerWaalsContact O-CG 3.26Å; M933-R937 WeakPolarHBondContact O-CG 3.43Å; M933-R937 PolarHBondContact O-N 3.03Å; M933-V946 HydrophobicContact SD-CG2 4.31Å
934	I	93.6	Very high	91.8	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-48.7	-177.4	-70.6	166.9	0	0	0	111	I917 R930 E931 T936 R937 R938 E944	I917-I934 HydrophobicContact CG1-CD1 4.09Å; R930-I934 HydrophobicContact CG-CD1 3.99Å; R930-I934 VanDerWaalsContact NE-CD1 3.33Å; R930-I934 WeakPolarHBondContact O-CG1 3.26Å; R930-I934 PolarHBondContact O-N 2.94Å; E931-I934 PolarHBondContact O-N 3.36Å; I934-T936 VanDerWaalsContact C-N 3.33Å; I934-T936 PolarHBondContact O-N 3.22Å; I934-R937 PolarHBondContact O-N 3.41Å; I934-R938 HydrophobicContact CG2-CG 4.29Å; I934-R938 WeakPolarHBondContact O-CG 3.38Å; I934-R938 PolarHBondContact O-N 3.32Å; I934-E944 HydrophobicContact CG1-CG 4.31Å; I934-E944 HydrophobicContact CG2-CG 3.97Å
935	K	92.4	Very high	91.3	Very high	90 Å²	90	40.5 Å²	40.5	39%	0.391	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-41.1	-178.2	-73.1	-175.1	173.6	179.7	0	111.7	P919 E931 M933 R939	P919-K935 PolarHBondContact O-NZ 3.43Å; E931-K935 HydrophobicContact CG-CD 3.84Å; E931-K935 HydrophobicContact CG-CG 4.4Å; E931-K935 WeakPolarHBondContact O-CB 3.36Å; E931-K935 WeakPolarHBondContact O-CG 3.49Å; E931-K935 PolarHBondContact O-N 2.86Å; E931-K935 WeakPolarHBondContact OE1-CE 3.41Å; E931-K935 IonicContact OE1-NZ 2.64Å; E931-K935 PolarHBondContact OE1-NZ 3.04Å; M933-K935 PolarHBondContact O-N 3.2Å; K935-R939 PolarHBondContact O-N 3.25Å; K935-R939 VanDerWaalsContact O-N 3.09Å
936	T	92.6	Very high	90.9	Very high	19 Å²	19	39 Å²	39	12%	0.117	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-42.8	177.2	-54.8	0	0	0	0	111.4	C779 F932 M933 I934 R939 K940	C779-T936 HydrophobicContact CB-CG2 3.96Å; F932-T936 WeakPolarHBondContact O-CB 3.39Å; F932-T936 PolarHBondContact O-N 3.14Å; F932-T936 PolarHBondContact O-OG1 3.22Å; M933-T936 PolarHBondContact O-N 2.94Å; I934-T936 VanDerWaalsContact C-N 3.33Å; I934-T936 PolarHBondContact O-N 3.22Å; T936-R939 PolarHBondContact O-N 2.71Å; T936-K940 PolarHBondContact O-N 3Å
937	R	92.6	Very high	89.8	Confident	9 Å²	9	37.3 Å²	37.3	3%	0.034	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-45.9	177.2	-72.2	-178.5	73.4	68.7	7.8	112.1	L778 C779 M933 I934 R939 K940 G941 L942 S943 E944	L778-R937 WeakPolarHBondContact O-CD 3.35Å; L778-R937 WeakPolarHBondContact O-CG 3.2Å; L778-R937 PolarHBondContact O-NH1 3.48Å; C779-R937 HydrophobicContact CB-CG 4.11Å; M933-R937 HydrophobicContact CG-CG 4.44Å; M933-R937 WeakPolarHBondContact O-CB 3.42Å; M933-R937 VanDerWaalsContact O-CG 3.26Å; M933-R937 WeakPolarHBondContact O-CG 3.43Å; M933-R937 PolarHBondContact O-N 3.03Å; I934-R937 PolarHBondContact O-N 3.41Å; R937-R939 VanDerWaalsContact C-N 3.35Å; R937-R939 PolarHBondContact O-N 2.58Å; R937-K940 PolarHBondContact O-N 2.78Å; R937-G941 PolarHBondContact O-N 2.91Å; R937-L942 HydrophobicContact CB-CB 4.14Å; R937-L942 HydrophobicContact CG-CB 4.5Å; R937-L942 HydrophobicContact CG-CD1 4.34Å; R937-L942 PolarHBondContact O-N 3.21Å; R937-S943 PolarHBondContact NE-O 3.37Å; R937-S943 PolarHBondContact NH2-O 2.75Å; R937-S943 PolarHBondContact NH2-OG 3.04Å; R937-E944 WeakPolarHBondContact CD-O 3.39Å; R937-E944 PolarHBondContact NE-O 2.81Å
938	R	90.8	Very high	88.7	Confident	139 Å²	139	36.3 Å²	36.3	53%	0.525	19%	0.192	S	C	.	.	H	α-helix	trans	-59.1	-44.3	176.4	-72.3	-178.6	-172.6	180	3	111.8	I934 K940 G941 E944	I934-R938 HydrophobicContact CG2-CG 4.29Å; I934-R938 WeakPolarHBondContact O-CG 3.38Å; I934-R938 PolarHBondContact O-N 3.32Å; R938-K940 VanDerWaalsContact C-N 3.31Å; R938-K940 PolarHBondContact O-N 3.01Å; R938-G941 PolarHBondContact O-N 3.28Å; R938-G941 VanDerWaalsContact O-N 3.12Å; R938-E944 IonicContact CZ-OE1 3.38Å; R938-E944 IonicContact NE-OE1 3.61Å; R938-E944 VanDerWaalsContact NH2-CD 3.33Å; R938-E944 IonicContact NH2-OE1 3.67Å; R938-E944 PolarHBondContact NH2-OE1 3.05Å; R938-E944 IonicContact NH2-OE2 3.22Å
939	R	87.6	Confident	87.2	Confident	57 Å²	57	39 Å²	39	22%	0.215	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-38.4	176.9	-179.8	175.5	-102.6	173.1	-4	112.6	S623 E625 K935 T936 R937 G941	S623-R939 PolarHBondContact OG-O 2.7Å; E625-R939 WeakPolarHBondContact OE2-CG 3.02Å; E625-R939 IonicContact OE2-NE 3.63Å; K935-R939 PolarHBondContact O-N 3.25Å; K935-R939 VanDerWaalsContact O-N 3.09Å; T936-R939 PolarHBondContact O-N 2.71Å; R937-R939 VanDerWaalsContact C-N 3.35Å; R937-R939 PolarHBondContact O-N 2.58Å; R939-G941 PolarHBondContact O-N 3.27Å
940	K	88.6	Confident	86.1	Confident	9 Å²	9	45 Å²	45	4%	0.039	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-4.7	177.3	-71.4	-171.6	179	176.5	0	114.3	C779 D780 E781 T936 R937 R938 L942	C779-K940 VanDerWaalsContact O-CD 3.22Å; C779-K940 WeakPolarHBondContact O-CD 3.1Å; C779-K940 WeakPolarHBondContact O-CE 3.32Å; C779-K940 PolarHBondContact O-NZ 3.06Å; D780-K940 HydrophobicContact CB-CD 3.94Å; D780-K940 PolarHBondContact O-NZ 2.8Å; E781-K940 VanDerWaalsContact CD-NZ 3.32Å; E781-K940 WeakPolarHBondContact OE1-CE 3.26Å; E781-K940 IonicContact OE1-NZ 3.09Å; E781-K940 PolarHBondContact OE1-NZ 3.33Å; T936-K940 PolarHBondContact O-N 3Å; R937-K940 PolarHBondContact O-N 2.78Å; R938-K940 VanDerWaalsContact C-N 3.31Å; R938-K940 PolarHBondContact O-N 3.01Å; K940-L942 VanDerWaalsContact C-N 3.3Å; K940-L942 HydrophobicContact CB-CD1 4.15Å; K940-L942 HydrophobicContact CB-CG 3.97Å
941	G	87.9	Confident	85.1	Confident	59 Å²	59	45.8 Å²	45.8	61%	0.608	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	16.2	-175.3	0	0	0	0	0	114	R937 R938 R939	R937-G941 PolarHBondContact O-N 2.91Å; R938-G941 PolarHBondContact O-N 3.28Å; R938-G941 VanDerWaalsContact O-N 3.12Å; R939-G941 PolarHBondContact O-N 3.27Å
942	L	88.8	Confident	84.3	Confident	23 Å²	23	45.5 Å²	45.5	12%	0.12	24%	0.24	C	C	.	.			trans	-82	158.1	177.3	-57.8	174.5	0	0	0	111.1	D780 R937 K940 E944	D780-L942 HydrophobicContact CB-CD1 4.28Å; D780-L942 WeakPolarHBondContact OD2-CD1 3.42Å; D780-L942 WeakPolarHBondContact OD2-CD2 3.37Å; R937-L942 HydrophobicContact CB-CB 4.14Å; R937-L942 HydrophobicContact CG-CB 4.5Å; R937-L942 HydrophobicContact CG-CD1 4.34Å; R937-L942 PolarHBondContact O-N 3.21Å; K940-L942 VanDerWaalsContact C-N 3.3Å; K940-L942 HydrophobicContact CB-CD1 4.15Å; K940-L942 HydrophobicContact CB-CG 3.97Å; L942-E944 PolarHBondContact O-N 3.08Å
943	S	88.8	Confident	83.3	Confident	62 Å²	62	46 Å²	46	43%	0.434	24%	0.244	S	C	.	.			trans	-54	140.6	170.1	61.6	0	0	0	0	110.6	R937 D945	R937-S943 PolarHBondContact NE-O 3.37Å; R937-S943 PolarHBondContact NH2-O 2.75Å; R937-S943 PolarHBondContact NH2-OG 3.04Å; S943-D945 VanDerWaalsContact C-N 3.29Å; S943-D945 PolarHBondContact O-N 2.58Å; S943-D945 PolarHBondContact OG-O 2.98Å
944	E	83.7	Confident	82.1	Confident	89 Å²	89	52 Å²	52	42%	0.416	28%	0.276	S	S	.	.	S	Bend	trans	-55.5	-44	-174.6	179.6	165.1	-170	0	0	113.2	I934 R937 R938 L942	I934-E944 HydrophobicContact CG1-CG 4.31Å; I934-E944 HydrophobicContact CG2-CG 3.97Å; R937-E944 WeakPolarHBondContact CD-O 3.39Å; R937-E944 PolarHBondContact NE-O 2.81Å; R938-E944 IonicContact CZ-OE1 3.38Å; R938-E944 IonicContact NE-OE1 3.61Å; R938-E944 VanDerWaalsContact NH2-CD 3.33Å; R938-E944 IonicContact NH2-OE1 3.67Å; R938-E944 PolarHBondContact NH2-OE1 3.05Å; R938-E944 IonicContact NH2-OE2 3.22Å; L942-E944 PolarHBondContact O-N 3.08Å
945	D	83.3	Confident	81.1	Confident	45 Å²	45	54.2 Å²	54.2	24%	0.241	29%	0.291	C	S	.	.	S	Bend	trans	-102.6	151.1	174.3	-90.5	-41.7	0	0	0	112.5	K913 R930 S943 S947	K913-D945 WeakPolarHBondContact CE-OD2 3.14Å; R930-D945 IonicContact CZ-OD1 2.8Å; R930-D945 IonicContact NH1-OD1 3.85Å; R930-D945 PolarHBondContact NH1-OD1 2.83Å; R930-D945 IonicContact NH2-OD1 3.71Å; R930-D945 PolarHBondContact NH2-OD1 2.8Å; R930-D945 IonicContact NH2-OD2 2.77Å; R930-D945 PolarHBondContact NH2-OD2 3Å; S943-D945 VanDerWaalsContact C-N 3.29Å; S943-D945 PolarHBondContact O-N 2.58Å; S943-D945 PolarHBondContact OG-O 2.98Å; D945-S947 PolarHBondContact O-N 3.32Å
946	V	81.1	Confident	80.2	Confident	12 Å²	12	50.1 Å²	50.1	7%	0.073	27%	0.273	C	S	.	.			trans	-78.5	107.4	168.2	-177.7	0	0	0	0	107.8	L778 L820 L911 M933 I948 F951	L778-V946 HydrophobicContact CD2-CG2 4.38Å; L820-V946 HydrophobicContact CD1-CG1 4.08Å; L820-V946 HydrophobicContact CD2-CG1 3.98Å; L911-V946 HydrophobicContact CD2-CB 4.22Å; L911-V946 HydrophobicContact CD2-CG2 4.33Å; M933-V946 HydrophobicContact SD-CG2 4.31Å; V946-I948 PolarHBondContact O-N 2.92Å; V946-F951 HydrophobicContact CG1-CE2 4.13Å
947	S	71.1	Confident	79.4	Confident	44 Å²	44	51.8 Å²	51.8	31%	0.308	28%	0.281	S	S	.	.			trans	-80	119.5	173.4	55.2	0	0	0	0	110.1	D945 S949 K950	D945-S947 PolarHBondContact O-N 3.32Å; S947-S949 PolarHBondContact O-N 3.09Å; S947-K950 WeakPolarHBondContact O-CB 3.25Å; S947-K950 PolarHBondContact O-N 3.31Å; S947-K950 WeakPolarHBondContact OG-CB 3.37Å
948	I	69.9	Low	78.5	Confident	45 Å²	45	56.5 Å²	56.5	23%	0.231	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-59.7	-34.5	175.7	-57.7	175.4	0	0	0	109.4	M821 V946 K950 F951 F952 Y969	M821-I948 HydrophobicContact CE-CG2 4.12Å; V946-I948 PolarHBondContact O-N 2.92Å; I948-K950 PolarHBondContact O-N 3.38Å; I948-K950 VanDerWaalsContact O-N 3.09Å; I948-F951 PolarHBondContact O-N 2.92Å; I948-F952 HydrophobicContact CG2-CD2 3.46Å; I948-F952 VanDerWaalsContact CG2-CD2 3.46Å; I948-F952 HydrophobicContact CG2-CE2 3.37Å; I948-F952 HydrophobicContact CG2-CG 4.1Å; I948-F952 HydrophobicContact CG2-CZ 4.01Å; I948-F952 WeakPolarHBondContact O-CD2 3.44Å; I948-F952 PolarHBondContact O-N 3.02Å; I948-Y969 HydrophobicContact CD1-CD1 3.88Å; I948-Y969 HydrophobicContact CD1-CD2 4.3Å; I948-Y969 HydrophobicContact CD1-CE1 4.43Å; I948-Y969 HydrophobicContact CD1-CG 3.8Å
949	S	64.5	Low	77.6	Confident	71 Å²	71	53.7 Å²	53.7	50%	0.497	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-59	-21.9	175.4	53.3	0	0	0	0	115	S947 F951	S947-S949 PolarHBondContact O-N 3.09Å; S949-F951 VanDerWaalsContact C-N 3.34Å; S949-F951 PolarHBondContact O-N 2.83Å
950	K	71.1	Confident	76.8	Confident	126 Å²	126	51.3 Å²	51.3	55%	0.548	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-68.7	-32.1	-179.6	-171.7	175.6	-178.8	-178.2	0	112.9	S947 I948	S947-K950 WeakPolarHBondContact O-CB 3.25Å; S947-K950 PolarHBondContact O-N 3.31Å; S947-K950 WeakPolarHBondContact OG-CB 3.37Å; I948-K950 PolarHBondContact O-N 3.38Å; I948-K950 VanDerWaalsContact O-N 3.09Å
951	F	74.3	Confident	75.9	Confident	26 Å²	26	53.5 Å²	53.5	11%	0.114	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-17.6	-170.1	-57.8	-65.7	0	0	0	113.7	P777 R813 Y816 L820 V946 I948 S949	P777-F951 HydrophobicContact CB-CE2 4.35Å; P777-F951 HydrophobicContact CB-CZ 4.5Å; R813-F951 PolarHBondContact NH2-O 3.13Å; Y816-F951 AromaticContact CD2-CD1 3.62Å; Y816-F951 HydrophobicContact CD2-CD1 3.62Å; Y816-F951 AromaticContact CD2-CE1 3.53Å; Y816-F951 HydrophobicContact CD2-CE1 3.53Å; Y816-F951 HydrophobicContact CD2-CG 4.43Å; Y816-F951 HydrophobicContact CD2-CZ 4.28Å; Y816-F951 HydrophobicContact CE2-CD1 4.49Å; Y816-F951 HydrophobicContact CE2-CE1 4.02Å; Y816-F951 HydrophobicContact CG-CD1 4.36Å; Y816-F951 HydrophobicContact CG-CE1 4.44Å; L820-F951 HydrophobicContact CD1-CD2 3.63Å; L820-F951 HydrophobicContact CD1-CE2 4.18Å; L820-F951 HydrophobicContact CD1-CG 4.48Å; V946-F951 HydrophobicContact CG1-CE2 4.13Å; I948-F951 PolarHBondContact O-N 2.92Å; S949-F951 VanDerWaalsContact C-N 3.34Å; S949-F951 PolarHBondContact O-N 2.83Å
952	F	78.3	Confident	74.9	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.035	32%	0.316	C	S	.	.	S	Bend	trans	-95.5	136.3	-176.2	-72.3	-107.4	0	0	0	110.8	M821 I948 M956 L957 L960	M821-F952 HydrophobicContact CE-CD1 4.47Å; M821-F952 HydrophobicContact CE-CE1 3.48Å; M821-F952 VanDerWaalsContact CE-CE1 3.48Å; M821-F952 HydrophobicContact CE-CE2 4.13Å; M821-F952 HydrophobicContact CE-CZ 3.25Å; M821-F952 HydrophobicContact CG-CE1 4.23Å; M821-F952 HydrophobicContact CG-CZ 3.8Å; M821-F952 HydrophobicContact SD-CZ 4.38Å; I948-F952 HydrophobicContact CG2-CD2 3.46Å; I948-F952 VanDerWaalsContact CG2-CD2 3.46Å; I948-F952 HydrophobicContact CG2-CE2 3.37Å; I948-F952 HydrophobicContact CG2-CG 4.1Å; I948-F952 HydrophobicContact CG2-CZ 4.01Å; I948-F952 WeakPolarHBondContact O-CD2 3.44Å; I948-F952 PolarHBondContact O-N 3.02Å; F952-M956 HydrophobicContact CD1-CB 4.27Å; F952-M956 HydrophobicContact CD1-CG 3.47Å; F952-M956 VanDerWaalsContact CD1-CG 3.47Å; F952-M956 HydrophobicContact CE1-CE 4.22Å; F952-M956 HydrophobicContact CE1-CG 4.07Å; F952-L957 HydrophobicContact CB-CD2 3.69Å; F952-L957 HydrophobicContact CB-CG 3.83Å; F952-L957 HydrophobicContact CG-CD2 4.37Å; F952-L960 HydrophobicContact CD1-CD1 3.5Å; F952-L960 VanDerWaalsContact CD1-CD1 3.5Å; F952-L960 HydrophobicContact CE1-CD1 3.71Å; F952-L960 HydrophobicContact CG-CD1 4.27Å
953	D	72.4	Confident	73.8	Confident	26 Å²	26	62.4 Å²	62.4	14%	0.139	33%	0.333	C	S	.	.			trans	-72.6	153	171.5	-67	-51.1	0	0	0	110.9	A675 E676 R813 P955 M956 L957	A675-D953 WeakPolarHBondContact CA-OD2 3.48Å; E676-D953 PolarHBondContact N-OD2 3.16Å; R813-D953 IonicContact CZ-OD1 3.51Å; R813-D953 IonicContact NH1-OD1 3.37Å; R813-D953 PolarHBondContact NH1-OD1 2.9Å; R813-D953 IonicContact NH1-OD2 3.42Å; R813-D953 IonicContact NH2-OD1 2.75Å; R813-D953 PolarHBondContact NH2-OD1 2.98Å; R813-D953 IonicContact NH2-OD2 3.79Å; D953-P955 VanDerWaalsContact C-N 3.28Å; D953-P955 VanDerWaalsContact O-N 3.16Å; D953-M956 WeakPolarHBondContact O-CA 3.48Å; D953-M956 WeakPolarHBondContact O-CB 3.32Å; D953-M956 PolarHBondContact O-N 3.32Å; D953-L957 PolarHBondContact O-N 3.47Å
954	D	70.3	Confident	72.2	Confident	126 Å²	126	65 Å²	65	67%	0.674	34%	0.342	S	S	*	.	H	α-helix	trans	-47.3	-42.4	175.6	-61.1	-27.9	0	0	0	113.8	M956 L957 L958	D954-M956 VanDerWaalsContact C-N 3.32Å; D954-M956 PolarHBondContact O-N 2.92Å; D954-L957 PolarHBondContact O-N 3.4Å; D954-L958 VanDerWaalsContact O-CG 3.3Å; D954-L958 WeakPolarHBondContact O-CG 3.17Å; D954-L958 PolarHBondContact O-N 3.18Å
955	P	72.4	Confident	70.7	Confident	54 Å²	54	63.3 Å²	63.3	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-34.8	176.6	-21.4	35.8	0	0	0	113.3	F674 D953 E959	F674-P955 HydrophobicContact CE2-CB 4.17Å; F674-P955 HydrophobicContact CZ-CB 4.07Å; D953-P955 VanDerWaalsContact C-N 3.28Å; D953-P955 VanDerWaalsContact O-N 3.16Å; P955-E959 PolarHBondContact O-N 3.09Å; P955-E959 VanDerWaalsContact O-N 3.08Å
956	M	74.9	Confident	69	Low	3 Å²	3	64.2 Å²	64.2	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-75.1	-38.9	177.7	-173.5	67.7	-169.2	0	0	110.9	C673 F674 F952 D953 D954 L958 E959 L960	C673-M956 HydrophobicContact CB-CE 4.4Å; F674-M956 HydrophobicContact CD1-SD 3.48Å; F674-M956 WeakPolarHBondContact CD1-SD 3.5Å; F674-M956 HydrophobicContact CE1-CB 4.15Å; F674-M956 HydrophobicContact CE1-CG 4.36Å; F674-M956 HydrophobicContact CE1-SD 3.37Å; F674-M956 WeakPolarHBondContact CE1-SD 3.42Å; F674-M956 HydrophobicContact CE2-CB 4.28Å; F674-M956 HydrophobicContact CG-SD 4.33Å; F674-M956 HydrophobicContact CZ-CB 3.94Å; F674-M956 HydrophobicContact CZ-SD 4.15Å; F952-M956 HydrophobicContact CD1-CB 4.27Å; F952-M956 HydrophobicContact CD1-CG 3.47Å; F952-M956 VanDerWaalsContact CD1-CG 3.47Å; F952-M956 HydrophobicContact CE1-CE 4.22Å; F952-M956 HydrophobicContact CE1-CG 4.07Å; D953-M956 WeakPolarHBondContact O-CA 3.48Å; D953-M956 WeakPolarHBondContact O-CB 3.32Å; D953-M956 PolarHBondContact O-N 3.32Å; D954-M956 VanDerWaalsContact C-N 3.32Å; D954-M956 PolarHBondContact O-N 2.92Å; M956-L958 VanDerWaalsContact C-N 3.26Å; M956-L958 PolarHBondContact O-N 3.48Å; M956-E959 PolarHBondContact O-N 2.86Å; M956-E959 VanDerWaalsContact O-N 3.12Å; M956-L960 HydrophobicContact CE-CD2 4.41Å; M956-L960 HydrophobicContact CE-CG 4.33Å; M956-L960 HydrophobicContact CG-CD1 4.5Å; M956-L960 WeakPolarHBondContact O-CG 3.45Å; M956-L960 PolarHBondContact O-N 3.47Å
957	L	75.6	Confident	67	Low	55 Å²	55	70.2 Å²	70.2	29%	0.288	38%	0.376	S	S	.	.	H	α-helix	trans	-59.7	-38.8	171.9	-69.5	174.1	0	0	0	111.6	F952 D953 D954 L960 A961	F952-L957 HydrophobicContact CB-CD2 3.69Å; F952-L957 HydrophobicContact CB-CG 3.83Å; F952-L957 HydrophobicContact CG-CD2 4.37Å; D953-L957 PolarHBondContact O-N 3.47Å; D954-L957 PolarHBondContact O-N 3.4Å; L957-L960 HydrophobicContact CD2-CD1 4.26Å; L957-L960 PolarHBondContact O-N 2.93Å; L957-A961 WeakPolarHBondContact O-CB 3.47Å; L957-A961 PolarHBondContact O-N 3.33Å
958	L	73.6	Confident	65.6	Low	107 Å²	107	75 Å²	75	56%	0.56	40%	0.398	S	S	*	.	H	α-helix	trans	-66.1	-37.2	173.1	-74	165.2	0	0	0	112.8	D954 M956 K962	D954-L958 VanDerWaalsContact O-CG 3.3Å; D954-L958 WeakPolarHBondContact O-CG 3.17Å; D954-L958 PolarHBondContact O-N 3.18Å; M956-L958 VanDerWaalsContact C-N 3.26Å; M956-L958 PolarHBondContact O-N 3.48Å; L958-K962 VanDerWaalsContact O-CG 3.25Å; L958-K962 WeakPolarHBondContact O-CG 3.35Å; L958-K962 PolarHBondContact O-N 3.21Å
959	E	72	Confident	64.3	Low	80 Å²	80	77 Å²	77	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-68.1	-40.5	173.9	-78.9	-167.9	-178.3	0	0	112.3	F674 P955 M956 A961 K962 Q963	F674-E959 WeakPolarHBondContact CE1-OE2 3.43Å; P955-E959 PolarHBondContact O-N 3.09Å; P955-E959 VanDerWaalsContact O-N 3.08Å; M956-E959 PolarHBondContact O-N 2.86Å; M956-E959 VanDerWaalsContact O-N 3.12Å; E959-A961 VanDerWaalsContact C-N 3.34Å; E959-A961 PolarHBondContact O-N 3.36Å; E959-K962 PolarHBondContact O-N 3.33Å; E959-Q963 WeakPolarHBondContact O-CG 3.46Å; E959-Q963 PolarHBondContact O-N 3.42Å
960	L	71.1	Confident	62.7	Low	7 Å²	7	78.2 Å²	78.2	4%	0.037	41%	0.409	C	S	.	.	H	α-helix	trans	-59.7	-45	173.3	-73	167.4	0	0	0	111.6	L671 M821 F952 M956 L957 K962 Q963 V966	L671-L960 HydrophobicContact CD1-CD2 3.3Å; M821-L960 HydrophobicContact CE-CD1 3.76Å; M821-L960 HydrophobicContact CE-CD2 3.56Å; M821-L960 HydrophobicContact CE-CG 4.34Å; M821-L960 HydrophobicContact SD-CD2 4.29Å; F952-L960 HydrophobicContact CD1-CD1 3.5Å; F952-L960 VanDerWaalsContact CD1-CD1 3.5Å; F952-L960 HydrophobicContact CE1-CD1 3.71Å; F952-L960 HydrophobicContact CG-CD1 4.27Å; M956-L960 HydrophobicContact CE-CD2 4.41Å; M956-L960 HydrophobicContact CE-CG 4.33Å; M956-L960 HydrophobicContact CG-CD1 4.5Å; M956-L960 WeakPolarHBondContact O-CG 3.45Å; M956-L960 PolarHBondContact O-N 3.47Å; L957-L960 HydrophobicContact CD2-CD1 4.26Å; L957-L960 PolarHBondContact O-N 2.93Å; L960-K962 VanDerWaalsContact C-N 3.31Å; L960-K962 PolarHBondContact O-N 2.64Å; L960-Q963 PolarHBondContact O-N 3.41Å; L960-V966 HydrophobicContact CB-CG2 4.13Å
961	A	68.8	Low	60.8	Low	56 Å²	56	83.2 Å²	83.2	46%	0.463	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-34.4	176.8	0	0	0	0	0	112.5	L957 E959 Q963 V966	L957-A961 WeakPolarHBondContact O-CB 3.47Å; L957-A961 PolarHBondContact O-N 3.33Å; E959-A961 VanDerWaalsContact C-N 3.34Å; E959-A961 PolarHBondContact O-N 3.36Å; A961-Q963 VanDerWaalsContact C-N 3.31Å; A961-Q963 PolarHBondContact O-N 3.19Å; A961-V966 HydrophobicContact CB-CG2 4.36Å
962	K	67.9	Low	60.1	Low	168 Å²	168	86.1 Å²	86.1	73%	0.73	45%	0.453	S	S	*	.	H	α-helix	trans	-71.2	-23.4	176.5	-76.2	170.1	-174.6	172.2	0	113.8	L958 E959 L960	L958-K962 VanDerWaalsContact O-CG 3.25Å; L958-K962 WeakPolarHBondContact O-CG 3.35Å; L958-K962 PolarHBondContact O-N 3.21Å; E959-K962 PolarHBondContact O-N 3.33Å; L960-K962 VanDerWaalsContact C-N 3.31Å; L960-K962 PolarHBondContact O-N 2.64Å
963	Q	64.7	Low	59.2	Low	100 Å²	100	90.2 Å²	90.2	47%	0.467	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10.3	-176.6	-70.8	176	-13.3	0	0	113.3	L671 E959 L960 A961 V965	L671-Q963 VanDerWaalsContact CD1-OE1 3.24Å; E959-Q963 WeakPolarHBondContact O-CG 3.46Å; E959-Q963 PolarHBondContact O-N 3.42Å; L960-Q963 PolarHBondContact O-N 3.41Å; A961-Q963 VanDerWaalsContact C-N 3.31Å; A961-Q963 PolarHBondContact O-N 3.19Å; Q963-V965 HydrophobicContact CB-CG2 4.01Å; Q963-V965 WeakPolarHBondContact O-CG2 3.41Å; Q963-V965 PolarHBondContact O-N 3.17Å
964	D	54.6	Low	58.5	Low	118 Å²	118	93.7 Å²	93.7	63%	0.631	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	11.8	-178.3	-82.1	-21.8	0	0	0	115	V966 L967	D964-V966 PolarHBondContact O-N 3.1Å; D964-L967 HydrophobicContact CB-CD1 4.3Å; D964-L967 PolarHBondContact O-N 3.18Å
965	V	53.7	Low	57.8	Low	52 Å²	52	91.8 Å²	91.8	32%	0.315	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-70	-21.5	179.3	-177.4	0	0	0	0	111.7	L671 Q963 L967 N968	L671-V965 HydrophobicContact CD1-CG2 4.09Å; Q963-V965 HydrophobicContact CB-CG2 4.01Å; Q963-V965 WeakPolarHBondContact O-CG2 3.41Å; Q963-V965 PolarHBondContact O-N 3.17Å; V965-L967 PolarHBondContact O-N 3.06Å; V965-N968 PolarHBondContact O-N 3.14Å
966	V	45.8	Very low	56.8	Low	64 Å²	64	94.2 Å²	94.2	39%	0.388	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-66.4	-15.6	177.9	-174.5	0	0	0	0	112.6	L960 A961 D964 N968 Y969	L960-V966 HydrophobicContact CB-CG2 4.13Å; A961-V966 HydrophobicContact CB-CG2 4.36Å; D964-V966 PolarHBondContact O-N 3.1Å; V966-N968 VanDerWaalsContact C-N 3.28Å; V966-N968 PolarHBondContact O-N 3.37Å; V966-Y969 CarbonylContact O-C 3.53Å; V966-Y969 PolarHBondContact O-N 2.81Å
967	L	39.9	Very low	55.6	Low	138 Å²	138	100.3 Å²	100.3	72%	0.723	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-73.9	-13.2	-179.9	-77.5	161.2	0	0	0	114.6	D964 V965	D964-L967 HydrophobicContact CB-CD1 4.3Å; D964-L967 PolarHBondContact O-N 3.18Å; V965-L967 PolarHBondContact O-N 3.06Å
968	N	42.3	Very low	54.2	Low	145 Å²	145	103.5 Å²	103.5	78%	0.775	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-98.8	-3.7	173.9	-79	-10.1	0	0	0	114	V965 V966	V965-N968 PolarHBondContact O-N 3.14Å; V966-N968 VanDerWaalsContact C-N 3.28Å; V966-N968 PolarHBondContact O-N 3.37Å
969	Y	41.2	Very low	52.7	Low	86 Å²	86	103.2 Å²	103.2	34%	0.337	54%	0.539	S	S	.	.	S	Bend	trans	-136	96.9	176.5	-76.4	-83.8	0	0	0	108.9	L911 I948 V966	L911-Y969 HydrophobicContact CB-CE1 4.25Å; L911-Y969 HydrophobicContact CD1-CE1 4.35Å; I948-Y969 HydrophobicContact CD1-CD1 3.88Å; I948-Y969 HydrophobicContact CD1-CD2 4.3Å; I948-Y969 HydrophobicContact CD1-CE1 4.43Å; I948-Y969 HydrophobicContact CD1-CG 3.8Å; V966-Y969 CarbonylContact O-C 3.53Å; V966-Y969 PolarHBondContact O-N 2.81Å
970	P	32.8	Very low	51.1	Low	97 Å²	97	105.2 Å²	105.2	63%	0.63	55%	0.553	S	S	*	*			trans	-67.1	137.4	177.2	26.2	-30.1	0	0	0	110.3
971	M	30.5	Very low	49.3	Very low	231 Å²	231	114.1 Å²	114.1	100%	1.138	60%	0.6	S	S	*	*			trans	-45.4	0	-174.2	-79.8	-153.7	-81.3	0	0	114.6

Retrieved 971 of 971 residues in 1750.6 ms (Link to these results)

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